A0A087XLD9_POEFO Loading...

Non-structural maintenance of chromosomes element 1 homolog

RING-type zinc finger-containing E3 ubiquitin ligase that assembles with melanoma antigen protein (MAGE) to catalyze the direct transfer of ubiquitin from E2 ubiquitin-conjugating enzyme to a specific substrate. Involved in maintenance of genome integrity, DNA damage response and DNA repair.

AlphaFold DB , UniProt , Accession A0A087XLD9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 247 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M36.8Very low74.5Confident243 Ų243102.3 Ų102.3100%1.19750%0.497SS*.  0112.70-73177.5170.600107.8R3M1-R3 PolarHBondContact O-N 3.02Å
2S46.1Very low76.1Confident90 Ų9093.8 Ų93.863%0.62946%0.456SS*.PPolyproline II helixtrans-72.2120.8-178.157.30000109.7L4 R57S2-L4 PolarHBondContact O-N 2.67Å; S2-R57 PolarHBondContact OG-NH2 3.08Å
3R57.6Low77.4Confident164 Ų16489.2 Ų89.262%0.61943%0.434SS*.PPolyproline II helixtrans-56.3130.2167.9-72.6179.3177-177.2-2.7107.2M1 L5 E49 R57M1-R3 PolarHBondContact O-N 3.02Å; R3-L5 PolarHBondContact O-N 3.32Å; R3-E49 IonicContact NH1-OE2 3.68Å; R3-E49 PolarHBondContact NH1-OE2 2.91Å; R3-E49 IonicContact NH2-OE2 2.92Å; R3-R57 PolarHBondContact O-NE 2.86Å; R3-R57 PolarHBondContact O-NH2 3.41Å
4L65.3Low78.5Confident159 Ų15991.4 Ų91.483%0.83244%0.443SS*.PPolyproline II helixtrans-69.3123.4176.2-84.4151.9000108S2 G6S2-L4 PolarHBondContact O-N 2.67Å; L4-G6 PolarHBondContact O-N 2.85Å
5L78.3Confident79.5Confident48 Ų4888 Ų8825%0.25143%0.431SS..PPolyproline II helixtrans-72.8117170.7-71.8177.9000108.8R3 H9 I54 R57R3-L5 PolarHBondContact O-N 3.32Å; L5-H9 HydrophobicContact CB-CB 4.32Å; L5-H9 HydrophobicContact CD2-CB 3.65Å; L5-H9 HydrophobicContact CG-CB 4.48Å; L5-I54 HydrophobicContact CD2-CG1 4.09Å; L5-R57 HydrophobicContact CD1-CB 3.59Å; L5-R57 HydrophobicContact CD1-CG 3.49Å; L5-R57 VanDerWaalsContact CD1-CG 3.49Å; L5-R57 HydrophobicContact CD2-CG 4.48Å; L5-R57 HydrophobicContact CG-CB 4.41Å; L5-R57 HydrophobicContact CG-CG 3.78Å
6G84.2Confident80.3Confident27 Ų2782.6 Ų82.628%0.27840%0.404SS..PPolyproline II helixtrans-81.2172167.900000112.8L4 S8 H9 R10L4-G6 PolarHBondContact O-N 2.85Å; G6-S8 PolarHBondContact O-N 2.65Å; G6-H9 PolarHBondContact N-ND1 3.41Å; G6-H9 VanDerWaalsContact N-ND1 3.14Å; G6-H9 WeakPolarHBondContact O-CB 3.26Å; G6-H9 PolarHBondContact O-N 2.84Å; G6-H9 PolarHBondContact O-ND1 2.97Å; G6-R10 PolarHBondContact O-N 2.89Å
7D88.3Confident80.8Confident100 Ų10083.9 Ų83.954%0.53541%0.411SS..Hα-helixtrans-60.4-27.6179.8-66.3-27.1000113.5H9 R10 R11 H38D7-H9 VanDerWaalsContact C-N 3.27Å; D7-H9 PolarHBondContact O-N 3.29Å; D7-R10 PolarHBondContact O-N 2.97Å; D7-R10 VanDerWaalsContact O-N 3.17Å; D7-R11 WeakPolarHBondContact O-CB 3.2Å; D7-R11 PolarHBondContact O-N 3.12Å; D7-H38 WeakPolarHBondContact CB-CE1 3.49Å
8S89.1Confident81.2Confident1 Ų184.2 Ų84.21%0.00743%0.429CS..Hα-helixtrans-56.6-40.4172.155.20000112.7G6 F12 C34 H38G6-S8 PolarHBondContact O-N 2.65Å; S8-F12 WeakPolarHBondContact O-CB 3.37Å; S8-F12 PolarHBondContact O-N 3.42Å; S8-C34 WeakPolarHBondContact CB-O 3.35Å; S8-H38 VanDerWaalsContact CA-CD2 3.46Å; S8-H38 WeakPolarHBondContact CA-CD2 3.42Å; S8-H38 PolarHBondContact N-CD2 3.46Å
9H91.1Very high81.6Confident16 Ų1683.5 Ų83.57%0.07443%0.429CS..Hα-helixtrans-70.7-39.2178.1-56.185.7000111.5L5 G6 D7 F12 L13 F50 I54L5-H9 HydrophobicContact CB-CB 4.32Å; L5-H9 HydrophobicContact CD2-CB 3.65Å; L5-H9 HydrophobicContact CG-CB 4.48Å; G6-H9 PolarHBondContact N-ND1 3.41Å; G6-H9 VanDerWaalsContact N-ND1 3.14Å; G6-H9 WeakPolarHBondContact O-CB 3.26Å; G6-H9 PolarHBondContact O-N 2.84Å; G6-H9 PolarHBondContact O-ND1 2.97Å; D7-H9 VanDerWaalsContact C-N 3.27Å; D7-H9 PolarHBondContact O-N 3.29Å; H9-F12 PolarHBondContact O-N 2.9Å; H9-L13 WeakPolarHBondContact O-CB 3.15Å; H9-L13 PolarHBondContact O-N 2.77Å; H9-F50 HydrophobicContact CB-CZ 4.16Å; H9-F50 AromaticContact CD2-CD2 3.5Å; H9-F50 VanDerWaalsContact CD2-CD2 3.5Å; H9-F50 WeakPolarHBondContact CD2-CD2 3.38Å; H9-F50 AromaticContact CD2-CE2 3.18Å; H9-F50 WeakPolarHBondContact CD2-CE2 3.4Å; H9-F50 AromaticContact CD2-CZ 3.53Å; H9-F50 AromaticContact CE1-CE2 3.75Å; H9-F50 AromaticContact CG-CE2 3.64Å; H9-F50 AromaticContact CG-CZ 3.77Å; H9-F50 AromaticContact ND1-CE2 3.95Å; H9-F50 AromaticContact NE2-CD2 3.37Å; H9-F50 WeakPolarHBondContact NE2-CD2 3.38Å; H9-F50 AromaticContact NE2-CE2 3.29Å; H9-F50 VanDerWaalsContact NE2-CE2 3.29Å; H9-F50 WeakPolarHBondContact NE2-CE2 3.43Å; H9-I54 HydrophobicContact CB-CD1 4.14Å; H9-I54 HydrophobicContact CB-CG1 3.92Å
10R91.3Very high81.9Confident153 Ų15379.5 Ų79.558%0.57741%0.409SS*.Hα-helixtrans-63.8-44.9176.6-63.9179.7-178.9-89.71.3110.7G6 D7 L13 Q14G6-R10 PolarHBondContact O-N 2.89Å; D7-R10 PolarHBondContact O-N 2.97Å; D7-R10 VanDerWaalsContact O-N 3.17Å; R10-L13 PolarHBondContact O-N 2.56Å; R10-Q14 WeakPolarHBondContact O-CB 3.45Å; R10-Q14 VanDerWaalsContact O-CG 3.25Å; R10-Q14 WeakPolarHBondContact O-CG 3.38Å; R10-Q14 PolarHBondContact O-N 3.49Å
11R91.9Very high82.4Confident124 Ų12476.4 Ų76.447%0.46839%0.393SS..Hα-helixtrans-62.1-45.7177.3-177.260.5171.9-140.7-3111.4D7 L13 Q14 T15D7-R11 WeakPolarHBondContact O-CB 3.2Å; D7-R11 PolarHBondContact O-N 3.12Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.43Å; R11-Q14 PolarHBondContact O-N 3.03Å; R11-T15 PolarHBondContact O-N 3.43Å; R11-T15 PolarHBondContact O-OG1 2.81Å
12F93.4Very high85.1Confident1 Ų165.2 Ų65.20%0.00434%0.339CS..Hα-helixtrans-56.1-49.2175.9-174.5-87.1000111.4S8 H9 T15 L16 L30 L47 F50 I51 I54 I65S8-F12 WeakPolarHBondContact O-CB 3.37Å; S8-F12 PolarHBondContact O-N 3.42Å; H9-F12 PolarHBondContact O-N 2.9Å; F12-T15 PolarHBondContact O-N 3.37Å; F12-L16 HydrophobicContact CE1-CD2 4.43Å; F12-L16 WeakPolarHBondContact O-CB 3.27Å; F12-L16 PolarHBondContact O-N 3.01Å; F12-L30 HydrophobicContact CD2-CB 4.33Å; F12-L30 HydrophobicContact CD2-CD2 3.7Å; F12-L30 HydrophobicContact CD2-CG 3.64Å; F12-L30 HydrophobicContact CE2-CB 4.16Å; F12-L30 HydrophobicContact CE2-CD2 3.78Å; F12-L30 HydrophobicContact CE2-CG 3.9Å; F12-L30 HydrophobicContact CG-CD2 4.25Å; F12-L30 HydrophobicContact CG-CG 4.5Å; F12-L30 HydrophobicContact CZ-CD2 4.4Å; F12-L47 HydrophobicContact CE2-CD1 4.22Å; F12-L47 HydrophobicContact CZ-CD1 4.18Å; F12-F50 HydrophobicContact CB-CE1 3.81Å; F12-F50 HydrophobicContact CB-CZ 4.17Å; F12-F50 HydrophobicContact CD1-CE1 4.12Å; F12-F50 AromaticContact CD2-CE1 3.94Å; F12-F50 HydrophobicContact CD2-CE1 3.94Å; F12-F50 AromaticContact CG-CE1 3.69Å; F12-F50 HydrophobicContact CG-CE1 3.69Å; F12-F50 HydrophobicContact CG-CZ 4.5Å; F12-I51 HydrophobicContact CE1-CG1 4.44Å; F12-I54 HydrophobicContact CD1-CD1 3.88Å; F12-I54 HydrophobicContact CG-CD1 4.49Å; F12-I65 HydrophobicContact CD1-CD1 4.31Å; F12-I65 HydrophobicContact CE1-CD1 4.1Å
13L93.1Very high87.4Confident33 Ų3362.7 Ų62.717%0.17332%0.318CS..Hα-helixtrans-63-44.1178.6-177.163.6000112.2H9 R10 R11 T15 L16 M17 L58 I65 L80H9-L13 WeakPolarHBondContact O-CB 3.15Å; H9-L13 PolarHBondContact O-N 2.77Å; R10-L13 PolarHBondContact O-N 2.56Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.43Å; L13-T15 VanDerWaalsContact C-N 3.34Å; L13-T15 PolarHBondContact O-N 3.42Å; L13-L16 PolarHBondContact O-N 2.71Å; L13-M17 HydrophobicContact CD1-CG 4.44Å; L13-M17 HydrophobicContact CG-SD 4.16Å; L13-M17 VanDerWaalsContact O-CG 3.28Å; L13-M17 WeakPolarHBondContact O-CG 3.14Å; L13-M17 PolarHBondContact O-N 3.03Å; L13-L58 HydrophobicContact CD1-CD1 4.18Å; L13-L58 HydrophobicContact CD2-CD2 3.96Å; L13-I65 HydrophobicContact CD1-CD1 4.21Å; L13-I65 HydrophobicContact CD1-CG1 4.43Å; L13-L80 HydrophobicContact CD1-CD1 3.94Å; L13-L80 HydrophobicContact CD1-CD2 3.96Å; L13-L80 HydrophobicContact CD1-CG 4.48Å
14Q93.1Very high89.1Confident120 Ų12056.3 Ų56.356%0.56130%0.296SS*.Hα-helixtrans-59.1-44.5177.1-76.3171.9-16.100112R10 R11 M17 A18R10-Q14 WeakPolarHBondContact O-CB 3.45Å; R10-Q14 VanDerWaalsContact O-CG 3.25Å; R10-Q14 WeakPolarHBondContact O-CG 3.38Å; R10-Q14 PolarHBondContact O-N 3.49Å; R11-Q14 PolarHBondContact O-N 3.03Å; Q14-M17 PolarHBondContact O-N 3.41Å; Q14-A18 PolarHBondContact O-N 2.81Å; Q14-A18 VanDerWaalsContact O-N 3.11Å
15T93.1Very high90.3Very high41 Ų4156 Ų5625%0.25229%0.29SS..Hα-helixtrans-65.8-43.5177.1-60.40000111.2R11 F12 L13 M17 A18 V19 L30R11-T15 PolarHBondContact O-N 3.43Å; R11-T15 PolarHBondContact O-OG1 2.81Å; F12-T15 PolarHBondContact O-N 3.37Å; L13-T15 VanDerWaalsContact C-N 3.34Å; L13-T15 PolarHBondContact O-N 3.42Å; T15-M17 VanDerWaalsContact C-N 3.32Å; T15-M17 PolarHBondContact O-N 3.29Å; T15-A18 PolarHBondContact O-N 3.09Å; T15-V19 HydrophobicContact CG2-CG2 4.32Å; T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 2.82Å; T15-L30 HydrophobicContact CG2-CD1 3.74Å; T15-L30 HydrophobicContact CG2-CD2 3.75Å; T15-L30 HydrophobicContact CG2-CG 4.4Å
16L92Very high91Very high2 Ų258.5 Ų58.51%0.0130%0.3CS..Hα-helixtrans-61.3-40177.5-172.765.1000112.1F12 L13 A18 G20 I65 L80F12-L16 HydrophobicContact CE1-CD2 4.43Å; F12-L16 WeakPolarHBondContact O-CB 3.27Å; F12-L16 PolarHBondContact O-N 3.01Å; L13-L16 PolarHBondContact O-N 2.71Å; L16-A18 PolarHBondContact O-N 3.14Å; L16-G20 WeakPolarHBondContact O-CA 3.3Å; L16-G20 PolarHBondContact O-N 2.91Å; L16-I65 HydrophobicContact CD2-CB 4.38Å; L16-I65 HydrophobicContact CD2-CD1 3.82Å; L16-I65 HydrophobicContact CD2-CG1 3.78Å; L16-I65 HydrophobicContact CD2-CG2 3.79Å; L16-L80 HydrophobicContact CD2-CB 4.39Å
17M89.1Confident91.5Very high104 Ų10457.2 Ų57.251%0.51229%0.287SS..Hα-helixtrans-63.7-39.1175.5-72.3176.172.800112.6L13 Q14 T15 L80L13-M17 HydrophobicContact CD1-CG 4.44Å; L13-M17 HydrophobicContact CG-SD 4.16Å; L13-M17 VanDerWaalsContact O-CG 3.28Å; L13-M17 WeakPolarHBondContact O-CG 3.14Å; L13-M17 PolarHBondContact O-N 3.03Å; Q14-M17 PolarHBondContact O-N 3.41Å; T15-M17 VanDerWaalsContact C-N 3.32Å; T15-M17 PolarHBondContact O-N 3.29Å; M17-L80 HydrophobicContact CG-CD2 3.55Å; M17-L80 HydrophobicContact SD-CD2 4.07Å
18A88.6Confident91.7Very high89 Ų8955.6 Ų55.674%0.73627%0.273SS*.Hα-helixtrans-71.1-37.3-179.800000112.9Q14 T15 L16Q14-A18 PolarHBondContact O-N 2.81Å; Q14-A18 VanDerWaalsContact O-N 3.11Å; T15-A18 PolarHBondContact O-N 3.09Å; L16-A18 PolarHBondContact O-N 3.14Å
