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Glucose-induced degradation protein 8 homolog

Core component of the CTLH E3 ubiquitin-protein ligase complex that selectively accepts ubiquitin from UBE2H and mediates ubiquitination and subsequent proteasomal degradation of the transcription factor HBP11. Acts as a positive regulator of Wnt signaling pathway by promoting beta-catenin (CTNNB1) nuclear accumulation2.

AlphaFold DB , UniProt , Accession Q9NWU2, Species HUMAN (Homo sapiens, Human), Gene GID8, Length 228 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
1M41.1Very low59.4Low236 Ų236138.7 Ų138.7100%1.16373%0.725SS**  096.70-61.4-173.9-147.700106.7
2S41.7Very low62.2Low118 Ų118132.7 Ų132.783%0.82569%0.688SS**  trans-78.9121.3172.159.60000107.7A4S2-A4 PolarHBondContact O-N 3.12Å
3Y44.2Very low64.5Low224 Ų224131.8 Ų131.888%0.87869%0.685SS**  trans-61.6104167-76-100.1000107.3E5Y3-E5 PolarHBondContact O-N 3.3Å
4A46.9Very low66.5Low89 Ų89129 Ų12974%0.73667%0.667SS**  trans-69.5109.7160.700000105.8S2 K6S2-A4 PolarHBondContact O-N 3.12Å; A4-K6 PolarHBondContact O-N 3.33Å
5E50Low68.2Low188 Ų188126 Ų12688%0.87964%0.644SS**  trans-49.8113.2164-74.5173.516100106.9Y3Y3-E5 PolarHBondContact O-N 3.3Å
6K52.4Low69.7Low187 Ų187122 Ų12281%0.81362%0.623SS**  trans-60.6128.8170.1-78.5-177.5175.5-178.30105.7A4 D8A4-K6 PolarHBondContact O-N 3.33Å; K6-D8 PolarHBondContact O-N 3.5Å; K6-D8 VanDerWaalsContact O-N 3.12Å
7P57.1Low71.1Confident113 Ų113122.1 Ų122.173%0.73462%0.62SS**  trans-56.4124.4173.523.7-30.7000107.1E9P7-E9 PolarHBondContact O-N 2.68Å
8D63.2Low72.2Confident164 Ų164122.7 Ų122.788%0.87762%0.618SS**  trans-54.4103.8-179.1-76.3-36.2000108.9K6 I10K6-D8 PolarHBondContact O-N 3.5Å; K6-D8 VanDerWaalsContact O-N 3.12Å; D8-I10 PolarHBondContact O-N 3.49Å; D8-I10 VanDerWaalsContact O-N 3.11Å
9E78.6Confident73.1Confident115 Ų115119.6 Ų119.654%0.53760%0.603SS.*  trans-70.1104.1175.3-67.2-175.4176.900107P7 T11 K212P7-E9 PolarHBondContact O-N 2.68Å; E9-T11 PolarHBondContact O-N 3.31Å; E9-K212 VanDerWaalsContact CD-NZ 3.32Å; E9-K212 HydrophobicContact CG-CB 4.45Å; E9-K212 HydrophobicContact CG-CD 4.4Å; E9-K212 WeakPolarHBondContact OE1-CD 3.34Å; E9-K212 WeakPolarHBondContact OE1-CE 3.28Å; E9-K212 IonicContact OE1-NZ 2.74Å; E9-K212 PolarHBondContact OE1-NZ 3.4Å; E9-K212 IonicContact OE2-NZ 3.95Å; E9-K212 PolarHBondContact OE2-NZ 2.98Å; E9-K212 VanDerWaalsContact OE2-NZ 3.14Å
10I87.6Confident73.9Confident31 Ų31119.8 Ų119.816%0.15961%0.606CS.*  trans-70.8124.3177.8-171.4164.4000110.2D8 E14 W15 K18 P227D8-I10 PolarHBondContact O-N 3.49Å; D8-I10 VanDerWaalsContact O-N 3.11Å; I10-E14 HydrophobicContact CD1-CB 4.24Å; I10-E14 HydrophobicContact CG1-CB 3.74Å; I10-W15 HydrophobicContact CD1-CB 4.25Å; I10-W15 HydrophobicContact CD1-CE3 4.01Å; I10-W15 HydrophobicContact CG1-CB 4.31Å; I10-W15 HydrophobicContact CG2-CE3 3.89Å; I10-W15 HydrophobicContact CG2-CZ3 4.42Å; I10-K18 HydrophobicContact CD1-CD 3.86Å; I10-P227 WeakPolarHBondContact O-CG 3.49Å
11T91.1Very high74.8Confident61 Ų61119.8 Ų119.837%0.37461%0.608SS.*  trans-71.7159.7175.9610000111E9 D13 E14 W15E9-T11 PolarHBondContact O-N 3.31Å; T11-D13 PolarHBondContact O-N 3.02Å; T11-E14 PolarHBondContact N-OE2 3.07Å; T11-E14 PolarHBondContact O-N 3.17Å; T11-E14 WeakPolarHBondContact OG1-CB 3.47Å; T11-E14 VanDerWaalsContact OG1-CD 3.26Å; T11-E14 WeakPolarHBondContact OG1-CG 3.33Å; T11-E14 PolarHBondContact OG1-N 2.91Å; T11-E14 PolarHBondContact OG1-OE2 3.15Å; T11-W15 WeakPolarHBondContact O-CB 3.12Å; T11-W15 PolarHBondContact O-N 3.38Å
12K92.3Very high77.1Confident66 Ų66114.3 Ų114.329%0.28758%0.582SS.*Hα-helixtrans-57.2-40172.8178.4-179.7164.6172.80112.2W15 M16 P214 I224 E226K12-W15 WeakPolarHBondContact O-CB 3.5Å; K12-W15 PolarHBondContact O-N 2.92Å; K12-M16 HydrophobicContact CG-CG 4.15Å; K12-M16 WeakPolarHBondContact O-CB 3.41Å; K12-M16 VanDerWaalsContact O-CG 3.24Å; K12-M16 WeakPolarHBondContact O-CG 3.28Å; K12-M16 PolarHBondContact O-N 2.97Å; K12-P214 HydrophobicContact CB-CB 4.37Å; K12-P214 HydrophobicContact CB-CG 4.36Å; K12-I224 WeakPolarHBondContact CE-O 3.42Å; K12-I224 PolarHBondContact NZ-O 2.88Å; K12-E226 HydrophobicContact CB-CG 4.41Å; K12-E226 WeakPolarHBondContact CB-OE1 3.34Å; K12-E226 WeakPolarHBondContact CB-OE2 3.47Å; K12-E226 PolarHBondContact N-OE2 3.48Å; K12-E226 VanDerWaalsContact N-OE2 3.17Å
13D92.3Very high79.4Confident121 Ų121116.5 Ų116.565%0.64758%0.579SS**Hα-helixtrans-64.6-46.8-178.3-72.5-19.6000111.7T11 W15 M16 E17T11-D13 PolarHBondContact O-N 3.02Å; D13-W15 VanDerWaalsContact C-N 3.28Å; D13-W15 PolarHBondContact O-N 3.43Å; D13-M16 PolarHBondContact O-N 3.47Å; D13-E17 PolarHBondContact O-N 3.03Å
14E92Very high81.5Confident93 Ų93109.9 Ų109.944%0.43556%0.562SS.*Hα-helixtrans-61.7-37.3174.6-71.1166152.500111.9I10 T11 K18I10-E14 HydrophobicContact CD1-CB 4.24Å; I10-E14 HydrophobicContact CG1-CB 3.74Å; T11-E14 PolarHBondContact N-OE2 3.07Å; T11-E14 PolarHBondContact O-N 3.17Å; T11-E14 WeakPolarHBondContact OG1-CB 3.47Å; T11-E14 VanDerWaalsContact OG1-CD 3.26Å; T11-E14 WeakPolarHBondContact OG1-CG 3.33Å; T11-E14 PolarHBondContact OG1-N 2.91Å; T11-E14 PolarHBondContact OG1-OE2 3.15Å; E14-K18 WeakPolarHBondContact O-CG 3.18Å; E14-K18 PolarHBondContact O-N 3.38Å
15W91.9Very high83.7Confident84 Ų84111 Ų11132%0.31855%0.552SS.*Hα-helixtrans-66.3-45.1175.6-177.1-83.5000112I10 T11 K12 D13 E17 K18 L19 P214I10-W15 HydrophobicContact CD1-CB 4.25Å; I10-W15 HydrophobicContact CD1-CE3 4.01Å; I10-W15 HydrophobicContact CG1-CB 4.31Å; I10-W15 HydrophobicContact CG2-CE3 3.89Å; I10-W15 HydrophobicContact CG2-CZ3 4.42Å; T11-W15 WeakPolarHBondContact O-CB 3.12Å; T11-W15 PolarHBondContact O-N 3.38Å; K12-W15 WeakPolarHBondContact O-CB 3.5Å; K12-W15 PolarHBondContact O-N 2.92Å; D13-W15 VanDerWaalsContact C-N 3.28Å; D13-W15 PolarHBondContact O-N 3.43Å; W15-E17 VanDerWaalsContact C-N 3.34Å; W15-E17 PolarHBondContact O-N 3.34Å; W15-K18 PolarHBondContact O-N 3.47Å; W15-L19 VanDerWaalsContact CD1-CD1 3.5Å; W15-L19 VanDerWaalsContact NE1-CD1 3.33Å; W15-L19 WeakPolarHBondContact O-CG 3.37Å; W15-L19 PolarHBondContact O-N 2.8Å; W15-P214 HydrophobicContact CB-CB 4.16Å; W15-P214 HydrophobicContact CB-CG 3.64Å; W15-P214 HydrophobicContact CD2-CB 4.37Å; W15-P214 HydrophobicContact CD2-CG 4.21Å; W15-P214 HydrophobicContact CE3-CG 4.42Å; W15-P214 HydrophobicContact CG-CB 3.98Å; W15-P214 HydrophobicContact CG-CG 3.87Å
16M92.3Very high85.8Confident62 Ų62110.6 Ų110.631%0.30554%0.542SS..Hα-helixtrans-65.2-37177.1-71.3-57.6-61.900111.7K12 D13 L19 N20 I224K12-M16 HydrophobicContact CG-CG 4.15Å; K12-M16 WeakPolarHBondContact O-CB 3.41Å; K12-M16 VanDerWaalsContact O-CG 3.24Å; K12-M16 WeakPolarHBondContact O-CG 3.28Å; K12-M16 PolarHBondContact O-N 2.97Å; D13-M16 PolarHBondContact O-N 3.47Å; M16-L19 PolarHBondContact O-N 3.14Å; M16-L19 HydrophobicContact SD-CD1 4.06Å; M16-N20 WeakPolarHBondContact O-CB 3.36Å; M16-N20 PolarHBondContact O-N 2.74Å; M16-N20 PolarHBondContact O-ND2 3.32Å; M16-N20 VanDerWaalsContact O-ND2 3.17Å; M16-I224 HydrophobicContact SD-CD1 3.88Å
17E93.2Very high87.8Confident123 Ų123103.2 Ų103.258%0.57552%0.516SS*.Hα-helixtrans-61.1-48172.5-172.9-177176.200111D13 W15 L19 N20 N21D13-E17 PolarHBondContact O-N 3.03Å; W15-E17 VanDerWaalsContact C-N 3.34Å; W15-E17 PolarHBondContact O-N 3.34Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.31Å; E17-N20 PolarHBondContact O-N 2.85Å; E17-N21 WeakPolarHBondContact O-CB 3.42Å; E17-N21 VanDerWaalsContact O-CG 3.25Å; E17-N21 PolarHBondContact O-N 3.45Å; E17-N21 PolarHBondContact O-ND2 2.95Å; E17-N21 VanDerWaalsContact O-ND2 3.14Å
18K92Very high89.5Confident133 Ų133100.9 Ų100.958%0.57850%0.498SS*.Hα-helixtrans-58.7-45175.1-73.2-179.7-173.2-179.20111.8I10 E14 W15 N21 L22I10-K18 HydrophobicContact CD1-CD 3.86Å; E14-K18 WeakPolarHBondContact O-CG 3.18Å; E14-K18 PolarHBondContact O-N 3.38Å; W15-K18 PolarHBondContact O-N 3.47Å; K18-N21 PolarHBondContact O-N 2.92Å; K18-L22 PolarHBondContact O-N 2.83Å
19L89.7Confident91Very high65 Ų6597.3 Ų97.334%0.3448%0.477SS..Hα-helixtrans-62.5-44.1177.4-76.4-179000112.3W15 M16 E17 N21 L22 I224W15-L19 VanDerWaalsContact CD1-CD1 3.5Å; W15-L19 VanDerWaalsContact NE1-CD1 3.33Å; W15-L19 WeakPolarHBondContact O-CG 3.37Å; W15-L19 PolarHBondContact O-N 2.8Å; M16-L19 PolarHBondContact O-N 3.14Å; M16-L19 HydrophobicContact SD-CD1 4.06Å; E17-L19 VanDerWaalsContact C-N 3.34Å; E17-L19 PolarHBondContact O-N 3.31Å; L19-N21 PolarHBondContact O-N 3Å; L19-L22 HydrophobicContact CD2-CD1 4.06Å; L19-L22 WeakPolarHBondContact O-CB 3.33Å; L19-L22 PolarHBondContact O-N 3.18Å; L19-I224 HydrophobicContact CD1-CD1 3.74Å
20N88.9Confident91.9Very high122 Ų12292.7 Ų92.765%0.65246%0.456SS*.Hα-helixtrans-66-27.6179.4-71.9-25.9000112.4M16 E17 L22M16-N20 WeakPolarHBondContact O-CB 3.36Å; M16-N20 PolarHBondContact O-N 2.74Å; M16-N20 PolarHBondContact O-ND2 3.32Å; M16-N20 VanDerWaalsContact O-ND2 3.17Å; E17-N20 PolarHBondContact O-N 2.85Å; N20-L22 VanDerWaalsContact C-N 3.29Å
21N91.6Very high92.3Very high121 Ų12197.5 Ų97.565%0.64747%0.472SS*.THydrogen-bonded Turntrans-77.9-12.1174.1-70.2-29.8000113.2E17 K18 L19 H23E17-N21 WeakPolarHBondContact O-CB 3.42Å; E17-N21 VanDerWaalsContact O-CG 3.25Å; E17-N21 PolarHBondContact O-N 3.45Å; E17-N21 PolarHBondContact O-ND2 2.95Å; E17-N21 VanDerWaalsContact O-ND2 3.14Å; K18-N21 PolarHBondContact O-N 2.92Å; L19-N21 PolarHBondContact O-N 3Å; N21-H23 PolarHBondContact O-N 3.39Å
22L90.8Very high92.6Very high120 Ų12096.9 Ų96.963%0.62847%0.466SS*.  trans-77.1110.2172.5-64.4174.4000109.8K18 L19 N20 V24K18-L22 PolarHBondContact O-N 2.83Å; L19-L22 HydrophobicContact CD2-CD1 4.06Å; L19-L22 WeakPolarHBondContact O-CB 3.33Å; L19-L22 PolarHBondContact O-N 3.18Å; N20-L22 VanDerWaalsContact C-N 3.29Å; L22-V24 PolarHBondContact O-N 3.06Å
23H88.6Confident92.8Very high164 Ų16497 Ų9776%0.75947%0.469SS*.  trans-85.7108.1174.2-172.671.8000111N21N21-H23 PolarHBondContact O-N 3.39Å
24V89Confident93Very high85 Ų8591.5 Ų91.552%0.51544%0.439SS..  trans-92.1121.4168.1-175.10000108.6L22 R26 D28 M29L22-V24 PolarHBondContact O-N 3.06Å; V24-R26 PolarHBondContact O-N 3.42Å; V24-D28 HydrophobicContact CG1-CB 4.45Å; V24-M29 HydrophobicContact CG1-CG 3.74Å
25Q92.8Very high93.2Very high113 Ų11387.6 Ų87.653%0.52842%0.422SS..  trans-65.5139.1179.4-58.5-173.6900110.2A27 D28 M29Q25-A27 PolarHBondContact O-N 3.46Å; Q25-A27 VanDerWaalsContact O-N 3.14Å; Q25-D28 PolarHBondContact O-N 3.41Å; Q25-M29 PolarHBondContact O-N 3.23Å
26R93.8Very high93.5Very high179 Ų17987.9 Ų87.968%0.67542%0.423SS*.Hα-helixtrans-54.3-35.7176-173.8178.4178.4-138.7-1.3112.5V24 D28 M29 N30V24-R26 PolarHBondContact O-N 3.42Å; R26-D28 VanDerWaalsContact C-N 3.31Å; R26-D28 PolarHBondContact O-N 3.42Å; R26-M29 HydrophobicContact CB-CE 4.28Å; R26-M29 HydrophobicContact CG-CE 4.49Å; R26-M29 PolarHBondContact O-N 2.88Å; R26-N30 WeakPolarHBondContact O-CB 3.39Å; R26-N30 PolarHBondContact O-N 3.45Å; R26-N30 PolarHBondContact O-OD1 3.21Å
27A94.1Very high93.6Very high32 Ų3286 Ų8626%0.26441%0.414SS..Hα-helixtrans-61-37.9176.400000112.5Q25 N30 R31Q25-A27 PolarHBondContact O-N 3.46Å; Q25-A27 VanDerWaalsContact O-N 3.14Å; A27-N30 PolarHBondContact O-N 2.85Å; A27-R31 VanDerWaalsContact O-CG 3.29Å; A27-R31 WeakPolarHBondContact O-CG 3.33Å; A27-R31 PolarHBondContact O-N 2.99Å
28D94Very high93.7Very high65 Ų6580.4 Ų80.435%0.34839%0.389SS..Hα-helixtrans-72-40.7179.2-62.9-36.8000111.7V24 Q25 R26 N30 R31 L32V24-D28 HydrophobicContact CG1-CB 4.45Å; Q25-D28 PolarHBondContact O-N 3.41Å; R26-D28 VanDerWaalsContact C-N 3.31Å; R26-D28 PolarHBondContact O-N 3.42Å; D28-N30 VanDerWaalsContact C-N 3.32Å; D28-N30 PolarHBondContact O-N 3.2Å; D28-R31 PolarHBondContact O-N 2.87Å; D28-R31 IonicContact OD1-CZ 2.75Å; D28-R31 IonicContact OD1-NH1 3.91Å; D28-R31 PolarHBondContact OD1-NH1 3.38Å; D28-L32 WeakPolarHBondContact O-CG 3.37Å; D28-L32 PolarHBondContact O-N 2.89Å
29M94.9Very high93.8Very high88 Ų8874.4 Ų74.443%0.43336%0.363SS..Hα-helixtrans-59.3-45.5171.4-65.7-171.4-71.600111.1V24 Q25 R26 R31 L32 I33V24-M29 HydrophobicContact CG1-CG 3.74Å; Q25-M29 PolarHBondContact O-N 3.23Å; R26-M29 HydrophobicContact CB-CE 4.28Å; R26-M29 HydrophobicContact CG-CE 4.49Å; R26-M29 PolarHBondContact O-N 2.88Å; M29-R31 VanDerWaalsContact C-N 3.32Å; M29-R31 PolarHBondContact O-N 3.48Å; M29-L32 WeakPolarHBondContact O-CB 3.49Å; M29-L32 PolarHBondContact O-N 3.49Å; M29-L32 VanDerWaalsContact O-N 3.16Å; M29-I33 WeakPolarHBondContact O-CG1 3.49Å; M29-I33 PolarHBondContact O-N 3.46Å
30N97Very high94Very high19 Ų1972.9 Ų72.910%0.10235%0.354CS..Hα-helixtrans-63.3-37.8178.3-67.5-11.5000111.9R26 A27 D28 L32 I33 M34 F49 I55R26-N30 WeakPolarHBondContact O-CB 3.39Å; R26-N30 PolarHBondContact O-N 3.45Å; R26-N30 PolarHBondContact O-OD1 3.21Å; A27-N30 PolarHBondContact O-N 2.85Å; D28-N30 VanDerWaalsContact C-N 3.32Å; D28-N30 PolarHBondContact O-N 3.2Å; N30-L32 VanDerWaalsContact C-N 3.35Å; N30-L32 PolarHBondContact O-N 3.29Å; N30-I33 PolarHBondContact O-N 3.31Å; N30-M34 WeakPolarHBondContact O-CB 3.45Å; N30-M34 PolarHBondContact O-N 2.99Å; N30-F49 HydrophobicContact CB-CE1 3.97Å; N30-F49 HydrophobicContact CB-CZ 3.8Å; N30-F49 VanDerWaalsContact O-CE1 3.27Å; N30-F49 WeakPolarHBondContact O-CE1 3.47Å; N30-I55 HydrophobicContact CB-CD1 4.38Å; N30-I55 HydrophobicContact CB-CG1 3.54Å
31R96.4Very high94.2Very high131 Ų13167.2 Ų67.249%0.49433%0.325SS..Hα-helixtrans-63.2-38.5173.8-73.6171.6-172124.42.3112.6A27 D28 M29 N35 I55A27-R31 VanDerWaalsContact O-CG 3.29Å; A27-R31 WeakPolarHBondContact O-CG 3.33Å; A27-R31 PolarHBondContact O-N 2.99Å; D28-R31 PolarHBondContact O-N 2.87Å; D28-R31 IonicContact OD1-CZ 2.75Å; D28-R31 IonicContact OD1-NH1 3.91Å; D28-R31 PolarHBondContact OD1-NH1 3.38Å; M29-R31 VanDerWaalsContact C-N 3.32Å; M29-R31 PolarHBondContact O-N 3.48Å; R31-N35 VanDerWaalsContact O-CB 3.25Å; R31-N35 WeakPolarHBondContact O-CB 3.35Å; R31-N35 PolarHBondContact O-N 3.15Å; R31-I55 HydrophobicContact CG-CD1 4.26Å; R31-I55 HydrophobicContact CG-CG2 4.04Å
32L96.1Very high94.3Very high48 Ų4864.5 Ų64.525%0.25131%0.307SS..Hα-helixtrans-65.4-42.6175.4-71.1173.7000111.6D28 M29 N30 N35 Y36 K191 L195D28-L32 WeakPolarHBondContact O-CG 3.37Å; D28-L32 PolarHBondContact O-N 2.89Å; M29-L32 WeakPolarHBondContact O-CB 3.49Å; M29-L32 PolarHBondContact O-N 3.49Å; M29-L32 VanDerWaalsContact O-N 3.16Å; N30-L32 VanDerWaalsContact C-N 3.35Å; N30-L32 PolarHBondContact O-N 3.29Å; L32-N35 PolarHBondContact O-N 3.01Å; L32-Y36 PolarHBondContact O-N 2.79Å; L32-K191 HydrophobicContact CD2-CB 3.6Å; L32-K191 HydrophobicContact CD2-CD 4.39Å; L32-L195 HydrophobicContact CD1-CD1 3.97Å; L32-L195 HydrophobicContact CD2-CD1 4.14Å
33I96.8Very high94.5Very high70 Ų7060.1 Ų60.136%0.35928%0.283SS..Hα-helixtrans-63.5-49.3176.1-64.6166.1000110.1M29 N30 N35 Y36 L37 F49M29-I33 WeakPolarHBondContact O-CG1 3.49Å; M29-I33 PolarHBondContact O-N 3.46Å; N30-I33 PolarHBondContact O-N 3.31Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 3.44Å; I33-Y36 WeakPolarHBondContact O-CB 3.33Å; I33-Y36 PolarHBondContact O-N 3.5Å; I33-Y36 VanDerWaalsContact O-N 3.13Å; I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.06Å; I33-F49 HydrophobicContact CB-CE1 4.05Å; I33-F49 HydrophobicContact CB-CE2 4.22Å; I33-F49 HydrophobicContact CB-CZ 3.75Å; I33-F49 HydrophobicContact CD1-CE2 4.15Å; I33-F49 HydrophobicContact CD1-CZ 4.01Å; I33-F49 HydrophobicContact CG1-CZ 4.49Å; I33-F49 HydrophobicContact CG2-CD1 4.26Å; I33-F49 HydrophobicContact CG2-CD2 3.99Å; I33-F49 HydrophobicContact CG2-CE1 3.97Å; I33-F49 HydrophobicContact CG2-CE2 3.67Å; I33-F49 HydrophobicContact CG2-CG 4.27Å; I33-F49 HydrophobicContact CG2-CZ 3.67Å
34M97.5Very high94.8Very high4 Ų459 Ų592%0.0228%0.278CS..Hα-helixtrans-57.7-45.9177.3-177.858.683.900111.7N30 Y36 L37 V38 A46 F49 R50 I55 P57N30-M34 WeakPolarHBondContact O-CB 3.45Å; N30-M34 PolarHBondContact O-N 2.99Å; M34-Y36 VanDerWaalsContact C-N 3.32Å; M34-Y36 PolarHBondContact O-N 3.37Å; M34-L37 PolarHBondContact O-N 3.16Å; M34-V38 HydrophobicContact CG-CG2 4.4Å; M34-V38 WeakPolarHBondContact O-CB 3.39Å; M34-V38 WeakPolarHBondContact O-CG2 3.24Å; M34-V38 PolarHBondContact O-N 2.88Å; M34-V38 HydrophobicContact SD-CG2 3.99Å; M34-A46 WeakPolarHBondContact CE-O 3.31Å; M34-A46 HydrophobicContact SD-CB 3.99Å; M34-F49 HydrophobicContact CB-CD1 4.25Å; M34-F49 HydrophobicContact CB-CE1 4.25Å; M34-F49 HydrophobicContact CE-CD1 3.83Å; M34-R50 HydrophobicContact CE-CB 3.68Å; M34-I55 HydrophobicContact CB-CG2 3.96Å; M34-I55 WeakPolarHBondContact CE-O 3.45Å; M34-I55 HydrophobicContact CG-CG2 4.14Å; M34-P57 HydrophobicContact CG-CB 4.28Å; M34-P57 HydrophobicContact SD-CB 4.01Å
35N96.6Very high95.2Very high12 Ų1257 Ų576%0.06427%0.27CS..Hα-helixtrans-58.1-43.6175.8173.2-104.1000111.8R31 L32 I33 T39 E187 K191R31-N35 VanDerWaalsContact O-CB 3.25Å; R31-N35 WeakPolarHBondContact O-CB 3.35Å; R31-N35 PolarHBondContact O-N 3.15Å; L32-N35 PolarHBondContact O-N 3.01Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 3.44Å; N35-T39 VanDerWaalsContact O-CB 3.23Å; N35-T39 WeakPolarHBondContact O-CB 3.43Å; N35-T39 PolarHBondContact O-N 3.33Å; N35-T39 PolarHBondContact O-OG1 3.17Å; N35-E187 PolarHBondContact ND2-OE2 2.89Å; N35-K191 WeakPolarHBondContact OD1-CB 3.41Å; N35-K191 WeakPolarHBondContact OD1-CG 3.44Å; N35-K191 PolarHBondContact OD1-N 3.1Å