19V88.6Confident91.8Very high71 Ų7158.4 Ų58.443%0.4330%0.297SS..Hα-helixtrans-85.1-28-179.2-176.90000111.8T15 I21T15-V19 HydrophobicContact CG2-CG2 4.32Å; T15-V19 WeakPolarHBondContact O-CG2 3.45Å; T15-V19 PolarHBondContact O-N 2.82Å; V19-I21 WeakPolarHBondContact CG1-O 3.47Å; V19-I21 PolarHBondContact O-N 3.33Å; V19-I21 VanDerWaalsContact O-N 3.11Å
20G87.5Confident91.9Very high4 Ų458.7 Ų58.74%0.04130%0.299CS..SBendtrans83.7-47.417900000114L16L16-G20 WeakPolarHBondContact O-CA 3.3Å; L16-G20 PolarHBondContact O-N 2.91Å
21I92.2Very high91.8Very high14 Ų1452.1 Ų52.17%0.07227%0.274CS..EExtended strand (participates in β ladder)trans-144.4139.1176.8-172.2175.1000110.5V19 Y77 Y78 K151 T164 R165 I168V19-I21 WeakPolarHBondContact CG1-O 3.47Å; V19-I21 PolarHBondContact O-N 3.33Å; V19-I21 VanDerWaalsContact O-N 3.11Å; I21-Y77 HydrophobicContact CD1-CD1 3.81Å; I21-Y77 HydrophobicContact CD1-CG 3.85Å; I21-Y77 HydrophobicContact CG1-CD1 3.8Å; I21-Y77 HydrophobicContact CG1-CG 4.14Å; I21-Y78 WeakPolarHBondContact CA-O 3.47Å; I21-K151 HydrophobicContact CG2-CD 4.05Å; I21-T164 HydrophobicContact CD1-CG2 4.17Å; I21-R165 HydrophobicContact CB-CB 4.19Å; I21-R165 HydrophobicContact CB-CG 4.31Å; I21-R165 HydrophobicContact CD1-CB 3.85Å; I21-R165 HydrophobicContact CG2-CB 4.18Å; I21-I168 HydrophobicContact CD1-CD1 4.41Å
22T93.9Very high91.8Very high8 Ų849.5 Ų49.55%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-136.5136.3-175.5-57.60000110.1E26 A27 Y77 Y78T22-E26 HydrophobicContact CG2-CB 3.31Å; T22-E26 HydrophobicContact CG2-CG 4.47Å; T22-A27 HydrophobicContact CG2-CB 4.16Å; T22-Y77 CarbonylContact O-C 3.52Å; T22-Y77 VanDerWaalsContact O-CA 3.3Å; T22-Y77 WeakPolarHBondContact O-CA 3.47Å; T22-Y78 PolarHBondContact N-O 3.49Å; T22-Y78 PolarHBondContact O-N 2.94Å
23D94.1Very high91.6Very high37 Ų3754 Ų5420%0.19829%0.288CS..EExtended strand (participates in β ladder)trans-74.7168176.976.364.4000112.5Q25 E26 A27 Q76 Y77D23-Q25 VanDerWaalsContact C-N 3.33Å; D23-Q25 PolarHBondContact O-N 2.87Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.27Å; D23-Q25 VanDerWaalsContact OD1-CB 3.31Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.44Å; D23-Q25 PolarHBondContact OD1-N 3Å; D23-E26 PolarHBondContact N-OE2 2.52Å; D23-E26 VanDerWaalsContact N-OE2 3.16Å; D23-E26 PolarHBondContact O-N 3.16Å; D23-E26 PolarHBondContact OD1-N 3.46Å; D23-E26 VanDerWaalsContact OD2-CG 3.28Å; D23-E26 WeakPolarHBondContact OD2-CG 3.14Å; D23-A27 VanDerWaalsContact O-CB 3.26Å; D23-A27 WeakPolarHBondContact O-CB 3.21Å; D23-A27 PolarHBondContact O-N 3.46Å; D23-Q76 CarbonylContact C-O 3.59Å; D23-Y77 HydrophobicContact CB-CD1 3.84Å; D23-Y77 HydrophobicContact CB-CE1 3.6Å
24E92.3Very high91.4Very high31 Ų3152.4 Ų52.415%0.14528%0.28CS..Hα-helixtrans-62.5-33.7-177.1-177.8169.617600114.5R28 K67 Q76 Y78E24-R28 WeakPolarHBondContact O-CB 3.45Å; E24-R28 VanDerWaalsContact O-CG 3.27Å; E24-R28 WeakPolarHBondContact O-CG 3.04Å; E24-R28 PolarHBondContact O-N 3.12Å; E24-R28 IonicContact OE1-CZ 3.08Å; E24-R28 IonicContact OE1-NE 3.54Å; E24-R28 PolarHBondContact OE1-NE 3.38Å; E24-R28 IonicContact OE1-NH2 3.63Å; E24-R28 PolarHBondContact OE1-NH2 3.22Å; E24-K67 IonicContact OE1-NZ 2.77Å; E24-K67 IonicContact OE2-NZ 3.97Å; E24-K67 PolarHBondContact OE2-NZ 2.93Å; E24-Q76 HydrophobicContact CB-CB 4.14Å; E24-Q76 PolarHBondContact N-O 2.9Å; E24-Q76 WeakPolarHBondContact OE2-CB 3.4Å; E24-Y78 HydrophobicContact CB-CE2 3.98Å; E24-Y78 HydrophobicContact CG-CE2 4.14Å
25Q91.9Very high91Very high153 Ų15346.8 Ų46.872%0.71525%0.254SS*.Hα-helixtrans-71.4-45.9177.8-58.5-17917.100110.2D23 A27 R28 A29D23-Q25 VanDerWaalsContact C-N 3.33Å; D23-Q25 PolarHBondContact O-N 2.87Å; D23-Q25 WeakPolarHBondContact OD1-CA 3.27Å; D23-Q25 VanDerWaalsContact OD1-CB 3.31Å; D23-Q25 WeakPolarHBondContact OD1-CB 3.44Å; D23-Q25 PolarHBondContact OD1-N 3Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 3.4Å; Q25-R28 PolarHBondContact O-N 3.39Å; Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 3.17Å
26E93.3Very high90.7Very high99 Ų9949.4 Ų49.446%0.46327%0.266SS..Hα-helixtrans-61.5-41.2175.2-69.1176152.400111.8T22 D23 R28 A29 L30T22-E26 HydrophobicContact CG2-CB 3.31Å; T22-E26 HydrophobicContact CG2-CG 4.47Å; D23-E26 PolarHBondContact N-OE2 2.52Å; D23-E26 VanDerWaalsContact N-OE2 3.16Å; D23-E26 PolarHBondContact O-N 3.16Å; D23-E26 PolarHBondContact OD1-N 3.46Å; D23-E26 VanDerWaalsContact OD2-CG 3.28Å; D23-E26 WeakPolarHBondContact OD2-CG 3.14Å; E26-R28 PolarHBondContact O-N 2.99Å; E26-A29 PolarHBondContact O-N 3.27Å; E26-L30 WeakPolarHBondContact O-CB 3.32Å; E26-L30 PolarHBondContact O-N 3.43Å
27A93.2Very high90.5Very high1 Ų153.2 Ų53.21%0.00829%0.289CS..Hα-helixtrans-64.9-40.117800000111.7T22 D23 Q25 L30 Y31 L47 Y78T22-A27 HydrophobicContact CG2-CB 4.16Å; D23-A27 VanDerWaalsContact O-CB 3.26Å; D23-A27 WeakPolarHBondContact O-CB 3.21Å; D23-A27 PolarHBondContact O-N 3.46Å; Q25-A27 VanDerWaalsContact C-N 3.34Å; Q25-A27 PolarHBondContact O-N 3.4Å; A27-L30 PolarHBondContact O-N 2.85Å; A27-Y31 WeakPolarHBondContact O-CB 3.46Å; A27-Y31 PolarHBondContact O-N 2.93Å; A27-L47 HydrophobicContact CB-CD2 4.13Å; A27-Y78 HydrophobicContact CB-CD2 3.7Å; A27-Y78 HydrophobicContact CB-CE2 4.06Å; A27-Y78 HydrophobicContact CB-CG 4.43Å
28R92.3Very high90.2Very high65 Ų6551.6 Ų51.625%0.24528%0.281CS..Hα-helixtrans-65.9-42.2173.6-74.7177.7-174.6-97.11.8111.8E24 Q25 E26 L30 Y31 Q32 P44 D45 L47E24-R28 WeakPolarHBondContact O-CB 3.45Å; E24-R28 VanDerWaalsContact O-CG 3.27Å; E24-R28 WeakPolarHBondContact O-CG 3.04Å; E24-R28 PolarHBondContact O-N 3.12Å; E24-R28 IonicContact OE1-CZ 3.08Å; E24-R28 IonicContact OE1-NE 3.54Å; E24-R28 PolarHBondContact OE1-NE 3.38Å; E24-R28 IonicContact OE1-NH2 3.63Å; E24-R28 PolarHBondContact OE1-NH2 3.22Å; Q25-R28 PolarHBondContact O-N 3.39Å; E26-R28 PolarHBondContact O-N 2.99Å; R28-L30 VanDerWaalsContact C-N 3.35Å; R28-Y31 PolarHBondContact O-N 2.71Å; R28-Q32 PolarHBondContact O-N 2.96Å; R28-P44 PolarHBondContact NH1-O 3.41Å; R28-D45 IonicContact NH1-OD1 3.6Å; R28-D45 PolarHBondContact NH1-OD1 3.44Å; R28-D45 VanDerWaalsContact NH1-OD1 3.08Å; R28-L47 HydrophobicContact CG-CD2 3.69Å
29A92.3Very high89.8Confident61 Ų6156.6 Ų56.650%0.50429%0.286SS..Hα-helixtrans-63-42175.900000111.6Q25 E26 Q32 H33Q25-A29 WeakPolarHBondContact O-CB 3.45Å; Q25-A29 PolarHBondContact O-N 3.17Å; E26-A29 PolarHBondContact O-N 3.27Å; A29-Q32 PolarHBondContact O-N 2.85Å; A29-H33 WeakPolarHBondContact O-CB 3.5Å; A29-H33 PolarHBondContact O-N 3.1Å
30L91.9Very high89.1Confident22 Ų2257.1 Ų57.112%0.11529%0.285CS..Hα-helixtrans-63.3-44.4175.4179.360.7000111.6F12 T15 E26 A27 R28 Q32 H33 C34F12-L30 HydrophobicContact CD2-CB 4.33Å; F12-L30 HydrophobicContact CD2-CD2 3.7Å; F12-L30 HydrophobicContact CD2-CG 3.64Å; F12-L30 HydrophobicContact CE2-CB 4.16Å; F12-L30 HydrophobicContact CE2-CD2 3.78Å; F12-L30 HydrophobicContact CE2-CG 3.9Å; F12-L30 HydrophobicContact CG-CD2 4.25Å; F12-L30 HydrophobicContact CG-CG 4.5Å; F12-L30 HydrophobicContact CZ-CD2 4.4Å; T15-L30 HydrophobicContact CG2-CD1 3.74Å; T15-L30 HydrophobicContact CG2-CD2 3.75Å; T15-L30 HydrophobicContact CG2-CG 4.4Å; E26-L30 WeakPolarHBondContact O-CB 3.32Å; E26-L30 PolarHBondContact O-N 3.43Å; A27-L30 PolarHBondContact O-N 2.85Å; R28-L30 VanDerWaalsContact C-N 3.35Å; L30-Q32 PolarHBondContact O-N 2.85Å; L30-H33 PolarHBondContact O-N 2.89Å; L30-C34 WeakPolarHBondContact O-CB 3.07Å; L30-C34 PolarHBondContact O-N 3.19Å; L30-C34 PolarHBondContact O-SG 3.48Å
31Y91.2Very high88.2Confident14 Ų1462.6 Ų62.66%0.05532%0.319CS..Hα-helixtrans-57.9-48174.9166.3-107.9000111.8A27 R28 H33 C34 C35 C42 L47 F50A27-Y31 WeakPolarHBondContact O-CB 3.46Å; A27-Y31 PolarHBondContact O-N 2.93Å; R28-Y31 PolarHBondContact O-N 2.71Å; Y31-H33 PolarHBondContact O-N 3.39Å; Y31-C34 PolarHBondContact O-N 2.87Å; Y31-C35 WeakPolarHBondContact CE2-SG 3.49Å; Y31-C35 PolarHBondContact O-N 3.35Å; Y31-C35 PolarHBondContact O-SG 3.25Å; Y31-C35 VanDerWaalsContact O-SG 3.33Å; Y31-C42 WeakPolarHBondContact CE1-SG 3.37Å; Y31-L47 HydrophobicContact CD2-CD1 4.4Å; Y31-L47 HydrophobicContact CG-CD1 4.06Å; Y31-F50 HydrophobicContact CD2-CB 4.08Å; Y31-F50 AromaticContact CD2-CD1 3.76Å; Y31-F50 HydrophobicContact CD2-CD1 3.76Å; Y31-F50 AromaticContact CD2-CD2 3.9Å; Y31-F50 HydrophobicContact CD2-CD2 3.9Å; Y31-F50 HydrophobicContact CD2-CE1 4.06Å; Y31-F50 HydrophobicContact CD2-CE2 4.18Å; Y31-F50 AromaticContact CD2-CG 3.65Å; Y31-F50 HydrophobicContact CD2-CG 3.65Å; Y31-F50 HydrophobicContact CD2-CZ 4.24Å; Y31-F50 HydrophobicContact CE2-CB 3.73Å; Y31-F50 HydrophobicContact CE2-CD1 4.15Å; Y31-F50 AromaticContact CE2-CD2 3.52Å; Y31-F50 HydrophobicContact CE2-CD2 3.52Å; Y31-F50 HydrophobicContact CE2-CE2 4.05Å; Y31-F50 AromaticContact CE2-CG 3.54Å; Y31-F50 HydrophobicContact CE2-CG 3.54Å
32Q90.1Very high86.9Confident69 Ų6963.4 Ų63.432%0.32233%0.326SS..Hα-helixtrans-58.5-48.4176.4-174.762.347.400111.1R28 A29 L30 C34 C35 D36 C42R28-Q32 PolarHBondContact O-N 2.96Å; A29-Q32 PolarHBondContact O-N 2.85Å; L30-Q32 PolarHBondContact O-N 2.85Å; Q32-C34 VanDerWaalsContact C-N 3.35Å; Q32-C34 PolarHBondContact O-N 3.11Å; Q32-C35 PolarHBondContact O-N 2.64Å; Q32-C35 VanDerWaalsContact O-N 3.15Å; Q32-D36 PolarHBondContact NE2-OD1 3.14Å; Q32-D36 PolarHBondContact NE2-OD2 3.35Å; Q32-D36 VanDerWaalsContact O-CG 3.26Å; Q32-D36 PolarHBondContact O-N 2.69Å; Q32-C42 PolarHBondContact OE1-SG 3.17Å
33H89.8Confident86Confident96 Ų9665.8 Ų65.844%0.44434%0.34SS..Hα-helixtrans-59.5-42.3178.4179.162.5000112.8A29 L30 Y31 T37A29-H33 WeakPolarHBondContact O-CB 3.5Å; A29-H33 PolarHBondContact O-N 3.1Å; L30-H33 PolarHBondContact O-N 2.89Å; Y31-H33 PolarHBondContact O-N 3.39Å; H33-T37 WeakPolarHBondContact O-CB 3.27Å; H33-T37 PolarHBondContact O-N 3.35Å; H33-T37 PolarHBondContact O-OG1 2.56Å
34C88.5Confident84.7Confident0 Ų068.5 Ų68.50%036%0.36CS..Hα-helixtrans-65.7-37.6176.3-70.60000112.2S8 L30 Y31 Q32 H38S8-C34 WeakPolarHBondContact CB-O 3.35Å; L30-C34 WeakPolarHBondContact O-CB 3.07Å; L30-C34 PolarHBondContact O-N 3.19Å; L30-C34 PolarHBondContact O-SG 3.48Å; Y31-C34 PolarHBondContact O-N 2.87Å; Q32-C34 VanDerWaalsContact C-N 3.35Å; Q32-C34 PolarHBondContact O-N 3.11Å; C34-H38 PolarHBondContact O-CD2 3.27Å; C34-H38 VanDerWaalsContact O-CD2 3.28Å; C34-H38 PolarHBondContact O-N 2.8Å
35C85.8Confident83.9Confident1 Ų173 Ų731%0.00739%0.385CS..Hα-helixtrans-68.1-45176.7-70.50000112.1Y31 Q32 T37 H38 K39 M40 C42Y31-C35 WeakPolarHBondContact CE2-SG 3.49Å; Y31-C35 PolarHBondContact O-N 3.35Å; Y31-C35 PolarHBondContact O-SG 3.25Å; Y31-C35 VanDerWaalsContact O-SG 3.33Å; Q32-C35 PolarHBondContact O-N 2.64Å; Q32-C35 VanDerWaalsContact O-N 3.15Å; C35-T37 PolarHBondContact O-N 3.17Å; C35-H38 CarbonylContact O-C 3.53Å; C35-H38 PolarHBondContact O-N 3.44Å; C35-K39 PolarHBondContact O-N 3.01Å; C35-M40 HydrophobicContact CB-CB 4.35Å; C35-M40 PolarHBondContact O-N 3.44Å; C35-C42 HydrophobicContact CB-CB 3.57Å; C35-C42 VanDerWaalsContact CB-SG 3.58Å; C35-C42 VanDerWaalsContact SG-SG 3.65Å
36D86.3Confident83.6Confident97 Ų9770 Ų7052%0.51937%0.37SS..Hα-helixtrans-63.4-43.7-179.7-66.1-23.1000111.3Q32 H38 K39Q32-D36 PolarHBondContact NE2-OD1 3.14Å; Q32-D36 PolarHBondContact NE2-OD2 3.35Å; Q32-D36 VanDerWaalsContact O-CG 3.26Å; Q32-D36 PolarHBondContact O-N 2.69Å; D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.86Å; D36-K39 PolarHBondContact O-N 3.16Å
37T87.5Confident83.4Confident81 Ų8165.3 Ų65.350%0.49735%0.348SS..Hα-helixtrans-61.5-36.5179-57.50000112.2H33 C35H33-T37 WeakPolarHBondContact O-CB 3.27Å; H33-T37 PolarHBondContact O-N 3.35Å; H33-T37 PolarHBondContact O-OG1 2.56Å; C35-T37 PolarHBondContact O-N 3.17Å
38H83.1Confident83.3Confident71 Ų7169.3 Ų69.333%0.32937%0.369SS..THydrogen-bonded Turntrans-104.111.5-176.6-66.8-75.1000114D7 S8 C34 C35 D36 M40D7-H38 WeakPolarHBondContact CB-CE1 3.49Å; S8-H38 VanDerWaalsContact CA-CD2 3.46Å; S8-H38 WeakPolarHBondContact CA-CD2 3.42Å; S8-H38 PolarHBondContact N-CD2 3.46Å; C34-H38 PolarHBondContact O-CD2 3.27Å; C34-H38 VanDerWaalsContact O-CD2 3.28Å; C34-H38 PolarHBondContact O-N 2.8Å; C35-H38 CarbonylContact O-C 3.53Å; C35-H38 PolarHBondContact O-N 3.44Å; D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 2.86Å; H38-M40 HydrophobicContact CB-CG 4.49Å; H38-M40 PolarHBondContact O-N 3.07Å
39K80Confident83.2Confident194 Ų19470.3 Ų70.384%0.84338%0.376SS*.THydrogen-bonded Turntrans52.636.7178.1-56.1-178.7-179179.50113.7C35 D36C35-K39 PolarHBondContact O-N 3.01Å; D36-K39 PolarHBondContact O-N 3.16Å
40M74.3Confident83.1Confident82 Ų8268 Ų6840%0.40436%0.355SS..  trans-85.4142.9174.7-74.6-90.6-68.300109.7C35 H38 C42C35-M40 HydrophobicContact CB-CB 4.35Å; C35-M40 PolarHBondContact O-N 3.44Å; H38-M40 HydrophobicContact CB-CG 4.49Å; H38-M40 PolarHBondContact O-N 3.07Å; M40-C42 PolarHBondContact O-N 3.33Å
41P68.6Low83.2Confident118 Ų11867.4 Ų67.477%0.76635%0.352SS*.  trans-63104.2172.924.7-30.6000109.2
42C64.8Low83.3Confident32 Ų3271.8 Ų71.822%0.21637%0.373CS..  trans-86.1119.9179.9-159.20000109.6Y31 Q32 C35 M40Y31-C42 WeakPolarHBondContact CE1-SG 3.37Å; Q32-C42 PolarHBondContact OE1-SG 3.17Å; C35-C42 HydrophobicContact CB-CB 3.57Å; C35-C42 VanDerWaalsContact CB-SG 3.58Å; C35-C42 VanDerWaalsContact SG-SG 3.65Å; M40-C42 PolarHBondContact O-N 3.33Å
43T75.4Confident83.4Confident57 Ų5769 Ų6935%0.3536%0.362SS..  trans-105.2122.8169.442.90000108.4D45 K46T43-D45 PolarHBondContact O-N 2.98Å; T43-K46 PolarHBondContact O-N 3.46Å; T43-K46 VanDerWaalsContact O-N 3.15Å; T43-K46 WeakPolarHBondContact OG1-CB 3.49Å; T43-K46 WeakPolarHBondContact OG1-CD 3.41Å; T43-K46 WeakPolarHBondContact OG1-CE 3.43Å; T43-K46 WeakPolarHBondContact OG1-CG 3.4Å
44P65.3Low83.6Confident94 Ų9464.6 Ų64.661%0.6134%0.342SS*.THydrogen-bonded Turntrans-55.3-13.9-169.6-29.234.3000117.6R28R28-P44 PolarHBondContact NH1-O 3.41Å
45D75.5Confident83.9Confident127 Ų12764.7 Ų64.768%0.67934%0.342SS*.THydrogen-bonded Turntrans-121.918.2-176.5-71.4-45.8000114.9R28 T43R28-D45 IonicContact NH1-OD1 3.6Å; R28-D45 PolarHBondContact NH1-OD1 3.44Å; R28-D45 VanDerWaalsContact NH1-OD1 3.08Å; T43-D45 PolarHBondContact O-N 2.98Å
46K85.8Confident84.2Confident89 Ų8968.5 Ų68.539%0.38737%0.368SS..  trans-101.422.1177.5-67.9-163.1-168.3-175.50114.7T43 D48 E49 F50T43-K46 PolarHBondContact O-N 3.46Å; T43-K46 VanDerWaalsContact O-N 3.15Å; T43-K46 WeakPolarHBondContact OG1-CB 3.49Å; T43-K46 WeakPolarHBondContact OG1-CD 3.41Å; T43-K46 WeakPolarHBondContact OG1-CE 3.43Å; T43-K46 WeakPolarHBondContact OG1-CG 3.4Å; K46-D48 VanDerWaalsContact C-N 3.32Å; K46-D48 PolarHBondContact O-N 3.07Å; K46-E49 HydrophobicContact CB-CB 4.35Å; K46-E49 PolarHBondContact O-N 3.33Å; K46-F50 VanDerWaalsContact O-CB 3.28Å; K46-F50 WeakPolarHBondContact O-CB 3.39Å; K46-F50 PolarHBondContact O-N 2.98Å
47L89.4Confident84.5Confident1 Ų168.3 Ų68.31%0.00536%0.361CS..Hα-helixtrans-58-45.2175.7177.661.3000111.4F12 A27 R28 Y31 F50 I51 Y78F12-L47 HydrophobicContact CE2-CD1 4.22Å; F12-L47 HydrophobicContact CZ-CD1 4.18Å; A27-L47 HydrophobicContact CB-CD2 4.13Å; R28-L47 HydrophobicContact CG-CD2 3.69Å; Y31-L47 HydrophobicContact CD2-CD1 4.4Å; Y31-L47 HydrophobicContact CG-CD1 4.06Å; L47-F50 WeakPolarHBondContact O-CB 3.44Å; L47-F50 PolarHBondContact O-N 2.79Å; L47-I51 HydrophobicContact CD1-CD1 3.88Å; L47-I51 HydrophobicContact CD1-CG1 4.11Å; L47-I51 HydrophobicContact CD2-CD1 4.49Å; L47-I51 HydrophobicContact CG-CD1 3.86Å; L47-I51 HydrophobicContact CG-CG1 4.45Å; L47-I51 WeakPolarHBondContact O-CG1 3.05Å; L47-I51 PolarHBondContact O-N 2.87Å; L47-Y78 HydrophobicContact CD2-CE2 4.46Å
48D90.8Very high84.7Confident85 Ų8565.2 Ų65.246%0.45534%0.341SS..Hα-helixtrans-64.6-44.6-179.4-64.1-37.8000111.3K46 F50 I51 E52K46-D48 VanDerWaalsContact C-N 3.32Å; K46-D48 PolarHBondContact O-N 3.07Å; D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 3.45Å; D48-I51 PolarHBondContact O-N 2.72Å; D48-E52 WeakPolarHBondContact O-CB 3.43Å; D48-E52 WeakPolarHBondContact O-CG 3.34Å; D48-E52 PolarHBondContact O-N 2.72Å
49E90.6Very high85.1Confident85 Ų8566.5 Ų66.540%0.39735%0.347SS..Hα-helixtrans-61-35.8174.1-72.4-171.2-137.600112.9R3 K46 A53R3-E49 IonicContact NH1-OE2 3.68Å; R3-E49 PolarHBondContact NH1-OE2 2.91Å; R3-E49 IonicContact NH2-OE2 2.92Å; K46-E49 HydrophobicContact CB-CB 4.35Å; K46-E49 PolarHBondContact O-N 3.33Å; E49-A53 PolarHBondContact O-N 2.63Å; E49-A53 VanDerWaalsContact O-N 3.09Å
50F90.8Very high85.6Confident14 Ų1462.3 Ų62.36%0.06134%0.339CS..Hα-helixtrans-68.6-44.2177.6-179.4-93.7000111.2H9 F12 Y31 K46 L47 D48 A53 I54H9-F50 HydrophobicContact CB-CZ 4.16Å; H9-F50 AromaticContact CD2-CD2 3.5Å; H9-F50 VanDerWaalsContact CD2-CD2 3.5Å; H9-F50 WeakPolarHBondContact CD2-CD2 3.38Å; H9-F50 AromaticContact CD2-CE2 3.18Å; H9-F50 WeakPolarHBondContact CD2-CE2 3.4Å; H9-F50 AromaticContact CD2-CZ 3.53Å; H9-F50 AromaticContact CE1-CE2 3.75Å; H9-F50 AromaticContact CG-CE2 3.64Å; H9-F50 AromaticContact CG-CZ 3.77Å; H9-F50 AromaticContact ND1-CE2 3.95Å; H9-F50 AromaticContact NE2-CD2 3.37Å; H9-F50 WeakPolarHBondContact NE2-CD2 3.38Å; H9-F50 AromaticContact NE2-CE2 3.29Å; H9-F50 VanDerWaalsContact NE2-CE2 3.29Å; H9-F50 WeakPolarHBondContact NE2-CE2 3.43Å; F12-F50 HydrophobicContact CB-CE1 3.81Å; F12-F50 HydrophobicContact CB-CZ 4.17Å; F12-F50 HydrophobicContact CD1-CE1 4.12Å; F12-F50 AromaticContact CD2-CE1 3.94Å; F12-F50 HydrophobicContact CD2-CE1 3.94Å; F12-F50 AromaticContact CG-CE1 3.69Å; F12-F50 HydrophobicContact CG-CE1 3.69Å; F12-F50 HydrophobicContact CG-CZ 4.5Å; Y31-F50 HydrophobicContact CD2-CB 4.08Å; Y31-F50 AromaticContact CD2-CD1 3.76Å; Y31-F50 HydrophobicContact CD2-CD1 3.76Å; Y31-F50 AromaticContact CD2-CD2 3.9Å; Y31-F50 HydrophobicContact CD2-CD2 3.9Å; Y31-F50 HydrophobicContact CD2-CE1 4.06Å; Y31-F50 HydrophobicContact CD2-CE2 4.18Å; Y31-F50 AromaticContact CD2-CG 3.65Å; Y31-F50 HydrophobicContact CD2-CG 3.65Å; Y31-F50 HydrophobicContact CD2-CZ 4.24Å; Y31-F50 HydrophobicContact CE2-CB 3.73Å; Y31-F50 HydrophobicContact CE2-CD1 4.15Å; Y31-F50 AromaticContact CE2-CD2 3.52Å; Y31-F50 HydrophobicContact CE2-CD2 3.52Å; Y31-F50 HydrophobicContact CE2-CE2 4.05Å; Y31-F50 AromaticContact CE2-CG 3.54Å; Y31-F50 HydrophobicContact CE2-CG 3.54Å; K46-F50 VanDerWaalsContact O-CB 3.28Å; K46-F50 WeakPolarHBondContact O-CB 3.39Å; K46-F50 PolarHBondContact O-N 2.98Å; L47-F50 WeakPolarHBondContact O-CB 3.44Å; L47-F50 PolarHBondContact O-N 2.79Å; D48-F50 VanDerWaalsContact C-N 3.27Å; D48-F50 PolarHBondContact O-N 3.45Å; F50-A53 WeakPolarHBondContact O-CB 3.45Å; F50-A53 PolarHBondContact O-N 3.06Å; F50-I54 HydrophobicContact CD1-CD1 3.94Å; F50-I54 HydrophobicContact CE1-CD1 3.61Å; F50-I54 HydrophobicContact CZ-CD1 4.34Å; F50-I54 WeakPolarHBondContact O-CG1 3.25Å; F50-I54 PolarHBondContact O-N 3.24Å
51I93.3Very high86.4Confident8 Ų863.8 Ų63.84%0.04135%0.347CS..Hα-helixtrans-63.4-41.9174.5-71.2172.3000110.6F12 L47 D48 A53 I54 N55 I65 Y78F12-I51 HydrophobicContact CE1-CG1 4.44Å; L47-I51 HydrophobicContact CD1-CD1 3.88Å; L47-I51 HydrophobicContact CD1-CG1 4.11Å; L47-I51 HydrophobicContact CD2-CD1 4.49Å; L47-I51 HydrophobicContact CG-CD1 3.86Å; L47-I51 HydrophobicContact CG-CG1 4.45Å; L47-I51 WeakPolarHBondContact O-CG1 3.05Å; L47-I51 PolarHBondContact O-N 2.87Å; D48-I51 PolarHBondContact O-N 2.72Å; I51-A53 VanDerWaalsContact C-N 3.3Å; I51-A53 PolarHBondContact O-N 3.12Å; I51-I54 WeakPolarHBondContact O-CA 3.29Å; I51-I54 WeakPolarHBondContact O-CB 3.42Å; I51-I54 PolarHBondContact O-N 3.11Å; I51-I54 VanDerWaalsContact O-N 3.08Å; I51-N55 WeakPolarHBondContact CG2-ND2 3.17Å; I51-N55 WeakPolarHBondContact O-CB 3.39Å; I51-N55 PolarHBondContact O-N 3.13Å; I51-I65 HydrophobicContact CD1-CG2 4.43Å; I51-I65 HydrophobicContact CG2-CB 3.94Å; I51-I65 HydrophobicContact CG2-CG2 3.98Å; I51-Y78 HydrophobicContact CD1-CD1 3.67Å; I51-Y78 HydrophobicContact CD1-CE1 3.58Å
52E93.1Very high87.3Confident106 Ų10664.5 Ų64.550%0.49534%0.338SS..Hα-helixtrans-63.1-35.9176.9-76.6-53141.400113D48 I54 N55 S56D48-E52 WeakPolarHBondContact O-CB 3.43Å; D48-E52 WeakPolarHBondContact O-CG 3.34Å; D48-E52 PolarHBondContact O-N 2.72Å; E52-I54 VanDerWaalsContact C-N 3.32Å; E52-I54 PolarHBondContact O-N 2.98Å; E52-N55 PolarHBondContact O-N 3.39Å; E52-S56 WeakPolarHBondContact O-CB 3.31Å; E52-S56 PolarHBondContact O-N 2.9Å; E52-S56 PolarHBondContact O-OG 2.74Å
53A92.4Very high88.6Confident11 Ų1165 Ų659%0.09134%0.338CS..Hα-helixtrans-63.4-38.7172.900000112.1E49 F50 I51E49-A53 PolarHBondContact O-N 2.63Å; E49-A53 VanDerWaalsContact O-N 3.09Å; F50-A53 WeakPolarHBondContact O-CB 3.45Å; F50-A53 PolarHBondContact O-N 3.06Å; I51-A53 VanDerWaalsContact C-N 3.3Å; I51-A53 PolarHBondContact O-N 3.12Å