36Y96.3Very high95.4Very high89 Ų8951.6 Ų51.635%0.34925%0.245SC..Hα-helixtrans-61.5-49.6176.3179.1-91.5000111.9L32 I33 M34 V38 T39 E40 F42 P190L32-Y36 PolarHBondContact O-N 2.79Å; I33-Y36 WeakPolarHBondContact O-CB 3.33Å; I33-Y36 PolarHBondContact O-N 3.5Å; I33-Y36 VanDerWaalsContact O-N 3.13Å; M34-Y36 VanDerWaalsContact C-N 3.32Å; M34-Y36 PolarHBondContact O-N 3.37Å; Y36-V38 VanDerWaalsContact C-N 3.34Å; Y36-V38 PolarHBondContact O-N 3.17Å; Y36-T39 PolarHBondContact O-N 2.96Å; Y36-E40 HydrophobicContact CD1-CG 4.36Å; Y36-E40 HydrophobicContact CD2-CG 4.1Å; Y36-E40 HydrophobicContact CE1-CG 4.04Å; Y36-E40 HydrophobicContact CE2-CG 3.77Å; Y36-E40 HydrophobicContact CG-CG 4.38Å; Y36-E40 WeakPolarHBondContact O-CB 3.38Å; Y36-E40 WeakPolarHBondContact O-CG 3.33Å; Y36-E40 PolarHBondContact O-N 2.87Å; Y36-F42 HydrophobicContact CE1-CD2 4.23Å; Y36-F42 AromaticContact CE1-CE2 3.87Å; Y36-F42 HydrophobicContact CE1-CE2 3.87Å; Y36-P190 HydrophobicContact CD2-CB 3.71Å; Y36-P190 HydrophobicContact CD2-CG 3.84Å; Y36-P190 HydrophobicContact CE2-CG 4.29Å; Y36-P190 HydrophobicContact CG-CB 4.48Å
37L96.1Very high95.6Very high23 Ų2345.6 Ų45.612%0.1223%0.225CC..Hα-helixtrans-60.3-43.3-178.7-64.8174.4000112I33 M34 G41 F42 A45 A46 F49I33-L37 HydrophobicContact CG2-CD1 3.98Å; I33-L37 HydrophobicContact CG2-CG 4.32Å; I33-L37 WeakPolarHBondContact O-CG 3.44Å; I33-L37 PolarHBondContact O-N 3.06Å; M34-L37 PolarHBondContact O-N 3.16Å; L37-G41 PolarHBondContact O-N 3.12Å; L37-G41 VanDerWaalsContact O-N 3.12Å; L37-F42 HydrophobicContact CB-CB 4.37Å; L37-F42 HydrophobicContact CD2-CB 3.95Å; L37-F42 HydrophobicContact CD2-CD2 4.03Å; L37-F42 HydrophobicContact CD2-CG 4.38Å; L37-F42 PolarHBondContact O-N 3.42Å; L37-A45 HydrophobicContact CD1-CB 4.2Å; L37-A45 HydrophobicContact CD2-CB 3.82Å; L37-A46 HydrophobicContact CB-CB 3.96Å; L37-F49 HydrophobicContact CD1-CB 3.83Å; L37-F49 HydrophobicContact CD1-CD1 4.47Å; L37-F49 HydrophobicContact CD1-CG 4.07Å
38V95.6Very high95.8Very high6 Ų650.1 Ų50.14%0.03624%0.239CC..Hα-helixtrans-67.6-46.3177.7170.90000111.7M34 Y36 E40 G41 A46 P57 V59 L61 L64 R67M34-V38 HydrophobicContact CG-CG2 4.4Å; M34-V38 WeakPolarHBondContact O-CB 3.39Å; M34-V38 WeakPolarHBondContact O-CG2 3.24Å; M34-V38 PolarHBondContact O-N 2.88Å; M34-V38 HydrophobicContact SD-CG2 3.99Å; Y36-V38 VanDerWaalsContact C-N 3.34Å; Y36-V38 PolarHBondContact O-N 3.17Å; V38-E40 VanDerWaalsContact C-N 3.33Å; V38-E40 PolarHBondContact O-N 3.38Å; V38-G41 PolarHBondContact O-N 3.17Å; V38-G41 VanDerWaalsContact O-N 3.15Å; V38-A46 HydrophobicContact CG2-CB 4.32Å; V38-P57 HydrophobicContact CG2-CB 3.76Å; V38-V59 HydrophobicContact CG1-CG2 3.53Å; V38-L61 HydrophobicContact CG2-CD2 3.9Å; V38-L64 HydrophobicContact CG1-CD2 4.45Å; V38-L64 WeakPolarHBondContact O-CD2 3.44Å; V38-R67 PolarHBondContact O-NH1 3.5Å
39T94.2Very high95.9Very high6 Ų648.7 Ų48.74%0.03723%0.23CC..Hα-helixtrans-65.4-37.8-178-53.70000111.4N35 Y36 G41 R67 N177 L181 E187 P190N35-T39 VanDerWaalsContact O-CB 3.23Å; N35-T39 WeakPolarHBondContact O-CB 3.43Å; N35-T39 PolarHBondContact O-N 3.33Å; N35-T39 PolarHBondContact O-OG1 3.17Å; Y36-T39 PolarHBondContact O-N 2.96Å; T39-G41 VanDerWaalsContact C-N 3.31Å; T39-G41 PolarHBondContact O-N 3.25Å; T39-R67 PolarHBondContact O-NH2 3.27Å; T39-N177 PolarHBondContact O-ND2 3.39Å; T39-L181 HydrophobicContact CG2-CD1 3.96Å; T39-L181 WeakPolarHBondContact O-CD1 3.49Å; T39-E187 WeakPolarHBondContact CG2-O 3.25Å; T39-P190 HydrophobicContact CG2-CB 4.5Å; T39-P190 HydrophobicContact CG2-CG 3.75Å
40E92.2Very high96Very high33 Ų3348.6 Ų48.615%0.15422%0.224CC..THydrogen-bonded Turntrans-83.5-4.3176.8-65.3-60128.300113.9Y36 V38 F42 R71 P190Y36-E40 HydrophobicContact CD1-CG 4.36Å; Y36-E40 HydrophobicContact CD2-CG 4.1Å; Y36-E40 HydrophobicContact CE1-CG 4.04Å; Y36-E40 HydrophobicContact CE2-CG 3.77Å; Y36-E40 HydrophobicContact CG-CG 4.38Å; Y36-E40 WeakPolarHBondContact O-CB 3.38Å; Y36-E40 WeakPolarHBondContact O-CG 3.33Å; Y36-E40 PolarHBondContact O-N 2.87Å; V38-E40 VanDerWaalsContact C-N 3.33Å; V38-E40 PolarHBondContact O-N 3.38Å; E40-F42 HydrophobicContact CB-CD2 3.47Å; E40-F42 VanDerWaalsContact CB-CD2 3.47Å; E40-F42 HydrophobicContact CB-CE2 3.34Å; E40-F42 HydrophobicContact CB-CG 4.4Å; E40-F42 HydrophobicContact CB-CZ 4.22Å; E40-F42 HydrophobicContact CG-CD2 4.43Å; E40-F42 HydrophobicContact CG-CE2 4.02Å; E40-R71 PolarHBondContact O-NH1 2.96Å; E40-P190 HydrophobicContact CG-CG 4.17Å; E40-P190 VanDerWaalsContact OE1-CG 3.28Å; E40-P190 WeakPolarHBondContact OE1-CG 3.44Å
41G93Very high96Very high3 Ų354.7 Ų54.73%0.03125%0.254CS..THydrogen-bonded Turntrans76.725.5176.100000114.2L37 V38 T39 K43 R67 I68L37-G41 PolarHBondContact O-N 3.12Å; L37-G41 VanDerWaalsContact O-N 3.12Å; V38-G41 PolarHBondContact O-N 3.17Å; V38-G41 VanDerWaalsContact O-N 3.15Å; T39-G41 VanDerWaalsContact C-N 3.31Å; T39-G41 PolarHBondContact O-N 3.25Å; G41-K43 VanDerWaalsContact C-N 3.3Å; G41-K43 PolarHBondContact O-N 2.95Å; G41-K43 VanDerWaalsContact O-N 3.09Å; G41-R67 VanDerWaalsContact N-NH2 3.13Å; G41-I68 WeakPolarHBondContact O-CG1 3.38Å
42F93.8Very high96Very high65 Ų6556.1 Ų56.129%0.28527%0.266SS..  trans-83.467.3176.1-62.4-58.4000111.5Y36 L37 E40 E44 A45 A46Y36-F42 HydrophobicContact CE1-CD2 4.23Å; Y36-F42 AromaticContact CE1-CE2 3.87Å; Y36-F42 HydrophobicContact CE1-CE2 3.87Å; L37-F42 HydrophobicContact CB-CB 4.37Å; L37-F42 HydrophobicContact CD2-CB 3.95Å; L37-F42 HydrophobicContact CD2-CD2 4.03Å; L37-F42 HydrophobicContact CD2-CG 4.38Å; L37-F42 PolarHBondContact O-N 3.42Å; E40-F42 HydrophobicContact CB-CD2 3.47Å; E40-F42 VanDerWaalsContact CB-CD2 3.47Å; E40-F42 HydrophobicContact CB-CE2 3.34Å; E40-F42 HydrophobicContact CB-CG 4.4Å; E40-F42 HydrophobicContact CB-CZ 4.22Å; E40-F42 HydrophobicContact CG-CD2 4.43Å; E40-F42 HydrophobicContact CG-CE2 4.02Å; F42-E44 PolarHBondContact O-N 3.15Å; F42-A45 HydrophobicContact CB-CB 4.07Å; F42-A45 PolarHBondContact O-N 3.28Å; F42-A46 WeakPolarHBondContact O-CB 3.36Å; F42-A46 PolarHBondContact O-N 3.22Å
43K95.7Very high96Very high27 Ų2755 Ų5512%0.11726%0.262CS..Hα-helixtrans-52.1-56.5-174.8178.9177.5-174.4-1770113.3G41 A45 A46 E47 L61 E62 L64 D65 I68G41-K43 VanDerWaalsContact C-N 3.3Å; G41-K43 PolarHBondContact O-N 2.95Å; G41-K43 VanDerWaalsContact O-N 3.09Å; K43-A45 VanDerWaalsContact C-N 3.26Å; K43-A45 PolarHBondContact O-N 3.37Å; K43-A46 WeakPolarHBondContact O-CB 3.43Å; K43-A46 PolarHBondContact O-N 2.87Å; K43-E47 VanDerWaalsContact CE-OE1 3.22Å; K43-E47 WeakPolarHBondContact CE-OE1 3.44Å; K43-E47 HydrophobicContact CG-CG 4.44Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.95Å; K43-L61 HydrophobicContact CG-CB 4.37Å; K43-E62 VanDerWaalsContact CE-OE1 3.28Å; K43-E62 WeakPolarHBondContact CE-OE1 3.13Å; K43-E62 IonicContact NZ-OE1 3.82Å; K43-E62 PolarHBondContact NZ-OE1 3.23Å; K43-E62 IonicContact NZ-OE2 3.36Å; K43-E62 PolarHBondContact NZ-OE2 3.16Å; K43-L64 HydrophobicContact CB-CB 4.35Å; K43-L64 HydrophobicContact CB-CD1 4.01Å; K43-L64 HydrophobicContact CG-CD1 4.5Å; K43-D65 WeakPolarHBondContact CD-OD1 3.46Å; K43-D65 WeakPolarHBondContact CE-OD1 3.48Å; K43-D65 VanDerWaalsContact NZ-CG 3.35Å; K43-D65 IonicContact NZ-OD1 2.76Å; K43-D65 PolarHBondContact NZ-OD1 2.96Å; K43-D65 IonicContact NZ-OD2 3.65Å; K43-D65 PolarHBondContact NZ-OD2 3.07Å; K43-I68 HydrophobicContact CB-CD1 3.46Å; K43-I68 VanDerWaalsContact CB-CD1 3.46Å; K43-I68 HydrophobicContact CD-CD1 4.17Å; K43-I68 HydrophobicContact CG-CD1 4.43Å
44E95.4Very high96Very high140 Ų14054.4 Ų54.465%0.65427%0.274SS*.Hα-helixtrans-58.4-38.8-177.8-63.4-176-175.700112.8F42 K48F42-E44 PolarHBondContact O-N 3.15Å; E44-K48 WeakPolarHBondContact O-CG 3.42Å; E44-K48 PolarHBondContact O-N 2.79Å; E44-K48 VanDerWaalsContact O-N 3.11Å
45A97Very high95.9Very high43 Ų4355.4 Ų55.436%0.35528%0.279SS..Hα-helixtrans-69.5-41.4177.200000110.9L37 F42 K43 E47 F49L37-A45 HydrophobicContact CD1-CB 4.2Å; L37-A45 HydrophobicContact CD2-CB 3.82Å; F42-A45 HydrophobicContact CB-CB 4.07Å; F42-A45 PolarHBondContact O-N 3.28Å; K43-A45 VanDerWaalsContact C-N 3.26Å; K43-A45 PolarHBondContact O-N 3.37Å; A45-E47 VanDerWaalsContact C-N 3.34Å; A45-E47 PolarHBondContact O-N 3.27Å; A45-F49 WeakPolarHBondContact O-CB 3.5Å; A45-F49 PolarHBondContact O-N 3.48Å
46A97.4Very high95.9Very high0 Ų061 Ų610%031%0.305CS..Hα-helixtrans-62.1-40.7175.400000111.7M34 L37 V38 F42 K43 F49 R50 L61M34-A46 WeakPolarHBondContact CE-O 3.31Å; M34-A46 HydrophobicContact SD-CB 3.99Å; L37-A46 HydrophobicContact CB-CB 3.96Å; V38-A46 HydrophobicContact CG2-CB 4.32Å; F42-A46 WeakPolarHBondContact O-CB 3.36Å; F42-A46 PolarHBondContact O-N 3.22Å; K43-A46 WeakPolarHBondContact O-CB 3.43Å; K43-A46 PolarHBondContact O-N 2.87Å; A46-F49 PolarHBondContact O-N 3.25Å; A46-R50 WeakPolarHBondContact O-CB 3.29Å; A46-R50 PolarHBondContact O-N 3.27Å; A46-L61 HydrophobicContact CB-CD1 4.31Å; A46-L61 HydrophobicContact CB-CD2 3.94Å
47E97.3Very high95.8Very high54 Ų5457.7 Ų57.725%0.25229%0.294SS..Hα-helixtrans-63.2-50.8177-72174.8169.600112.2K43 A45 F49 R50 M51 L61K43-E47 VanDerWaalsContact CE-OE1 3.22Å; K43-E47 WeakPolarHBondContact CE-OE1 3.44Å; K43-E47 HydrophobicContact CG-CG 4.44Å; K43-E47 WeakPolarHBondContact O-CG 3.41Å; K43-E47 PolarHBondContact O-N 2.95Å; A45-E47 VanDerWaalsContact C-N 3.34Å; A45-E47 PolarHBondContact O-N 3.27Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.1Å; E47-R50 WeakPolarHBondContact O-CB 3.29Å; E47-R50 PolarHBondContact O-N 3.08Å; E47-M51 WeakPolarHBondContact O-CG 3.49Å; E47-M51 PolarHBondContact O-N 3.35Å; E47-M51 VanDerWaalsContact O-N 3.1Å; E47-L61 HydrophobicContact CB-CD1 4.42Å; E47-L61 HydrophobicContact CG-CD1 3.5Å
48K97.7Very high95.6Very high127 Ų12761.2 Ų61.255%0.55232%0.321SS*.Hα-helixtrans-61.4-43.9176.5-71175.4-175.9169.50110.8E44 R50 M51 E52E44-K48 WeakPolarHBondContact O-CG 3.42Å; E44-K48 PolarHBondContact O-N 2.79Å; E44-K48 VanDerWaalsContact O-N 3.11Å; K48-R50 VanDerWaalsContact C-N 3.33Å; K48-R50 PolarHBondContact O-N 3.28Å; K48-M51 PolarHBondContact O-N 2.96Å; K48-E52 PolarHBondContact O-N 3.48Å
49F97.7Very high95.4Very high35 Ų3562.9 Ų62.915%0.15433%0.331CS..Hα-helixtrans-63.6-37.4178.2-169.6-98.3000112.2N30 I33 M34 L37 A45 A46 E47 E52 S53N30-F49 HydrophobicContact CB-CE1 3.97Å; N30-F49 HydrophobicContact CB-CZ 3.8Å; N30-F49 VanDerWaalsContact O-CE1 3.27Å; N30-F49 WeakPolarHBondContact O-CE1 3.47Å; I33-F49 HydrophobicContact CB-CE1 4.05Å; I33-F49 HydrophobicContact CB-CE2 4.22Å; I33-F49 HydrophobicContact CB-CZ 3.75Å; I33-F49 HydrophobicContact CD1-CE2 4.15Å; I33-F49 HydrophobicContact CD1-CZ 4.01Å; I33-F49 HydrophobicContact CG1-CZ 4.49Å; I33-F49 HydrophobicContact CG2-CD1 4.26Å; I33-F49 HydrophobicContact CG2-CD2 3.99Å; I33-F49 HydrophobicContact CG2-CE1 3.97Å; I33-F49 HydrophobicContact CG2-CE2 3.67Å; I33-F49 HydrophobicContact CG2-CG 4.27Å; I33-F49 HydrophobicContact CG2-CZ 3.67Å; M34-F49 HydrophobicContact CB-CD1 4.25Å; M34-F49 HydrophobicContact CB-CE1 4.25Å; M34-F49 HydrophobicContact CE-CD1 3.83Å; L37-F49 HydrophobicContact CD1-CB 3.83Å; L37-F49 HydrophobicContact CD1-CD1 4.47Å; L37-F49 HydrophobicContact CD1-CG 4.07Å; A45-F49 WeakPolarHBondContact O-CB 3.5Å; A45-F49 PolarHBondContact O-N 3.48Å; A46-F49 PolarHBondContact O-N 3.25Å; E47-F49 VanDerWaalsContact C-N 3.32Å; E47-F49 PolarHBondContact O-N 3.1Å; F49-E52 PolarHBondContact O-N 3.28Å; F49-S53 WeakPolarHBondContact CE1-OG 3.49Å; F49-S53 WeakPolarHBondContact O-CB 3.38Å; F49-S53 PolarHBondContact O-N 3.14Å; F49-S53 PolarHBondContact O-OG 3.15Å
50R97.1Very high95.4Very high86 Ų8667.6 Ų67.633%0.32536%0.356SS..Hα-helixtrans-59.3-48.2172.5178.1-178.363.7172.1-2.8110.9M34 A46 E47 K48 E52 G54 E56M34-R50 HydrophobicContact CE-CB 3.68Å; A46-R50 WeakPolarHBondContact O-CB 3.29Å; A46-R50 PolarHBondContact O-N 3.27Å; E47-R50 WeakPolarHBondContact O-CB 3.29Å; E47-R50 PolarHBondContact O-N 3.08Å; K48-R50 VanDerWaalsContact C-N 3.33Å; K48-R50 PolarHBondContact O-N 3.28Å; R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 3.21Å; R50-G54 WeakPolarHBondContact O-CA 3.44Å; R50-G54 PolarHBondContact O-N 2.66Å; R50-E56 VanDerWaalsContact CD-OE2 3.3Å; R50-E56 WeakPolarHBondContact CD-OE2 3.15Å; R50-E56 IonicContact NH1-OE2 2.74Å
51M96.9Very high95.4Very high146 Ų14666.3 Ų66.372%0.71935%0.35SS*.Hα-helixtrans-61.3-40.1-179.9-64.9178.5-161.100112.4E47 K48E47-M51 WeakPolarHBondContact O-CG 3.49Å; E47-M51 PolarHBondContact O-N 3.35Å; E47-M51 VanDerWaalsContact O-N 3.1Å; K48-M51 PolarHBondContact O-N 2.96Å
52E96.5Very high95.4Very high161 Ų16171 Ų7175%0.75237%0.371SS*.Hα-helixtrans-80.3-37.7-178.5-69.7-178-176.200113.8K48 F49 R50K48-E52 PolarHBondContact O-N 3.48Å; F49-E52 PolarHBondContact O-N 3.28Å; R50-E52 VanDerWaalsContact C-N 3.33Å; R50-E52 PolarHBondContact O-N 3.21Å
53S95.9Very high95.3Very high25 Ų2570 Ų7018%0.17537%0.37CS..Hα-helixtrans-95.5-19.9-172.871.70000114.3F49 I55F49-S53 WeakPolarHBondContact CE1-OG 3.49Å; F49-S53 WeakPolarHBondContact O-CB 3.38Å; F49-S53 PolarHBondContact O-N 3.14Å; F49-S53 PolarHBondContact O-OG 3.15Å; S53-I55 PolarHBondContact O-N 3.33Å; S53-I55 PolarHBondContact OG-N 3.04Å
54G95.8Very high95.2Very high58 Ų5868.7 Ų68.760%0.59837%0.365SS*.  trans67.78.6-171.200000114.3R50R50-G54 WeakPolarHBondContact O-CA 3.44Å; R50-G54 PolarHBondContact O-N 2.66Å
55I96.4Very high95.2Very high24 Ų2464.6 Ų64.612%0.12335%0.347CS..PPolyproline II helixtrans-84.1123.3176.3-61.9-56.2000109.2N30 R31 M34 S53N30-I55 HydrophobicContact CB-CD1 4.38Å; N30-I55 HydrophobicContact CB-CG1 3.54Å; R31-I55 HydrophobicContact CG-CD1 4.26Å; R31-I55 HydrophobicContact CG-CG2 4.04Å; M34-I55 HydrophobicContact CB-CG2 3.96Å; M34-I55 WeakPolarHBondContact CE-O 3.45Å; M34-I55 HydrophobicContact CG-CG2 4.14Å; S53-I55 PolarHBondContact O-N 3.33Å; S53-I55 PolarHBondContact OG-N 3.04Å
56E96.1Very high95.1Very high130 Ų13066.6 Ų66.661%0.60735%0.349SS*.PPolyproline II helixtrans-76.1140.6172.5-67.7-58.9149.400111.4R50R50-E56 VanDerWaalsContact CD-OE2 3.3Å; R50-E56 WeakPolarHBondContact CD-OE2 3.15Å; R50-E56 IonicContact NH1-OE2 2.74Å
57P94.7Very high95Very high20 Ų2066.8 Ų66.813%0.1335%0.35CS..PPolyproline II helixtrans-67.1155.3172.129.9-34000111M34 V38 V59 L61M34-P57 HydrophobicContact CG-CB 4.28Å; M34-P57 HydrophobicContact SD-CB 4.01Å; V38-P57 HydrophobicContact CG2-CB 3.76Å; P57-V59 WeakPolarHBondContact CB-O 3.25Å; P57-V59 WeakPolarHBondContact CG-O 3.49Å; P57-V59 PolarHBondContact O-N 3.46Å; P57-L61 HydrophobicContact CB-CD2 3.75Å; P57-L61 HydrophobicContact CB-CG 4.3Å; P57-L61 HydrophobicContact CG-CD1 4.21Å; P57-L61 HydrophobicContact CG-CD2 3.86Å; P57-L61 HydrophobicContact CG-CG 3.83Å
58S90.7Very high94.9Very high97 Ų9766.1 Ų66.168%0.67835%0.347SS*.SBendtrans-74.7-12179.5540000114.1
59V91.9Very high94.8Very high41 Ų4165.8 Ų65.825%0.24835%0.346CS..SBendtrans-139.5161.6179.1-58.40000109V38 P57 L61V38-V59 HydrophobicContact CG1-CG2 3.53Å; P57-V59 WeakPolarHBondContact CB-O 3.25Å; P57-V59 WeakPolarHBondContact CG-O 3.49Å; P57-V59 PolarHBondContact O-N 3.46Å; V59-L61 PolarHBondContact O-N 2.9Å
60D93.2Very high94.8Very high105 Ų10564.1 Ų64.156%0.56134%0.339SS*.  trans-64.3127.9169.2-173.7-3.8000110.1E62 T63D60-E62 PolarHBondContact O-N 3.16Å; D60-E62 PolarHBondContact OD1-N 3.39Å; D60-E62 VanDerWaalsContact OD1-N 3.16Å; D60-T63 HydrophobicContact CB-CG2 4.17Å; D60-T63 WeakPolarHBondContact O-CB 3.47Å; D60-T63 WeakPolarHBondContact O-CG2 3.41Å; D60-T63 PolarHBondContact O-N 3.17Å; D60-T63 VanDerWaalsContact O-N 3.1Å; D60-T63 PolarHBondContact O-OG1 3.47Å
61L93.8Very high94.8Very high5 Ų562.5 Ų62.53%0.02633%0.333CS..G310 helixtrans-67.7-22.4-176.3-63.1-179.5000112.2V38 K43 A46 E47 P57 V59 T63 L64V38-L61 HydrophobicContact CG2-CD2 3.9Å; K43-L61 HydrophobicContact CG-CB 4.37Å; A46-L61 HydrophobicContact CB-CD1 4.31Å; A46-L61 HydrophobicContact CB-CD2 3.94Å; E47-L61 HydrophobicContact CB-CD1 4.42Å; E47-L61 HydrophobicContact CG-CD1 3.5Å; P57-L61 HydrophobicContact CB-CD2 3.75Å; P57-L61 HydrophobicContact CB-CG 4.3Å; P57-L61 HydrophobicContact CG-CD1 4.21Å; P57-L61 HydrophobicContact CG-CD2 3.86Å; P57-L61 HydrophobicContact CG-CG 3.83Å; V59-L61 PolarHBondContact O-N 2.9Å; L61-T63 PolarHBondContact O-N 2.95Å; L61-L64 HydrophobicContact CB-CD1 4.42Å; L61-L64 HydrophobicContact CD2-CD1 3.75Å; L61-L64 VanDerWaalsContact O-CB 3.24Å; L61-L64 WeakPolarHBondContact O-CB 3.35Å; L61-L64 WeakPolarHBondContact O-CG 3.4Å; L61-L64 PolarHBondContact O-N 3.23Å
62E93.3Very high94.8Very high101 Ų10160 Ų6047%0.47232%0.319SS..G310 helixtrans-63.7-26.5173.3-60.9-51.8121.700112K43 D60 L64 D65K43-E62 VanDerWaalsContact CE-OE1 3.28Å; K43-E62 WeakPolarHBondContact CE-OE1 3.13Å; K43-E62 IonicContact NZ-OE1 3.82Å; K43-E62 PolarHBondContact NZ-OE1 3.23Å; K43-E62 IonicContact NZ-OE2 3.36Å; K43-E62 PolarHBondContact NZ-OE2 3.16Å; D60-E62 PolarHBondContact O-N 3.16Å; D60-E62 PolarHBondContact OD1-N 3.39Å; D60-E62 VanDerWaalsContact OD1-N 3.16Å; E62-L64 PolarHBondContact O-N 3Å; E62-L64 VanDerWaalsContact O-N 3.12Å; E62-D65 WeakPolarHBondContact O-CB 3.4Å; E62-D65 PolarHBondContact O-N 3.46Å; E62-D65 VanDerWaalsContact O-N 3.16Å
63T90.2Very high94.9Very high45 Ų4554.8 Ų54.828%0.27630%0.295SS..G310 helixtrans-68-10.1175.171.80000113.2D60 L61 R186D60-T63 HydrophobicContact CB-CG2 4.17Å; D60-T63 WeakPolarHBondContact O-CB 3.47Å; D60-T63 WeakPolarHBondContact O-CG2 3.41Å; D60-T63 PolarHBondContact O-N 3.17Å; D60-T63 VanDerWaalsContact O-N 3.1Å; D60-T63 PolarHBondContact O-OG1 3.47Å; L61-T63 PolarHBondContact O-N 2.95Å; T63-R186 PolarHBondContact OG1-NH1 2.83Å
64L94.1Very high95Very high0 Ų053.6 Ų53.60%029%0.287CS..G310 helixtrans-81.1-17.3176.1-57.4174.6000112.5V38 K43 L61 E62 E66 R67 I68V38-L64 HydrophobicContact CG1-CD2 4.45Å; V38-L64 WeakPolarHBondContact O-CD2 3.44Å; K43-L64 HydrophobicContact CB-CB 4.35Å; K43-L64 HydrophobicContact CB-CD1 4.01Å; K43-L64 HydrophobicContact CG-CD1 4.5Å; L61-L64 HydrophobicContact CB-CD1 4.42Å; L61-L64 HydrophobicContact CD2-CD1 3.75Å; L61-L64 VanDerWaalsContact O-CB 3.24Å; L61-L64 WeakPolarHBondContact O-CB 3.35Å; L61-L64 WeakPolarHBondContact O-CG 3.4Å; L61-L64 PolarHBondContact O-N 3.23Å; E62-L64 PolarHBondContact O-N 3Å; E62-L64 VanDerWaalsContact O-N 3.12Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-E66 PolarHBondContact O-N 3.03Å; L64-R67 PolarHBondContact O-N 2.96Å; L64-I68 HydrophobicContact CB-CD1 4.09Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.28Å; L64-I68 PolarHBondContact O-N 3.45Å