54I93.6Very high89.4Confident4 Ų464.3 Ų64.32%0.02133%0.331CS..Hα-helixtrans-66.2-52.8173.8-63.9171.6000110.1L5 H9 F12 F50 I51 E52 S56 R57 L58 I65L5-I54 HydrophobicContact CD2-CG1 4.09Å; H9-I54 HydrophobicContact CB-CD1 4.14Å; H9-I54 HydrophobicContact CB-CG1 3.92Å; F12-I54 HydrophobicContact CD1-CD1 3.88Å; F12-I54 HydrophobicContact CG-CD1 4.49Å; F50-I54 HydrophobicContact CD1-CD1 3.94Å; F50-I54 HydrophobicContact CE1-CD1 3.61Å; F50-I54 HydrophobicContact CZ-CD1 4.34Å; F50-I54 WeakPolarHBondContact O-CG1 3.25Å; F50-I54 PolarHBondContact O-N 3.24Å; I51-I54 WeakPolarHBondContact O-CA 3.29Å; I51-I54 WeakPolarHBondContact O-CB 3.42Å; I51-I54 PolarHBondContact O-N 3.11Å; I51-I54 VanDerWaalsContact O-N 3.08Å; E52-I54 VanDerWaalsContact C-N 3.32Å; E52-I54 PolarHBondContact O-N 2.98Å; I54-S56 VanDerWaalsContact C-N 3.28Å; I54-S56 PolarHBondContact O-N 2.77Å; I54-R57 WeakPolarHBondContact O-CB 3.46Å; I54-R57 PolarHBondContact O-N 3.28Å; I54-L58 HydrophobicContact CG2-CD1 3.63Å; I54-L58 HydrophobicContact CG2-CG 3.92Å; I54-L58 PolarHBondContact O-N 3.35Å; I54-L58 VanDerWaalsContact O-N 3.07Å; I54-I65 HydrophobicContact CB-CD1 4.34Å; I54-I65 HydrophobicContact CD1-CD1 4.17Å; I54-I65 HydrophobicContact CG2-CD1 3.81Å
55N95.1Very high90.8Very high2 Ų260 Ų601%0.01130%0.302CS..Hα-helixtrans-55-43.9-177.8-76.8-17.1000111.6I51 E52 R57 L58 Q59 Q64 I65I51-N55 WeakPolarHBondContact CG2-ND2 3.17Å; I51-N55 WeakPolarHBondContact O-CB 3.39Å; I51-N55 PolarHBondContact O-N 3.13Å; E52-N55 PolarHBondContact O-N 3.39Å; N55-R57 PolarHBondContact O-N 3.39Å; N55-L58 PolarHBondContact O-N 2.69Å; N55-Q59 WeakPolarHBondContact O-CG 3.46Å; N55-Q59 PolarHBondContact O-N 2.99Å; N55-Q64 HydrophobicContact CB-CG 4.08Å; N55-Q64 WeakPolarHBondContact ND2-CG 3.46Å; N55-Q64 WeakPolarHBondContact OD1-CG 3.43Å; N55-I65 PolarHBondContact ND2-O 3.08Å; N55-I65 PolarHBondContact OD1-N 2.9Å
56S93.5Very high91.7Very high80 Ų8056.6 Ų56.656%0.55928%0.28SS*.Hα-helixtrans-53.5-26.1176.2-62.90000114.1E52 I54E52-S56 WeakPolarHBondContact O-CB 3.31Å; E52-S56 PolarHBondContact O-N 2.9Å; E52-S56 PolarHBondContact O-OG 2.74Å; I54-S56 VanDerWaalsContact C-N 3.28Å; I54-S56 PolarHBondContact O-N 2.77Å
57R91.9Very high92Very high94 Ų9456 Ų5636%0.35528%0.278SS..Hα-helixtrans-98.3-21177.5-63-68.1-163.7134.12.6113.4S2 R3 L5 I54 N55 P60 M61S2-R57 PolarHBondContact OG-NH2 3.08Å; R3-R57 PolarHBondContact O-NE 2.86Å; R3-R57 PolarHBondContact O-NH2 3.41Å; L5-R57 HydrophobicContact CD1-CB 3.59Å; L5-R57 HydrophobicContact CD1-CG 3.49Å; L5-R57 VanDerWaalsContact CD1-CG 3.49Å; L5-R57 HydrophobicContact CD2-CG 4.48Å; L5-R57 HydrophobicContact CG-CB 4.41Å; L5-R57 HydrophobicContact CG-CG 3.78Å; I54-R57 WeakPolarHBondContact O-CB 3.46Å; I54-R57 PolarHBondContact O-N 3.28Å; N55-R57 PolarHBondContact O-N 3.39Å; R57-P60 WeakPolarHBondContact O-CD 3.33Å; R57-M61 WeakPolarHBondContact O-CE 3.41Å
58L92.2Very high92.2Very high15 Ų1556.3 Ų56.38%0.07928%0.281CS..Hα-helixtrans-81.6-24.3174.6-64.7-176.8000112.8L13 I54 N55 P60 M61 F62 M63 I65 L80L13-L58 HydrophobicContact CD1-CD1 4.18Å; L13-L58 HydrophobicContact CD2-CD2 3.96Å; I54-L58 HydrophobicContact CG2-CD1 3.63Å; I54-L58 HydrophobicContact CG2-CG 3.92Å; I54-L58 PolarHBondContact O-N 3.35Å; I54-L58 VanDerWaalsContact O-N 3.07Å; N55-L58 PolarHBondContact O-N 2.69Å; L58-P60 VanDerWaalsContact C-CD 3.46Å; L58-M61 HydrophobicContact CB-CE 4.49Å; L58-M61 HydrophobicContact CD2-CE 3.55Å; L58-M61 WeakPolarHBondContact O-CA 3.48Å; L58-M61 WeakPolarHBondContact O-CB 3.14Å; L58-M61 PolarHBondContact O-N 3.01Å; L58-F62 PolarHBondContact O-N 2.98Å; L58-M63 CarbonylContact C-O 3.53Å; L58-M63 VanDerWaalsContact C-O 3.29Å; L58-M63 HydrophobicContact CB-CB 4.06Å; L58-M63 WeakPolarHBondContact CB-O 3.3Å; L58-M63 HydrophobicContact CD1-CB 4.49Å; L58-M63 PolarHBondContact O-N 3.04Å; L58-I65 HydrophobicContact CD1-CG1 4.32Å; L58-L80 HydrophobicContact CD1-CD1 3.7Å
59Q90.3Very high92.3Very high99 Ų9953.3 Ų53.346%0.46326%0.264SS..G310 helixtrans-47.4-45.9179.3-77.8-64.9-55.300114.6N55 M61 F62N55-Q59 WeakPolarHBondContact O-CG 3.46Å; N55-Q59 PolarHBondContact O-N 2.99Å; Q59-M61 PolarHBondContact O-N 2.77Å; Q59-M61 VanDerWaalsContact O-N 3.12Å; Q59-F62 PolarHBondContact O-N 3.42Å
60P91.9Very high92.5Very high105 Ų10549.5 Ų49.568%0.68225%0.247SC*.G310 helixtrans-63.9-18178.8-2234.7000114.5R57 L58R57-P60 WeakPolarHBondContact O-CD 3.33Å; L58-P60 VanDerWaalsContact C-CD 3.46Å
61M89.4Confident92.6Very high114 Ų11449.4 Ų49.456%0.56225%0.247SC*.G310 helixtrans-98.57.9176.4-61.8172-70.900111.7R57 L58 Q59 M63R57-M61 WeakPolarHBondContact O-CE 3.41Å; L58-M61 HydrophobicContact CB-CE 4.49Å; L58-M61 HydrophobicContact CD2-CE 3.55Å; L58-M61 WeakPolarHBondContact O-CA 3.48Å; L58-M61 WeakPolarHBondContact O-CB 3.14Å; L58-M61 PolarHBondContact O-N 3.01Å; Q59-M61 PolarHBondContact O-N 2.77Å; Q59-M61 VanDerWaalsContact O-N 3.12Å; M61-M63 HydrophobicContact CB-CG 4.27Å; M61-M63 PolarHBondContact O-N 2.95Å
62F89.4Confident92.3Very high133 Ų13354 Ų5458%0.58327%0.268SS*.THydrogen-bonded Turntrans55.328.6-173.2-55.1-85.7000113L58 Q59 N82 M83L58-F62 PolarHBondContact O-N 2.98Å; Q59-F62 PolarHBondContact O-N 3.42Å; F62-N82 PolarHBondContact O-OD1 2.96Å; F62-M83 HydrophobicContact CB-CB 4.48Å; F62-M83 WeakPolarHBondContact O-CA 3.43Å; F62-M83 VanDerWaalsContact O-CB 3.3Å; F62-M83 WeakPolarHBondContact O-CB 3.3Å; F62-M83 PolarHBondContact O-N 2.88Å
63M90.8Very high92.1Very high42 Ų4250.9 Ų50.921%0.20726%0.255CS..EExtended strand (participates in β ladder)trans-108.2146.6177.6-64.4-62.3-7400110.1L58 M61 L80 V81 N82L58-M63 CarbonylContact C-O 3.53Å; L58-M63 VanDerWaalsContact C-O 3.29Å; L58-M63 HydrophobicContact CB-CB 4.06Å; L58-M63 WeakPolarHBondContact CB-O 3.3Å; L58-M63 HydrophobicContact CD1-CB 4.49Å; L58-M63 PolarHBondContact O-N 3.04Å; M61-M63 HydrophobicContact CB-CG 4.27Å; M61-M63 PolarHBondContact O-N 2.95Å; M63-L80 HydrophobicContact CB-CD1 4.34Å; M63-L80 HydrophobicContact CE-CD1 4.16Å; M63-L80 HydrophobicContact CE-CD2 3.7Å; M63-L80 HydrophobicContact CE-CG 3.59Å; M63-V81 CarbonylContact C-O 3.45Å; M63-V81 WeakPolarHBondContact CA-O 3.27Å; M63-N82 HydrophobicContact CE-CB 4.35Å; M63-N82 WeakPolarHBondContact SD-CA 3.41Å; M63-N82 HydrophobicContact SD-CB 3.58Å; M63-N82 VanDerWaalsContact SD-CB 3.58Å
64Q93Very high92Very high43 Ų4350.3 Ų50.320%0.20125%0.25CS..EExtended strand (participates in β ladder)trans-151.6137.6175.9-165.1179.9-5.800111.3N55 R66 V81 M83N55-Q64 HydrophobicContact CB-CG 4.08Å; N55-Q64 WeakPolarHBondContact ND2-CG 3.46Å; N55-Q64 WeakPolarHBondContact OD1-CG 3.43Å; Q64-R66 HydrophobicContact CB-CG 4.29Å; Q64-R66 HydrophobicContact CG-CG 4.18Å; Q64-R66 PolarHBondContact O-N 3.13Å; Q64-V81 PolarHBondContact N-O 3.25Å; Q64-V81 PolarHBondContact O-N 2.89Å; Q64-M83 HydrophobicContact CB-CG 4.14Å; Q64-M83 HydrophobicContact CB-SD 4.36Å
65I94.8Very high92Very high3 Ų353.4 Ų53.42%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-76.2116.7164-57.9174.7000107.5F12 L13 L16 I51 I54 N55 L58 Y78 A79 L80F12-I65 HydrophobicContact CD1-CD1 4.31Å; F12-I65 HydrophobicContact CE1-CD1 4.1Å; L13-I65 HydrophobicContact CD1-CD1 4.21Å; L13-I65 HydrophobicContact CD1-CG1 4.43Å; L16-I65 HydrophobicContact CD2-CB 4.38Å; L16-I65 HydrophobicContact CD2-CD1 3.82Å; L16-I65 HydrophobicContact CD2-CG1 3.78Å; L16-I65 HydrophobicContact CD2-CG2 3.79Å; I51-I65 HydrophobicContact CD1-CG2 4.43Å; I51-I65 HydrophobicContact CG2-CB 3.94Å; I51-I65 HydrophobicContact CG2-CG2 3.98Å; I54-I65 HydrophobicContact CB-CD1 4.34Å; I54-I65 HydrophobicContact CD1-CD1 4.17Å; I54-I65 HydrophobicContact CG2-CD1 3.81Å; N55-I65 PolarHBondContact ND2-O 3.08Å; N55-I65 PolarHBondContact OD1-N 2.9Å; L58-I65 HydrophobicContact CD1-CG1 4.32Å; I65-Y78 HydrophobicContact CG2-CD1 4.39Å; I65-A79 WeakPolarHBondContact CA-O 3.42Å; I65-L80 HydrophobicContact CG1-CD1 3.98Å
66R93.1Very high91.9Very high55 Ų5555.4 Ų55.421%0.20827%0.274CS..EExtended strand (participates in β ladder)trans-113.3147.7179.2-67.7-165.766.7-152.8-8.6111.4Q64 Y78 A79 V81 I168 E171Q64-R66 HydrophobicContact CB-CG 4.29Å; Q64-R66 HydrophobicContact CG-CG 4.18Å; Q64-R66 PolarHBondContact O-N 3.13Å; R66-Y78 WeakPolarHBondContact O-CA 3.48Å; R66-A79 PolarHBondContact N-O 3.18Å; R66-A79 PolarHBondContact O-N 2.81Å; R66-A79 VanDerWaalsContact O-N 3.09Å; R66-V81 HydrophobicContact CB-CG2 3.91Å; R66-V81 HydrophobicContact CG-CB 4.36Å; R66-V81 HydrophobicContact CG-CG2 4.08Å; R66-I168 HydrophobicContact CB-CG2 4.18Å; R66-E171 IonicContact CZ-OE2 3.19Å; R66-E171 IonicContact NH1-OE2 2.74Å; R66-E171 PolarHBondContact NH1-OE2 2.93Å; R66-E171 IonicContact NH2-OE2 2.76Å; R66-E171 PolarHBondContact NH2-OE2 3.11Å
67K92.8Very high92Very high78 Ų7853.8 Ų53.834%0.33926%0.255SS..EExtended strand (participates in β ladder)trans-93.8134.3171.5-171.3175.2-171.8162.50109.3E24 Q76 Y77 Y78E24-K67 IonicContact OE1-NZ 2.77Å; E24-K67 IonicContact OE2-NZ 3.97Å; E24-K67 PolarHBondContact OE2-NZ 2.93Å; K67-Q76 VanDerWaalsContact CE-CB 3.46Å; K67-Q76 VanDerWaalsContact CE-CG 3.47Å; K67-Q76 HydrophobicContact CG-CB 4.45Å; K67-Y77 CarbonylContact C-O 3.55Å; K67-Y77 VanDerWaalsContact CA-O 3.3Å; K67-Y77 WeakPolarHBondContact CA-O 3.49Å; K67-Y78 HydrophobicContact CB-CD1 4.09Å; K67-Y78 HydrophobicContact CB-CE1 3.8Å; K67-Y78 HydrophobicContact CD-CE1 3.95Å; K67-Y78 WeakPolarHBondContact CE-OH 3.44Å; K67-Y78 HydrophobicContact CG-CD1 4.38Å; K67-Y78 HydrophobicContact CG-CE1 3.86Å; K67-Y78 PolarHBondContact NZ-OH 3.25Å; K67-Y78 VanDerWaalsContact NZ-OH 3.17Å
68G92.8Very high92.1Very high7 Ų749.5 Ų49.57%0.07224%0.239CC..EExtended strand (participates in β ladder)trans-142.5153.5173.900000112.4Q76 Y77G68-Q76 WeakPolarHBondContact O-CA 3.39Å; G68-Q76 PolarHBondContact O-OE1 3.2Å; G68-Y77 PolarHBondContact N-O 3.11Å; G68-Y77 PolarHBondContact O-N 2.86Å
69M94.3Very high92.2Very high22 Ų2248.8 Ų48.811%0.10824%0.236CC..EExtended strand (participates in β ladder)trans-99.2133.8-178.7-174.7-174.271.300109.9E71 G74 H75 H208 P210 R214M69-E71 PolarHBondContact O-N 3.21Å; M69-G74 WeakPolarHBondContact CG-O 3.48Å; M69-H75 WeakPolarHBondContact CA-O 3.28Å; M69-H208 HydrophobicContact CE-CB 3.97Å; M69-P210 HydrophobicContact CE-CB 3.88Å; M69-P210 HydrophobicContact CE-CG 4.16Å; M69-P210 HydrophobicContact SD-CB 3.89Å; M69-R214 PolarHBondContact SD-NH1 2.74Å