65D95.5Very high95Very high53 Ų5353.1 Ų53.128%0.28327%0.271SS..Hα-helixtrans-62-40.1-171-74.7-4.2000113.1K43 E62 I68 K69K43-D65 WeakPolarHBondContact CD-OD1 3.46Å; K43-D65 WeakPolarHBondContact CE-OD1 3.48Å; K43-D65 VanDerWaalsContact NZ-CG 3.35Å; K43-D65 IonicContact NZ-OD1 2.76Å; K43-D65 PolarHBondContact NZ-OD1 2.96Å; K43-D65 IonicContact NZ-OD2 3.65Å; K43-D65 PolarHBondContact NZ-OD2 3.07Å; E62-D65 WeakPolarHBondContact O-CB 3.4Å; E62-D65 PolarHBondContact O-N 3.46Å; E62-D65 VanDerWaalsContact O-N 3.16Å; D65-I68 PolarHBondContact O-N 3.24Å; D65-K69 WeakPolarHBondContact O-CG 3.46Å; D65-K69 PolarHBondContact O-N 3Å
66E94.2Very high95Very high85 Ų8557.9 Ų57.940%0.39729%0.29SS..Hα-helixtrans-62.9-47.1176.6-72.6177.5172.100111.4L64 I68 K69 I70 L89L64-E66 VanDerWaalsContact C-N 3.34Å; L64-E66 PolarHBondContact O-N 3.03Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 3.37Å; E66-K69 WeakPolarHBondContact O-CB 3.24Å; E66-K69 PolarHBondContact O-N 3.43Å; E66-I70 WeakPolarHBondContact O-CG1 3.29Å; E66-I70 PolarHBondContact O-N 3.22Å; E66-I70 VanDerWaalsContact O-N 3.07Å; E66-L89 HydrophobicContact CB-CD1 3.78Å; E66-L89 HydrophobicContact CG-CD1 4.03Å; E66-L89 HydrophobicContact CG-CD2 4.17Å
67R95.3Very high95.1Very high5 Ų552.1 Ų52.12%0.01927%0.266CS..Hα-helixtrans-62.9-37.9175.6-79.8177.950.6-131.8-13.1112.4V38 T39 G41 L64 I70 R71 W173 N177 V180V38-R67 PolarHBondContact O-NH1 3.5Å; T39-R67 PolarHBondContact O-NH2 3.27Å; G41-R67 VanDerWaalsContact N-NH2 3.13Å; L64-R67 PolarHBondContact O-N 2.96Å; R67-I70 PolarHBondContact O-N 3Å; R67-R71 WeakPolarHBondContact O-CB 3.44Å; R67-R71 PolarHBondContact O-N 3.35Å; R67-W173 HydrophobicContact CB-CH2 4.2Å; R67-W173 VanDerWaalsContact O-CH2 3.29Å; R67-W173 WeakPolarHBondContact O-CH2 3.19Å; R67-N177 PolarHBondContact NE-OD1 2.94Å; R67-N177 PolarHBondContact NH2-OD1 3.46Å; R67-V180 HydrophobicContact CG-CG1 3.98Å
68I95.4Very high95.2Very high39 Ų3955.1 Ų55.120%0.228%0.278CS..Hα-helixtrans-63.7-42.6175.8-71164.7000110.6G41 K43 L64 D65 E66 R71 E72G41-I68 WeakPolarHBondContact O-CG1 3.38Å; K43-I68 HydrophobicContact CB-CD1 3.46Å; K43-I68 VanDerWaalsContact CB-CD1 3.46Å; K43-I68 HydrophobicContact CD-CD1 4.17Å; K43-I68 HydrophobicContact CG-CD1 4.43Å; L64-I68 HydrophobicContact CB-CD1 4.09Å; L64-I68 VanDerWaalsContact O-CG1 3.28Å; L64-I68 WeakPolarHBondContact O-CG1 3.28Å; L64-I68 PolarHBondContact O-N 3.45Å; D65-I68 PolarHBondContact O-N 3.24Å; E66-I68 VanDerWaalsContact C-N 3.33Å; E66-I68 PolarHBondContact O-N 3.37Å; I68-R71 WeakPolarHBondContact O-CB 3.32Å; I68-R71 PolarHBondContact O-N 2.9Å; I68-E72 WeakPolarHBondContact O-CG 3.39Å; I68-E72 PolarHBondContact O-N 3.41Å
69K96.7Very high95.6Very high120 Ų12050.5 Ų50.552%0.52225%0.246SC..Hα-helixtrans-60.7-46.8175.5-70.3169.1-173.1172.10111.9D65 E66 R71 E72 M73 L85D65-K69 WeakPolarHBondContact O-CG 3.46Å; D65-K69 PolarHBondContact O-N 3Å; E66-K69 WeakPolarHBondContact O-CB 3.24Å; E66-K69 PolarHBondContact O-N 3.43Å; K69-R71 VanDerWaalsContact C-N 3.34Å; K69-R71 PolarHBondContact O-N 3.24Å; K69-E72 PolarHBondContact O-N 3.33Å; K69-M73 WeakPolarHBondContact O-CG 3.49Å; K69-M73 PolarHBondContact O-N 2.99Å; K69-M73 VanDerWaalsContact O-N 3.09Å; K69-L85 HydrophobicContact CB-CD2 3.86Å
70I97.2Very high95.8Very high0 Ų051.9 Ų51.90%025%0.25CS..Hα-helixtrans-58.4-48.1176-64.6165.3000110.3E66 R67 E72 M73 I74 L85 I86 L89 W173 V176E66-I70 WeakPolarHBondContact O-CG1 3.29Å; E66-I70 PolarHBondContact O-N 3.22Å; E66-I70 VanDerWaalsContact O-N 3.07Å; R67-I70 PolarHBondContact O-N 3Å; I70-E72 VanDerWaalsContact C-N 3.35Å; I70-E72 PolarHBondContact O-N 3.02Å; I70-M73 PolarHBondContact O-N 3.42Å; I70-I74 HydrophobicContact CG2-CD1 3.86Å; I70-I74 WeakPolarHBondContact O-CG1 3.44Å; I70-I74 PolarHBondContact O-N 2.89Å; I70-L85 HydrophobicContact CG1-CD2 3.67Å; I70-L85 HydrophobicContact CG1-CG 3.94Å; I70-I86 HydrophobicContact CD1-CG1 3.89Å; I70-I86 HydrophobicContact CG1-CG1 4.19Å; I70-I86 HydrophobicContact CG2-CD1 4Å; I70-I86 HydrophobicContact CG2-CG1 3.95Å; I70-L89 HydrophobicContact CD1-CD1 4.11Å; I70-W173 HydrophobicContact CB-CZ3 4.3Å; I70-W173 HydrophobicContact CG2-CE3 4.47Å; I70-W173 HydrophobicContact CG2-CZ3 4.03Å; I70-V176 HydrophobicContact CG2-CG1 3.82Å
71R96.9Very high96.1Very high53 Ų5351.4 Ų51.420%0.224%0.244CC..Hα-helixtrans-55.9-49177.6-178.8179.3-180163.35111.9E40 R67 I68 K69 M73 I74 L75 W173E40-R71 PolarHBondContact O-NH1 2.96Å; R67-R71 WeakPolarHBondContact O-CB 3.44Å; R67-R71 PolarHBondContact O-N 3.35Å; I68-R71 WeakPolarHBondContact O-CB 3.32Å; I68-R71 PolarHBondContact O-N 2.9Å; K69-R71 VanDerWaalsContact C-N 3.34Å; K69-R71 PolarHBondContact O-N 3.24Å; R71-M73 VanDerWaalsContact C-N 3.33Å; R71-M73 PolarHBondContact O-N 3.07Å; R71-I74 PolarHBondContact O-N 3.33Å; R71-L75 HydrophobicContact CG-CD1 3.79Å; R71-L75 HydrophobicContact CG-CG 4.17Å; R71-L75 WeakPolarHBondContact O-CB 3.36Å; R71-L75 VanDerWaalsContact O-CG 3.29Å; R71-L75 WeakPolarHBondContact O-CG 3.21Å; R71-L75 PolarHBondContact O-N 3.34Å; R71-W173 HydrophobicContact CB-CD2 3.72Å; R71-W173 HydrophobicContact CB-CE3 3.67Å; R71-W173 HydrophobicContact CB-CH2 3.67Å; R71-W173 HydrophobicContact CB-CZ2 3.72Å; R71-W173 HydrophobicContact CB-CZ3 3.64Å; R71-W173 HydrophobicContact CG-CD2 3.62Å; R71-W173 HydrophobicContact CG-CE3 4.1Å; R71-W173 HydrophobicContact CG-CG 4Å; R71-W173 HydrophobicContact CG-CH2 4.39Å; R71-W173 HydrophobicContact CG-CZ2 3.96Å; R71-W173 HydrophobicContact CG-CZ3 4.46Å
72E96.9Very high96.3Very high93 Ų9351.1 Ų51.144%0.43524%0.243SC..Hα-helixtrans-60.2-44.3-179.4-78.1-169.8-163.900112.1I68 K69 I70 L75 K76I68-E72 WeakPolarHBondContact O-CG 3.39Å; I68-E72 PolarHBondContact O-N 3.41Å; K69-E72 PolarHBondContact O-N 3.33Å; I70-E72 VanDerWaalsContact C-N 3.35Å; I70-E72 PolarHBondContact O-N 3.02Å; E72-L75 PolarHBondContact O-N 3.03Å; E72-K76 VanDerWaalsContact O-CB 3.27Å; E72-K76 WeakPolarHBondContact O-CB 3.49Å; E72-K76 WeakPolarHBondContact O-CD 3.42Å; E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 3.16Å; E72-K76 IonicContact OE2-NZ 3.1Å; E72-K76 PolarHBondContact OE2-NZ 2.95Å
73M98.1Very high96.5Very high51 Ų5146.8 Ų46.825%0.25122%0.223SC..Hα-helixtrans-59.5-48.6176.7-70.5175.1174.900110.7K69 I70 R71 L75 K76 G77 Q78 E81 A82 L85K69-M73 WeakPolarHBondContact O-CG 3.49Å; K69-M73 PolarHBondContact O-N 2.99Å; K69-M73 VanDerWaalsContact O-N 3.09Å; I70-M73 PolarHBondContact O-N 3.42Å; R71-M73 VanDerWaalsContact C-N 3.33Å; R71-M73 PolarHBondContact O-N 3.07Å; M73-L75 PolarHBondContact O-N 2.8Å; M73-K76 PolarHBondContact O-N 3.25Å; M73-G77 PolarHBondContact O-N 3.31Å; M73-G77 VanDerWaalsContact O-N 3.08Å; M73-Q78 HydrophobicContact CB-CB 4.16Å; M73-Q78 PolarHBondContact O-N 3.16Å; M73-E81 HydrophobicContact CE-CB 4.4Å; M73-E81 HydrophobicContact SD-CB 3.98Å; M73-A82 HydrophobicContact CB-CB 3.85Å; M73-L85 HydrophobicContact CE-CD2 4.09Å; M73-L85 HydrophobicContact SD-CB 4.32Å; M73-L85 HydrophobicContact SD-CD2 3.89Å
74I98.1Very high96.9Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-61.8-47.2179.1-67172.8000111.6I70 R71 K76 G77 I79 A82 L104 R169 V172 W173 V176I70-I74 HydrophobicContact CG2-CD1 3.86Å; I70-I74 WeakPolarHBondContact O-CG1 3.44Å; I70-I74 PolarHBondContact O-N 2.89Å; R71-I74 PolarHBondContact O-N 3.33Å; I74-K76 VanDerWaalsContact C-N 3.28Å; I74-K76 PolarHBondContact O-N 3.49Å; I74-G77 PolarHBondContact O-N 2.89Å; I74-I79 HydrophobicContact CB-CD1 4.46Å; I74-I79 HydrophobicContact CG1-CD1 4.46Å; I74-I79 HydrophobicContact CG2-CD1 4.27Å; I74-A82 HydrophobicContact CD1-CB 4.38Å; I74-A82 HydrophobicContact CG1-CB 3.68Å; I74-L104 HydrophobicContact CD1-CD2 4.3Å; I74-R169 WeakPolarHBondContact CG2-O 3.41Å; I74-R169 WeakPolarHBondContact O-CD 3.42Å; I74-V172 HydrophobicContact CG2-CB 4.43Å; I74-V172 HydrophobicContact CG2-CG1 4.26Å; I74-W173 HydrophobicContact CD1-CE3 4.22Å; I74-W173 HydrophobicContact CG2-CB 4.04Å; I74-V176 HydrophobicContact CD1-CB 4.08Å; I74-V176 HydrophobicContact CD1-CG1 4.1Å; I74-V176 HydrophobicContact CD1-CG2 3.8Å
75L96.5Very high97.1Very high49 Ų4949.3 Ų49.326%0.25724%0.243SC..Hα-helixtrans-67.6-29.2-178.9-66.5-176.5000112.7R71 E72 M73 G77 R169 Q170R71-L75 HydrophobicContact CG-CD1 3.79Å; R71-L75 HydrophobicContact CG-CG 4.17Å; R71-L75 WeakPolarHBondContact O-CB 3.36Å; R71-L75 VanDerWaalsContact O-CG 3.29Å; R71-L75 WeakPolarHBondContact O-CG 3.21Å; R71-L75 PolarHBondContact O-N 3.34Å; E72-L75 PolarHBondContact O-N 3.03Å; M73-L75 PolarHBondContact O-N 2.8Å; L75-G77 VanDerWaalsContact C-N 3.3Å; L75-R169 HydrophobicContact CD2-CB 4.22Å; L75-R169 VanDerWaalsContact O-CD 3.27Å; L75-R169 WeakPolarHBondContact O-CD 3.32Å; L75-R169 PolarHBondContact O-NH1 3.18Å; L75-Q170 HydrophobicContact CD2-CG 3.97Å
76K97Very high97.2Very high123 Ų12346.8 Ų46.854%0.53523%0.23SC..Hα-helixtrans-78.3-10.9172.2-70.7167.6-176.2161.60113.2E72 M73 I74 Q78E72-K76 VanDerWaalsContact O-CB 3.27Å; E72-K76 WeakPolarHBondContact O-CB 3.49Å; E72-K76 WeakPolarHBondContact O-CD 3.42Å; E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 3.16Å; E72-K76 IonicContact OE2-NZ 3.1Å; E72-K76 PolarHBondContact OE2-NZ 2.95Å; M73-K76 PolarHBondContact O-N 3.25Å; I74-K76 VanDerWaalsContact C-N 3.28Å; I74-K76 PolarHBondContact O-N 3.49Å; K76-Q78 HydrophobicContact CB-CG 4.24Å
77G97.1Very high97.4Very high10 Ų1045.7 Ų45.710%0.10323%0.226CC..THydrogen-bonded Turntrans84.113.3-17700000114.2M73 I74 L75 I79M73-G77 PolarHBondContact O-N 3.31Å; M73-G77 VanDerWaalsContact O-N 3.08Å; I74-G77 PolarHBondContact O-N 2.89Å; L75-G77 VanDerWaalsContact C-N 3.3Å; G77-I79 PolarHBondContact O-N 2.74Å; G77-I79 VanDerWaalsContact O-N 3.08Å
78Q97.9Very high97.5Very high82 Ų8249.2 Ų49.238%0.38325%0.252SS..  trans-85.864.4177.7-62.3179.8-58.200109.9M73 K76 E81 A82M73-Q78 HydrophobicContact CB-CB 4.16Å; M73-Q78 PolarHBondContact O-N 3.16Å; K76-Q78 HydrophobicContact CB-CG 4.24Å; Q78-E81 WeakPolarHBondContact CA-OE2 3.27Å; Q78-E81 HydrophobicContact CB-CB 4.37Å; Q78-E81 WeakPolarHBondContact CB-OE2 3.32Å; Q78-A82 PolarHBondContact O-N 3.43Å
79I98.1Very high97.5Very high1 Ų149.7 Ų49.71%0.00526%0.255CS..Hα-helixtrans-72.5-37.8-166.6-53.5-57.1000112.4I74 G77 A82 I83 L104 Q107 H108 E111I74-I79 HydrophobicContact CB-CD1 4.46Å; I74-I79 HydrophobicContact CG1-CD1 4.46Å; I74-I79 HydrophobicContact CG2-CD1 4.27Å; G77-I79 PolarHBondContact O-N 2.74Å; G77-I79 VanDerWaalsContact O-N 3.08Å; I79-A82 WeakPolarHBondContact O-CB 3.49Å; I79-A82 PolarHBondContact O-N 3.3Å; I79-I83 HydrophobicContact CG2-CD1 4.13Å; I79-I83 HydrophobicContact CG2-CG1 4.47Å; I79-I83 WeakPolarHBondContact O-CG1 3.35Å; I79-I83 PolarHBondContact O-N 2.96Å; I79-L104 HydrophobicContact CG2-CB 4.35Å; I79-L104 HydrophobicContact CG2-CD2 4.06Å; I79-L104 VanDerWaalsContact CG2-O 3.24Å; I79-L104 WeakPolarHBondContact CG2-O 3.39Å; I79-Q107 HydrophobicContact CD1-CB 4.29Å; I79-Q107 HydrophobicContact CD1-CG 3.6Å; I79-Q107 HydrophobicContact CG1-CB 4.26Å; I79-Q107 HydrophobicContact CG1-CG 3.84Å; I79-H108 HydrophobicContact CB-CB 4.05Å; I79-H108 HydrophobicContact CG2-CB 4.11Å; I79-E111 HydrophobicContact CG1-CG 4.11Å
80Q97.4Very high97.5Very high70 Ų7044.4 Ų44.433%0.32723%0.232SC..Hα-helixtrans-67.8-39179.3-65.9-58.5-34.300111.3A82 I83 A84 H108Q80-A82 VanDerWaalsContact C-N 3.33Å; Q80-I83 PolarHBondContact O-N 3.08Å; Q80-A84 WeakPolarHBondContact O-CB 3.36Å; Q80-A84 PolarHBondContact O-N 3.08Å; Q80-H108 PolarHBondContact NE2-CD2 3.48Å
81E98.3Very high97.3Very high94 Ų9447.8 Ų47.844%0.43925%0.254SS..Hα-helixtrans-64.7-38.9173.2-60.790.6154.100111.5M73 Q78 A84 L85M73-E81 HydrophobicContact CE-CB 4.4Å; M73-E81 HydrophobicContact SD-CB 3.98Å; Q78-E81 WeakPolarHBondContact CA-OE2 3.27Å; Q78-E81 HydrophobicContact CB-CB 4.37Å; Q78-E81 WeakPolarHBondContact CB-OE2 3.32Å; E81-A84 PolarHBondContact O-N 3.49Å; E81-L85 WeakPolarHBondContact O-CB 3.44Å; E81-L85 PolarHBondContact O-N 3Å
82A98.4Very high97.2Very high0 Ų051.1 Ų51.10%027%0.271CS..Hα-helixtrans-62.8-45.417400000111.9M73 I74 Q78 I79 Q80 A84 L85 I86M73-A82 HydrophobicContact CB-CB 3.85Å; I74-A82 HydrophobicContact CD1-CB 4.38Å; I74-A82 HydrophobicContact CG1-CB 3.68Å; Q78-A82 PolarHBondContact O-N 3.43Å; I79-A82 WeakPolarHBondContact O-CB 3.49Å; I79-A82 PolarHBondContact O-N 3.3Å; Q80-A82 VanDerWaalsContact C-N 3.33Å; A82-A84 PolarHBondContact O-N 3.43Å; A82-L85 PolarHBondContact O-N 3.16Å; A82-I86 WeakPolarHBondContact O-CB 3.39Å; A82-I86 WeakPolarHBondContact O-CD1 3.41Å; A82-I86 WeakPolarHBondContact O-CG1 3.43Å; A82-I86 PolarHBondContact O-N 3.04Å
83I97.8Very high97.2Very high10 Ų1047 Ų475%0.05125%0.253CS..Hα-helixtrans-58.9-47.4175.9-70.3166.7000110.5I79 Q80 L85 I86 N87 L94 Y101 L104I79-I83 HydrophobicContact CG2-CD1 4.13Å; I79-I83 HydrophobicContact CG2-CG1 4.47Å; I79-I83 WeakPolarHBondContact O-CG1 3.35Å; I79-I83 PolarHBondContact O-N 2.96Å; Q80-I83 PolarHBondContact O-N 3.08Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 2.69Å; I83-I86 PolarHBondContact O-N 3.16Å; I83-N87 PolarHBondContact O-N 3.06Å; I83-L94 HydrophobicContact CB-CD1 4.48Å; I83-L94 HydrophobicContact CG1-CD1 4.5Å; I83-L94 HydrophobicContact CG2-CD1 3.89Å; I83-Y101 HydrophobicContact CG2-CE2 4.41Å; I83-L104 HydrophobicContact CD1-CB 4.05Å; I83-L104 HydrophobicContact CG1-CB 4.12Å; I83-L104 HydrophobicContact CG1-CD1 4.11Å; I83-L104 HydrophobicContact CG1-CD2 4.49Å; I83-L104 HydrophobicContact CG1-CG 4.49Å
84A98Very high97.1Very high62 Ų6244.7 Ų44.751%0.51224%0.241SC..Hα-helixtrans-61-42178.900000111.9Q80 E81 A82 S88Q80-A84 WeakPolarHBondContact O-CB 3.36Å; Q80-A84 PolarHBondContact O-N 3.08Å; E81-A84 PolarHBondContact O-N 3.49Å; A82-A84 PolarHBondContact O-N 3.43Å; A84-S88 WeakPolarHBondContact O-CB 3.41Å; A84-S88 PolarHBondContact O-N 3.15Å; A84-S88 VanDerWaalsContact O-N 3.08Å
85L98Very high96.8Very high36 Ų3650.3 Ų50.319%0.18827%0.271CS..Hα-helixtrans-65-45.7176.5-177.558.2000111.5K69 I70 M73 E81 A82 I83 N87 S88 L89K69-L85 HydrophobicContact CB-CD2 3.86Å; I70-L85 HydrophobicContact CG1-CD2 3.67Å; I70-L85 HydrophobicContact CG1-CG 3.94Å; M73-L85 HydrophobicContact CE-CD2 4.09Å; M73-L85 HydrophobicContact SD-CB 4.32Å; M73-L85 HydrophobicContact SD-CD2 3.89Å; E81-L85 WeakPolarHBondContact O-CB 3.44Å; E81-L85 PolarHBondContact O-N 3Å; A82-L85 PolarHBondContact O-N 3.16Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 2.69Å; L85-N87 PolarHBondContact O-N 3.28Å; L85-S88 PolarHBondContact O-N 3.02Å; L85-S88 VanDerWaalsContact O-N 3.16Å; L85-S88 PolarHBondContact O-OG 3.44Å; L85-L89 HydrophobicContact CD1-CD1 3.77Å; L85-L89 HydrophobicContact CD1-CG 4.04Å; L85-L89 HydrophobicContact CG-CD1 3.89Å; L85-L89 WeakPolarHBondContact O-CG 3.23Å; L85-L89 PolarHBondContact O-N 3.21Å; L85-L89 VanDerWaalsContact O-N 3.08Å
86I98Very high96.7Very high0 Ų052.8 Ų52.80%029%0.289CS..Hα-helixtrans-56.7-51.1176.3-69.6161.5000110.5I70 A82 I83 S88 L89 H90 L93 L94 L104 V176I70-I86 HydrophobicContact CD1-CG1 3.89Å; I70-I86 HydrophobicContact CG1-CG1 4.19Å; I70-I86 HydrophobicContact CG2-CD1 4Å; I70-I86 HydrophobicContact CG2-CG1 3.95Å; A82-I86 WeakPolarHBondContact O-CB 3.39Å; A82-I86 WeakPolarHBondContact O-CD1 3.41Å; A82-I86 WeakPolarHBondContact O-CG1 3.43Å; A82-I86 PolarHBondContact O-N 3.04Å; I83-I86 PolarHBondContact O-N 3.16Å; I86-S88 PolarHBondContact O-N 3.34Å; I86-L89 PolarHBondContact O-N 3.1Å; I86-L89 VanDerWaalsContact O-N 3.16Å; I86-H90 CarbonylContact O-C 3.54Å; I86-H90 PolarHBondContact O-N 3.36Å; I86-L93 HydrophobicContact CG2-CD2 3.93Å; I86-L94 HydrophobicContact CB-CD1 4.37Å; I86-L94 HydrophobicContact CG2-CD1 3.97Å; I86-L94 HydrophobicContact CG2-CD2 4.24Å; I86-L94 HydrophobicContact CG2-CG 3.92Å; I86-L104 HydrophobicContact CD1-CD1 4.21Å; I86-V176 HydrophobicContact CD1-CG1 3.74Å; I86-V176 HydrophobicContact CD1-CG2 4.4Å; I86-V176 HydrophobicContact CG1-CG1 4.43Å
87N97.4Very high96.5Very high61 Ų6149.7 Ų49.733%0.32628%0.278SS..Hα-helixtrans-63-29.2179.6-76.9-22.9000113I83 L85 L94I83-N87 PolarHBondContact O-N 3.06Å; L85-N87 PolarHBondContact O-N 3.28Å; N87-L94 WeakPolarHBondContact OD1-CD1 3.44Å
88S97.6Very high96.2Very high80 Ų8056 Ų5656%0.55930%0.299SS*.Hα-helixtrans-73.4-34.4176.481.10000113.3A84 L85 I86A84-S88 WeakPolarHBondContact O-CB 3.41Å; A84-S88 PolarHBondContact O-N 3.15Å; A84-S88 VanDerWaalsContact O-N 3.08Å; L85-S88 PolarHBondContact O-N 3.02Å; L85-S88 VanDerWaalsContact O-N 3.16Å; L85-S88 PolarHBondContact O-OG 3.44Å; I86-S88 PolarHBondContact O-N 3.34Å
89L96Very high95.9Very high48 Ų4858.2 Ų58.225%0.25130%0.304SS..Hα-helixtrans-92-39.5-175-67.2175.3000112.3E66 I70 L85 I86 P91E66-L89 HydrophobicContact CB-CD1 3.78Å; E66-L89 HydrophobicContact CG-CD1 4.03Å; E66-L89 HydrophobicContact CG-CD2 4.17Å; I70-L89 HydrophobicContact CD1-CD1 4.11Å; L85-L89 HydrophobicContact CD1-CD1 3.77Å; L85-L89 HydrophobicContact CD1-CG 4.04Å; L85-L89 HydrophobicContact CG-CD1 3.89Å; L85-L89 WeakPolarHBondContact O-CG 3.23Å; L85-L89 PolarHBondContact O-N 3.21Å; L85-L89 VanDerWaalsContact O-N 3.08Å; I86-L89 PolarHBondContact O-N 3.1Å; I86-L89 VanDerWaalsContact O-N 3.16Å; L89-P91 WeakPolarHBondContact O-CD 3.39Å