70S93.9Very high92.3Very high5 Ų544.7 Ų44.74%0.03522%0.217CC..  trans-67.6129.9168.9177.80000110.6E72 N73 G74 H75 T164S70-E72 PolarHBondContact O-N 3.46Å; S70-E72 PolarHBondContact OG-N 3.35Å; S70-N73 WeakPolarHBondContact CB-OD1 3.38Å; S70-N73 PolarHBondContact OG-OD1 2.82Å; S70-G74 WeakPolarHBondContact O-CA 3.25Å; S70-G74 PolarHBondContact O-N 2.85Å; S70-H75 PolarHBondContact N-O 2.91Å; S70-T164 WeakPolarHBondContact CA-OG1 3.41Å; S70-T164 VanDerWaalsContact CB-OG1 3.3Å; S70-T164 WeakPolarHBondContact CB-OG1 3.37Å; S70-T164 PolarHBondContact OG-OG1 3.3Å
71E93Very high92.2Very high11 Ų1139.7 Ų39.75%0.05119%0.185CC..THydrogen-bonded Turntrans-71.3-18.5176-58-167.916700112.6M69 I167 A192 F193 Q194 H208 P210M69-E71 PolarHBondContact O-N 3.21Å; E71-I167 HydrophobicContact CG-CD1 4.4Å; E71-A192 VanDerWaalsContact OE1-CA 3.3Å; E71-A192 WeakPolarHBondContact OE1-CA 3.31Å; E71-F193 PolarHBondContact OE1-N 3.03Å; E71-F193 WeakPolarHBondContact OE2-CB 3.48Å; E71-F193 PolarHBondContact OE2-N 3.01Å; E71-F193 VanDerWaalsContact OE2-N 3.17Å; E71-Q194 HydrophobicContact CB-CB 4.36Å; E71-Q194 WeakPolarHBondContact OE2-CB 3.44Å; E71-Q194 PolarHBondContact OE2-N 2.96Å; E71-H208 IonicContact OE1-CD2 3.9Å; E71-H208 PolarHBondContact OE1-CD2 2.96Å; E71-H208 VanDerWaalsContact OE1-CD2 3.25Å; E71-H208 IonicContact OE1-NE2 3.32Å; E71-H208 PolarHBondContact OE1-NE2 3.36Å; E71-P210 WeakPolarHBondContact O-CD 3.47Å; E71-P210 WeakPolarHBondContact O-CG 3.35Å
72E87.7Confident92.2Very high104 Ų10436.1 Ų36.149%0.48617%0.168SC..THydrogen-bonded Turntrans-83.6-54-179.5-170.6-163.7146.500112.2S70 R156S70-E72 PolarHBondContact O-N 3.46Å; S70-E72 PolarHBondContact OG-N 3.35Å; E72-R156 IonicContact OE1-CZ 3.43Å; E72-R156 IonicContact OE1-NH1 2.85Å; E72-R156 IonicContact OE1-NH2 3.3Å; E72-R156 PolarHBondContact OE1-NH2 3.05Å; E72-R156 IonicContact OE2-CZ 2.59Å; E72-R156 IonicContact OE2-NH2 3.81Å; E72-R156 PolarHBondContact OE2-NH2 3.32Å
73N88.4Confident92Very high41 Ų4132.6 Ų32.622%0.21915%0.154CC..THydrogen-bonded Turntrans-114.8-2.1-170.867.128.1000113.5S70 H75 V238S70-N73 WeakPolarHBondContact CB-OD1 3.38Å; S70-N73 PolarHBondContact OG-OD1 2.82Å; N73-H75 PolarHBondContact O-N 2.82Å; N73-H75 VanDerWaalsContact O-N 3.07Å; N73-H75 WeakPolarHBondContact OD1-CB 3.5Å; N73-H75 PolarHBondContact OD1-N 3.33Å; N73-V238 VanDerWaalsContact C-CG1 3.5Å; N73-V238 WeakPolarHBondContact O-CG1 3.28Å
74G91.2Very high91.4Very high0 Ų032.3 Ų32.30%016%0.158CC..  trans67.52-179.800000115.7M69 S70 R214M69-G74 WeakPolarHBondContact CG-O 3.48Å; S70-G74 WeakPolarHBondContact O-CA 3.25Å; S70-G74 PolarHBondContact O-N 2.85Å; G74-R214 PolarHBondContact O-NH2 3.45Å
75H91.9Very high90Very high69 Ų6936.5 Ų36.532%0.31918%0.178SC..  trans-69.5152.5176.3-64.8165.9000111.1M69 S70 N73 Y77M69-H75 WeakPolarHBondContact CA-O 3.28Å; S70-H75 PolarHBondContact N-O 2.91Å; N73-H75 PolarHBondContact O-N 2.82Å; N73-H75 VanDerWaalsContact O-N 3.07Å; N73-H75 WeakPolarHBondContact OD1-CB 3.5Å; N73-H75 PolarHBondContact OD1-N 3.33Å; H75-Y77 HydrophobicContact CB-CE2 3.84Å
76Q93.7Very high88.2Confident43 Ų4341.2 Ų41.220%0.20121%0.207CC..EExtended strand (participates in β ladder)trans-92.1136.4178.5-60.8-65.7-24.600109.5D23 E24 K67 G68D23-Q76 CarbonylContact C-O 3.59Å; E24-Q76 HydrophobicContact CB-CB 4.14Å; E24-Q76 PolarHBondContact N-O 2.9Å; E24-Q76 WeakPolarHBondContact OE2-CB 3.4Å; K67-Q76 VanDerWaalsContact CE-CB 3.46Å; K67-Q76 VanDerWaalsContact CE-CG 3.47Å; K67-Q76 HydrophobicContact CG-CB 4.45Å; G68-Q76 WeakPolarHBondContact O-CA 3.39Å; G68-Q76 PolarHBondContact O-OE1 3.2Å
77Y94.9Very high86.4Confident46 Ų4643 Ų4318%0.1822%0.22CC..EExtended strand (participates in β ladder)trans-127.9154.4179-70.2-91.5000110.3I21 T22 D23 K67 G68 H75 T164I21-Y77 HydrophobicContact CD1-CD1 3.81Å; I21-Y77 HydrophobicContact CD1-CG 3.85Å; I21-Y77 HydrophobicContact CG1-CD1 3.8Å; I21-Y77 HydrophobicContact CG1-CG 4.14Å; T22-Y77 CarbonylContact O-C 3.52Å; T22-Y77 VanDerWaalsContact O-CA 3.3Å; T22-Y77 WeakPolarHBondContact O-CA 3.47Å; D23-Y77 HydrophobicContact CB-CD1 3.84Å; D23-Y77 HydrophobicContact CB-CE1 3.6Å; K67-Y77 CarbonylContact C-O 3.55Å; K67-Y77 VanDerWaalsContact CA-O 3.3Å; K67-Y77 WeakPolarHBondContact CA-O 3.49Å; G68-Y77 PolarHBondContact N-O 3.11Å; G68-Y77 PolarHBondContact O-N 2.86Å; H75-Y77 HydrophobicContact CB-CE2 3.84Å; Y77-T164 HydrophobicContact CD2-CG2 3.84Å; Y77-T164 HydrophobicContact CG-CG2 4.22Å
78Y95.2Very high85Confident4 Ų439.9 Ų39.92%0.01621%0.207CC..EExtended strand (participates in β ladder)trans-119136.3175.1-61.8-92.9000109.4I21 T22 E24 A27 L47 I51 I65 R66 K67I21-Y78 WeakPolarHBondContact CA-O 3.47Å; T22-Y78 PolarHBondContact N-O 3.49Å; T22-Y78 PolarHBondContact O-N 2.94Å; E24-Y78 HydrophobicContact CB-CE2 3.98Å; E24-Y78 HydrophobicContact CG-CE2 4.14Å; A27-Y78 HydrophobicContact CB-CD2 3.7Å; A27-Y78 HydrophobicContact CB-CE2 4.06Å; A27-Y78 HydrophobicContact CB-CG 4.43Å; L47-Y78 HydrophobicContact CD2-CE2 4.46Å; I51-Y78 HydrophobicContact CD1-CD1 3.67Å; I51-Y78 HydrophobicContact CD1-CE1 3.58Å; I65-Y78 HydrophobicContact CG2-CD1 4.39Å; R66-Y78 WeakPolarHBondContact O-CA 3.48Å; K67-Y78 HydrophobicContact CB-CD1 4.09Å; K67-Y78 HydrophobicContact CB-CE1 3.8Å; K67-Y78 HydrophobicContact CD-CE1 3.95Å; K67-Y78 WeakPolarHBondContact CE-OH 3.44Å; K67-Y78 HydrophobicContact CG-CD1 4.38Å; K67-Y78 HydrophobicContact CG-CE1 3.86Å; K67-Y78 PolarHBondContact NZ-OH 3.25Å; K67-Y78 VanDerWaalsContact NZ-OH 3.17Å
79A93.5Very high83.5Confident0 Ų042.1 Ų42.10%022%0.219CC..EExtended strand (participates in β ladder)trans-143.2153.5173.400000110.2I65 R66 I168 E169I65-A79 WeakPolarHBondContact CA-O 3.42Å; R66-A79 PolarHBondContact N-O 3.18Å; R66-A79 PolarHBondContact O-N 2.81Å; R66-A79 VanDerWaalsContact O-N 3.09Å; A79-I168 HydrophobicContact CB-CB 4.49Å; A79-I168 HydrophobicContact CB-CG2 3.9Å; A79-E169 HydrophobicContact CB-CG 4.33Å
80L92.3Very high82.2Confident14 Ų1444.6 Ų44.67%0.07323%0.228CC..EExtended strand (participates in β ladder)trans-84.5120.6171.6-178.668000109L13 L16 M17 L58 M63 I65L13-L80 HydrophobicContact CD1-CD1 3.94Å; L13-L80 HydrophobicContact CD1-CD2 3.96Å; L13-L80 HydrophobicContact CD1-CG 4.48Å; L16-L80 HydrophobicContact CD2-CB 4.39Å; M17-L80 HydrophobicContact CG-CD2 3.55Å; M17-L80 HydrophobicContact SD-CD2 4.07Å; L58-L80 HydrophobicContact CD1-CD1 3.7Å; M63-L80 HydrophobicContact CB-CD1 4.34Å; M63-L80 HydrophobicContact CE-CD1 4.16Å; M63-L80 HydrophobicContact CE-CD2 3.7Å; M63-L80 HydrophobicContact CE-CG 3.59Å; I65-L80 HydrophobicContact CG1-CD1 3.98Å
81V90.6Very high81.3Confident0 Ų044.4 Ų44.40%023%0.226CC..EExtended strand (participates in β ladder)trans-113.3138.3-173-176.40000109.9M63 Q64 R66 M83 I168 P172M63-V81 CarbonylContact C-O 3.45Å; M63-V81 WeakPolarHBondContact CA-O 3.27Å; Q64-V81 PolarHBondContact N-O 3.25Å; Q64-V81 PolarHBondContact O-N 2.89Å; R66-V81 HydrophobicContact CB-CG2 3.91Å; R66-V81 HydrophobicContact CG-CB 4.36Å; R66-V81 HydrophobicContact CG-CG2 4.08Å; V81-M83 HydrophobicContact CB-SD 4.35Å; V81-M83 HydrophobicContact CG1-SD 3.88Å; V81-I168 HydrophobicContact CG2-CG2 3.62Å; V81-I168 WeakPolarHBondContact CG2-O 3.46Å; V81-P172 HydrophobicContact CG1-CG 4.39Å
82N88.4Confident80.4Confident39 Ų3947.3 Ų47.321%0.20925%0.245CC..EExtended strand (participates in β ladder)trans-88.1121.5164.9-172.7-3.3000108.9F62 M63 A84 T89F62-N82 PolarHBondContact O-OD1 2.96Å; M63-N82 HydrophobicContact CE-CB 4.35Å; M63-N82 WeakPolarHBondContact SD-CA 3.41Å; M63-N82 HydrophobicContact SD-CB 3.58Å; M63-N82 VanDerWaalsContact SD-CB 3.58Å; N82-A84 VanDerWaalsContact OD1-CB 3.3Å; N82-A84 WeakPolarHBondContact OD1-CB 3.36Å; N82-A84 PolarHBondContact OD1-N 3.38Å; N82-T89 PolarHBondContact ND2-OG1 3.01Å; N82-T89 VanDerWaalsContact ND2-OG1 3.12Å
83M85.1Confident80Confident58 Ų5846.9 Ų46.929%0.28625%0.253SS..  trans-90.5-4.5-177.8-55.6-61.5-65.900112.3F62 Q64 V81 E85 P172F62-M83 HydrophobicContact CB-CB 4.48Å; F62-M83 WeakPolarHBondContact O-CA 3.43Å; F62-M83 VanDerWaalsContact O-CB 3.3Å; F62-M83 WeakPolarHBondContact O-CB 3.3Å; F62-M83 PolarHBondContact O-N 2.88Å; Q64-M83 HydrophobicContact CB-CG 4.14Å; Q64-M83 HydrophobicContact CB-SD 4.36Å; V81-M83 HydrophobicContact CB-SD 4.35Å; V81-M83 HydrophobicContact CG1-SD 3.88Å; M83-E85 PolarHBondContact O-N 3.34Å; M83-P172 HydrophobicContact CE-CG 4.37Å; M83-P172 HydrophobicContact SD-CG 4.25Å
84A79.6Confident79.9Confident36 Ų3649.2 Ų49.230%0.29827%0.266SS..  trans-64.2124.5171.200000109.6N82 T86N82-A84 VanDerWaalsContact OD1-CB 3.3Å; N82-A84 WeakPolarHBondContact OD1-CB 3.36Å; N82-A84 PolarHBondContact OD1-N 3.38Å; A84-T86 PolarHBondContact O-N 3.43Å; A84-T86 VanDerWaalsContact O-N 3.09Å
85E62.1Low79.9Confident131 Ų13149.9 Ų49.961%0.61227%0.268SS*.THydrogen-bonded Turntrans-72.4-1.8-169.8-63.2179.6173.900114.2M83M83-E85 PolarHBondContact O-N 3.34Å
86T58Low80Confident103 Ų10348.9 Ų48.963%0.63227%0.272SS*.THydrogen-bonded Turntrans-98.8-18-158.857.80000116.1A84A84-T86 PolarHBondContact O-N 3.43Å; A84-T86 VanDerWaalsContact O-N 3.09Å
87D56Low79.9Confident92 Ų9252.8 Ų52.849%0.49230%0.295SS..  trans-153.7151-166.9-76.5-60.9000114.9T89D87-T89 HydrophobicContact CB-CG2 3.34Å; D87-T89 PolarHBondContact O-N 2.85Å
88I62.3Low79.8Confident13 Ų1352 Ų527%0.06729%0.294CS..  trans-7048.7159.7-40.2-178.1000109.3R90 M91 T92 F103 R104 M170I88-R90 VanDerWaalsContact C-N 3.26Å; I88-R90 PolarHBondContact O-N 3.17Å; I88-M91 HydrophobicContact CB-CB 4.44Å; I88-M91 HydrophobicContact CG2-CB 3.47Å; I88-M91 VanDerWaalsContact CG2-CB 3.47Å; I88-M91 HydrophobicContact CG2-CG 3.51Å; I88-M91 HydrophobicContact CG2-SD 3.41Å; I88-M91 WeakPolarHBondContact CG2-SD 3.16Å; I88-M91 PolarHBondContact O-N 2.76Å; I88-T92 PolarHBondContact O-N 2.69Å; I88-T92 PolarHBondContact O-OG1 2.74Å; I88-F103 HydrophobicContact CD1-CD1 4.12Å; I88-F103 HydrophobicContact CD1-CE1 4.45Å; I88-R104 HydrophobicContact CD1-CG 3.73Å; I88-M170 HydrophobicContact CB-CE 4.31Å; I88-M170 HydrophobicContact CD1-CE 4.13Å; I88-M170 HydrophobicContact CG1-CE 3.79Å; I88-M170 HydrophobicContact CG2-CE 3.81Å; I88-M170 HydrophobicContact CG2-SD 4.12Å
89T62.3Low79.8Confident53 Ų5353.5 Ų53.533%0.32530%0.301SS..Hα-helixtrans-50.3-40.6-162.644.30000114N82 D87N82-T89 PolarHBondContact ND2-OG1 3.01Å; N82-T89 VanDerWaalsContact ND2-OG1 3.12Å; D87-T89 HydrophobicContact CB-CG2 3.34Å; D87-T89 PolarHBondContact O-N 2.85Å
90R65.2Low79.8Confident74 Ų7453.8 Ų53.828%0.27930%0.302SS..Hα-helixtrans-76-33.1178.9-73.2-174.170-174.49.2113.6I88 T92 S93 W152 E169I88-R90 VanDerWaalsContact C-N 3.26Å; I88-R90 PolarHBondContact O-N 3.17Å; R90-T92 VanDerWaalsContact C-N 3.33Å; R90-S93 PolarHBondContact O-OG 3.44Å; R90-W152 HydrophobicContact CB-CH2 4.41Å; R90-W152 HydrophobicContact CB-CZ2 4.5Å; R90-E169 VanDerWaalsContact CD-OE2 3.25Å; R90-E169 WeakPolarHBondContact CD-OE2 3.3Å; R90-E169 IonicContact CZ-OE1 2.89Å; R90-E169 IonicContact CZ-OE2 2.85Å; R90-E169 IonicContact NE-OE2 3.55Å; R90-E169 IonicContact NH1-OE1 3.63Å; R90-E169 PolarHBondContact NH1-OE1 2.96Å; R90-E169 IonicContact NH1-OE2 3.25Å; R90-E169 PolarHBondContact NH1-OE2 3.16Å
91M75.8Confident79.9Confident1 Ų153.9 Ų53.91%0.00530%0.302CS..Hα-helixtrans-76.3-28.3176-58.8-177.970.800110.8I88 S93 D94 Y95 L100 F103 L147 W152 M170I88-M91 HydrophobicContact CB-CB 4.44Å; I88-M91 HydrophobicContact CG2-CB 3.47Å; I88-M91 VanDerWaalsContact CG2-CB 3.47Å; I88-M91 HydrophobicContact CG2-CG 3.51Å; I88-M91 HydrophobicContact CG2-SD 3.41Å; I88-M91 WeakPolarHBondContact CG2-SD 3.16Å; I88-M91 PolarHBondContact O-N 2.76Å; M91-S93 PolarHBondContact O-N 3.07Å; M91-S93 VanDerWaalsContact O-N 3.16Å; M91-D94 PolarHBondContact O-N 2.81Å; M91-Y95 HydrophobicContact CB-CD2 3.68Å; M91-Y95 HydrophobicContact CB-CE2 4.12Å; M91-Y95 HydrophobicContact CE-CD2 3.91Å; M91-Y95 HydrophobicContact CE-CE2 3.7Å; M91-Y95 HydrophobicContact CG-CD2 4.22Å; M91-Y95 HydrophobicContact CG-CE2 4.16Å; M91-Y95 WeakPolarHBondContact O-CD2 3.42Å; M91-Y95 PolarHBondContact O-N 2.87Å; M91-L100 HydrophobicContact CB-CD2 3.46Å; M91-L100 VanDerWaalsContact CB-CD2 3.46Å; M91-F103 HydrophobicContact CE-CB 4.31Å; M91-F103 HydrophobicContact CE-CD1 3.95Å; M91-F103 HydrophobicContact CE-CD2 3.81Å; M91-F103 HydrophobicContact CE-CE1 4.22Å; M91-F103 HydrophobicContact CE-CE2 4.08Å; M91-F103 HydrophobicContact CE-CG 3.73Å; M91-F103 HydrophobicContact CE-CZ 4.27Å; M91-F103 HydrophobicContact SD-CD1 3.84Å; M91-F103 HydrophobicContact SD-CD2 4.45Å; M91-F103 HydrophobicContact SD-CE1 3.65Å; M91-F103 HydrophobicContact SD-CE2 4.28Å; M91-F103 HydrophobicContact SD-CG 4.24Å; M91-F103 HydrophobicContact SD-CZ 3.88Å; M91-L147 HydrophobicContact CE-CD2 3.42Å; M91-L147 VanDerWaalsContact CE-CD2 3.42Å; M91-W152 HydrophobicContact CE-CB 4.49Å; M91-W152 HydrophobicContact CE-CD2 4.11Å; M91-W152 HydrophobicContact CE-CG 3.92Å; M91-W152 HydrophobicContact CG-CD2 4.01Å; M91-W152 HydrophobicContact CG-CE3 4.35Å; M91-W152 HydrophobicContact CG-CH2 3.85Å; M91-W152 HydrophobicContact CG-CZ2 3.42Å; M91-W152 VanDerWaalsContact CG-CZ2 3.42Å; M91-W152 HydrophobicContact CG-CZ3 4.29Å; M91-W152 HydrophobicContact SD-CD2 3.7Å; M91-W152 HydrophobicContact SD-CE3 3.89Å; M91-W152 HydrophobicContact SD-CG 4.14Å; M91-W152 HydrophobicContact SD-CH2 4.39Å; M91-W152 HydrophobicContact SD-CZ2 4.21Å; M91-W152 HydrophobicContact SD-CZ3 4.24Å; M91-M170 HydrophobicContact SD-SD 4.46Å
92T74.7Confident80.1Confident73 Ų7353.9 Ų53.945%0.44830%0.302SS..Hα-helixtrans-59.5-26.9178.6-48.90000113.3I88 R90 L100I88-T92 PolarHBondContact O-N 2.69Å; I88-T92 PolarHBondContact O-OG1 2.74Å; R90-T92 VanDerWaalsContact C-N 3.33Å; T92-L100 HydrophobicContact CG2-CD1 4.41Å
93S79.6Confident80.5Confident94 Ų9452.1 Ų52.166%0.65729%0.293SS*.THydrogen-bonded Turntrans-79.5-25.2173.458.50000114R90 M91R90-S93 PolarHBondContact O-OG 3.44Å; M91-S93 PolarHBondContact O-N 3.07Å; M91-S93 VanDerWaalsContact O-N 3.16Å
94D86.1Confident80.9Confident91 Ų9153.4 Ų53.449%0.48729%0.294SS..THydrogen-bonded Turntrans-108.7-15.4-164.3-61.9-6.3000113M91M91-D94 PolarHBondContact O-N 2.81Å
95Y91.3Very high81.7Confident13 Ų1354.3 Ų54.35%0.05129%0.292CS..SBendtrans-133.1147.4-175-60.9-86000111.9M91 E99 L143 L147 D150 W152M91-Y95 HydrophobicContact CB-CD2 3.68Å; M91-Y95 HydrophobicContact CB-CE2 4.12Å; M91-Y95 HydrophobicContact CE-CD2 3.91Å; M91-Y95 HydrophobicContact CE-CE2 3.7Å; M91-Y95 HydrophobicContact CG-CD2 4.22Å; M91-Y95 HydrophobicContact CG-CE2 4.16Å; M91-Y95 WeakPolarHBondContact O-CD2 3.42Å; M91-Y95 PolarHBondContact O-N 2.87Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.43Å; Y95-E99 HydrophobicContact CD1-CB 4.34Å; Y95-L143 HydrophobicContact CD1-CD1 3.81Å; Y95-L143 HydrophobicContact CE1-CD1 3.85Å; Y95-L147 HydrophobicContact CE1-CD2 3.9Å; Y95-L147 HydrophobicContact CE1-CG 4.47Å; Y95-L147 HydrophobicContact CE2-CD2 4.45Å; Y95-D150 WeakPolarHBondContact OH-CB 3.41Å; Y95-D150 PolarHBondContact OH-OD2 3.23Å; Y95-W152 AromaticContact CE2-NE1 3.71Å; Y95-W152 AromaticContact CZ-CD1 3.99Å; Y95-W152 PolarHBondContact OH-NE1 3.03Å
96A93.2Very high83.3Confident49 Ų4948.1 Ų48.141%0.40526%0.263SS..  trans-74.6160.5174.800000112.2N98 E99 L100A96-N98 WeakPolarHBondContact CB-OD1 3.46Å; A96-N98 PolarHBondContact O-N 2.89Å; A96-N98 VanDerWaalsContact O-N 3.13Å; A96-E99 HydrophobicContact CB-CG 4.17Å; A96-E99 PolarHBondContact N-OE2 3.16Å; A96-E99 WeakPolarHBondContact O-CA 3.38Å; A96-E99 WeakPolarHBondContact O-CB 3.42Å; A96-E99 PolarHBondContact O-N 2.92Å; A96-L100 WeakPolarHBondContact O-CG 3.16Å; A96-L100 PolarHBondContact O-N 3.2Å
97D91.3Very high85.1Confident125 Ų12543.3 Ų43.367%0.66823%0.233SC*.Hα-helixtrans-54.6-37.8-175.7-67.6-28.9000114E101D97-E101 WeakPolarHBondContact O-CB 3.23Å; D97-E101 PolarHBondContact O-N 2.8Å
98N93.7Very high87Confident29 Ų2941.7 Ų41.716%0.15522%0.224CC..Hα-helixtrans-73.8-33.4177.764.1-28.1000112.9A96 E101 L102 M130 S132 K133 L135A96-N98 WeakPolarHBondContact CB-OD1 3.46Å; A96-N98 PolarHBondContact O-N 2.89Å; A96-N98 VanDerWaalsContact O-N 3.13Å; N98-E101 PolarHBondContact O-N 2.82Å; N98-L102 PolarHBondContact O-N 2.92Å; N98-M130 HydrophobicContact CB-CE 4.02Å; N98-M130 WeakPolarHBondContact O-CE 3.44Å; N98-S132 WeakPolarHBondContact CA-OG 3.43Å; N98-S132 WeakPolarHBondContact CB-OG 3.42Å; N98-K133 WeakPolarHBondContact CB-O 3.38Å; N98-K133 PolarHBondContact ND2-O 2.9Å; N98-L135 VanDerWaalsContact ND2-CD2 3.31Å; N98-L135 WeakPolarHBondContact ND2-CD2 3.39Å
99E95Very high88.7Confident36 Ų3643.8 Ų43.817%0.16824%0.235CC..Hα-helixtrans-66.8-41.6172.7-56.5-175.9127.600110.6Y95 A96 L102 F103 L143 R146Y95-E99 WeakPolarHBondContact CA-OE2 3.43Å; Y95-E99 HydrophobicContact CD1-CB 4.34Å; A96-E99 HydrophobicContact CB-CG 4.17Å; A96-E99 PolarHBondContact N-OE2 3.16Å; A96-E99 WeakPolarHBondContact O-CA 3.38Å; A96-E99 WeakPolarHBondContact O-CB 3.42Å; A96-E99 PolarHBondContact O-N 2.92Å; E99-L102 PolarHBondContact O-N 3.38Å; E99-F103 PolarHBondContact O-N 3.18Å; E99-L143 HydrophobicContact CB-CD1 4.01Å; E99-L143 HydrophobicContact CB-CD2 3.54Å; E99-L143 HydrophobicContact CB-CG 4.45Å; E99-L143 HydrophobicContact CG-CD1 4.23Å; E99-L143 HydrophobicContact CG-CD2 3.81Å; E99-R146 IonicContact OE1-NH1 3.68Å
100L93.3Very high90.3Very high5 Ų541.3 Ų41.33%0.02622%0.22CC..Hα-helixtrans-65.7-37.8175-65.4171.5000112.3M91 T92 A96 F103 R104M91-L100 HydrophobicContact CB-CD2 3.46Å; M91-L100 VanDerWaalsContact CB-CD2 3.46Å; T92-L100 HydrophobicContact CG2-CD1 4.41Å; A96-L100 WeakPolarHBondContact O-CG 3.16Å; A96-L100 PolarHBondContact O-N 3.2Å; L100-F103 PolarHBondContact O-N 3.26Å; L100-R104 WeakPolarHBondContact O-CG 3.21Å; L100-R104 PolarHBondContact O-N 2.73Å
101E94.2Very high91.8Very high16 Ų1638.1 Ų38.18%0.07521%0.209CC..Hα-helixtrans-64.3-43.8174.6-174.7177.8-17000111.5D97 N98 F103 R104 K105 M130 T131 S132D97-E101 WeakPolarHBondContact O-CB 3.23Å; D97-E101 PolarHBondContact O-N 2.8Å; N98-E101 PolarHBondContact O-N 2.82Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 3.42Å; E101-R104 VanDerWaalsContact CA-NH2 3.27Å; E101-R104 PolarHBondContact O-N 2.89Å; E101-K105 WeakPolarHBondContact O-CG 3.3Å; E101-K105 PolarHBondContact O-N 3.12Å; E101-M130 HydrophobicContact CB-CE 4.18Å; E101-M130 HydrophobicContact CG-CE 4.43Å; E101-M130 HydrophobicContact CG-CG 4.32Å; E101-M130 WeakPolarHBondContact OE1-CA 3.32Å; E101-T131 PolarHBondContact OE1-N 3.37Å; E101-T131 PolarHBondContact OE1-OG1 3.48Å; E101-T131 PolarHBondContact OE2-N 2.94Å; E101-T131 PolarHBondContact OE2-OG1 2.81Å; E101-S132 WeakPolarHBondContact OE2-CB 3.48Å; E101-S132 PolarHBondContact OE2-N 2.95Å; E101-S132 PolarHBondContact OE2-OG 2.93Å
102L95.6Very high92.7Very high1 Ų142 Ų421%0.00524%0.236CC..Hα-helixtrans-62.9-38.5175.1-179.462.1000111.9N98 E99 K105 T106 I123 T127 M130 L135 T140 L143N98-L102 PolarHBondContact O-N 2.92Å; E99-L102 PolarHBondContact O-N 3.38Å; L102-K105 PolarHBondContact O-N 3.12Å; L102-T106 WeakPolarHBondContact O-CB 3.48Å; L102-T106 PolarHBondContact O-N 2.93Å; L102-T106 PolarHBondContact O-OG1 2.85Å; L102-I123 HydrophobicContact CD1-CG2 3.96Å; L102-T127 HydrophobicContact CD1-CG2 3.91Å; L102-M130 HydrophobicContact CB-CE 4.25Å; L102-M130 HydrophobicContact CB-SD 4.27Å; L102-M130 HydrophobicContact CD1-SD 4.39Å; L102-L135 HydrophobicContact CB-CD1 4.15Å; L102-L135 HydrophobicContact CD2-CD1 3.59Å; L102-L135 HydrophobicContact CG-CD1 4.49Å; L102-T140 HydrophobicContact CD2-CG2 3.58Å; L102-L143 HydrophobicContact CB-CD2 4.41Å; L102-L143 HydrophobicContact CD2-CD2 3.74Å
103F95.7Very high93.6Very high2 Ų239.7 Ų39.71%0.00922%0.223CC..Hα-helixtrans-61.7-44.6173.9177.9-99.6000111.7I88 M91 E99 L100 E101 K105 T106 L107 L147 W152 L153 M170I88-F103 HydrophobicContact CD1-CD1 4.12Å; I88-F103 HydrophobicContact CD1-CE1 4.45Å; M91-F103 HydrophobicContact CE-CB 4.31Å; M91-F103 HydrophobicContact CE-CD1 3.95Å; M91-F103 HydrophobicContact CE-CD2 3.81Å; M91-F103 HydrophobicContact CE-CE1 4.22Å; M91-F103 HydrophobicContact CE-CE2 4.08Å; M91-F103 HydrophobicContact CE-CG 3.73Å; M91-F103 HydrophobicContact CE-CZ 4.27Å; M91-F103 HydrophobicContact SD-CD1 3.84Å; M91-F103 HydrophobicContact SD-CD2 4.45Å; M91-F103 HydrophobicContact SD-CE1 3.65Å; M91-F103 HydrophobicContact SD-CE2 4.28Å; M91-F103 HydrophobicContact SD-CG 4.24Å; M91-F103 HydrophobicContact SD-CZ 3.88Å; E99-F103 PolarHBondContact O-N 3.18Å; L100-F103 PolarHBondContact O-N 3.26Å; E101-F103 VanDerWaalsContact C-N 3.3Å; E101-F103 PolarHBondContact O-N 3.42Å; F103-K105 PolarHBondContact O-N 3.16Å; F103-T106 WeakPolarHBondContact O-CB 3.49Å; F103-T106 PolarHBondContact O-N 2.94Å; F103-L107 HydrophobicContact CE1-CD1 4.23Å; F103-L107 HydrophobicContact CZ-CD1 4.31Å; F103-L107 PolarHBondContact O-N 2.86Å; F103-L147 HydrophobicContact CD2-CD1 4.08Å; F103-L147 HydrophobicContact CD2-CD2 3.95Å; F103-W152 HydrophobicContact CE2-CB 4.14Å; F103-L153 HydrophobicContact CE2-CD2 4.14Å; F103-L153 HydrophobicContact CE2-CG 4.41Å; F103-M170 HydrophobicContact CE1-CE 3.92Å; F103-M170 HydrophobicContact CE1-SD 3.6Å; F103-M170 HydrophobicContact CZ-SD 3.83Å