90H95.8Very high95.8Very high9 Ų958.4 Ų58.44%0.04231%0.305CS..SBendtrans-127.274-177.7-51.899.8000109.4I86 E92 L93 V180 Y183 E184I86-H90 CarbonylContact O-C 3.54Å; I86-H90 PolarHBondContact O-N 3.36Å; H90-E92 PolarHBondContact O-N 2.84Å; H90-L93 HydrophobicContact CB-CB 3.96Å; H90-L93 HydrophobicContact CB-CD2 4.11Å; H90-L93 WeakPolarHBondContact O-CB 3.43Å; H90-L93 PolarHBondContact O-N 2.73Å; H90-V180 VanDerWaalsContact CE1-CG1 3.46Å; H90-V180 WeakPolarHBondContact CE1-CG1 3.44Å; H90-Y183 HydrophobicContact CB-CD1 3.92Å; H90-Y183 HydrophobicContact CB-CE1 3.88Å; H90-Y183 HydrophobicContact CB-CG 4.48Å; H90-Y183 AromaticContact CD2-CD1 3.54Å; H90-Y183 AromaticContact CD2-CE1 3.88Å; H90-E184 IonicContact CD2-OE1 2.68Å; H90-E184 IonicContact CE1-OE1 3.76Å; H90-E184 IonicContact NE2-OE1 3.28Å; H90-E184 PolarHBondContact NE2-OE1 3.11Å
91P94.1Very high95.7Very high71 Ų7157.8 Ų57.846%0.46130%0.3SS..THydrogen-bonded Turntrans-52.6141.8175.5-23.333.6000110.2L89 L93 Y183L89-P91 WeakPolarHBondContact O-CD 3.39Å; P91-L93 VanDerWaalsContact C-N 3.27Å; P91-L93 PolarHBondContact O-N 2.75Å; P91-Y183 PolarHBondContact O-OH 2.99Å
92E94.5Very high95.5Very high123 Ų12353.5 Ų53.558%0.57528%0.28SS*.THydrogen-bonded Turntrans74.5-9.7-179.1-45.5177.4176.900116.8H90 L94 D95 T96H90-E92 PolarHBondContact O-N 2.84Å; E92-L94 PolarHBondContact O-N 3.26Å; E92-D95 PolarHBondContact O-N 3.29Å; E92-T96 HydrophobicContact CB-CG2 4.4Å; E92-T96 WeakPolarHBondContact O-CB 3.44Å; E92-T96 WeakPolarHBondContact O-CG2 3.46Å; E92-T96 PolarHBondContact O-N 2.9Å; E92-T96 PolarHBondContact O-OG1 3.49Å
93L96.6Very high95.4Very high7 Ų754.7 Ų54.74%0.03729%0.286CS..Hα-helixtrans-57.9-47.9-178.9176.757.4000112.1I86 H90 P91 T96 N97 A179 V180 Y183I86-L93 HydrophobicContact CG2-CD2 3.93Å; H90-L93 HydrophobicContact CB-CB 3.96Å; H90-L93 HydrophobicContact CB-CD2 4.11Å; H90-L93 WeakPolarHBondContact O-CB 3.43Å; H90-L93 PolarHBondContact O-N 2.73Å; P91-L93 VanDerWaalsContact C-N 3.27Å; P91-L93 PolarHBondContact O-N 2.75Å; L93-T96 PolarHBondContact O-OG1 3.33Å; L93-N97 WeakPolarHBondContact O-CB 3.36Å; L93-N97 PolarHBondContact O-N 3.07Å; L93-N97 VanDerWaalsContact O-N 3.07Å; L93-A179 HydrophobicContact CD1-CB 4.19Å; L93-V180 HydrophobicContact CD2-CG2 3.72Å; L93-Y183 HydrophobicContact CB-CD2 4.18Å; L93-Y183 HydrophobicContact CB-CE2 4.48Å; L93-Y183 HydrophobicContact CD1-CD2 3.94Å; L93-Y183 HydrophobicContact CD1-CG 4.19Å
94L95.6Very high95.3Very high3 Ų354.2 Ų54.22%0.01628%0.283CS..Hα-helixtrans-78-28.1-178.5-61.3-178000112.3I83 I86 N87 E92 N97 L100 Y101 L104I83-L94 HydrophobicContact CB-CD1 4.48Å; I83-L94 HydrophobicContact CG1-CD1 4.5Å; I83-L94 HydrophobicContact CG2-CD1 3.89Å; I86-L94 HydrophobicContact CB-CD1 4.37Å; I86-L94 HydrophobicContact CG2-CD1 3.97Å; I86-L94 HydrophobicContact CG2-CD2 4.24Å; I86-L94 HydrophobicContact CG2-CG 3.92Å; N87-L94 WeakPolarHBondContact OD1-CD1 3.44Å; E92-L94 PolarHBondContact O-N 3.26Å; L94-N97 CarbonylContact O-C 3.56Å; L94-L100 HydrophobicContact CD2-CD2 3.85Å; L94-L100 HydrophobicContact CD2-CG 4.07Å; L94-Y101 HydrophobicContact CB-CD2 3.82Å; L94-Y101 HydrophobicContact CB-CG 4.43Å; L94-Y101 HydrophobicContact CD1-CD2 3.98Å; L94-Y101 HydrophobicContact CG-CD2 4.36Å; L94-L104 HydrophobicContact CD1-CD1 4.22Å; L94-L104 HydrophobicContact CD2-CD1 3.74Å
95D93Very high95.2Very high118 Ų11851.6 Ų51.663%0.63126%0.26SS*.Hα-helixtrans-68.8-37.7175.8-60.7-40000111.7E92E92-D95 PolarHBondContact O-N 3.29Å
96T93.1Very high95.1Very high101 Ų10150 Ų5062%0.6225%0.252SS*.Hα-helixtrans-82.8-26.2179.155.90000112.8E92 L93E92-T96 HydrophobicContact CB-CG2 4.4Å; E92-T96 WeakPolarHBondContact O-CB 3.44Å; E92-T96 WeakPolarHBondContact O-CG2 3.46Å; E92-T96 PolarHBondContact O-N 2.9Å; E92-T96 PolarHBondContact O-OG1 3.49Å; L93-T96 PolarHBondContact O-OG1 3.33Å
97N93.5Very high95.1Very high57 Ų5750 Ų5031%0.30525%0.252SS..  trans-113.876.4178.3-167.1-14.3000112L93 L94 Y99 L100 Y101L93-N97 WeakPolarHBondContact O-CB 3.36Å; L93-N97 PolarHBondContact O-N 3.07Å; L93-N97 VanDerWaalsContact O-N 3.07Å; L94-N97 CarbonylContact O-C 3.56Å; N97-Y99 VanDerWaalsContact C-N 3.28Å; N97-Y99 PolarHBondContact O-N 3.12Å; N97-L100 HydrophobicContact CB-CB 4.1Å; N97-L100 VanDerWaalsContact CG-CB 3.47Å; N97-L100 PolarHBondContact O-N 3.18Å; N97-L100 VanDerWaalsContact O-N 3.17Å; N97-L100 PolarHBondContact OD1-N 3.05Å; N97-Y101 PolarHBondContact O-N 2.76Å; N97-Y101 VanDerWaalsContact O-N 3.12Å
98R91.1Very high95Very high143 Ų14348.9 Ų48.954%0.5425%0.245SC..Hα-helixtrans-58.1-35.7-178.5-63.6-172-177.6-173.9-1114Y101 F102 E135R98-Y101 PolarHBondContact O-N 3.38Å; R98-F102 WeakPolarHBondContact O-CB 3.47Å; R98-F102 PolarHBondContact O-N 2.68Å; R98-E135 VanDerWaalsContact CD-OE2 3.28Å; R98-E135 WeakPolarHBondContact CD-OE2 3.5Å; R98-E135 IonicContact CZ-OE1 3.48Å; R98-E135 IonicContact NH1-OE1 2.76Å; R98-E135 PolarHBondContact NH1-OE1 3.22Å; R98-E135 IonicContact NH1-OE2 3.38Å
99Y92.6Very high95Very high128 Ų12845 Ų4550%0.50222%0.218SC..Hα-helixtrans-65-43177.7-73.5-79.3000112N97 Y101 F102 H103N97-Y99 VanDerWaalsContact C-N 3.28Å; N97-Y99 PolarHBondContact O-N 3.12Å; Y99-Y101 VanDerWaalsContact C-N 3.35Å; Y99-F102 PolarHBondContact O-N 3.4Å; Y99-H103 PolarHBondContact O-N 3.34Å
100L95.3Very high95Very high5 Ų542.8 Ų42.83%0.02621%0.206CC..Hα-helixtrans-63.4-43.5175.617965.2000111.6L94 N97 F102 H103 L104 E175 V176 A179L94-L100 HydrophobicContact CD2-CD2 3.85Å; L94-L100 HydrophobicContact CD2-CG 4.07Å; N97-L100 HydrophobicContact CB-CB 4.1Å; N97-L100 VanDerWaalsContact CG-CB 3.47Å; N97-L100 PolarHBondContact O-N 3.18Å; N97-L100 VanDerWaalsContact O-N 3.17Å; N97-L100 PolarHBondContact OD1-N 3.05Å; L100-F102 VanDerWaalsContact C-N 3.34Å; L100-H103 PolarHBondContact O-N 3.31Å; L100-L104 HydrophobicContact CG-CD1 4.35Å; L100-L104 PolarHBondContact O-N 2.79Å; L100-E175 HydrophobicContact CD1-CB 3.87Å; L100-V176 HydrophobicContact CD1-CG2 3.78Å; L100-V176 HydrophobicContact CG-CG2 4.48Å; L100-A179 HydrophobicContact CD2-CB 3.45Å; L100-A179 VanDerWaalsContact CD2-CB 3.45Å
101Y94.8Very high95.1Very high58 Ų5842.5 Ų42.523%0.22721%0.205CC..Hα-helixtrans-61.2-44176.1-176.5-99.6000111.5I83 L94 N97 R98 Y99 H103 L104 Q105 Q132I83-Y101 HydrophobicContact CG2-CE2 4.41Å; L94-Y101 HydrophobicContact CB-CD2 3.82Å; L94-Y101 HydrophobicContact CB-CG 4.43Å; L94-Y101 HydrophobicContact CD1-CD2 3.98Å; L94-Y101 HydrophobicContact CG-CD2 4.36Å; N97-Y101 PolarHBondContact O-N 2.76Å; N97-Y101 VanDerWaalsContact O-N 3.12Å; R98-Y101 PolarHBondContact O-N 3.38Å; Y99-Y101 VanDerWaalsContact C-N 3.35Å; Y101-H103 PolarHBondContact O-N 3.44Å; Y101-L104 WeakPolarHBondContact O-CB 3.3Å; Y101-L104 PolarHBondContact O-N 2.95Å; Y101-Q105 HydrophobicContact CD1-CG 4.13Å; Y101-Q105 HydrophobicContact CE1-CG 3.79Å; Y101-Q105 HydrophobicContact CE2-CG 4.42Å; Y101-Q105 WeakPolarHBondContact O-CG 3.49Å; Y101-Q105 PolarHBondContact O-N 3.09Å; Y101-Q105 PolarHBondContact OH-NE2 3.3Å; Y101-Q132 VanDerWaalsContact CD1-NE2 3.3Å
102F94.2Very high95.2Very high3 Ų339.8 Ų39.81%0.01319%0.186CC..Hα-helixtrans-56.9-48.5173.9170.9-96.8000111.9R98 Y99 L100 L104 Q105 Q106 L129 Q132 C139 E142 M143R98-F102 WeakPolarHBondContact O-CB 3.47Å; R98-F102 PolarHBondContact O-N 2.68Å; Y99-F102 PolarHBondContact O-N 3.4Å; L100-F102 VanDerWaalsContact C-N 3.34Å; F102-L104 VanDerWaalsContact C-N 3.31Å; F102-L104 PolarHBondContact O-N 2.99Å; F102-Q105 PolarHBondContact O-N 2.97Å; F102-Q105 VanDerWaalsContact O-N 3.17Å; F102-Q106 WeakPolarHBondContact O-CB 3.42Å; F102-Q106 PolarHBondContact O-N 2.79Å; F102-L129 HydrophobicContact CD2-CD2 3.92Å; F102-L129 HydrophobicContact CE2-CD2 3.98Å; F102-Q132 HydrophobicContact CD2-CB 4.03Å; F102-C139 HydrophobicContact CD1-CB 4.19Å; F102-C139 HydrophobicContact CD2-CB 4.39Å; F102-C139 HydrophobicContact CE1-CB 3.86Å; F102-C139 HydrophobicContact CE2-CB 4.04Å; F102-C139 HydrophobicContact CG-CB 4.45Å; F102-C139 HydrophobicContact CZ-CB 3.78Å; F102-C139 WeakPolarHBondContact CZ-O 3.43Å; F102-E142 HydrophobicContact CE1-CB 4.27Å; F102-E142 HydrophobicContact CZ-CB 4.48Å; F102-M143 HydrophobicContact CZ-CB 4.29Å
103H95.5Very high95.3Very high25 Ų2534.1 Ų34.112%0.11616%0.16CC..Hα-helixtrans-63.6-34.7178.6-67.7162.4000113Y99 L100 Y101 Q107 E142 E175Y99-H103 PolarHBondContact O-N 3.34Å; L100-H103 PolarHBondContact O-N 3.31Å; Y101-H103 PolarHBondContact O-N 3.44Å; H103-Q107 WeakPolarHBondContact O-CB 3.03Å; H103-Q107 PolarHBondContact O-N 2.98Å; H103-E142 IonicContact CD2-OE2 2.68Å; H103-E142 IonicContact NE2-OE2 2.95Å; H103-E175 IonicContact CE1-OE2 3.96Å; H103-E175 IonicContact CG-OE2 3.63Å; H103-E175 IonicContact ND1-OE1 3.73Å; H103-E175 IonicContact ND1-OE2 3.55Å; H103-E175 PolarHBondContact ND1-OE2 3.49Å
104L97.1Very high95.2Very high0 Ų037.1 Ų37.10%017%0.171CC..Hα-helixtrans-64.1-47.2172.1-77.9164.3000111I74 I79 I83 I86 L94 L100 Y101 F102 Q106 Q107 H108 V172 V176I74-L104 HydrophobicContact CD1-CD2 4.3Å; I79-L104 HydrophobicContact CG2-CB 4.35Å; I79-L104 HydrophobicContact CG2-CD2 4.06Å; I79-L104 VanDerWaalsContact CG2-O 3.24Å; I79-L104 WeakPolarHBondContact CG2-O 3.39Å; I83-L104 HydrophobicContact CD1-CB 4.05Å; I83-L104 HydrophobicContact CG1-CB 4.12Å; I83-L104 HydrophobicContact CG1-CD1 4.11Å; I83-L104 HydrophobicContact CG1-CD2 4.49Å; I83-L104 HydrophobicContact CG1-CG 4.49Å; I86-L104 HydrophobicContact CD1-CD1 4.21Å; L94-L104 HydrophobicContact CD1-CD1 4.22Å; L94-L104 HydrophobicContact CD2-CD1 3.74Å; L100-L104 HydrophobicContact CG-CD1 4.35Å; L100-L104 PolarHBondContact O-N 2.79Å; Y101-L104 WeakPolarHBondContact O-CB 3.3Å; Y101-L104 PolarHBondContact O-N 2.95Å; F102-L104 VanDerWaalsContact C-N 3.31Å; F102-L104 PolarHBondContact O-N 2.99Å; L104-Q106 PolarHBondContact O-N 3.44Å; L104-Q107 WeakPolarHBondContact O-CB 3.43Å; L104-Q107 PolarHBondContact O-N 3.42Å; L104-Q107 VanDerWaalsContact O-N 3.16Å; L104-H108 PolarHBondContact O-N 3.02Å; L104-V172 HydrophobicContact CD2-CG1 3.74Å; L104-V172 HydrophobicContact CG-CG1 4.34Å; L104-V176 HydrophobicContact CD1-CG2 4.11Å; L104-V176 HydrophobicContact CD2-CG2 3.93Å; L104-V176 HydrophobicContact CG-CG2 4.21Å
105Q95.7Very high95.2Very high7 Ų742.3 Ų42.33%0.03320%0.195CC..Hα-helixtrans-66.1-39.7178.2-64-57.55.100112.4Y101 F102 Q107 H108 L109 F124 L129Y101-Q105 HydrophobicContact CD1-CG 4.13Å; Y101-Q105 HydrophobicContact CE1-CG 3.79Å; Y101-Q105 HydrophobicContact CE2-CG 4.42Å; Y101-Q105 WeakPolarHBondContact O-CG 3.49Å; Y101-Q105 PolarHBondContact O-N 3.09Å; Y101-Q105 PolarHBondContact OH-NE2 3.3Å; F102-Q105 PolarHBondContact O-N 2.97Å; F102-Q105 VanDerWaalsContact O-N 3.17Å; Q105-Q107 VanDerWaalsContact C-N 3.29Å; Q105-Q107 PolarHBondContact O-N 3.28Å; Q105-H108 WeakPolarHBondContact O-CB 3.23Å; Q105-H108 PolarHBondContact O-N 3Å; Q105-H108 VanDerWaalsContact O-N 3.16Å; Q105-L109 PolarHBondContact O-N 3.33Å; Q105-F124 HydrophobicContact CB-CE1 4.28Å; Q105-F124 HydrophobicContact CB-CZ 3.92Å; Q105-F124 HydrophobicContact CG-CZ 4.36Å; Q105-F124 WeakPolarHBondContact O-CE1 3.44Å; Q105-L129 HydrophobicContact CB-CD2 3.66Å
106Q95.3Very high95.2Very high4 Ų442.1 Ų42.12%0.01919%0.186CC..Hα-helixtrans-59-42.1171.4-172.8-162.125.400111F102 L104 H108 L109 I110 E142 T146F102-Q106 WeakPolarHBondContact O-CB 3.42Å; F102-Q106 PolarHBondContact O-N 2.79Å; L104-Q106 PolarHBondContact O-N 3.44Å; Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 3.08Å; Q106-L109 WeakPolarHBondContact O-CB 3.45Å; Q106-L109 PolarHBondContact O-N 2.89Å; Q106-I110 HydrophobicContact CG-CD1 4.39Å; Q106-I110 WeakPolarHBondContact O-CG1 3.44Å; Q106-I110 PolarHBondContact O-N 3.24Å; Q106-E142 PolarHBondContact NE2-O 3.24Å; Q106-E142 PolarHBondContact OE1-OE2 3.11Å; Q106-T146 HydrophobicContact CG-CG2 4.4Å; Q106-T146 WeakPolarHBondContact CG-OG1 3.28Å; Q106-T146 PolarHBondContact NE2-OG1 3.07Å
107Q97.5Very high95.3Very high0 Ų041.7 Ų41.70%018%0.177CC..Hα-helixtrans-62.7-41.3175.8-17158.235.600111.6I79 H103 L104 Q105 L109 I110 E111 V172I79-Q107 HydrophobicContact CD1-CB 4.29Å; I79-Q107 HydrophobicContact CD1-CG 3.6Å; I79-Q107 HydrophobicContact CG1-CB 4.26Å; I79-Q107 HydrophobicContact CG1-CG 3.84Å; H103-Q107 WeakPolarHBondContact O-CB 3.03Å; H103-Q107 PolarHBondContact O-N 2.98Å; L104-Q107 WeakPolarHBondContact O-CB 3.43Å; L104-Q107 PolarHBondContact O-N 3.42Å; L104-Q107 VanDerWaalsContact O-N 3.16Å; Q105-Q107 VanDerWaalsContact C-N 3.29Å; Q105-Q107 PolarHBondContact O-N 3.28Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 3.28Å; Q107-I110 WeakPolarHBondContact O-CB 3.37Å; Q107-I110 PolarHBondContact O-N 3.42Å; Q107-I110 VanDerWaalsContact O-N 3.17Å; Q107-E111 PolarHBondContact NE2-OE1 3.02Å; Q107-E111 WeakPolarHBondContact O-CG 3.31Å; Q107-E111 PolarHBondContact O-N 3.08Å; Q107-V172 HydrophobicContact CB-CG1 4.47Å; Q107-V172 HydrophobicContact CB-CG2 4.07Å; Q107-V172 HydrophobicContact CG-CG2 4.22Å
108H97.3Very high95.3Very high36 Ų3642.4 Ų42.417%0.16718%0.183CC..Hα-helixtrans-59.9-43.5174.5-178.457.8000111.9I79 Q80 L104 Q105 Q106 I110 E111 L112 F124I79-H108 HydrophobicContact CB-CB 4.05Å; I79-H108 HydrophobicContact CG2-CB 4.11Å; Q80-H108 PolarHBondContact NE2-CD2 3.48Å; L104-H108 PolarHBondContact O-N 3.02Å; Q105-H108 WeakPolarHBondContact O-CB 3.23Å; Q105-H108 PolarHBondContact O-N 3Å; Q105-H108 VanDerWaalsContact O-N 3.16Å; Q106-H108 VanDerWaalsContact C-N 3.33Å; Q106-H108 PolarHBondContact O-N 3.08Å; H108-I110 VanDerWaalsContact C-N 3.31Å; H108-I110 PolarHBondContact O-N 3.11Å; H108-E111 WeakPolarHBondContact O-CA 3.47Å; H108-E111 WeakPolarHBondContact O-CB 3.33Å; H108-E111 PolarHBondContact O-N 2.57Å; H108-L112 PolarHBondContact O-N 2.85Å; H108-F124 HydrophobicContact CB-CZ 4.44Å; H108-F124 AromaticContact CD2-CD2 3.8Å; H108-F124 AromaticContact CD2-CE2 3.52Å; H108-F124 AromaticContact CD2-CZ 3.69Å
109L96.3Very high95.4Very high0 Ų043.8 Ų43.80%020%0.195CC..Hα-helixtrans-57.4-43.6173.2176.660.6000111.8Q105 Q106 Q107 E111 L112 I113 A121 F124 A125 L129 T146 L147Q105-L109 PolarHBondContact O-N 3.33Å; Q106-L109 WeakPolarHBondContact O-CB 3.45Å; Q106-L109 PolarHBondContact O-N 2.89Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 3.28Å; L109-E111 VanDerWaalsContact C-N 3.26Å; L109-E111 PolarHBondContact O-N 3.41Å; L109-L112 PolarHBondContact O-N 3.33Å; L109-I113 HydrophobicContact CD1-CD1 4.23Å; L109-I113 HydrophobicContact CD1-CG1 4.43Å; L109-I113 HydrophobicContact CG-CD1 4.04Å; L109-I113 VanDerWaalsContact O-CG1 3.28Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.18Å; L109-A121 HydrophobicContact CD1-CB 3.66Å; L109-A121 VanDerWaalsContact CD1-O 3.24Å; L109-A121 WeakPolarHBondContact CD1-O 3.46Å; L109-F124 HydrophobicContact CB-CD1 4Å; L109-F124 HydrophobicContact CB-CE1 4.11Å; L109-F124 HydrophobicContact CD1-CD1 4.33Å; L109-A125 HydrophobicContact CD1-CB 4.42Å; L109-A125 HydrophobicContact CD2-CB 4.18Å; L109-L129 HydrophobicContact CB-CD1 4.22Å; L109-L129 HydrophobicContact CD2-CD1 3.64Å; L109-T146 HydrophobicContact CB-CG2 4.38Å; L109-T146 HydrophobicContact CD2-CG2 3.56Å; L109-T146 HydrophobicContact CG-CG2 3.77Å; L109-L147 HydrophobicContact CD2-CD2 4.17Å
110I97Very high95.6Very high0 Ų039.3 Ų39.30%019%0.185CC..Hα-helixtrans-59.9-37.6174.8-68167.4000111.1Q106 Q107 H108 I113 R114 T146 L163 L164 Q168Q106-I110 HydrophobicContact CG-CD1 4.39Å; Q106-I110 WeakPolarHBondContact O-CG1 3.44Å; Q106-I110 PolarHBondContact O-N 3.24Å; Q107-I110 WeakPolarHBondContact O-CB 3.37Å; Q107-I110 PolarHBondContact O-N 3.42Å; Q107-I110 VanDerWaalsContact O-N 3.17Å; H108-I110 VanDerWaalsContact C-N 3.31Å; H108-I110 PolarHBondContact O-N 3.11Å; I110-I113 PolarHBondContact O-N 2.77Å; I110-R114 WeakPolarHBondContact O-CB 3.33Å; I110-R114 PolarHBondContact O-N 3.15Å; I110-T146 HydrophobicContact CD1-CG2 4.47Å; I110-T146 HydrophobicContact CG1-CG2 3.65Å; I110-L163 HydrophobicContact CD1-CB 4.17Å; I110-L163 WeakPolarHBondContact CG2-O 3.41Å; I110-L164 HydrophobicContact CG2-CD2 3.86Å; I110-Q168 HydrophobicContact CD1-CG 4.12Å
111E97.3Very high95.6Very high4 Ų439.1 Ų39.12%0.01918%0.184CC..Hα-helixtrans-68.4-39.4176.3-60.2-48.1153.800113I79 Q107 H108 L109 I113 R114 Q115 R169I79-E111 HydrophobicContact CG1-CG 4.11Å; Q107-E111 PolarHBondContact NE2-OE1 3.02Å; Q107-E111 WeakPolarHBondContact O-CG 3.31Å; Q107-E111 PolarHBondContact O-N 3.08Å; H108-E111 WeakPolarHBondContact O-CA 3.47Å; H108-E111 WeakPolarHBondContact O-CB 3.33Å; H108-E111 PolarHBondContact O-N 2.57Å; L109-E111 VanDerWaalsContact C-N 3.26Å; L109-E111 PolarHBondContact O-N 3.41Å; E111-I113 VanDerWaalsContact C-N 3.34Å; E111-I113 PolarHBondContact O-N 3.34Å; E111-R114 WeakPolarHBondContact O-CB 3.45Å; E111-R114 PolarHBondContact O-N 3.46Å; E111-R114 WeakPolarHBondContact OE2-CD 3.47Å; E111-R114 IonicContact OE2-CZ 2.91Å; E111-R114 IonicContact OE2-NE 3.62Å; E111-R114 PolarHBondContact OE2-NE 3.32Å; E111-Q115 VanDerWaalsContact O-CG 3.3Å; E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 3.28Å; E111-R169 IonicContact OE1-CZ 3.55Å; E111-R169 IonicContact OE1-NE 3.18Å; E111-R169 PolarHBondContact OE1-NE 2.83Å; E111-R169 IonicContact OE1-NH2 2.77Å; E111-R169 PolarHBondContact OE1-NH2 3.32Å; E111-R169 IonicContact OE2-CZ 2.6Å; E111-R169 IonicContact OE2-NE 3.41Å; E111-R169 IonicContact OE2-NH2 2.72Å; E111-R169 PolarHBondContact OE2-NH2 2.82Å
112L96.8Very high95.6Very high13 Ų1339.9 Ų39.97%0.06819%0.192CC..Hα-helixtrans-61-44.2173-64.7173000111.1H108 L109 R114 Q115 R116 E117 A120 A121 F124H108-L112 PolarHBondContact O-N 2.85Å; L109-L112 PolarHBondContact O-N 3.33Å; L112-R114 PolarHBondContact O-N 3.11Å; L112-Q115 CarbonylContact O-C 3.47Å; L112-Q115 PolarHBondContact O-N 3.22Å; L112-R116 PolarHBondContact O-N 2.91Å; L112-R116 VanDerWaalsContact O-N 3.15Å; L112-E117 HydrophobicContact CD2-CB 4.44Å; L112-E117 WeakPolarHBondContact CD2-OE2 3.28Å; L112-E117 PolarHBondContact O-N 3Å; L112-A120 HydrophobicContact CD2-CB 4.29Å; L112-A121 HydrophobicContact CB-CB 3.89Å; L112-A121 HydrophobicContact CD1-CB 4.5Å; L112-F124 HydrophobicContact CD1-CB 3.89Å; L112-F124 HydrophobicContact CD1-CD1 4.47Å; L112-F124 HydrophobicContact CD1-CG 4.12Å
113I96Very high95.6Very high5 Ų545.9 Ų45.93%0.02622%0.22CC..Hα-helixtrans-61.3-45175.9-65.9168.5000110.7L109 I110 E111 Q115 R116 A121 T146 L149 L150 P155 L164L109-I113 HydrophobicContact CD1-CD1 4.23Å; L109-I113 HydrophobicContact CD1-CG1 4.43Å; L109-I113 HydrophobicContact CG-CD1 4.04Å; L109-I113 VanDerWaalsContact O-CG1 3.28Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 3.18Å; I110-I113 PolarHBondContact O-N 2.77Å; E111-I113 VanDerWaalsContact C-N 3.34Å; E111-I113 PolarHBondContact O-N 3.34Å; I113-Q115 VanDerWaalsContact C-N 3.26Å; I113-Q115 PolarHBondContact O-N 3.27Å; I113-R116 PolarHBondContact O-N 3.48Å; I113-A121 HydrophobicContact CG1-CB 4.12Å; I113-T146 HydrophobicContact CD1-CG2 3.95Å; I113-T146 WeakPolarHBondContact CD1-O 3.2Å; I113-L149 HydrophobicContact CD1-CB 4.22Å; I113-L149 HydrophobicContact CD1-CD1 4.25Å; I113-L149 HydrophobicContact CG2-CB 3.98Å; I113-L149 HydrophobicContact CG2-CD1 4.35Å; I113-L150 HydrophobicContact CD1-CD2 4.24Å; I113-L150 HydrophobicContact CD1-CG 4.13Å; I113-L150 HydrophobicContact CG1-CD2 3.71Å; I113-L150 HydrophobicContact CG1-CG 4.16Å; I113-P155 HydrophobicContact CG2-CB 4.34Å; I113-P155 HydrophobicContact CG2-CG 4.35Å; I113-L164 HydrophobicContact CG2-CD2 4.42Å
114R94.6Very high95.5Very high69 Ų6945.9 Ų45.926%0.2622%0.22SC..Hα-helixtrans-59.3-37.2177.1-172.9-167.1-60.6-85-3.6112.1I110 E111 L112 R116 L164I110-R114 WeakPolarHBondContact O-CB 3.33Å; I110-R114 PolarHBondContact O-N 3.15Å; E111-R114 WeakPolarHBondContact O-CB 3.45Å; E111-R114 PolarHBondContact O-N 3.46Å; E111-R114 WeakPolarHBondContact OE2-CD 3.47Å; E111-R114 IonicContact OE2-CZ 2.91Å; E111-R114 IonicContact OE2-NE 3.62Å; E111-R114 PolarHBondContact OE2-NE 3.32Å; L112-R114 PolarHBondContact O-N 3.11Å; R114-R116 VanDerWaalsContact C-N 3.25Å; R114-R116 PolarHBondContact O-N 3.41Å; R114-L164 HydrophobicContact CB-CD2 4.06Å; R114-L164 PolarHBondContact NH1-O 2.81Å; R114-L164 PolarHBondContact NH2-O 2.84Å
115Q94.6Very high95.3Very high113 Ų11346.2 Ų46.253%0.52822%0.223SC..THydrogen-bonded Turntrans-81.8-1.9178.8-67.1172.218.800113.4E111 L112 I113 E117E111-Q115 VanDerWaalsContact O-CG 3.3Å; E111-Q115 WeakPolarHBondContact O-CG 3.41Å; E111-Q115 PolarHBondContact O-N 3.28Å; L112-Q115 CarbonylContact O-C 3.47Å; L112-Q115 PolarHBondContact O-N 3.22Å; I113-Q115 VanDerWaalsContact C-N 3.26Å; I113-Q115 PolarHBondContact O-N 3.27Å; Q115-E117 HydrophobicContact CB-CG 4.02Å; Q115-E117 PolarHBondContact O-N 3.11Å
116R94.3Very high95Very high114 Ų11452.7 Ų52.743%0.4325%0.253SS..THydrogen-bonded Turntrans63.726.4-177-48.5-56.8-178.6133.2-1.2113.5L112 I113 R114 T118 D153 P155 E156L112-R116 PolarHBondContact O-N 2.91Å; L112-R116 VanDerWaalsContact O-N 3.15Å; I113-R116 PolarHBondContact O-N 3.48Å; R114-R116 VanDerWaalsContact C-N 3.25Å; R114-R116 PolarHBondContact O-N 3.41Å; R116-T118 PolarHBondContact O-N 3.01Å; R116-D153 PolarHBondContact NH1-O 2.91Å; R116-P155 VanDerWaalsContact CZ-CD 3.49Å; R116-E156 IonicContact CZ-OE1 3.55Å; R116-E156 IonicContact CZ-OE2 3.77Å; R116-E156 IonicContact NE-OE1 2.66Å; R116-E156 IonicContact NH2-OE1 3.55Å; R116-E156 PolarHBondContact NH2-OE1 3.27Å; R116-E156 IonicContact NH2-OE2 3.69Å; R116-E156 PolarHBondContact NH2-OE2 3.43Å
117E95.2Very high94.7Very high92 Ų9256 Ų5643%0.4327%0.273SS..  trans-85.362.7174.9-59.8-170.1172.900110.3L112 Q115 E119 A120 A121L112-E117 HydrophobicContact CD2-CB 4.44Å; L112-E117 WeakPolarHBondContact CD2-OE2 3.28Å; L112-E117 PolarHBondContact O-N 3Å; Q115-E117 HydrophobicContact CB-CG 4.02Å; Q115-E117 PolarHBondContact O-N 3.11Å; E117-E119 VanDerWaalsContact C-N 3.34Å; E117-E119 PolarHBondContact O-N 2.78Å; E117-A120 HydrophobicContact CB-CB 4.09Å; E117-A120 PolarHBondContact O-N 2.93Å; E117-A121 WeakPolarHBondContact O-CB 3.49Å; E117-A121 PolarHBondContact O-N 3.15Å
118T92.6Very high94.1Very high72 Ų7260.3 Ų60.344%0.44229%0.294SS..Hα-helixtrans-56.3-43.1-172.4-54.80000113.2R116 A121 L122 L150R116-T118 PolarHBondContact O-N 3.01Å; T118-A121 PolarHBondContact O-N 3.08Å; T118-L122 HydrophobicContact CG2-CD1 4.25Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.25Å; T118-L150 HydrophobicContact CG2-CD2 4.14Å
119E94.3Very high93.4Very high171 Ų17158.7 Ų58.780%0.79929%0.286SS*.Hα-helixtrans-65-46.6179.9-66.9-177.7174.500111.4E117 A121 L122 E123E117-E119 VanDerWaalsContact C-N 3.34Å; E117-E119 PolarHBondContact O-N 2.78Å; E119-A121 VanDerWaalsContact C-N 3.34Å; E119-A121 PolarHBondContact O-N 2.72Å; E119-L122 PolarHBondContact O-N 3.17Å; E119-E123 PolarHBondContact O-N 2.94Å
120A95.8Very high92.3Very high35 Ų3560.7 Ų60.729%0.28930%0.303SS..Hα-helixtrans-63.8-40.1176.900000111.7L112 E117 L122 E123 F124L112-A120 HydrophobicContact CD2-CB 4.29Å; E117-A120 HydrophobicContact CB-CB 4.09Å; E117-A120 PolarHBondContact O-N 2.93Å; A120-L122 PolarHBondContact O-N 3.29Å; A120-E123 PolarHBondContact O-N 3.29Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 3.45Å
121A95.6Very high91.3Very high0 Ų068.2 Ų68.20%034%0.338CS..Hα-helixtrans-60.6-43.8175.600000112.1L109 L112 I113 E117 T118 E119 A125 L150L109-A121 HydrophobicContact CD1-CB 3.66Å; L109-A121 VanDerWaalsContact CD1-O 3.24Å; L109-A121 WeakPolarHBondContact CD1-O 3.46Å; L112-A121 HydrophobicContact CB-CB 3.89Å; L112-A121 HydrophobicContact CD1-CB 4.5Å; I113-A121 HydrophobicContact CG1-CB 4.12Å; E117-A121 WeakPolarHBondContact O-CB 3.49Å; E117-A121 PolarHBondContact O-N 3.15Å; T118-A121 PolarHBondContact O-N 3.08Å; E119-A121 VanDerWaalsContact C-N 3.34Å; E119-A121 PolarHBondContact O-N 2.72Å; A121-A125 WeakPolarHBondContact O-CB 3.4Å; A121-A125 PolarHBondContact O-N 2.89Å; A121-L150 HydrophobicContact CB-CD2 4.07Å
122L94Very high90Very high75 Ų7569.5 Ų69.539%0.39334%0.344SS..Hα-helixtrans-66.9-46.3177.4-74.9170.8000112T118 E119 A120 F124 A125 Q126 L150T118-L122 HydrophobicContact CG2-CD1 4.25Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.25Å; E119-L122 PolarHBondContact O-N 3.17Å; A120-L122 PolarHBondContact O-N 3.29Å; L122-F124 VanDerWaalsContact C-N 3.33Å; L122-F124 PolarHBondContact O-N 2.92Å; L122-A125 PolarHBondContact O-N 2.88Å; L122-Q126 WeakPolarHBondContact O-CB 3.42Å; L122-Q126 VanDerWaalsContact O-CG 3.28Å; L122-Q126 WeakPolarHBondContact O-CG 3.29Å; L122-Q126 PolarHBondContact O-N 3.37Å; L122-L150 HydrophobicContact CD2-CD1 3.73Å; L122-L150 HydrophobicContact CG-CD1 4.14Å
123E94.7Very high88.4Confident129 Ų12968.9 Ų68.960%0.60334%0.34SS*.Hα-helixtrans-60.1-45.4176.7-177.2177.1-173.200111E119 A120 Q126 T127E119-E123 PolarHBondContact O-N 2.94Å; A120-E123 PolarHBondContact O-N 3.29Å; E123-Q126 PolarHBondContact O-N 2.72Å; E123-T127 HydrophobicContact CG-CG2 4.4Å; E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 WeakPolarHBondContact O-CG2 3.29Å; E123-T127 PolarHBondContact O-N 3.08Å; E123-T127 PolarHBondContact O-OG1 2.84Å
124F94.2Very high87Confident24 Ų2476.7 Ų76.711%0.10538%0.377CS..Hα-helixtrans-61.7-46178.3-179-94.8000112Q105 H108 L109 L112 A120 L122 Q126 T127 Q128 L129Q105-F124 HydrophobicContact CB-CE1 4.28Å; Q105-F124 HydrophobicContact CB-CZ 3.92Å; Q105-F124 HydrophobicContact CG-CZ 4.36Å; Q105-F124 WeakPolarHBondContact O-CE1 3.44Å; H108-F124 HydrophobicContact CB-CZ 4.44Å; H108-F124 AromaticContact CD2-CD2 3.8Å; H108-F124 AromaticContact CD2-CE2 3.52Å; H108-F124 AromaticContact CD2-CZ 3.69Å; L109-F124 HydrophobicContact CB-CD1 4Å; L109-F124 HydrophobicContact CB-CE1 4.11Å; L109-F124 HydrophobicContact CD1-CD1 4.33Å; L112-F124 HydrophobicContact CD1-CB 3.89Å; L112-F124 HydrophobicContact CD1-CD1 4.47Å; L112-F124 HydrophobicContact CD1-CG 4.12Å; A120-F124 WeakPolarHBondContact O-CB 3.46Å; A120-F124 PolarHBondContact O-N 3.45Å; L122-F124 VanDerWaalsContact C-N 3.33Å; L122-F124 PolarHBondContact O-N 2.92Å; F124-Q126 VanDerWaalsContact C-N 3.34Å; F124-Q126 PolarHBondContact O-N 3.5Å; F124-T127 PolarHBondContact O-N 2.65Å; F124-T127 PolarHBondContact O-OG1 3.48Å; F124-Q128 HydrophobicContact CD2-CB 4.27Å; F124-Q128 HydrophobicContact CD2-CG 3.8Å; F124-Q128 HydrophobicContact CE1-CB 4.44Å; F124-Q128 HydrophobicContact CE2-CB 3.88Å; F124-Q128 HydrophobicContact CE2-CG 3.59Å; F124-Q128 HydrophobicContact CZ-CB 3.95Å; F124-Q128 HydrophobicContact CZ-CG 4.19Å; F124-Q128 WeakPolarHBondContact O-CB 3.37Å; F124-Q128 PolarHBondContact O-N 3.05Å; F124-L129 HydrophobicContact CD1-CD1 4.33Å; F124-L129 HydrophobicContact CE1-CD1 3.98Å; F124-L129 HydrophobicContact CE1-CG 4.08Å
125A92.3Very high86Confident8 Ų878.2 Ų78.27%0.06639%0.387CS..Iπ-helixtrans-62.8-39.9178.100000112.7L109 A121 L122 L129 A130 L147L109-A125 HydrophobicContact CD1-CB 4.42Å; L109-A125 HydrophobicContact CD2-CB 4.18Å; A121-A125 WeakPolarHBondContact O-CB 3.4Å; A121-A125 PolarHBondContact O-N 2.89Å; L122-A125 PolarHBondContact O-N 2.88Å; A125-L129 PolarHBondContact O-N 3.48Å; A125-A130 PolarHBondContact O-N 2.74Å; A125-A130 VanDerWaalsContact O-N 3.15Å; A125-L147 HydrophobicContact CB-CD2 3.69Å
126Q90.2Very high85.4Confident142 Ų14273.2 Ų73.266%0.66437%0.365SS*.Iπ-helixtrans-70-36.5179.3-73.2175.35.600113L122 E123 F124 A130L122-Q126 WeakPolarHBondContact O-CB 3.42Å; L122-Q126 VanDerWaalsContact O-CG 3.28Å; L122-Q126 WeakPolarHBondContact O-CG 3.29Å; L122-Q126 PolarHBondContact O-N 3.37Å; E123-Q126 PolarHBondContact O-N 2.72Å; F124-Q126 VanDerWaalsContact C-N 3.34Å; F124-Q126 PolarHBondContact O-N 3.5Å; Q126-A130 WeakPolarHBondContact O-CB 3.27Å
127T89Confident85Confident74 Ų7476.7 Ų76.745%0.45438%0.378SS..Iπ-helixtrans-91.6-37.4-172.654.10000113.4E123 F124E123-T127 HydrophobicContact CG-CG2 4.4Å; E123-T127 WeakPolarHBondContact O-CB 3.46Å; E123-T127 WeakPolarHBondContact O-CG2 3.29Å; E123-T127 PolarHBondContact O-N 3.08Å; E123-T127 PolarHBondContact O-OG1 2.84Å; F124-T127 PolarHBondContact O-N 2.65Å; F124-T127 PolarHBondContact O-OG1 3.48Å
128Q84.6Confident84.7Confident91 Ų9177.2 Ų77.243%0.42538%0.38SS..Iπ-helixtrans-105.8-38.6-171.5-59.1-62.4-27.300113.2F124F124-Q128 HydrophobicContact CD2-CB 4.27Å; F124-Q128 HydrophobicContact CD2-CG 3.8Å; F124-Q128 HydrophobicContact CE1-CB 4.44Å; F124-Q128 HydrophobicContact CE2-CB 3.88Å; F124-Q128 HydrophobicContact CE2-CG 3.59Å; F124-Q128 HydrophobicContact CZ-CB 3.95Å; F124-Q128 HydrophobicContact CZ-CG 4.19Å; F124-Q128 WeakPolarHBondContact O-CB 3.37Å; F124-Q128 PolarHBondContact O-N 3.05Å
129L81.7Confident84.5Confident1 Ų174.1 Ų74.11%0.00536%0.361CS..Iπ-helixtrans-93.9-25.1-172.6-69173.7000113.6F102 Q105 L109 F124 A125 E131 Q132 G133 M143F102-L129 HydrophobicContact CD2-CD2 3.92Å; F102-L129 HydrophobicContact CE2-CD2 3.98Å; Q105-L129 HydrophobicContact CB-CD2 3.66Å; L109-L129 HydrophobicContact CB-CD1 4.22Å; L109-L129 HydrophobicContact CD2-CD1 3.64Å; F124-L129 HydrophobicContact CD1-CD1 4.33Å; F124-L129 HydrophobicContact CE1-CD1 3.98Å; F124-L129 HydrophobicContact CE1-CG 4.08Å; A125-L129 PolarHBondContact O-N 3.48Å; L129-E131 VanDerWaalsContact C-N 3.28Å; L129-E131 PolarHBondContact O-N 2.89Å; L129-Q132 PolarHBondContact O-N 3.46Å; L129-Q132 VanDerWaalsContact O-N 3.07Å; L129-G133 PolarHBondContact O-N 3.47Å; L129-M143 HydrophobicContact CB-SD 3.86Å
130A74.3Confident84.2Confident42 Ų4268.9 Ų68.935%0.34734%0.339SS..Hα-helixtrans-56.5-42.1-179.200000112.4A125 Q126 Q132A125-A130 PolarHBondContact O-N 2.74Å; A125-A130 VanDerWaalsContact O-N 3.15Å; Q126-A130 WeakPolarHBondContact O-CB 3.27Å; A130-Q132 VanDerWaalsContact C-N 3.35Å; A130-Q132 PolarHBondContact O-N 3.32Å
131E74.9Confident84Confident159 Ų15970.6 Ų70.674%0.74335%0.345SS*.Hα-helixtrans-70-31178.4-61.9-173170.900112.7L129L129-E131 VanDerWaalsContact C-N 3.28Å; L129-E131 PolarHBondContact O-N 2.89Å
132Q70.4Confident83.9Confident30 Ų3073.1 Ų73.114%0.1436%0.357CS..Hα-helixtrans-84.3-31.1-177.2-58.4-143.8-55.300113.3Y101 F102 L129 A130 E134 E135Y101-Q132 VanDerWaalsContact CD1-NE2 3.3Å; F102-Q132 HydrophobicContact CD2-CB 4.03Å; L129-Q132 PolarHBondContact O-N 3.46Å; L129-Q132 VanDerWaalsContact O-N 3.07Å; A130-Q132 VanDerWaalsContact C-N 3.35Å; A130-Q132 PolarHBondContact O-N 3.32Å; Q132-E134 PolarHBondContact O-N 3.3Å; Q132-E135 PolarHBondContact O-N 2.91Å
133G63.2Low83.7Confident0 Ų070.9 Ų70.90%035%0.345CS..Hα-helixtrans-59.4-37179.800000112.2L129 E135 S136 L140L129-G133 PolarHBondContact O-N 3.47Å; G133-E135 PolarHBondContact O-N 3.09Å; G133-E135 VanDerWaalsContact O-N 3.12Å; G133-S136 PolarHBondContact O-N 2.86Å; G133-L140 WeakPolarHBondContact O-CD2 3.29Å; G133-L140 WeakPolarHBondContact O-CG 3.45Å
134E66.3Low83.6Confident169 Ų16970.8 Ų70.879%0.7935%0.345SS*.THydrogen-bonded Turntrans-66.6-15.6-176.1-63.4-172172.600114.2Q132Q132-E134 PolarHBondContact O-N 3.3Å
135E73.6Confident83.7Confident101 Ų10174.2 Ų74.247%0.47236%0.357SS..THydrogen-bonded Turntrans-76-26.7-175.7-59.9-166.2156.500113.5R98 Q132 G133R98-E135 VanDerWaalsContact CD-OE2 3.28Å; R98-E135 WeakPolarHBondContact CD-OE2 3.5Å; R98-E135 IonicContact CZ-OE1 3.48Å; R98-E135 IonicContact NH1-OE1 2.76Å; R98-E135 PolarHBondContact NH1-OE1 3.22Å; R98-E135 IonicContact NH1-OE2 3.38Å; Q132-E135 PolarHBondContact O-N 2.91Å; G133-E135 PolarHBondContact O-N 3.09Å; G133-E135 VanDerWaalsContact O-N 3.12Å
136S81.9Confident83.8Confident9 Ų973.9 Ų73.96%0.06335%0.354CS..  trans-150.5136.1-176.2159.50000112G133 E138 C139 L140G133-S136 PolarHBondContact O-N 2.86Å; S136-E138 PolarHBondContact O-N 3.19Å; S136-E138 WeakPolarHBondContact OG-CB 3.4Å; S136-E138 PolarHBondContact OG-N 3.34Å; S136-E138 VanDerWaalsContact OG-N 3.14Å; S136-E138 PolarHBondContact OG-OE2 3.22Å; S136-C139 WeakPolarHBondContact O-CB 3.43Å; S136-C139 PolarHBondContact O-N 3.36Å; S136-C139 PolarHBondContact OG-N 3.4Å; S136-L140 PolarHBondContact O-N 3.43Å
137R86.9Confident83.9Confident186 Ų18669.7 Ų69.770%0.70234%0.336SS*.Hα-helixtrans-61.4-33.4175.3-171.4-177.267.1127.75.6112.1T141R137-T141 PolarHBondContact O-N 3.03Å; R137-T141 PolarHBondContact O-OG1 3.3Å
138E88.7Confident84.2Confident103 Ų10367.6 Ų67.648%0.48133%0.326SS..Hα-helixtrans-65.1-47.5176-63.665.6-143.900109.9S136 L140 T141 E142S136-E138 PolarHBondContact O-N 3.19Å; S136-E138 WeakPolarHBondContact OG-CB 3.4Å; S136-E138 PolarHBondContact OG-N 3.34Å; S136-E138 VanDerWaalsContact OG-N 3.14Å; S136-E138 PolarHBondContact OG-OE2 3.22Å; E138-L140 PolarHBondContact O-N 3.07Å; E138-T141 PolarHBondContact O-N 2.69Å; E138-E142 WeakPolarHBondContact O-CG 3.36Å; E138-E142 PolarHBondContact O-N 3.16Å
139C88.6Confident84.8Confident7 Ų763.2 Ų63.25%0.04731%0.306CS..Hα-helixtrans-59.8-42.1174.7-64.50000112.5F102 S136 T141 E142 M143F102-C139 HydrophobicContact CD1-CB 4.19Å; F102-C139 HydrophobicContact CD2-CB 4.39Å; F102-C139 HydrophobicContact CE1-CB 3.86Å; F102-C139 HydrophobicContact CE2-CB 4.04Å; F102-C139 HydrophobicContact CG-CB 4.45Å; F102-C139 HydrophobicContact CZ-CB 3.78Å; F102-C139 WeakPolarHBondContact CZ-O 3.43Å; S136-C139 WeakPolarHBondContact O-CB 3.43Å; S136-C139 PolarHBondContact O-N 3.36Å; S136-C139 PolarHBondContact OG-N 3.4Å; C139-T141 PolarHBondContact O-N 3.1Å; C139-E142 PolarHBondContact O-N 3.12Å; C139-M143 WeakPolarHBondContact O-CB 3.49Å; C139-M143 PolarHBondContact O-N 3.01Å
140L88.5Confident85.4Confident62 Ų6265.3 Ų65.333%0.32532%0.316SS..Hα-helixtrans-57.7-47.9174.1-69.8176.2000111.8G133 S136 E138 E142 M143 E144G133-L140 WeakPolarHBondContact O-CD2 3.29Å; G133-L140 WeakPolarHBondContact O-CG 3.45Å; S136-L140 PolarHBondContact O-N 3.43Å; E138-L140 PolarHBondContact O-N 3.07Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.06Å; L140-M143 HydrophobicContact CD2-CE 3.95Å; L140-M143 PolarHBondContact O-N 2.91Å; L140-E144 WeakPolarHBondContact O-CB 3.37Å; L140-E144 WeakPolarHBondContact O-CG 3.43Å; L140-E144 PolarHBondContact O-N 2.65Å
141T91.6Very high86.3Confident70 Ų7067.3 Ų67.343%0.42933%0.333SS..Hα-helixtrans-62-41.1-178.8-54.10000110.9R137 E138 C139 R145R137-T141 PolarHBondContact O-N 3.03Å; R137-T141 PolarHBondContact O-OG1 3.3Å; E138-T141 PolarHBondContact O-N 2.69Å; C139-T141 PolarHBondContact O-N 3.1Å; T141-R145 WeakPolarHBondContact O-CG 3.43Å; T141-R145 PolarHBondContact O-N 3.41Å
142E91.9Very high87.2Confident54 Ų5463.7 Ų63.725%0.25232%0.315SS..Hα-helixtrans-66.8-41.3176.8-71.7-157.6-169.300112.4F102 H103 Q106 E138 C139 L140 R145 T146F102-E142 HydrophobicContact CE1-CB 4.27Å; F102-E142 HydrophobicContact CZ-CB 4.48Å; H103-E142 IonicContact CD2-OE2 2.68Å; H103-E142 IonicContact NE2-OE2 2.95Å; Q106-E142 PolarHBondContact NE2-O 3.24Å; Q106-E142 PolarHBondContact OE1-OE2 3.11Å; E138-E142 WeakPolarHBondContact O-CG 3.36Å; E138-E142 PolarHBondContact O-N 3.16Å; C139-E142 PolarHBondContact O-N 3.12Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.06Å; E142-R145 PolarHBondContact O-N 2.9Å; E142-T146 PolarHBondContact O-N 3.02Å; E142-T146 VanDerWaalsContact O-N 3.08Å; E142-T146 PolarHBondContact O-OG1 2.97Å
143M91.3Very high88.2Confident27 Ų2769.7 Ų69.713%0.13335%0.348CS..Hα-helixtrans-65-43.5176.5-175.1175.466.200112.2F102 L129 C139 L140 R145 T146 L147F102-M143 HydrophobicContact CZ-CB 4.29Å; L129-M143 HydrophobicContact CB-SD 3.86Å; C139-M143 WeakPolarHBondContact O-CB 3.49Å; C139-M143 PolarHBondContact O-N 3.01Å; L140-M143 HydrophobicContact CD2-CE 3.95Å; L140-M143 PolarHBondContact O-N 2.91Å; M143-R145 VanDerWaalsContact C-N 3.31Å; M143-R145 PolarHBondContact O-N 3.27Å; M143-T146 PolarHBondContact O-N 2.6Å; M143-L147 HydrophobicContact CG-CD1 3.94Å; M143-L147 HydrophobicContact CG-CG 4.39Å; M143-L147 WeakPolarHBondContact O-CB 3.48Å; M143-L147 WeakPolarHBondContact O-CG 3.42Å; M143-L147 PolarHBondContact O-N 3.47Å