104R94.4Very high94.2Very high84 Ų8443.1 Ų43.132%0.31723%0.229SC..Hα-helixtrans-59.4-45.3174.1-73.5-176.9-67.4-89.31.6112.1I88 L100 E101 T106 L107 D108I88-R104 HydrophobicContact CD1-CG 3.73Å; L100-R104 WeakPolarHBondContact O-CG 3.21Å; L100-R104 PolarHBondContact O-N 2.73Å; E101-R104 VanDerWaalsContact CA-NH2 3.27Å; E101-R104 PolarHBondContact O-N 2.89Å; R104-T106 VanDerWaalsContact C-N 3.29Å; R104-T106 PolarHBondContact O-N 3.44Å; R104-L107 CarbonylContact O-C 3.58Å; R104-L107 WeakPolarHBondContact O-CA 3.34Å; R104-L107 WeakPolarHBondContact O-CB 3.47Å; R104-L107 PolarHBondContact O-N 3.45Å; R104-L107 VanDerWaalsContact O-N 3.1Å; R104-D108 VanDerWaalsContact O-CG 3.26Å; R104-D108 PolarHBondContact O-N 2.92Å
105K95.4Very high94.4Very high56 Ų5643.1 Ų43.124%0.24323%0.229CC..Hα-helixtrans-60.2-39.7175-68.5-69.1-175.9175.50112.3E101 L102 F103 L107 D108 L109 T129E101-K105 WeakPolarHBondContact O-CG 3.3Å; E101-K105 PolarHBondContact O-N 3.12Å; L102-K105 PolarHBondContact O-N 3.12Å; F103-K105 PolarHBondContact O-N 3.16Å; K105-L107 VanDerWaalsContact C-N 3.32Å; K105-D108 WeakPolarHBondContact O-CB 3.21Å; K105-D108 PolarHBondContact O-N 3.11Å; K105-L109 WeakPolarHBondContact O-CG 3.44Å; K105-L109 PolarHBondContact O-N 2.89Å; K105-L109 VanDerWaalsContact O-N 3.11Å; K105-T129 PolarHBondContact NZ-OG1 2.77Å
106T96.8Very high94.6Very high1 Ų142.5 Ų42.51%0.00623%0.226CC..Hα-helixtrans-63.8-40.9175-56.50000111L102 F103 R104 L109 I110 I123 L153L102-T106 WeakPolarHBondContact O-CB 3.48Å; L102-T106 PolarHBondContact O-N 2.93Å; L102-T106 PolarHBondContact O-OG1 2.85Å; F103-T106 WeakPolarHBondContact O-CB 3.49Å; F103-T106 PolarHBondContact O-N 2.94Å; R104-T106 VanDerWaalsContact C-N 3.29Å; R104-T106 PolarHBondContact O-N 3.44Å; T106-L109 PolarHBondContact O-N 3.28Å; T106-I110 HydrophobicContact CG2-CD1 3.9Å; T106-I110 WeakPolarHBondContact O-CG1 3.17Å; T106-I110 PolarHBondContact O-N 3Å; T106-I123 HydrophobicContact CG2-CD1 3.68Å; T106-I123 HydrophobicContact CG2-CG1 4Å; T106-I123 WeakPolarHBondContact OG1-CG2 3.42Å; T106-L153 HydrophobicContact CG2-CD1 4.13Å; T106-L153 HydrophobicContact CG2-CD2 4.45Å
107L95.6Very high94.8Very high2 Ų241.1 Ų41.11%0.0121%0.213CC..Hα-helixtrans-66.1-39.3176.3-165.8138.3000111.8F103 R104 K105 L109 I110 V111 L162 I174 Y178F103-L107 HydrophobicContact CE1-CD1 4.23Å; F103-L107 HydrophobicContact CZ-CD1 4.31Å; F103-L107 PolarHBondContact O-N 2.86Å; R104-L107 CarbonylContact O-C 3.58Å; R104-L107 WeakPolarHBondContact O-CA 3.34Å; R104-L107 WeakPolarHBondContact O-CB 3.47Å; R104-L107 PolarHBondContact O-N 3.45Å; R104-L107 VanDerWaalsContact O-N 3.1Å; K105-L107 VanDerWaalsContact C-N 3.32Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.5Å; L107-I110 PolarHBondContact O-N 3.17Å; L107-V111 HydrophobicContact CD2-CG2 3.85Å; L107-V111 HydrophobicContact CG-CG2 4.33Å; L107-V111 WeakPolarHBondContact O-CB 3.42Å; L107-V111 VanDerWaalsContact O-CG2 3.25Å; L107-V111 WeakPolarHBondContact O-CG2 3.24Å; L107-V111 PolarHBondContact O-N 3.08Å; L107-L162 HydrophobicContact CD1-CD1 3.99Å; L107-L162 HydrophobicContact CD1-CD2 4.15Å; L107-L162 HydrophobicContact CG-CD1 4.49Å; L107-I174 HydrophobicContact CD1-CD1 4.13Å; L107-I174 HydrophobicContact CD1-CG1 4.16Å; L107-I174 HydrophobicContact CD2-CG1 4.43Å; L107-Y178 HydrophobicContact CD2-CD2 3.84Å; L107-Y178 HydrophobicContact CD2-CE1 4.09Å; L107-Y178 HydrophobicContact CD2-CE2 3.07Å; L107-Y178 VanDerWaalsContact CD2-OH 3.27Å; L107-Y178 WeakPolarHBondContact CD2-OH 3.2Å
108D95.6Very high95.1Very high57 Ų5735.4 Ų35.431%0.30518%0.183SC..Hα-helixtrans-56.8-46.4172.6-61.7-26000111.3R104 K105 S112 Y178R104-D108 VanDerWaalsContact O-CG 3.26Å; R104-D108 PolarHBondContact O-N 2.92Å; K105-D108 WeakPolarHBondContact O-CB 3.21Å; K105-D108 PolarHBondContact O-N 3.11Å; D108-S112 VanDerWaalsContact O-CB 3.27Å; D108-S112 WeakPolarHBondContact O-CB 3.3Å; D108-S112 PolarHBondContact O-N 2.95Å; D108-S112 PolarHBondContact O-OG 3.42Å; D108-Y178 WeakPolarHBondContact OD1-CE1 3.46Å; D108-Y178 VanDerWaalsContact OD1-CZ 3.26Å; D108-Y178 PolarHBondContact OD1-OH 3.42Å
109L97.1Very high95.3Very high57 Ų5734.7 Ų34.730%0.29818%0.18SC..Hα-helixtrans-62.5-45177.8-68.3170.9000111.7K105 T106 L107 S112 S113 A118 D122 I123K105-L109 WeakPolarHBondContact O-CG 3.44Å; K105-L109 PolarHBondContact O-N 2.89Å; K105-L109 VanDerWaalsContact O-N 3.11Å; T106-L109 PolarHBondContact O-N 3.28Å; L107-L109 VanDerWaalsContact C-N 3.33Å; L107-L109 PolarHBondContact O-N 3.5Å; L109-S112 PolarHBondContact O-N 2.87Å; L109-S113 WeakPolarHBondContact O-CB 3.16Å; L109-S113 PolarHBondContact O-N 3.43Å; L109-S113 VanDerWaalsContact O-N 3.16Å; L109-A118 HydrophobicContact CB-CB 3.65Å; L109-A118 HydrophobicContact CD1-CB 4.35Å; L109-D122 HydrophobicContact CD1-CB 4.08Å; L109-I123 HydrophobicContact CD1-CG1 3.92Å
110I97.2Very high95.4Very high1 Ų134.8 Ų34.81%0.00519%0.185CC..Hα-helixtrans-67.4-42.3-179.5-71.1166.1000111.8T106 L107 S112 S113 G116 A118 L153 L162 F193T106-I110 HydrophobicContact CG2-CD1 3.9Å; T106-I110 WeakPolarHBondContact O-CG1 3.17Å; T106-I110 PolarHBondContact O-N 3Å; L107-I110 PolarHBondContact O-N 3.17Å; I110-S112 VanDerWaalsContact C-N 3.34Å; I110-S113 PolarHBondContact O-N 3.09Å; I110-S113 PolarHBondContact O-OG 3.25Å; I110-S113 VanDerWaalsContact O-OG 3.07Å; I110-G116 WeakPolarHBondContact CG2-O 3.48Å; I110-A118 HydrophobicContact CG1-CB 3.8Å; I110-L153 HydrophobicContact CD1-CD2 4.16Å; I110-L162 HydrophobicContact CD1-CD2 3.85Å; I110-L162 HydrophobicContact CD1-CG 4.35Å; I110-L162 HydrophobicContact CG2-CG 4.18Å; I110-F193 HydrophobicContact CG2-CD1 3.63Å; I110-F193 HydrophobicContact CG2-CE1 3.94Å; I110-F193 HydrophobicContact CG2-CG 4.49Å
111V95.6Very high95.5Very high8 Ų838.3 Ų38.35%0.04821%0.206CC..Hα-helixtrans-66.2-40178.71700000110.8L107 S113 Y178 Q181 V182 F193L107-V111 HydrophobicContact CD2-CG2 3.85Å; L107-V111 HydrophobicContact CG-CG2 4.33Å; L107-V111 WeakPolarHBondContact O-CB 3.42Å; L107-V111 VanDerWaalsContact O-CG2 3.25Å; L107-V111 WeakPolarHBondContact O-CG2 3.24Å; L107-V111 PolarHBondContact O-N 3.08Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 2.86Å; V111-Y178 HydrophobicContact CB-CD1 4.16Å; V111-Y178 HydrophobicContact CG1-CD1 3.79Å; V111-Y178 HydrophobicContact CG1-CG 4.04Å; V111-Y178 HydrophobicContact CG2-CD1 4.13Å; V111-Y178 HydrophobicContact CG2-CD2 4.46Å; V111-Y178 HydrophobicContact CG2-CE1 4.46Å; V111-Y178 HydrophobicContact CG2-CG 4.14Å; V111-Q181 HydrophobicContact CG1-CB 3.61Å; V111-V182 HydrophobicContact CG1-CG1 4.38Å; V111-F193 HydrophobicContact CG2-CE1 3.72Å; V111-F193 HydrophobicContact CG2-CZ 4.34Å
112S94.2Very high95.6Very high81 Ų8141.4 Ų41.457%0.56622%0.224SC*.Hα-helixtrans-75.6-15.8-177.7-54.20000113.3D108 L109 I110 Q181D108-S112 VanDerWaalsContact O-CB 3.27Å; D108-S112 WeakPolarHBondContact O-CB 3.3Å; D108-S112 PolarHBondContact O-N 2.95Å; D108-S112 PolarHBondContact O-OG 3.42Å; L109-S112 PolarHBondContact O-N 2.87Å; I110-S112 VanDerWaalsContact C-N 3.34Å; S112-Q181 PolarHBondContact OG-OE1 3.14Å
113S95.4Very high95.7Very high25 Ų2541.4 Ų41.418%0.17522%0.224CC..SBendtrans-82.4151.8-176.273.50000113.2L109 I110 V111 N115 G116 T117 K183L109-S113 WeakPolarHBondContact O-CB 3.16Å; L109-S113 PolarHBondContact O-N 3.43Å; L109-S113 VanDerWaalsContact O-N 3.16Å; I110-S113 PolarHBondContact O-N 3.09Å; I110-S113 PolarHBondContact O-OG 3.25Å; I110-S113 VanDerWaalsContact O-OG 3.07Å; V111-S113 VanDerWaalsContact C-N 3.28Å; V111-S113 PolarHBondContact O-N 2.86Å; S113-N115 PolarHBondContact OG-OD1 3.13Å; S113-G116 VanDerWaalsContact OG-CA 3.31Å; S113-G116 WeakPolarHBondContact OG-CA 3.43Å; S113-G116 PolarHBondContact OG-N 2.82Å; S113-G116 VanDerWaalsContact OG-N 3.11Å; S113-T117 WeakPolarHBondContact CB-O 3.38Å; S113-T117 PolarHBondContact OG-N 3.38Å; S113-T117 PolarHBondContact OG-O 2.9Å; S113-K183 PolarHBondContact O-NZ 3.32Å
114E91.1Very high95.6Very high167 Ų16742.2 Ų42.278%0.7823%0.228SC*.SBendtrans-68.2-37.9-178.6-172.4174.7-173.900112.1K183E114-K183 VanDerWaalsContact C-NZ 3.35Å; E114-K183 PolarHBondContact O-NZ 3.17Å
115N91.4Very high95.7Very high91 Ų9142.6 Ų42.649%0.48724%0.236SC..SBendtrans-98.90.1-176.266.6-9.6000114S113 T117S113-N115 PolarHBondContact OG-OD1 3.13Å; N115-T117 VanDerWaalsContact C-N 3.33Å; N115-T117 PolarHBondContact ND2-OG1 3.43Å; N115-T117 PolarHBondContact OD1-N 3.22Å; N115-T117 VanDerWaalsContact OD1-N 3.07Å; N115-T117 PolarHBondContact OD1-OG1 3.41Å
116G95.2Very high95.6Very high0 Ų040.6 Ų40.60%023%0.229CC..SBendtrans7028.5-178.200000113.5I110 S113 T161I110-G116 WeakPolarHBondContact CG2-O 3.48Å; S113-G116 VanDerWaalsContact OG-CA 3.31Å; S113-G116 WeakPolarHBondContact OG-CA 3.43Å; S113-G116 PolarHBondContact OG-N 2.82Å; S113-G116 VanDerWaalsContact OG-N 3.11Å; G116-T161 WeakPolarHBondContact O-CB 3.26Å; G116-T161 PolarHBondContact O-OG1 3.45Å
117T97Very high95.3Very high20 Ų2040.9 Ų40.912%0.12323%0.231CC..  trans-122.9162.717276.10000112.4S113 N115 E159 Y160S113-T117 WeakPolarHBondContact CB-O 3.38Å; S113-T117 PolarHBondContact OG-N 3.38Å; S113-T117 PolarHBondContact OG-O 2.9Å; N115-T117 VanDerWaalsContact C-N 3.33Å; N115-T117 PolarHBondContact ND2-OG1 3.43Å; N115-T117 PolarHBondContact OD1-N 3.22Å; N115-T117 VanDerWaalsContact OD1-N 3.07Å; N115-T117 PolarHBondContact OD1-OG1 3.41Å; T117-E159 WeakPolarHBondContact CB-OE2 3.5Å; T117-E159 PolarHBondContact OG1-OE2 3.14Å; T117-Y160 CarbonylContact C-O 3.58Å; T117-Y160 WeakPolarHBondContact CA-O 3.42Å; T117-Y160 WeakPolarHBondContact CB-O 3.48Å