144E92Very high89.6Confident128 Ų12872.1 Ų72.160%0.59837%0.365SS*.Hα-helixtrans-58-43.8175.9-76175.4166.900111.5L140 L147 A148L140-E144 WeakPolarHBondContact O-CB 3.37Å; L140-E144 WeakPolarHBondContact O-CG 3.43Å; L140-E144 PolarHBondContact O-N 2.65Å; E144-L147 PolarHBondContact O-N 3.37Å; E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.4Å; E144-A148 PolarHBondContact O-N 3.03Å
145R94.9Very high90.9Very high96 Ų9664.3 Ų64.336%0.36233%0.329SS..Hα-helixtrans-62.3-44.2175.6-72.1178.761.4140-0112.1T141 E142 M143 A148 F160 D162 L163T141-R145 WeakPolarHBondContact O-CG 3.43Å; T141-R145 PolarHBondContact O-N 3.41Å; E142-R145 PolarHBondContact O-N 2.9Å; M143-R145 VanDerWaalsContact C-N 3.31Å; M143-R145 PolarHBondContact O-N 3.27Å; R145-A148 PolarHBondContact O-N 3.39Å; R145-F160 HydrophobicContact CB-CD1 4.03Å; R145-F160 HydrophobicContact CB-CE1 4.36Å; R145-F160 HydrophobicContact CG-CD1 3.93Å; R145-F160 HydrophobicContact CG-CE1 3.87Å; R145-D162 IonicContact NH2-OD1 3.35Å; R145-D162 PolarHBondContact NH2-OD1 3.22Å; R145-D162 IonicContact NH2-OD2 3.57Å; R145-D162 PolarHBondContact NH2-OD2 2.99Å; R145-D162 VanDerWaalsContact NH2-OD2 3.1Å; R145-L163 HydrophobicContact CB-CD1 4.13Å
146T94.8Very high91.9Very high0 Ų063.8 Ų63.80%033%0.326CS..Hα-helixtrans-64.7-44.6178.1-58.20000111.4Q106 L109 I110 I113 E142 M143 A148 L149Q106-T146 HydrophobicContact CG-CG2 4.4Å; Q106-T146 WeakPolarHBondContact CG-OG1 3.28Å; Q106-T146 PolarHBondContact NE2-OG1 3.07Å; L109-T146 HydrophobicContact CB-CG2 4.38Å; L109-T146 HydrophobicContact CD2-CG2 3.56Å; L109-T146 HydrophobicContact CG-CG2 3.77Å; I110-T146 HydrophobicContact CD1-CG2 4.47Å; I110-T146 HydrophobicContact CG1-CG2 3.65Å; I113-T146 HydrophobicContact CD1-CG2 3.95Å; I113-T146 WeakPolarHBondContact CD1-O 3.2Å; E142-T146 PolarHBondContact O-N 3.02Å; E142-T146 VanDerWaalsContact O-N 3.08Å; E142-T146 PolarHBondContact O-OG1 2.97Å; M143-T146 PolarHBondContact O-N 2.6Å; T146-A148 VanDerWaalsContact C-N 3.33Å; T146-A148 PolarHBondContact O-N 2.97Å; T146-L149 VanDerWaalsContact O-CB 3.25Å; T146-L149 WeakPolarHBondContact O-CB 3.27Å; T146-L149 WeakPolarHBondContact O-CG 3.34Å; T146-L149 PolarHBondContact O-N 2.85Å
147L93.5Very high92.5Very high55 Ų5571.4 Ų71.429%0.28836%0.361SS..Hα-helixtrans-67.9-32.7178.6-74.2173.2000112.7L109 A125 M143 E144 L149 L150L109-L147 HydrophobicContact CD2-CD2 4.17Å; A125-L147 HydrophobicContact CB-CD2 3.69Å; M143-L147 HydrophobicContact CG-CD1 3.94Å; M143-L147 HydrophobicContact CG-CG 4.39Å; M143-L147 WeakPolarHBondContact O-CB 3.48Å; M143-L147 WeakPolarHBondContact O-CG 3.42Å; M143-L147 PolarHBondContact O-N 3.47Å; E144-L147 PolarHBondContact O-N 3.37Å; L147-L149 PolarHBondContact O-N 2.88Å; L147-L149 VanDerWaalsContact O-N 3.15Å; L147-L150 HydrophobicContact CD2-CD1 3.83Å; L147-L150 VanDerWaalsContact O-CB 3.31Å; L147-L150 WeakPolarHBondContact O-CB 3.5Å; L147-L150 PolarHBondContact O-N 3.11Å
148A95.3Very high92.8Very high29 Ų2963.2 Ų63.224%0.2433%0.332CS..Hα-helixtrans-59-26176.400000112.7E144 R145 T146 L150 A151 F152 F160E144-A148 VanDerWaalsContact O-CB 3.29Å; E144-A148 WeakPolarHBondContact O-CB 3.4Å; E144-A148 PolarHBondContact O-N 3.03Å; R145-A148 PolarHBondContact O-N 3.39Å; T146-A148 VanDerWaalsContact C-N 3.33Å; T146-A148 PolarHBondContact O-N 2.97Å; A148-L150 PolarHBondContact O-N 3.5Å; A148-A151 WeakPolarHBondContact O-CB 3.3Å; A148-A151 PolarHBondContact O-N 3.22Å; A148-A151 VanDerWaalsContact O-N 3.1Å; A148-F152 WeakPolarHBondContact O-CD2 3.31Å; A148-F152 VanDerWaalsContact O-CE2 3.29Å; A148-F152 WeakPolarHBondContact O-CE2 3.44Å; A148-F160 HydrophobicContact CB-CD2 3.6Å; A148-F160 HydrophobicContact CB-CE2 3.39Å; A148-F160 HydrophobicContact CB-CG 4.49Å; A148-F160 HydrophobicContact CB-CZ 4.15Å
149L95.8Very high93.1Very high0 Ų063 Ų630%034%0.34CS..G310 helixtrans-57-34.6173.1-68.7169.9000112.7I113 T146 L147 A151 F152 P155 S158 F160 L163 L164I113-L149 HydrophobicContact CD1-CB 4.22Å; I113-L149 HydrophobicContact CD1-CD1 4.25Å; I113-L149 HydrophobicContact CG2-CB 3.98Å; I113-L149 HydrophobicContact CG2-CD1 4.35Å; T146-L149 VanDerWaalsContact O-CB 3.25Å; T146-L149 WeakPolarHBondContact O-CB 3.27Å; T146-L149 WeakPolarHBondContact O-CG 3.34Å; T146-L149 PolarHBondContact O-N 2.85Å; L147-L149 PolarHBondContact O-N 2.88Å; L147-L149 VanDerWaalsContact O-N 3.15Å; L149-A151 PolarHBondContact O-N 3.41Å; L149-F152 PolarHBondContact O-N 3.44Å; L149-P155 HydrophobicContact CB-CB 4.21Å; L149-P155 HydrophobicContact CD2-CB 4.01Å; L149-P155 WeakPolarHBondContact O-CG 3.45Å; L149-S158 WeakPolarHBondContact CD2-OG 3.34Å; L149-F160 HydrophobicContact CD2-CB 3.77Å; L149-F160 HydrophobicContact CG-CB 4.19Å; L149-L163 HydrophobicContact CD1-CB 4.2Å; L149-L163 HydrophobicContact CD1-CD1 4.19Å; L149-L164 HydrophobicContact CD1-CD1 4.5Å; L149-L164 HydrophobicContact CD1-CG 4.28Å; L149-L164 HydrophobicContact CD2-CD1 4.11Å
150L94.1Very high93.5Very high44 Ų4465.2 Ų65.223%0.2335%0.349CS..G310 helixtrans-66.6-17180-65.3168.4000112.9I113 T118 A121 L122 L147 A148 F152I113-L150 HydrophobicContact CD1-CD2 4.24Å; I113-L150 HydrophobicContact CD1-CG 4.13Å; I113-L150 HydrophobicContact CG1-CD2 3.71Å; I113-L150 HydrophobicContact CG1-CG 4.16Å; T118-L150 HydrophobicContact CG2-CD2 4.14Å; A121-L150 HydrophobicContact CB-CD2 4.07Å; L122-L150 HydrophobicContact CD2-CD1 3.73Å; L122-L150 HydrophobicContact CG-CD1 4.14Å; L147-L150 HydrophobicContact CD2-CD1 3.83Å; L147-L150 VanDerWaalsContact O-CB 3.31Å; L147-L150 WeakPolarHBondContact O-CB 3.5Å; L147-L150 PolarHBondContact O-N 3.11Å; A148-L150 PolarHBondContact O-N 3.5Å; L150-F152 VanDerWaalsContact C-N 3.32Å
151A93.6Very high93.8Very high85 Ų8562.4 Ų62.470%0.70234%0.335SS*.G310 helixtrans-83.8-4.7179.400000113.7A148 L149A148-A151 WeakPolarHBondContact O-CB 3.3Å; A148-A151 PolarHBondContact O-N 3.22Å; A148-A151 VanDerWaalsContact O-N 3.1Å; L149-A151 PolarHBondContact O-N 3.41Å
152F94.4Very high94Very high82 Ų8262.7 Ų62.736%0.3633%0.334SS..  trans-111.2135.1-178.8-62.4-91.5000110.9A148 L149 L150 S154 P155 S158 P159 F160A148-F152 WeakPolarHBondContact O-CD2 3.31Å; A148-F152 VanDerWaalsContact O-CE2 3.29Å; A148-F152 WeakPolarHBondContact O-CE2 3.44Å; L149-F152 PolarHBondContact O-N 3.44Å; L150-F152 VanDerWaalsContact C-N 3.32Å; F152-S154 PolarHBondContact O-N 2.89Å; F152-P155 WeakPolarHBondContact O-CD 3.33Å; F152-S158 VanDerWaalsContact CD2-CB 3.48Å; F152-P159 HydrophobicContact CZ-CG 4.38Å; F152-F160 HydrophobicContact CE2-CD2 4.2Å; F152-F160 HydrophobicContact CE2-CE2 4.36Å
153D91Very high94.2Very high157 Ų15760.7 Ų60.784%0.8433%0.325SS*.SBendtrans-60.8-35.3172.6-64.1-37000111.5R116 P155R116-D153 PolarHBondContact NH1-O 2.91Å; D153-P155 WeakPolarHBondContact O-CD 3.39Å
154S93.3Very high94.3Very high50 Ų5059.8 Ų59.835%0.3532%0.321SS..SBendtrans-119.483.2174.4-61.30000110.5F152 E156 E157 S158F152-S154 PolarHBondContact O-N 2.89Å; S154-E156 PolarHBondContact O-N 3.32Å; S154-E156 VanDerWaalsContact O-N 3.16Å; S154-E157 PolarHBondContact O-N 3.4Å; S154-S158 PolarHBondContact O-N 3.48Å
155P94.2Very high94.5Very high5 Ų559.1 Ų59.13%0.03232%0.317CS..G310 helixtrans-54.3-31.2179.3-2937.8000114.3I113 R116 L149 F152 D153 E157 S158 G161 L164I113-P155 HydrophobicContact CG2-CB 4.34Å; I113-P155 HydrophobicContact CG2-CG 4.35Å; R116-P155 VanDerWaalsContact CZ-CD 3.49Å; L149-P155 HydrophobicContact CB-CB 4.21Å; L149-P155 HydrophobicContact CD2-CB 4.01Å; L149-P155 WeakPolarHBondContact O-CG 3.45Å; F152-P155 WeakPolarHBondContact O-CD 3.33Å; D153-P155 WeakPolarHBondContact O-CD 3.39Å; P155-E157 VanDerWaalsContact C-N 3.27Å; P155-E157 PolarHBondContact O-N 3Å; P155-S158 VanDerWaalsContact O-CB 3.27Å; P155-S158 WeakPolarHBondContact O-CB 3.47Å; P155-S158 PolarHBondContact O-N 3.43Å; P155-S158 PolarHBondContact O-OG 2.88Å; P155-G161 WeakPolarHBondContact O-CA 3.49Å; P155-L164 HydrophobicContact CB-CD1 3.54Å
156E93.6Very high94.3Very high90 Ų9058.4 Ų58.442%0.42132%0.324SS..G310 helixtrans-68.1-26.5179-5581177.100112.8R116 S154 L164R116-E156 IonicContact CZ-OE1 3.55Å; R116-E156 IonicContact CZ-OE2 3.77Å; R116-E156 IonicContact NE-OE1 2.66Å; R116-E156 IonicContact NH2-OE1 3.55Å; R116-E156 PolarHBondContact NH2-OE1 3.27Å; R116-E156 IonicContact NH2-OE2 3.69Å; R116-E156 PolarHBondContact NH2-OE2 3.43Å; S154-E156 PolarHBondContact O-N 3.32Å; S154-E156 VanDerWaalsContact O-N 3.16Å; E156-L164 HydrophobicContact CG-CD1 4.01Å
157E94.2Very high94.3Very high170 Ų17064.5 Ų64.579%0.79435%0.354SS*.G310 helixtrans-94.6-1.1177.6-61.3-177174.900112.2S154 P155S154-E157 PolarHBondContact O-N 3.4Å; P155-E157 VanDerWaalsContact C-N 3.27Å; P155-E157 PolarHBondContact O-N 3Å
158S94.1Very high94.4Very high13 Ų1363 Ų639%0.09135%0.345CS..SBendtrans-74.1164.5-179.6800000112L149 F152 S154 P155 F160 G161L149-S158 WeakPolarHBondContact CD2-OG 3.34Å; F152-S158 VanDerWaalsContact CD2-CB 3.48Å; S154-S158 PolarHBondContact O-N 3.48Å; P155-S158 VanDerWaalsContact O-CB 3.27Å; P155-S158 WeakPolarHBondContact O-CB 3.47Å; P155-S158 PolarHBondContact O-N 3.43Å; P155-S158 PolarHBondContact O-OG 2.88Å; S158-F160 PolarHBondContact O-N 2.96Å; S158-F160 PolarHBondContact OG-N 3.35Å; S158-F160 VanDerWaalsContact OG-N 3.15Å; S158-G161 PolarHBondContact O-N 3.33Å; S158-G161 PolarHBondContact OG-N 3.34Å; S158-G161 VanDerWaalsContact OG-N 3.16Å
159P95.4Very high94.5Very high100 Ų10063.2 Ų63.265%0.64934%0.34SS*.THydrogen-bonded Turntrans-57.6-14.6170.2-24.535.5000114.8F152F152-P159 HydrophobicContact CZ-CG 4.38Å
160F95.5Very high94.5Very high52 Ų5267.8 Ų67.823%0.22836%0.361CS..THydrogen-bonded Turntrans-111.58.2-179.6-48-69.3000112.6R145 A148 L149 F152 S158 D162 L163R145-F160 HydrophobicContact CB-CD1 4.03Å; R145-F160 HydrophobicContact CB-CE1 4.36Å; R145-F160 HydrophobicContact CG-CD1 3.93Å; R145-F160 HydrophobicContact CG-CE1 3.87Å; A148-F160 HydrophobicContact CB-CD2 3.6Å; A148-F160 HydrophobicContact CB-CE2 3.39Å; A148-F160 HydrophobicContact CB-CG 4.49Å; A148-F160 HydrophobicContact CB-CZ 4.15Å; L149-F160 HydrophobicContact CD2-CB 3.77Å; L149-F160 HydrophobicContact CG-CB 4.19Å; F152-F160 HydrophobicContact CE2-CD2 4.2Å; F152-F160 HydrophobicContact CE2-CE2 4.36Å; S158-F160 PolarHBondContact O-N 2.96Å; S158-F160 PolarHBondContact OG-N 3.35Å; S158-F160 VanDerWaalsContact OG-N 3.15Å; F160-D162 WeakPolarHBondContact CA-OD1 3.38Å; F160-D162 PolarHBondContact O-N 3.02Å; F160-L163 HydrophobicContact CB-CD1 4.4Å; F160-L163 WeakPolarHBondContact O-CB 3.42Å; F160-L163 PolarHBondContact O-N 3.21Å
161G94.9Very high94.6Very high4 Ų469.8 Ų69.84%0.04137%0.368CS..G310 helixtrans-58.8-16.1-179.500000113.4P155 S158 L163 L164P155-G161 WeakPolarHBondContact O-CA 3.49Å; S158-G161 PolarHBondContact O-N 3.33Å; S158-G161 PolarHBondContact OG-N 3.34Å; S158-G161 VanDerWaalsContact OG-N 3.16Å; G161-L163 PolarHBondContact O-N 3.47Å; G161-L164 WeakPolarHBondContact O-CB 3.28Å; G161-L164 PolarHBondContact O-N 3.28Å
162D95.5Very high94.8Very high76 Ų7665.8 Ų65.841%0.40634%0.335SS..G310 helixtrans-57-34.8173.364.2-51.5000113.1R145 F160 L164 H165R145-D162 IonicContact NH2-OD1 3.35Å; R145-D162 PolarHBondContact NH2-OD1 3.22Å; R145-D162 IonicContact NH2-OD2 3.57Å; R145-D162 PolarHBondContact NH2-OD2 2.99Å; R145-D162 VanDerWaalsContact NH2-OD2 3.1Å; F160-D162 WeakPolarHBondContact CA-OD1 3.38Å; F160-D162 PolarHBondContact O-N 3.02Å; D162-L164 PolarHBondContact O-N 2.97Å; D162-H165 VanDerWaalsContact CA-CD2 3.43Å; D162-H165 WeakPolarHBondContact CA-CD2 3.23Å; D162-H165 WeakPolarHBondContact O-CB 3.2Å; D162-H165 PolarHBondContact O-CD2 3.15Å; D162-H165 PolarHBondContact O-N 2.9Å; D162-H165 VanDerWaalsContact O-N 3.11Å
163L96Very high94.9Very high11 Ų1162.3 Ų62.36%0.05832%0.319CS..G310 helixtrans-63.7-24.1176.4-64.3177.7000112.9I110 R145 L149 F160 G161 Q168I110-L163 HydrophobicContact CD1-CB 4.17Å; I110-L163 WeakPolarHBondContact CG2-O 3.41Å; R145-L163 HydrophobicContact CB-CD1 4.13Å; L149-L163 HydrophobicContact CD1-CB 4.2Å; L149-L163 HydrophobicContact CD1-CD1 4.19Å; F160-L163 HydrophobicContact CB-CD1 4.4Å; F160-L163 WeakPolarHBondContact O-CB 3.42Å; F160-L163 PolarHBondContact O-N 3.21Å; G161-L163 PolarHBondContact O-N 3.47Å; L163-Q168 WeakPolarHBondContact O-CB 3.38Å
164L95.3Very high95.1Very high8 Ų857.6 Ų57.64%0.04230%0.299CS..G310 helixtrans-87.7-3.6178.8-64.6165.6000112.4I110 I113 R114 L149 P155 E156 G161 D162I110-L164 HydrophobicContact CG2-CD2 3.86Å; I113-L164 HydrophobicContact CG2-CD2 4.42Å; R114-L164 HydrophobicContact CB-CD2 4.06Å; R114-L164 PolarHBondContact NH1-O 2.81Å; R114-L164 PolarHBondContact NH2-O 2.84Å; L149-L164 HydrophobicContact CD1-CD1 4.5Å; L149-L164 HydrophobicContact CD1-CG 4.28Å; L149-L164 HydrophobicContact CD2-CD1 4.11Å; P155-L164 HydrophobicContact CB-CD1 3.54Å; E156-L164 HydrophobicContact CG-CD1 4.01Å; G161-L164 WeakPolarHBondContact O-CB 3.28Å; G161-L164 PolarHBondContact O-N 3.28Å; D162-L164 PolarHBondContact O-N 2.97Å
165H94.9Very high95.2Very high115 Ų11557.6 Ų57.653%0.53229%0.293SS..SBendtrans-72.7151.4174.2-66-50.1000112.5D162 M167 Q168D162-H165 VanDerWaalsContact CA-CD2 3.43Å; D162-H165 WeakPolarHBondContact CA-CD2 3.23Å; D162-H165 WeakPolarHBondContact O-CB 3.2Å; D162-H165 PolarHBondContact O-CD2 3.15Å; D162-H165 PolarHBondContact O-N 2.9Å; D162-H165 VanDerWaalsContact O-N 3.11Å; H165-M167 PolarHBondContact O-N 2.65Å; H165-M167 VanDerWaalsContact O-N 3.08Å; H165-Q168 WeakPolarHBondContact O-CB 3.36Å; H165-Q168 PolarHBondContact O-N 2.93Å
166T92.1Very high95.4Very high80 Ų8057.4 Ų57.449%0.49129%0.292SS..Hα-helixtrans-58.1-23.8175.2-47.80000112.8Q168 R169 Q170T166-Q168 PolarHBondContact O-N 2.92Å; T166-R169 PolarHBondContact O-N 3.38Å; T166-Q170 PolarHBondContact O-N 3Å
167M94.4Very high95.5Very high129 Ų12953.2 Ų53.264%0.63527%0.272SS*.Hα-helixtrans-58.9-32.6175.3-167.567.1-173.700112.2H165 Q170 K171H165-M167 PolarHBondContact O-N 2.65Å; H165-M167 VanDerWaalsContact O-N 3.08Å; M167-Q170 WeakPolarHBondContact O-CB 3.49Å; M167-Q170 PolarHBondContact O-N 2.81Å; M167-Q170 VanDerWaalsContact O-N 3.15Å; M167-Q170 PolarHBondContact SD-OE1 3.12Å; M167-K171 PolarHBondContact O-N 3.09Å
168Q95.9Very high95.5Very high24 Ų2449 Ų4911%0.11225%0.253CS..Hα-helixtrans-63.6-43.2177.2-176.666.211.300111.2I110 L163 H165 T166 Q170 K171 V172I110-Q168 HydrophobicContact CD1-CG 4.12Å; L163-Q168 WeakPolarHBondContact O-CB 3.38Å; H165-Q168 WeakPolarHBondContact O-CB 3.36Å; H165-Q168 PolarHBondContact O-N 2.93Å; T166-Q168 PolarHBondContact O-N 2.92Å; Q168-Q170 VanDerWaalsContact C-N 3.27Å; Q168-Q170 PolarHBondContact O-N 3.44Å; Q168-K171 WeakPolarHBondContact O-CB 3.45Å; Q168-K171 PolarHBondContact O-N 3.32Å; Q168-V172 WeakPolarHBondContact O-CG2 3.39Å; Q168-V172 PolarHBondContact O-N 2.7Å; Q168-V172 VanDerWaalsContact O-N 3.07Å
169R97.2Very high95.7Very high33 Ų3348.8 Ų48.813%0.12525%0.252CS..Hα-helixtrans-61.4-35.8173.4-63.5179.6-174.7168.50.1112.1I74 L75 E111 T166 W173I74-R169 WeakPolarHBondContact CG2-O 3.41Å; I74-R169 WeakPolarHBondContact O-CD 3.42Å; L75-R169 HydrophobicContact CD2-CB 4.22Å; L75-R169 VanDerWaalsContact O-CD 3.27Å; L75-R169 WeakPolarHBondContact O-CD 3.32Å; L75-R169 PolarHBondContact O-NH1 3.18Å; E111-R169 IonicContact OE1-CZ 3.55Å; E111-R169 IonicContact OE1-NE 3.18Å; E111-R169 PolarHBondContact OE1-NE 2.83Å; E111-R169 IonicContact OE1-NH2 2.77Å; E111-R169 PolarHBondContact OE1-NH2 3.32Å; E111-R169 IonicContact OE2-CZ 2.6Å; E111-R169 IonicContact OE2-NE 3.41Å; E111-R169 IonicContact OE2-NH2 2.72Å; E111-R169 PolarHBondContact OE2-NH2 2.82Å; T166-R169 PolarHBondContact O-N 3.38Å; R169-W173 WeakPolarHBondContact O-CB 3.49Å; R169-W173 PolarHBondContact O-N 2.92Å
170Q95.6Very high95.7Very high96 Ų9644.1 Ų44.145%0.44922%0.221SC..Hα-helixtrans-67.6-39.4176.1-65.7-175.90.700112.2L75 T166 M167 Q168 W173 S174L75-Q170 HydrophobicContact CD2-CG 3.97Å; T166-Q170 PolarHBondContact O-N 3Å; M167-Q170 WeakPolarHBondContact O-CB 3.49Å; M167-Q170 PolarHBondContact O-N 2.81Å; M167-Q170 VanDerWaalsContact O-N 3.15Å; M167-Q170 PolarHBondContact SD-OE1 3.12Å; Q168-Q170 VanDerWaalsContact C-N 3.27Å; Q168-Q170 PolarHBondContact O-N 3.44Å; Q170-W173 PolarHBondContact O-N 3.28Å; Q170-S174 PolarHBondContact O-N 3.02Å
171K96.1Very high95.7Very high85 Ų8541.9 Ų41.937%0.3721%0.212SC..Hα-helixtrans-59.1-52.1174-177-170.1171.1-160.80110.6M167 Q168 W173 S174 E175M167-K171 PolarHBondContact O-N 3.09Å; Q168-K171 WeakPolarHBondContact O-CB 3.45Å; Q168-K171 PolarHBondContact O-N 3.32Å; K171-W173 VanDerWaalsContact C-N 3.34Å; K171-W173 PolarHBondContact O-N 3.41Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 3.36Å; K171-E175 VanDerWaalsContact CE-OE1 3.23Å; K171-E175 WeakPolarHBondContact CE-OE1 3.49Å; K171-E175 PolarHBondContact O-N 3.32Å; K171-E175 VanDerWaalsContact O-N 3.12Å
172V97.2Very high95.6Very high1 Ų145.3 Ų45.31%0.00623%0.229CC..Hα-helixtrans-59.1-44.7178.8176.10000111.2I74 L104 Q107 Q168 S174 E175 V176I74-V172 HydrophobicContact CG2-CB 4.43Å; I74-V172 HydrophobicContact CG2-CG1 4.26Å; L104-V172 HydrophobicContact CD2-CG1 3.74Å; L104-V172 HydrophobicContact CG-CG1 4.34Å; Q107-V172 HydrophobicContact CB-CG1 4.47Å; Q107-V172 HydrophobicContact CB-CG2 4.07Å; Q107-V172 HydrophobicContact CG-CG2 4.22Å; Q168-V172 WeakPolarHBondContact O-CG2 3.39Å; Q168-V172 PolarHBondContact O-N 2.7Å; Q168-V172 VanDerWaalsContact O-N 3.07Å; V172-S174 VanDerWaalsContact C-N 3.34Å; V172-S174 PolarHBondContact O-N 2.9Å; V172-E175 PolarHBondContact O-N 3.03Å; V172-V176 WeakPolarHBondContact O-CG2 3.3Å; V172-V176 PolarHBondContact O-N 3.13Å
173W96.7Very high95.6Very high9 Ų946.1 Ų46.13%0.03423%0.227CC..Hα-helixtrans-58.2-44.7173.5162.2-110.6000112.2R67 I70 R71 I74 R169 Q170 K171 E175 V176 N177R67-W173 HydrophobicContact CB-CH2 4.2Å; R67-W173 VanDerWaalsContact O-CH2 3.29Å; R67-W173 WeakPolarHBondContact O-CH2 3.19Å; I70-W173 HydrophobicContact CB-CZ3 4.3Å; I70-W173 HydrophobicContact CG2-CE3 4.47Å; I70-W173 HydrophobicContact CG2-CZ3 4.03Å; R71-W173 HydrophobicContact CB-CD2 3.72Å; R71-W173 HydrophobicContact CB-CE3 3.67Å; R71-W173 HydrophobicContact CB-CH2 3.67Å; R71-W173 HydrophobicContact CB-CZ2 3.72Å; R71-W173 HydrophobicContact CB-CZ3 3.64Å; R71-W173 HydrophobicContact CG-CD2 3.62Å; R71-W173 HydrophobicContact CG-CE3 4.1Å; R71-W173 HydrophobicContact CG-CG 4Å; R71-W173 HydrophobicContact CG-CH2 4.39Å; R71-W173 HydrophobicContact CG-CZ2 3.96Å; R71-W173 HydrophobicContact CG-CZ3 4.46Å; I74-W173 HydrophobicContact CD1-CE3 4.22Å; I74-W173 HydrophobicContact CG2-CB 4.04Å; R169-W173 WeakPolarHBondContact O-CB 3.49Å; R169-W173 PolarHBondContact O-N 2.92Å; Q170-W173 PolarHBondContact O-N 3.28Å; K171-W173 VanDerWaalsContact C-N 3.34Å; K171-W173 PolarHBondContact O-N 3.41Å; W173-E175 VanDerWaalsContact C-N 3.26Å; W173-E175 PolarHBondContact O-N 2.98Å; W173-V176 HydrophobicContact CE3-CG1 4.48Å; W173-V176 HydrophobicContact CZ3-CG1 4.41Å; W173-V176 PolarHBondContact O-N 2.98Å; W173-N177 HydrophobicContact CD2-CB 4.23Å; W173-N177 HydrophobicContact CE3-CB 4.37Å; W173-N177 HydrophobicContact CH2-CB 3.88Å; W173-N177 HydrophobicContact CZ2-CB 3.69Å; W173-N177 WeakPolarHBondContact CZ2-OD1 3.4Å; W173-N177 HydrophobicContact CZ3-CB 4.22Å; W173-N177 VanDerWaalsContact O-CB 3.23Å; W173-N177 WeakPolarHBondContact O-CB 3.44Å; W173-N177 PolarHBondContact O-N 3.16Å
174S95Very high95.4Very high58 Ų5848 Ų4841%0.40624%0.235SC..Hα-helixtrans-60.2-38.6-179-1710000112Q170 K171 V172 Q178Q170-S174 PolarHBondContact O-N 3.02Å; K171-S174 WeakPolarHBondContact O-CB 3.43Å; K171-S174 PolarHBondContact O-N 3.36Å; V172-S174 VanDerWaalsContact C-N 3.34Å; V172-S174 PolarHBondContact O-N 2.9Å; S174-Q178 WeakPolarHBondContact O-CB 3.4Å; S174-Q178 PolarHBondContact O-N 3.24Å; S174-Q178 VanDerWaalsContact O-N 3.09Å
175E96.3Very high95.3Very high51 Ų5154.9 Ų54.924%0.23827%0.273CS..Hα-helixtrans-69.8-45.5176.9-66174.1-164.600111.8L100 H103 K171 V172 W173 N177 Q178 A179L100-E175 HydrophobicContact CD1-CB 3.87Å; H103-E175 IonicContact CE1-OE2 3.96Å; H103-E175 IonicContact CG-OE2 3.63Å; H103-E175 IonicContact ND1-OE1 3.73Å; H103-E175 IonicContact ND1-OE2 3.55Å; H103-E175 PolarHBondContact ND1-OE2 3.49Å; K171-E175 VanDerWaalsContact CE-OE1 3.23Å; K171-E175 WeakPolarHBondContact CE-OE1 3.49Å; K171-E175 PolarHBondContact O-N 3.32Å; K171-E175 VanDerWaalsContact O-N 3.12Å; V172-E175 PolarHBondContact O-N 3.03Å; W173-E175 VanDerWaalsContact C-N 3.26Å; W173-E175 PolarHBondContact O-N 2.98Å; E175-N177 VanDerWaalsContact C-N 3.32Å; E175-N177 PolarHBondContact O-N 3.07Å; E175-Q178 PolarHBondContact O-N 3.16Å; E175-A179 WeakPolarHBondContact O-CB 3.24Å; E175-A179 PolarHBondContact O-N 3.03Å
176V97.5Very high95.1Very high0 Ų053.4 Ų53.40%026%0.262CS..Hα-helixtrans-58.7-46.1174.2170.60000110.7I70 I74 I86 L100 L104 V172 W173 Q178 A179 V180I70-V176 HydrophobicContact CG2-CG1 3.82Å; I74-V176 HydrophobicContact CD1-CB 4.08Å; I74-V176 HydrophobicContact CD1-CG1 4.1Å; I74-V176 HydrophobicContact CD1-CG2 3.8Å; I86-V176 HydrophobicContact CD1-CG1 3.74Å; I86-V176 HydrophobicContact CD1-CG2 4.4Å; I86-V176 HydrophobicContact CG1-CG1 4.43Å; L100-V176 HydrophobicContact CD1-CG2 3.78Å; L100-V176 HydrophobicContact CG-CG2 4.48Å; L104-V176 HydrophobicContact CD1-CG2 4.11Å; L104-V176 HydrophobicContact CD2-CG2 3.93Å; L104-V176 HydrophobicContact CG-CG2 4.21Å; V172-V176 WeakPolarHBondContact O-CG2 3.3Å; V172-V176 PolarHBondContact O-N 3.13Å; W173-V176 HydrophobicContact CE3-CG1 4.48Å; W173-V176 HydrophobicContact CZ3-CG1 4.41Å; W173-V176 PolarHBondContact O-N 2.98Å; V176-Q178 VanDerWaalsContact C-N 3.33Å; V176-Q178 PolarHBondContact O-N 3.29Å; V176-A179 PolarHBondContact O-N 2.86Å; V176-V180 HydrophobicContact CG1-CG2 4.23Å; V176-V180 WeakPolarHBondContact O-CB 3.22Å; V176-V180 WeakPolarHBondContact O-CG2 3.28Å; V176-V180 PolarHBondContact O-N 3.23Å
177N95.8Very high95Very high2 Ų252.7 Ų52.71%0.01125%0.253CS..Hα-helixtrans-58.7-46.4179.7-174.752.6000111.6T39 R67 W173 E175 L181T39-N177 PolarHBondContact O-ND2 3.39Å; R67-N177 PolarHBondContact NE-OD1 2.94Å; R67-N177 PolarHBondContact NH2-OD1 3.46Å; W173-N177 HydrophobicContact CD2-CB 4.23Å; W173-N177 HydrophobicContact CE3-CB 4.37Å; W173-N177 HydrophobicContact CH2-CB 3.88Å; W173-N177 HydrophobicContact CZ2-CB 3.69Å; W173-N177 WeakPolarHBondContact CZ2-OD1 3.4Å; W173-N177 HydrophobicContact CZ3-CB 4.22Å; W173-N177 VanDerWaalsContact O-CB 3.23Å; W173-N177 WeakPolarHBondContact O-CB 3.44Å; W173-N177 PolarHBondContact O-N 3.16Å; E175-N177 VanDerWaalsContact C-N 3.32Å; E175-N177 PolarHBondContact O-N 3.07Å; N177-L181 VanDerWaalsContact O-CG 3.31Å; N177-L181 WeakPolarHBondContact O-CG 3.31Å; N177-L181 PolarHBondContact O-N 3.4Å; N177-L181 VanDerWaalsContact O-N 3.11Å
178Q95.3Very high94.8Very high82 Ų8247.3 Ų47.338%0.38323%0.228SC..Hα-helixtrans-62.8-47.6178.5-165.4-169.6-41.600110.8S174 E175 V176 V180 L181 D182 S188S174-Q178 WeakPolarHBondContact O-CB 3.4Å; S174-Q178 PolarHBondContact O-N 3.24Å; S174-Q178 VanDerWaalsContact O-N 3.09Å; E175-Q178 PolarHBondContact O-N 3.16Å; V176-Q178 VanDerWaalsContact C-N 3.33Å; V176-Q178 PolarHBondContact O-N 3.29Å; Q178-V180 PolarHBondContact O-N 3.24Å; Q178-L181 PolarHBondContact O-N 2.9Å; Q178-D182 WeakPolarHBondContact O-CB 3.49Å; Q178-D182 VanDerWaalsContact O-CG 3.31Å; Q178-D182 PolarHBondContact O-N 3.46Å; Q178-S188 WeakPolarHBondContact O-CB 3.43Å
179A96.8Very high94.6Very high9 Ų947.3 Ų47.37%0.07423%0.23CC..Hα-helixtrans-64.9-39.7-17800000113.1L93 L100 E175 V176 D182 Y183L93-A179 HydrophobicContact CD1-CB 4.19Å; L100-A179 HydrophobicContact CD2-CB 3.45Å; L100-A179 VanDerWaalsContact CD2-CB 3.45Å; E175-A179 WeakPolarHBondContact O-CB 3.24Å; E175-A179 PolarHBondContact O-N 3.03Å; V176-A179 PolarHBondContact O-N 2.86Å; A179-D182 PolarHBondContact O-N 3.04Å; A179-Y183 VanDerWaalsContact O-CB 3.29Å; A179-Y183 WeakPolarHBondContact O-CB 3.37Å; A179-Y183 PolarHBondContact O-N 2.9Å
180V95.9Very high94.4Very high1 Ų146 Ų461%0.00623%0.226CC..Hα-helixtrans-61.6-46173.6167.30000110.6R67 H90 L93 V176 Q178 Y183 E184R67-V180 HydrophobicContact CG-CG1 3.98Å; H90-V180 VanDerWaalsContact CE1-CG1 3.46Å; H90-V180 WeakPolarHBondContact CE1-CG1 3.44Å; L93-V180 HydrophobicContact CD2-CG2 3.72Å; V176-V180 HydrophobicContact CG1-CG2 4.23Å; V176-V180 WeakPolarHBondContact O-CB 3.22Å; V176-V180 WeakPolarHBondContact O-CG2 3.28Å; V176-V180 PolarHBondContact O-N 3.23Å; Q178-V180 PolarHBondContact O-N 3.24Å; V180-Y183 PolarHBondContact O-N 3.12Å; V180-E184 WeakPolarHBondContact O-CG 3.48Å; V180-E184 PolarHBondContact O-N 2.76Å
181L94.5Very high94.4Very high5 Ų546.2 Ų46.23%0.02623%0.226CC..Hα-helixtrans-65.8-40178.4-71170.6000112.2T39 N177 Q178 E184 N185 R186T39-L181 HydrophobicContact CG2-CD1 3.96Å; T39-L181 WeakPolarHBondContact O-CD1 3.49Å; N177-L181 VanDerWaalsContact O-CG 3.31Å; N177-L181 WeakPolarHBondContact O-CG 3.31Å; N177-L181 PolarHBondContact O-N 3.4Å; N177-L181 VanDerWaalsContact O-N 3.11Å; Q178-L181 PolarHBondContact O-N 2.9Å; L181-E184 CarbonylContact O-C 3.58Å; L181-E184 PolarHBondContact O-N 3.35Å; L181-N185 PolarHBondContact O-N 3.11Å; L181-R186 HydrophobicContact CB-CB 4.36Å; L181-R186 HydrophobicContact CD2-CB 3.88Å; L181-R186 PolarHBondContact O-N 3.28Å
182D94.5Very high94.2Very high77 Ų7745.7 Ų45.741%0.41223%0.226SC..Hα-helixtrans-62.8-43.5175.1-73-27.4000110.9Q178 A179 E184 N185 S188Q178-D182 WeakPolarHBondContact O-CB 3.49Å; Q178-D182 VanDerWaalsContact O-CG 3.31Å; Q178-D182 PolarHBondContact O-N 3.46Å; A179-D182 PolarHBondContact O-N 3.04Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 PolarHBondContact O-N 2.74Å; D182-N185 PolarHBondContact O-N 2.87Å; D182-S188 WeakPolarHBondContact OD1-CB 3.5Å; D182-S188 PolarHBondContact OD1-OG 3.31Å
183Y94.2Very high94Very high93 Ų9347 Ų4737%0.36524%0.237SC..Hα-helixtrans-61.1-38.5175.8-174.5-88.1000112.5H90 P91 L93 A179 V180 N185H90-Y183 HydrophobicContact CB-CD1 3.92Å; H90-Y183 HydrophobicContact CB-CE1 3.88Å; H90-Y183 HydrophobicContact CB-CG 4.48Å; H90-Y183 AromaticContact CD2-CD1 3.54Å; H90-Y183 AromaticContact CD2-CE1 3.88Å; P91-Y183 PolarHBondContact O-OH 2.99Å; L93-Y183 HydrophobicContact CB-CD2 4.18Å; L93-Y183 HydrophobicContact CB-CE2 4.48Å; L93-Y183 HydrophobicContact CD1-CD2 3.94Å; L93-Y183 HydrophobicContact CD1-CG 4.19Å; A179-Y183 VanDerWaalsContact O-CB 3.29Å; A179-Y183 WeakPolarHBondContact O-CB 3.37Å; A179-Y183 PolarHBondContact O-N 2.9Å; V180-Y183 PolarHBondContact O-N 3.12Å; Y183-N185 PolarHBondContact O-N 3.14Å
184E92.5Very high93.9Very high49 Ų4951.2 Ų51.223%0.22926%0.256CS..THydrogen-bonded Turntrans-78.42.5175.3-68.8179.9179.400114H90 V180 L181 D182 R186H90-E184 IonicContact CD2-OE1 2.68Å; H90-E184 IonicContact CE1-OE1 3.76Å; H90-E184 IonicContact NE2-OE1 3.28Å; H90-E184 PolarHBondContact NE2-OE1 3.11Å; V180-E184 WeakPolarHBondContact O-CG 3.48Å; V180-E184 PolarHBondContact O-N 2.76Å; L181-E184 CarbonylContact O-C 3.58Å; L181-E184 PolarHBondContact O-N 3.35Å; D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 PolarHBondContact O-N 2.74Å; E184-R186 HydrophobicContact CB-CG 3.96Å; E184-R186 PolarHBondContact O-N 2.84Å; E184-R186 VanDerWaalsContact OE2-CD 3.28Å; E184-R186 WeakPolarHBondContact OE2-CD 3.45Å; E184-R186 IonicContact OE2-CZ 2.7Å; E184-R186 IonicContact OE2-NE 2.92Å; E184-R186 PolarHBondContact OE2-NE 2.87Å; E184-R186 IonicContact OE2-NH1 2.9Å
185N92.5Very high93.8Very high154 Ų15452.6 Ų52.682%0.82426%0.258SS*.THydrogen-bonded Turntrans55.834.5-173.4-59.5-82.5000113.5L181 D182 Y183L181-N185 PolarHBondContact O-N 3.11Å; D182-N185 PolarHBondContact O-N 2.87Å; Y183-N185 PolarHBondContact O-N 3.14Å
186R90.8Very high93.7Very high83 Ų8353.7 Ų53.731%0.31327%0.265SS..SBendtrans-100.5163.8177-65.1-176.8-178.7-168.9-0.6110.8T63 L181 E184 S188T63-R186 PolarHBondContact OG1-NH1 2.83Å; L181-R186 HydrophobicContact CB-CB 4.36Å; L181-R186 HydrophobicContact CD2-CB 3.88Å; L181-R186 PolarHBondContact O-N 3.28Å; E184-R186 HydrophobicContact CB-CG 3.96Å; E184-R186 PolarHBondContact O-N 2.84Å; E184-R186 VanDerWaalsContact OE2-CD 3.28Å; E184-R186 WeakPolarHBondContact OE2-CD 3.45Å; E184-R186 IonicContact OE2-CZ 2.7Å; E184-R186 IonicContact OE2-NE 2.92Å; E184-R186 PolarHBondContact OE2-NE 2.87Å; E184-R186 IonicContact OE2-NH1 2.9Å; R186-S188 PolarHBondContact O-N 3.48Å; R186-S188 VanDerWaalsContact O-N 3.08Å
187E89.9Confident93.6Very high65 Ų6559.9 Ų59.930%0.30429%0.292SS..  trans-67.4108.6173-179168.1-137.200109.8N35 T39 T189 K191 K194N35-E187 PolarHBondContact ND2-OE2 2.89Å; T39-E187 WeakPolarHBondContact CG2-O 3.25Å; E187-T189 WeakPolarHBondContact CG-O 3.36Å; E187-K191 WeakPolarHBondContact OE1-CG 3.41Å; E187-K191 WeakPolarHBondContact OE2-CE 3.35Å; E187-K194 IonicContact OE1-NZ 3.85Å; E187-K194 PolarHBondContact OE1-NZ 3.42Å
188S90.2Very high93.6Very high16 Ų1664.5 Ų64.511%0.11232%0.316CS..  trans-88.3-19.6-175.161.40000114.8Q178 D182 R186Q178-S188 WeakPolarHBondContact O-CB 3.43Å; D182-S188 WeakPolarHBondContact OD1-CB 3.5Å; D182-S188 PolarHBondContact OD1-OG 3.31Å; R186-S188 PolarHBondContact O-N 3.48Å; R186-S188 VanDerWaalsContact O-N 3.08Å
189T91.8Very high93.6Very high24 Ų2463.3 Ų63.315%0.14731%0.313CS..SBendtrans-113.6123.7175.9-56.50000109.9E187 K191 A193 K194E187-T189 WeakPolarHBondContact CG-O 3.36Å; T189-K191 PolarHBondContact O-N 3.03Å; T189-A193 HydrophobicContact CG2-CB 4.05Å; T189-K194 HydrophobicContact CG2-CG 3.77Å; T189-K194 VanDerWaalsContact O-CE 3.29Å; T189-K194 WeakPolarHBondContact O-CE 3.37Å
190P93.6Very high93.5Very high6 Ų667 Ų674%0.03933%0.331CS..  trans-55.2140.9176.7-24.431.4000112.1Y36 T39 E40 L192 A193 K194Y36-P190 HydrophobicContact CD2-CB 3.71Å; Y36-P190 HydrophobicContact CD2-CG 3.84Å; Y36-P190 HydrophobicContact CE2-CG 4.29Å; Y36-P190 HydrophobicContact CG-CB 4.48Å; T39-P190 HydrophobicContact CG2-CB 4.5Å; T39-P190 HydrophobicContact CG2-CG 3.75Å; E40-P190 HydrophobicContact CG-CG 4.17Å; E40-P190 VanDerWaalsContact OE1-CG 3.28Å; E40-P190 WeakPolarHBondContact OE1-CG 3.44Å; P190-L192 PolarHBondContact O-N 2.6Å; P190-A193 HydrophobicContact CB-CB 4.25Å; P190-A193 HydrophobicContact CG-CB 4.5Å; P190-A193 WeakPolarHBondContact O-CA 3.22Å; P190-A193 WeakPolarHBondContact O-CB 3.46Å; P190-A193 PolarHBondContact O-N 2.86Å; P190-K194 PolarHBondContact O-N 3.39Å
191K94.8Very high93.6Very high101 Ų10173.8 Ų73.844%0.43936%0.356SS..Hα-helixtrans-56.5-37.4177-69.2177.7-175.8179.80112L32 N35 E187 T189 A193 K194 L195L32-K191 HydrophobicContact CD2-CB 3.6Å; L32-K191 HydrophobicContact CD2-CD 4.39Å; N35-K191 WeakPolarHBondContact OD1-CB 3.41Å; N35-K191 WeakPolarHBondContact OD1-CG 3.44Å; N35-K191 PolarHBondContact OD1-N 3.1Å; E187-K191 WeakPolarHBondContact OE1-CG 3.41Å; E187-K191 WeakPolarHBondContact OE2-CE 3.35Å; T189-K191 PolarHBondContact O-N 3.03Å; K191-A193 VanDerWaalsContact C-N 3.35Å; K191-A193 PolarHBondContact O-N 2.9Å; K191-K194 WeakPolarHBondContact O-CB 3.46Å; K191-K194 PolarHBondContact O-N 2.93Å; K191-L195 WeakPolarHBondContact O-CG 3.44Å; K191-L195 PolarHBondContact O-N 3.47Å
192L93.3Very high93.7Very high73 Ų7375.3 Ų75.338%0.38237%0.369SS..Hα-helixtrans-60.3-43.7175-175.461.8000111.9P190 L195 L196P190-L192 PolarHBondContact O-N 2.6Å; L192-L195 PolarHBondContact O-N 2.93Å; L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.42Å
193A92.4Very high93.7Very high29 Ų2972.4 Ų72.424%0.2435%0.353CS..Hα-helixtrans-65.9-38.317600000111.7T189 P190 K191 L196 K197T189-A193 HydrophobicContact CG2-CB 4.05Å; P190-A193 HydrophobicContact CB-CB 4.25Å; P190-A193 HydrophobicContact CG-CB 4.5Å; P190-A193 WeakPolarHBondContact O-CA 3.22Å; P190-A193 WeakPolarHBondContact O-CB 3.46Å; P190-A193 PolarHBondContact O-N 2.86Å; K191-A193 VanDerWaalsContact C-N 3.35Å; K191-A193 PolarHBondContact O-N 2.9Å; A193-L196 PolarHBondContact O-N 3.4Å; A193-K197 WeakPolarHBondContact O-CG 3.49Å; A193-K197 PolarHBondContact O-N 3.39Å
194K94.1Very high93.8Very high97 Ų9771.3 Ų71.342%0.42235%0.354SS..Hα-helixtrans-61.1-42.8172.7-66.1178.8-177.5168.60111.9E187 T189 P190 K191 K197 L198E187-K194 IonicContact OE1-NZ 3.85Å; E187-K194 PolarHBondContact OE1-NZ 3.42Å; T189-K194 HydrophobicContact CG2-CG 3.77Å; T189-K194 VanDerWaalsContact O-CE 3.29Å; T189-K194 WeakPolarHBondContact O-CE 3.37Å; P190-K194 PolarHBondContact O-N 3.39Å; K191-K194 WeakPolarHBondContact O-CB 3.46Å; K191-K194 PolarHBondContact O-N 2.93Å; K194-K197 PolarHBondContact O-N 3.25Å; K194-L198 WeakPolarHBondContact O-CB 3.29Å; K194-L198 PolarHBondContact O-N 3.25Å
195L94.3Very high94Very high87 Ų8771.4 Ų71.446%0.45535%0.354SS..Hα-helixtrans-63-41.5176.7-70.6172000111.9L32 K191 L192 L198 L199L32-L195 HydrophobicContact CD1-CD1 3.97Å; L32-L195 HydrophobicContact CD2-CD1 4.14Å; K191-L195 WeakPolarHBondContact O-CG 3.44Å; K191-L195 PolarHBondContact O-N 3.47Å; L192-L195 PolarHBondContact O-N 2.93Å; L195-L198 PolarHBondContact O-N 3.34Å; L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 PolarHBondContact O-N 2.74Å
196L93.9Very high94.1Very high74 Ų7466.7 Ų66.739%0.38733%0.329SS..Hα-helixtrans-64-43.7175.1-69.8173.2000112L192 A193 L198 L199 L200L192-L196 WeakPolarHBondContact O-CG 3.36Å; L192-L196 PolarHBondContact O-N 3.42Å; A193-L196 PolarHBondContact O-N 3.4Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 PolarHBondContact O-N 3Å; L196-L199 PolarHBondContact O-N 2.95Å; L196-L200 WeakPolarHBondContact O-CG 3.41Å; L196-L200 PolarHBondContact O-N 3.23Å
197K93.9Very high94.2Very high131 Ų13165.9 Ų65.957%0.5733%0.331SS*.Hα-helixtrans-61-42.4174.3-72177.7-178.2-179.40111.4A193 K194 L200 W201A193-K197 WeakPolarHBondContact O-CG 3.49Å; A193-K197 PolarHBondContact O-N 3.39Å; K194-K197 PolarHBondContact O-N 3.25Å; K197-L200 PolarHBondContact O-N 2.65Å; K197-W201 WeakPolarHBondContact O-CB 3.34Å; K197-W201 PolarHBondContact O-N 3.44Å
198L96.2Very high94.5Very high98 Ų9868.7 Ų68.751%0.51334%0.344SS..Hα-helixtrans-63.7-41.8177.1-177.965.7000111.9K194 L195 L196 W201 A202K194-L198 WeakPolarHBondContact O-CB 3.29Å; K194-L198 PolarHBondContact O-N 3.25Å; L195-L198 PolarHBondContact O-N 3.34Å; L196-L198 VanDerWaalsContact C-N 3.33Å; L196-L198 PolarHBondContact O-N 3Å; L198-W201 HydrophobicContact CD1-CE3 3.85Å; L198-W201 HydrophobicContact CD1-CZ3 4.21Å; L198-W201 PolarHBondContact O-N 2.86Å; L198-A202 VanDerWaalsContact O-CB 3.31Å; L198-A202 WeakPolarHBondContact O-CB 3.31Å; L198-A202 PolarHBondContact O-N 3.48Å
199L95.1Very high94.6Very high58 Ų5874.9 Ų74.930%0.30437%0.369SS..Hα-helixtrans-59.5-51.6174.5172.864.5000110.9L195 L196 W201 A202 Q203 M216 L219L195-L199 WeakPolarHBondContact O-CB 3.47Å; L195-L199 PolarHBondContact O-N 2.74Å; L196-L199 PolarHBondContact O-N 2.95Å; L199-W201 VanDerWaalsContact C-N 3.32Å; L199-W201 PolarHBondContact O-N 2.85Å; L199-A202 PolarHBondContact O-N 3.44Å; L199-Q203 HydrophobicContact CD1-CG 4.29Å; L199-Q203 WeakPolarHBondContact O-CG 3.48Å; L199-Q203 PolarHBondContact O-N 3.5Å; L199-M216 HydrophobicContact CD2-SD 3.81Å; L199-L219 HydrophobicContact CD2-CD2 3.51Å; L199-L219 HydrophobicContact CG-CD2 4.47Å
200L95.6Very high94.6Very high87 Ų8782.7 Ų82.746%0.45540%0.401SS..Hα-helixtrans-59.8-43.2179-72.2175.3000112L196 K197 Q203 N204 L219L196-L200 WeakPolarHBondContact O-CG 3.41Å; L196-L200 PolarHBondContact O-N 3.23Å; K197-L200 PolarHBondContact O-N 2.65Å; L200-Q203 PolarHBondContact O-N 3.11Å; L200-N204 WeakPolarHBondContact O-CB 3.4Å; L200-N204 PolarHBondContact O-N 3.1Å; L200-L219 HydrophobicContact CD1-CD1 4.05Å; L200-L219 HydrophobicContact CD2-CD1 3.88Å; L200-L219 HydrophobicContact CG-CD1 4.07Å
201W97Very high94.5Very high143 Ų14385.8 Ų85.854%0.54242%0.419SS..Hα-helixtrans-61.5-47.4174.7173.278.7000111.9K197 L198 L199 Q203 N204 E205K197-W201 WeakPolarHBondContact O-CB 3.34Å; K197-W201 PolarHBondContact O-N 3.44Å; L198-W201 HydrophobicContact CD1-CE3 3.85Å; L198-W201 HydrophobicContact CD1-CZ3 4.21Å; L198-W201 PolarHBondContact O-N 2.86Å; L199-W201 VanDerWaalsContact C-N 3.32Å; L199-W201 PolarHBondContact O-N 2.85Å; W201-Q203 VanDerWaalsContact C-N 3.34Å; W201-Q203 PolarHBondContact O-N 3.29Å; W201-N204 WeakPolarHBondContact O-CB 3.29Å; W201-N204 PolarHBondContact O-N 3.18Å; W201-N204 VanDerWaalsContact O-N 3.11Å; W201-E205 HydrophobicContact CD2-CG 3.95Å; W201-E205 VanDerWaalsContact CE2-CG 3.44Å; W201-E205 HydrophobicContact CE3-CG 4.4Å; W201-E205 HydrophobicContact CH2-CG 4.03Å; W201-E205 HydrophobicContact CZ2-CG 3.5Å; W201-E205 HydrophobicContact CZ3-CG 4.44Å; W201-E205 PolarHBondContact NE1-OE1 3.17Å; W201-E205 WeakPolarHBondContact O-CG 3.38Å; W201-E205 PolarHBondContact O-N 2.96Å
202A96.4Very high94.4Very high37 Ų3784.9 Ų84.931%0.30642%0.415SS..Hα-helixtrans-61.2-41.418000000112L198 L199 E205 L206L198-A202 VanDerWaalsContact O-CB 3.31Å; L198-A202 WeakPolarHBondContact O-CB 3.31Å; L198-A202 PolarHBondContact O-N 3.48Å; L199-A202 PolarHBondContact O-N 3.44Å; A202-E205 PolarHBondContact O-N 2.93Å; A202-L206 WeakPolarHBondContact O-CG 3.27Å; A202-L206 PolarHBondContact O-N 3.28Å
203Q95.7Very high94.4Very high16 Ų1682.1 Ų82.18%0.07540%0.4CS..Hα-helixtrans-62-43.7173.5-67.8-162.1147.900111.7L199 L200 W201 E205 L206 D207 Y213 M216L199-Q203 HydrophobicContact CD1-CG 4.29Å; L199-Q203 WeakPolarHBondContact O-CG 3.48Å; L199-Q203 PolarHBondContact O-N 3.5Å; L200-Q203 PolarHBondContact O-N 3.11Å; W201-Q203 VanDerWaalsContact C-N 3.34Å; W201-Q203 PolarHBondContact O-N 3.29Å; Q203-E205 PolarHBondContact O-N 3.42Å; Q203-L206 PolarHBondContact O-N 2.78Å; Q203-D207 PolarHBondContact O-N 3.26Å; Q203-Y213 WeakPolarHBondContact CA-OH 3.3Å; Q203-Y213 HydrophobicContact CB-CE2 4.15Å; Q203-Y213 VanDerWaalsContact CB-OH 3.31Å; Q203-Y213 WeakPolarHBondContact CB-OH 3.43Å; Q203-Y213 HydrophobicContact CG-CE2 3.83Å; Q203-Y213 PolarHBondContact O-OH 3.5Å; Q203-M216 PolarHBondContact NE2-O 3.04Å; Q203-M216 VanDerWaalsContact NE2-O 3.07Å
204N96Very high94.5Very high69 Ų6980.9 Ų80.937%0.36939%0.389SS..Hα-helixtrans-62.5-40.6176.1175.178.2000112.5L200 W201 L206 D207 Q208L200-N204 WeakPolarHBondContact O-CB 3.4Å; L200-N204 PolarHBondContact O-N 3.1Å; W201-N204 WeakPolarHBondContact O-CB 3.29Å; W201-N204 PolarHBondContact O-N 3.18Å; W201-N204 VanDerWaalsContact O-N 3.11Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-L206 PolarHBondContact O-N 3.28Å; N204-D207 PolarHBondContact O-N 2.81Å; N204-Q208 PolarHBondContact ND2-NE2 3.06Å; N204-Q208 VanDerWaalsContact ND2-NE2 3.11Å; N204-Q208 WeakPolarHBondContact O-CG 3.46Å; N204-Q208 PolarHBondContact O-N 3.41Å
205E96.5Very high94.5Very high51 Ų5179.5 Ų79.524%0.23838%0.383CS..Hα-helixtrans-62.5-40.2175.3-71.7-63.1132.900112.3W201 A202 Q203 K209W201-E205 HydrophobicContact CD2-CG 3.95Å; W201-E205 VanDerWaalsContact CE2-CG 3.44Å; W201-E205 HydrophobicContact CE3-CG 4.4Å; W201-E205 HydrophobicContact CH2-CG 4.03Å; W201-E205 HydrophobicContact CZ2-CG 3.5Å; W201-E205 HydrophobicContact CZ3-CG 4.44Å; W201-E205 PolarHBondContact NE1-OE1 3.17Å; W201-E205 WeakPolarHBondContact O-CG 3.38Å; W201-E205 PolarHBondContact O-N 2.96Å; A202-E205 PolarHBondContact O-N 2.93Å; Q203-E205 PolarHBondContact O-N 3.42Å; E205-K209 WeakPolarHBondContact O-CG 3.2Å; E205-K209 PolarHBondContact O-N 3.43Å; E205-K209 VanDerWaalsContact O-N 3.15Å
206L94.2Very high94.5Very high56 Ų5677.6 Ų77.629%0.29337%0.372SS..Hα-helixtrans-66.4-42.1175.2-68.3171.5000111.4A202 Q203 N204 K209 K210 V211 Y213A202-L206 WeakPolarHBondContact O-CG 3.27Å; A202-L206 PolarHBondContact O-N 3.28Å; Q203-L206 PolarHBondContact O-N 2.78Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-L206 PolarHBondContact O-N 3.28Å; L206-K209 CarbonylContact O-C 3.59Å; L206-K209 PolarHBondContact O-N 3.35Å; L206-K210 PolarHBondContact O-N 3.43Å; L206-K210 VanDerWaalsContact O-N 3.11Å; L206-V211 HydrophobicContact CB-CB 4.43Å; L206-V211 HydrophobicContact CD2-CB 4.07Å; L206-V211 HydrophobicContact CD2-CG1 4.12Å; L206-V211 HydrophobicContact CD2-CG2 4.28Å; L206-V211 PolarHBondContact O-N 3.28Å; L206-Y213 HydrophobicContact CB-CD1 3.55Å; L206-Y213 HydrophobicContact CB-CE1 3.34Å; L206-Y213 HydrophobicContact CB-CG 4.28Å; L206-Y213 HydrophobicContact CD1-CD1 3.83Å; L206-Y213 HydrophobicContact CD1-CD2 3.72Å; L206-Y213 HydrophobicContact CD1-CE1 4.11Å; L206-Y213 HydrophobicContact CD1-CE2 3.99Å; L206-Y213 HydrophobicContact CD1-CG 3.66Å; L206-Y213 HydrophobicContact CG-CD1 4.26Å; L206-Y213 HydrophobicContact CG-CE1 4.36Å
207D93.8Very high94.4Very high66 Ų6677.1 Ų77.135%0.35337%0.373SS..Hα-helixtrans-60-46.5175.2-66.8-19.9000111.3Q203 N204 K209 K210 Y213 K215Q203-D207 PolarHBondContact O-N 3.26Å; N204-D207 PolarHBondContact O-N 2.81Å; D207-K209 VanDerWaalsContact C-N 3.26Å; D207-K209 PolarHBondContact O-N 3.42Å; D207-K210 WeakPolarHBondContact O-CA 3.09Å; D207-K210 PolarHBondContact O-N 3.36Å; D207-Y213 VanDerWaalsContact OD1-CE1 3.3Å; D207-Y213 WeakPolarHBondContact OD1-CE1 3.09Å; D207-Y213 PolarHBondContact OD1-OH 2.82Å; D207-K215 IonicContact OD1-NZ 3.14Å; D207-K215 PolarHBondContact OD1-NZ 3.01Å; D207-K215 IonicContact OD2-NZ 3.93Å; D207-K215 PolarHBondContact OD2-NZ 3.38Å
208Q95.1Very high94.4Very high124 Ų12473 Ų7358%0.57936%0.357SS*.Hα-helixtrans-61.8-35178.6-75-177.47.900112.4N204 K210N204-Q208 PolarHBondContact ND2-NE2 3.06Å; N204-Q208 VanDerWaalsContact ND2-NE2 3.11Å; N204-Q208 WeakPolarHBondContact O-CG 3.46Å; N204-Q208 PolarHBondContact O-N 3.41Å; Q208-K210 PolarHBondContact O-N 3.28Å
209K93.7Very high94.1Very high146 Ų14671.5 Ų71.564%0.63535%0.349SS*.THydrogen-bonded Turntrans-82.3-0.1175.6-68.9173.9-175.81690113.3E205 L206 D207 V211E205-K209 WeakPolarHBondContact O-CG 3.2Å; E205-K209 PolarHBondContact O-N 3.43Å; E205-K209 VanDerWaalsContact O-N 3.15Å; L206-K209 CarbonylContact O-C 3.59Å; L206-K209 PolarHBondContact O-N 3.35Å; D207-K209 VanDerWaalsContact C-N 3.26Å; D207-K209 PolarHBondContact O-N 3.42Å; K209-V211 HydrophobicContact CB-CG2 3.89Å; K209-V211 PolarHBondContact O-N 2.88Å
210K91.6Very high93.8Very high188 Ų18873.7 Ų73.782%0.81737%0.37SS*.THydrogen-bonded Turntrans54.433.4-177.1-53.9-178.8-179-178.70112.6L206 D207 Q208L206-K210 PolarHBondContact O-N 3.43Å; L206-K210 VanDerWaalsContact O-N 3.11Å; D207-K210 WeakPolarHBondContact O-CA 3.09Å; D207-K210 PolarHBondContact O-N 3.36Å; Q208-K210 PolarHBondContact O-N 3.28Å
211V91.5Very high93.7Very high71 Ų7177.3 Ų77.343%0.4338%0.382SS..  trans-77.2134.2173.2179.40000107.4L206 K209 Y213L206-V211 HydrophobicContact CB-CB 4.43Å; L206-V211 HydrophobicContact CD2-CB 4.07Å; L206-V211 HydrophobicContact CD2-CG1 4.12Å; L206-V211 HydrophobicContact CD2-CG2 4.28Å; L206-V211 PolarHBondContact O-N 3.28Å; K209-V211 HydrophobicContact CB-CG2 3.89Å; K209-V211 PolarHBondContact O-N 2.88Å; V211-Y213 VanDerWaalsContact O-CD1 3.3Å; V211-Y213 WeakPolarHBondContact O-CD1 3.4Å
212K91.9Very high93.3Very high82 Ų8272.4 Ų72.436%0.35738%0.375SS..  trans-83.4122170.3-69.9-163.6-164.6154.80109.4E9 P227E9-K212 VanDerWaalsContact CD-NZ 3.32Å; E9-K212 HydrophobicContact CG-CB 4.45Å; E9-K212 HydrophobicContact CG-CD 4.4Å; E9-K212 WeakPolarHBondContact OE1-CD 3.34Å; E9-K212 WeakPolarHBondContact OE1-CE 3.28Å; E9-K212 IonicContact OE1-NZ 2.74Å; E9-K212 PolarHBondContact OE1-NZ 3.4Å; E9-K212 IonicContact OE2-NZ 3.95Å; E9-K212 PolarHBondContact OE2-NZ 2.98Å; E9-K212 VanDerWaalsContact OE2-NZ 3.14Å; K212-P227 HydrophobicContact CB-CB 3.81Å
213Y93.2Very high93.2Very high15 Ų1573.6 Ų73.66%0.05938%0.379CS..  trans-148154.2178.366.8-75.9000110.5Q203 L206 D207 V211 K215 P227Q203-Y213 WeakPolarHBondContact CA-OH 3.3Å; Q203-Y213 HydrophobicContact CB-CE2 4.15Å; Q203-Y213 VanDerWaalsContact CB-OH 3.31Å; Q203-Y213 WeakPolarHBondContact CB-OH 3.43Å; Q203-Y213 HydrophobicContact CG-CE2 3.83Å; Q203-Y213 PolarHBondContact O-OH 3.5Å; L206-Y213 HydrophobicContact CB-CD1 3.55Å; L206-Y213 HydrophobicContact CB-CE1 3.34Å; L206-Y213 HydrophobicContact CB-CG 4.28Å; L206-Y213 HydrophobicContact CD1-CD1 3.83Å; L206-Y213 HydrophobicContact CD1-CD2 3.72Å; L206-Y213 HydrophobicContact CD1-CE1 4.11Å; L206-Y213 HydrophobicContact CD1-CE2 3.99Å; L206-Y213 HydrophobicContact CD1-CG 3.66Å; L206-Y213 HydrophobicContact CG-CD1 4.26Å; L206-Y213 HydrophobicContact CG-CE1 4.36Å; D207-Y213 VanDerWaalsContact OD1-CE1 3.3Å; D207-Y213 WeakPolarHBondContact OD1-CE1 3.09Å; D207-Y213 PolarHBondContact OD1-OH 2.82Å; V211-Y213 VanDerWaalsContact O-CD1 3.3Å; V211-Y213 WeakPolarHBondContact O-CD1 3.4Å; Y213-K215 HydrophobicContact CD2-CB 4.43Å; Y213-K215 HydrophobicContact CE2-CB 3.81Å; Y213-K215 HydrophobicContact CE2-CD 4.49Å; Y213-K215 HydrophobicContact CE2-CG 3.92Å; Y213-K215 PolarHBondContact O-N 3.35Å; Y213-K215 WeakPolarHBondContact OH-CD 3.34Å; Y213-P227 WeakPolarHBondContact O-CA 3.37Å
214P93.9Very high93.1Very high2 Ų273.6 Ų73.61%0.01338%0.379CS..  trans-65.5120171.5-25.138.3000110.5K12 W15 I224 E225 P227K12-P214 HydrophobicContact CB-CB 4.37Å; K12-P214 HydrophobicContact CB-CG 4.36Å; W15-P214 HydrophobicContact CB-CB 4.16Å; W15-P214 HydrophobicContact CB-CG 3.64Å; W15-P214 HydrophobicContact CD2-CB 4.37Å; W15-P214 HydrophobicContact CD2-CG 4.21Å; W15-P214 HydrophobicContact CE3-CG 4.42Å; W15-P214 HydrophobicContact CG-CB 3.98Å; W15-P214 HydrophobicContact CG-CG 3.87Å; P214-I224 HydrophobicContact CB-CG2 3.52Å; P214-E225 CarbonylContact C-O 3.6Å; P214-E225 VanDerWaalsContact CA-O 3.22Å; P214-E225 WeakPolarHBondContact CA-O 3.44Å; P214-P227 HydrophobicContact CG-CG 4.02Å
215K94.1Very high92.9Very high69 Ų6973.5 Ų73.530%0.338%0.376SS..EExtended strand (participates in β ladder)trans-105.1128.9-170.2-172.5173.2-174165.40110.9D207 Y213 T217 I224 E225D207-K215 IonicContact OD1-NZ 3.14Å; D207-K215 PolarHBondContact OD1-NZ 3.01Å; D207-K215 IonicContact OD2-NZ 3.93Å; D207-K215 PolarHBondContact OD2-NZ 3.38Å; Y213-K215 HydrophobicContact CD2-CB 4.43Å; Y213-K215 HydrophobicContact CE2-CB 3.81Å; Y213-K215 HydrophobicContact CE2-CD 4.49Å; Y213-K215 HydrophobicContact CE2-CG 3.92Å; Y213-K215 PolarHBondContact O-N 3.35Å; Y213-K215 WeakPolarHBondContact OH-CD 3.34Å; K215-T217 HydrophobicContact CG-CG2 4.48Å; K215-T217 PolarHBondContact O-N 3.3Å; K215-I224 CarbonylContact O-C 3.59Å; K215-I224 WeakPolarHBondContact O-CA 3.24Å; K215-E225 PolarHBondContact N-O 3.04Å; K215-E225 VanDerWaalsContact N-O 3.11Å; K215-E225 PolarHBondContact O-N 3.14Å
216M94.3Very high92.7Very high46 Ų4675.7 Ų75.723%0.22739%0.386CS..EExtended strand (participates in β ladder)trans-72114.1168.1-168.1172.7-70.100109.6L199 Q203 L219 V223 I224L199-M216 HydrophobicContact CD2-SD 3.81Å; Q203-M216 PolarHBondContact NE2-O 3.04Å; Q203-M216 VanDerWaalsContact NE2-O 3.07Å; M216-L219 HydrophobicContact CG-CD2 4.09Å; M216-L219 HydrophobicContact SD-CD2 3.69Å; M216-V223 CarbonylContact C-O 3.59Å; M216-V223 VanDerWaalsContact CA-O 3.29Å; M216-V223 WeakPolarHBondContact CA-O 3.47Å; M216-V223 WeakPolarHBondContact CG-O 3.37Å; M216-I224 HydrophobicContact CB-CG1 4.12Å; M216-I224 HydrophobicContact CE-CD1 4.05Å; M216-I224 HydrophobicContact CE-CG1 4Å; M216-I224 HydrophobicContact CG-CG1 4.34Å
217T93.4Very high92.4Very high65 Ų6574.5 Ų74.540%0.39938%0.382SS..EExtended strand (participates in β ladder)trans-103.6-27-176.355.80000112.9K215 V223 E225K215-T217 HydrophobicContact CG-CG2 4.48Å; K215-T217 PolarHBondContact O-N 3.3Å; T217-V223 PolarHBondContact N-O 2.9Å; T217-E225 WeakPolarHBondContact CB-OE1 3.41Å; T217-E225 HydrophobicContact CG2-CB 4.12Å; T217-E225 VanDerWaalsContact CG2-CD 3.48Å; T217-E225 HydrophobicContact CG2-CG 3.95Å; T217-E225 WeakPolarHBondContact CG2-OE1 3.45Å; T217-E225 PolarHBondContact OG1-OE1 3.3Å
218D93.1Very high91.7Very high45 Ų4581.2 Ų81.224%0.24141%0.408CS..EExtended strand (participates in β ladder)trans-120.6100.8170.9-172.5-22.4000109.5S220 K221 G222 V223D218-S220 VanDerWaalsContact C-N 3.25Å; D218-S220 PolarHBondContact O-N 3.32Å; D218-S220 WeakPolarHBondContact OD1-CA 3.19Å; D218-S220 WeakPolarHBondContact OD1-CB 3.18Å; D218-S220 PolarHBondContact OD1-N 3.42Å; D218-S220 PolarHBondContact OD1-OG 3.48Å; D218-K221 HydrophobicContact CB-CB 4.43Å; D218-K221 PolarHBondContact OD1-N 3.14Å; D218-K221 VanDerWaalsContact OD1-N 3.1Å; D218-K221 VanDerWaalsContact OD2-CD 3.31Å; D218-K221 WeakPolarHBondContact OD2-CD 3.4Å; D218-K221 WeakPolarHBondContact OD2-CG 3.13Å; D218-G222 CarbonylContact O-C 3.55Å; D218-G222 WeakPolarHBondContact O-CA 3.21Å; D218-G222 PolarHBondContact O-N 3.34Å; D218-V223 HydrophobicContact CB-CB 3.88Å; D218-V223 HydrophobicContact CB-CG2 4.01Å; D218-V223 PolarHBondContact N-O 3.42Å; D218-V223 PolarHBondContact O-N 3.42Å
219L90Very high91.6Very high65 Ų6579.1 Ų79.134%0.3440%0.4SS..THydrogen-bonded Turntrans-63.9-30.7177.9-67.1179.6000112.7L199 L200 M216L199-L219 HydrophobicContact CD2-CD2 3.51Å; L199-L219 HydrophobicContact CG-CD2 4.47Å; L200-L219 HydrophobicContact CD1-CD1 4.05Å; L200-L219 HydrophobicContact CD2-CD1 3.88Å; L200-L219 HydrophobicContact CG-CD1 4.07Å; M216-L219 HydrophobicContact CG-CD2 4.09Å; M216-L219 HydrophobicContact SD-CD2 3.69Å
220S88.6Confident91.5Very high105 Ų10575.6 Ų75.673%0.73439%0.387SS*.THydrogen-bonded Turntrans-75.2-33-175.472.90000112.1D218D218-S220 VanDerWaalsContact C-N 3.25Å; D218-S220 PolarHBondContact O-N 3.32Å; D218-S220 WeakPolarHBondContact OD1-CA 3.19Å; D218-S220 WeakPolarHBondContact OD1-CB 3.18Å; D218-S220 PolarHBondContact OD1-N 3.42Å; D218-S220 PolarHBondContact OD1-OG 3.48Å
221K92.8Very high91.4Very high163 Ų16369.3 Ų69.371%0.70936%0.363SS*.THydrogen-bonded Turntrans-103.8-6.5179.2-63.5-178.5-168.2165.80113.7D218 V223D218-K221 HydrophobicContact CB-CB 4.43Å; D218-K221 PolarHBondContact OD1-N 3.14Å; D218-K221 VanDerWaalsContact OD1-N 3.1Å; D218-K221 VanDerWaalsContact OD2-CD 3.31Å; D218-K221 WeakPolarHBondContact OD2-CD 3.4Å; D218-K221 WeakPolarHBondContact OD2-CG 3.13Å; K221-V223 VanDerWaalsContact C-N 3.33Å; K221-V223 HydrophobicContact CB-CG2 3.88Å
222G89.8Confident91.4Very high39 Ų3969.2 Ų69.240%0.40236%0.36SS..THydrogen-bonded Turntrans66.830-175.500000113.6D218 I224D218-G222 CarbonylContact O-C 3.55Å; D218-G222 WeakPolarHBondContact O-CA 3.21Å; D218-G222 PolarHBondContact O-N 3.34Å; G222-I224 PolarHBondContact O-N 3.05Å
223V93.1Very high91.4Very high63 Ų6368.4 Ų68.438%0.38236%0.36SS..EExtended strand (participates in β ladder)trans-75.9122.9-178.2179.60000109.7M216 T217 D218 K221M216-V223 CarbonylContact C-O 3.59Å; M216-V223 VanDerWaalsContact CA-O 3.29Å; M216-V223 WeakPolarHBondContact CA-O 3.47Å; M216-V223 WeakPolarHBondContact CG-O 3.37Å; T217-V223 PolarHBondContact N-O 2.9Å; D218-V223 HydrophobicContact CB-CB 3.88Å; D218-V223 HydrophobicContact CB-CG2 4.01Å; D218-V223 PolarHBondContact N-O 3.42Å; D218-V223 PolarHBondContact O-N 3.42Å; K221-V223 VanDerWaalsContact C-N 3.33Å; K221-V223 HydrophobicContact CB-CG2 3.88Å
224I93.6Very high91.3Very high15 Ų1572 Ų728%0.07738%0.38CS..EExtended strand (participates in β ladder)trans-108.9128.7174.1-60.7176.1000109.2K12 M16 L19 P214 K215 M216 G222K12-I224 WeakPolarHBondContact CE-O 3.42Å; K12-I224 PolarHBondContact NZ-O 2.88Å; M16-I224 HydrophobicContact SD-CD1 3.88Å; L19-I224 HydrophobicContact CD1-CD1 3.74Å; P214-I224 HydrophobicContact CB-CG2 3.52Å; K215-I224 CarbonylContact O-C 3.59Å; K215-I224 WeakPolarHBondContact O-CA 3.24Å; M216-I224 HydrophobicContact CB-CG1 4.12Å; M216-I224 HydrophobicContact CE-CD1 4.05Å; M216-I224 HydrophobicContact CE-CG1 4Å; M216-I224 HydrophobicContact CG-CG1 4.34Å; G222-I224 PolarHBondContact O-N 3.05Å
225E93.6Very high91.1Very high68 Ų6877 Ų7732%0.31841%0.406SS..EExtended strand (participates in β ladder)trans-99.1159.8175.8-75177.4-15100111.7P214 K215 T217 K228P214-E225 CarbonylContact C-O 3.6Å; P214-E225 VanDerWaalsContact CA-O 3.22Å; P214-E225 WeakPolarHBondContact CA-O 3.44Å; K215-E225 PolarHBondContact N-O 3.04Å; K215-E225 VanDerWaalsContact N-O 3.11Å; K215-E225 PolarHBondContact O-N 3.14Å; T217-E225 WeakPolarHBondContact CB-OE1 3.41Å; T217-E225 HydrophobicContact CG2-CB 4.12Å; T217-E225 VanDerWaalsContact CG2-CD 3.48Å; T217-E225 HydrophobicContact CG2-CG 3.95Å; T217-E225 WeakPolarHBondContact CG2-OE1 3.45Å; T217-E225 PolarHBondContact OG1-OE1 3.3Å; E225-K228 WeakPolarHBondContact OE2-CE 3.33Å; E225-K228 IonicContact OE2-NZ 2.73Å; E225-K228 PolarHBondContact OE2-NZ 2.85Å
226E91Very high90.9Very high96 Ų9677.6 Ų77.645%0.44941%0.414SS..PPolyproline II helixtrans-59.9152.9174.1-68.9-65.2165.400112K12 K228K12-E226 HydrophobicContact CB-CG 4.41Å; K12-E226 WeakPolarHBondContact CB-OE1 3.34Å; K12-E226 WeakPolarHBondContact CB-OE2 3.47Å; K12-E226 PolarHBondContact N-OE2 3.48Å; K12-E226 VanDerWaalsContact N-OE2 3.17Å; E226-K228 PolarHBondContact O-N 3.17Å
227P88.4Confident90.6Very high32 Ų3280.3 Ų80.321%0.20843%0.43CS..PPolyproline II helixtrans-55.2129.2171.2-17.928.1000111.9I10 K212 Y213 P214I10-P227 WeakPolarHBondContact O-CG 3.49Å; K212-P227 HydrophobicContact CB-CB 3.81Å; Y213-P227 WeakPolarHBondContact O-CA 3.37Å; P214-P227 HydrophobicContact CG-CG 4.02Å
228K79.8Confident90.3Very high207 Ų20781.6 Ų81.690%0.943%0.433SS*.  trans-1010174.7-68.1179.3-173.4163.50111.2E225 E226E225-K228 WeakPolarHBondContact OE2-CE 3.33Å; E225-K228 IonicContact OE2-NZ 2.73Å; E225-K228 PolarHBondContact OE2-NZ 2.85Å; E226-K228 PolarHBondContact O-N 3.17Å

Retrieved 228 of 228 residues in 70.7 ms (Link to these results)

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