118A97.9Very high95Very high4 Ų445.9 Ų45.93%0.03326%0.258CS..EExtended strand (participates in β ladder)trans-135.5134.517000000109.8L109 I110 I123 Y160L109-A118 HydrophobicContact CB-CB 3.65Å; L109-A118 HydrophobicContact CD1-CB 4.35Å; I110-A118 HydrophobicContact CG1-CB 3.8Å; A118-I123 HydrophobicContact CB-CD1 4.13Å; A118-I123 HydrophobicContact CB-CG1 4.08Å; A118-Y160 PolarHBondContact N-O 3.07Å; A118-Y160 PolarHBondContact O-N 2.95Å
119S97.7Very high94.8Very high14 Ų1447.2 Ų47.210%0.09827%0.268CS..EExtended strand (participates in β ladder)trans-72.9150.2179.378.30000111.3T121 D122 I123 E159S119-T121 PolarHBondContact O-N 3.42Å; S119-T121 PolarHBondContact OG-OG1 2.84Å; S119-D122 PolarHBondContact O-N 2.92Å; S119-D122 VanDerWaalsContact O-N 3.12Å; S119-D122 WeakPolarHBondContact OG-CB 3.3Å; S119-D122 PolarHBondContact OG-N 3.12Å; S119-D122 PolarHBondContact OG-OD2 3.4Å; S119-I123 WeakPolarHBondContact O-CG1 3.49Å; S119-I123 PolarHBondContact O-N 2.81Å; S119-E159 WeakPolarHBondContact CA-OE1 3.46Å; S119-E159 WeakPolarHBondContact CB-OE1 3.45Å; S119-E159 PolarHBondContact N-OE2 2.7Å
120S96.4Very high94.4Very high38 Ų3845.5 Ų45.527%0.26626%0.259SS..Hα-helixtrans-54-37.4174.163.50000112L124 G158S120-L124 WeakPolarHBondContact O-CB 3.34Å; S120-L124 WeakPolarHBondContact O-CD1 3.35Å; S120-L124 VanDerWaalsContact O-CG 3.23Å; S120-L124 WeakPolarHBondContact O-CG 3.04Å; S120-L124 PolarHBondContact O-N 2.71Å; S120-G158 WeakPolarHBondContact CB-O 3.05Å; S120-G158 PolarHBondContact N-O 3.28Å
121T95.8Very high94.1Very high79 Ų7951.8 Ų51.849%0.48530%0.297SS..Hα-helixtrans-66.6-42.7178.140.60000112.6S119 L124 N125S119-T121 PolarHBondContact O-N 3.42Å; S119-T121 PolarHBondContact OG-OG1 2.84Å; T121-L124 PolarHBondContact O-N 3.33Å; T121-N125 WeakPolarHBondContact O-CB 3.49Å; T121-N125 PolarHBondContact O-N 2.85Å; T121-N125 PolarHBondContact O-ND2 3.47Å; T121-N125 VanDerWaalsContact O-ND2 3.13Å
122D96.8Very high93.7Very high82 Ų8253.1 Ų53.144%0.43931%0.307SS..Hα-helixtrans-67.1-40.9178.8-63.5-35.7000110.9L109 S119 N125 S126L109-D122 HydrophobicContact CD1-CB 4.08Å; S119-D122 PolarHBondContact O-N 2.92Å; S119-D122 VanDerWaalsContact O-N 3.12Å; S119-D122 WeakPolarHBondContact OG-CB 3.3Å; S119-D122 PolarHBondContact OG-N 3.12Å; S119-D122 PolarHBondContact OG-OD2 3.4Å; D122-N125 PolarHBondContact O-N 3.32Å; D122-S126 PolarHBondContact O-N 3.18Å
123I97Very high93.5Very high0 Ų057.1 Ų57.10%032%0.315CS..Hα-helixtrans-63.2-45.5176.2-61.3164000110.6L102 T106 L109 A118 S119 N125 S126 L144 Y160L102-I123 HydrophobicContact CD1-CG2 3.96Å; T106-I123 HydrophobicContact CG2-CD1 3.68Å; T106-I123 HydrophobicContact CG2-CG1 4Å; T106-I123 WeakPolarHBondContact OG1-CG2 3.42Å; L109-I123 HydrophobicContact CD1-CG1 3.92Å; A118-I123 HydrophobicContact CB-CD1 4.13Å; A118-I123 HydrophobicContact CB-CG1 4.08Å; S119-I123 WeakPolarHBondContact O-CG1 3.49Å; S119-I123 PolarHBondContact O-N 2.81Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.08Å; I123-S126 WeakPolarHBondContact O-CB 3.35Å; I123-S126 PolarHBondContact O-N 3.35Å; I123-S126 PolarHBondContact O-OG 3.36Å; I123-L144 HydrophobicContact CD1-CD1 4.42Å; I123-L144 HydrophobicContact CD1-CD2 4.2Å; I123-L144 HydrophobicContact CG2-CD1 4.09Å; I123-L144 HydrophobicContact CG2-CD2 4.15Å; I123-Y160 HydrophobicContact CD1-CD2 3.69Å; I123-Y160 HydrophobicContact CD1-CE2 4.46Å; I123-Y160 HydrophobicContact CD1-CG 3.95Å
124L94.9Very high93.2Very high20 Ų2061.5 Ų61.511%0.10533%0.33CS..Hα-helixtrans-59.9-42.1177-78.5164.7000112.1S120 T121 S126 T127 K137 T140 E141S120-L124 WeakPolarHBondContact O-CB 3.34Å; S120-L124 WeakPolarHBondContact O-CD1 3.35Å; S120-L124 VanDerWaalsContact O-CG 3.23Å; S120-L124 WeakPolarHBondContact O-CG 3.04Å; S120-L124 PolarHBondContact O-N 2.71Å; T121-L124 PolarHBondContact O-N 3.33Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 3.25Å; L124-T127 WeakPolarHBondContact O-CB 3.43Å; L124-T127 WeakPolarHBondContact O-CG2 3.38Å; L124-T127 PolarHBondContact O-N 3.43Å; L124-T127 PolarHBondContact O-OG1 3.36Å; L124-K137 HydrophobicContact CD2-CB 4.04Å; L124-K137 HydrophobicContact CD2-CG 4.2Å; L124-T140 HydrophobicContact CD2-CG2 3.52Å; L124-T140 HydrophobicContact CG-CG2 4.21Å; L124-E141 HydrophobicContact CD2-CG 4.37Å
125N94.6Very high93.2Very high91 Ų9154.2 Ų54.249%0.48730%0.297SS..Hα-helixtrans-68.8-28.6178.5-67-23.9000112.2T121 D122 I123 T127 D128T121-N125 WeakPolarHBondContact O-CB 3.49Å; T121-N125 PolarHBondContact O-N 2.85Å; T121-N125 PolarHBondContact O-ND2 3.47Å; T121-N125 VanDerWaalsContact O-ND2 3.13Å; D122-N125 PolarHBondContact O-N 3.32Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.08Å; N125-T127 PolarHBondContact O-N 3Å; N125-T127 VanDerWaalsContact O-N 3.14Å; N125-D128 PolarHBondContact O-N 3.38Å
126S93.9Very high93.3Very high14 Ų1456.6 Ų56.610%0.09830%0.303CS..Hα-helixtrans-61.9-22.1177.180.70000113.5D122 I123 L124 D128 T129D122-S126 PolarHBondContact O-N 3.18Å; I123-S126 WeakPolarHBondContact O-CB 3.35Å; I123-S126 PolarHBondContact O-N 3.35Å; I123-S126 PolarHBondContact O-OG 3.36Å; L124-S126 VanDerWaalsContact C-N 3.3Å; L124-S126 PolarHBondContact O-N 3.25Å; S126-D128 PolarHBondContact O-N 3.11Å; S126-T129 PolarHBondContact O-N 2.94Å; S126-T129 PolarHBondContact O-OG1 3.12Å
127T91.5Very high93.2Very high8 Ų863.5 Ų63.55%0.04933%0.333CS..G310 helixtrans-60.8-24.5178.564.70000113.6L102 L124 N125 T129 M130 T140L102-T127 HydrophobicContact CD1-CG2 3.91Å; L124-T127 WeakPolarHBondContact O-CB 3.43Å; L124-T127 WeakPolarHBondContact O-CG2 3.38Å; L124-T127 PolarHBondContact O-N 3.43Å; L124-T127 PolarHBondContact O-OG1 3.36Å; N125-T127 PolarHBondContact O-N 3Å; N125-T127 VanDerWaalsContact O-N 3.14Å; T127-T129 PolarHBondContact O-N 2.97Å; T127-M130 HydrophobicContact CG2-SD 4.1Å; T127-M130 PolarHBondContact O-N 3.29Å; T127-T140 HydrophobicContact CG2-CG2 4.35Å; T127-T140 WeakPolarHBondContact CG2-OG1 3.35Å
128D89.2Confident93.1Very high106 Ų10666.2 Ų66.257%0.56735%0.353SS*.G310 helixtrans-69.6-21177-67.8-25.2000112.6N125 S126 K134N125-D128 PolarHBondContact O-N 3.38Å; S126-D128 PolarHBondContact O-N 3.11Å; D128-K134 WeakPolarHBondContact OD1-CE 3.49Å; D128-K134 IonicContact OD1-NZ 2.56Å; D128-K134 PolarHBondContact OD1-NZ 3.07Å
129T89.8Confident93Very high85 Ų8569.6 Ų69.652%0.52137%0.368SS..G310 helixtrans-100.85.7-178.771.40000113.4K105 S126 T127K105-T129 PolarHBondContact NZ-OG1 2.77Å; S126-T129 PolarHBondContact O-N 2.94Å; S126-T129 PolarHBondContact O-OG1 3.12Å; T127-T129 PolarHBondContact O-N 2.97Å
130M90.6Very high92.9Very high21 Ų2168.9 Ų68.910%0.10336%0.363CS..  trans-72.9141.1177.8-69173.265.300110.9N98 E101 L102 T127 S132 L135N98-M130 HydrophobicContact CB-CE 4.02Å; N98-M130 WeakPolarHBondContact O-CE 3.44Å; E101-M130 HydrophobicContact CB-CE 4.18Å; E101-M130 HydrophobicContact CG-CE 4.43Å; E101-M130 HydrophobicContact CG-CG 4.32Å; E101-M130 WeakPolarHBondContact OE1-CA 3.32Å; L102-M130 HydrophobicContact CB-CE 4.25Å; L102-M130 HydrophobicContact CB-SD 4.27Å; L102-M130 HydrophobicContact CD1-SD 4.39Å; T127-M130 HydrophobicContact CG2-SD 4.1Å; T127-M130 PolarHBondContact O-N 3.29Å; M130-S132 WeakPolarHBondContact CE-OG 3.4Å; M130-L135 HydrophobicContact CE-CD1 4.32Å
131T89.3Confident92.9Very high133 Ų13372 Ų7282%0.81637%0.373SS*.SBendtrans-87.8-30.6176.256.30000112.1E101E101-T131 PolarHBondContact OE1-N 3.37Å; E101-T131 PolarHBondContact OE1-OG1 3.48Å; E101-T131 PolarHBondContact OE2-N 2.94Å; E101-T131 PolarHBondContact OE2-OG1 2.81Å
132S87.7Confident92.9Very high37 Ų3774 Ų7426%0.25938%0.377SS..SBendtrans-76.7-176.6172.968.20000112.4N98 E101 M130 K134N98-S132 WeakPolarHBondContact CA-OG 3.43Å; N98-S132 WeakPolarHBondContact CB-OG 3.42Å; E101-S132 WeakPolarHBondContact OE2-CB 3.48Å; E101-S132 PolarHBondContact OE2-N 2.95Å; E101-S132 PolarHBondContact OE2-OG 2.93Å; M130-S132 WeakPolarHBondContact CE-OG 3.4Å; S132-K134 PolarHBondContact O-N 3.27Å
133K89.3Confident92.9Very high165 Ų16570.1 Ų70.172%0.71736%0.356SS*.SBendtrans-58.2112.5177-177.3-175.4174.8-171.90110.3N98 L135N98-K133 WeakPolarHBondContact CB-O 3.38Å; N98-K133 PolarHBondContact ND2-O 2.9Å; K133-L135 PolarHBondContact O-N 2.99Å
134K90.3Very high93Very high116 Ų11670.2 Ų70.250%0.50436%0.357SS..PPolyproline II helixtrans-51.1126.6175.4-173.5175.3-175.5177.60111.7D128 S132D128-K134 WeakPolarHBondContact OD1-CE 3.49Å; D128-K134 IonicContact OD1-NZ 2.56Å; D128-K134 PolarHBondContact OD1-NZ 3.07Å; S132-K134 PolarHBondContact O-N 3.27Å
135L91.8Very high93.1Very high15 Ų1572.6 Ų72.68%0.07937%0.372CS..PPolyproline II helixtrans-79.6140.7172.9-69167.3000110.3N98 L102 M130 K133 E139 T140 L143N98-L135 VanDerWaalsContact ND2-CD2 3.31Å; N98-L135 WeakPolarHBondContact ND2-CD2 3.39Å; L102-L135 HydrophobicContact CB-CD1 4.15Å; L102-L135 HydrophobicContact CD2-CD1 3.59Å; L102-L135 HydrophobicContact CG-CD1 4.49Å; M130-L135 HydrophobicContact CE-CD1 4.32Å; K133-L135 PolarHBondContact O-N 2.99Å; L135-E139 HydrophobicContact CB-CB 4.42Å; L135-E139 HydrophobicContact CD2-CB 4.1Å; L135-T140 WeakPolarHBondContact CB-OG1 3.24Å; L135-L143 HydrophobicContact CD1-CD2 4.06Å
136K93.5Very high93.2Very high141 Ų14171.8 Ų71.861%0.61336%0.362SS*.PPolyproline II helixtrans-70.7155.6168.2-63.5175.1-177171.50109.7S138 E139 T140K136-S138 VanDerWaalsContact C-N 3.28Å; K136-S138 PolarHBondContact O-N 3Å; K136-E139 HydrophobicContact CB-CB 4.41Å; K136-E139 HydrophobicContact CB-CG 4.07Å; K136-E139 WeakPolarHBondContact CB-OE2 3.36Å; K136-E139 PolarHBondContact N-OE2 2.92Å; K136-E139 WeakPolarHBondContact O-CA 3.49Å; K136-E139 WeakPolarHBondContact O-CB 3.36Å; K136-E139 PolarHBondContact O-N 3.32Å; K136-T140 PolarHBondContact O-N 3.09Å; K136-T140 PolarHBondContact O-OG1 2.87Å
137K92.8Very high93.3Very high144 Ų14471.1 Ų71.163%0.62636%0.358SS*.Hα-helixtrans-51-45.9177.9-65-170.4176.1-171.80113.1L124 E139 T140 E141L124-K137 HydrophobicContact CD2-CB 4.04Å; L124-K137 HydrophobicContact CD2-CG 4.2Å; K137-E139 VanDerWaalsContact C-N 3.32Å; K137-E139 PolarHBondContact O-N 3.38Å; K137-T140 WeakPolarHBondContact O-CB 3.47Å; K137-T140 PolarHBondContact O-N 3.48Å; K137-E141 WeakPolarHBondContact O-CG 3.41Å; K137-E141 PolarHBondContact O-N 2.77Å
138S94.7Very high93.5Very high77 Ų7773.1 Ų73.154%0.53837%0.37SS..Hα-helixtrans-64.9-33.4177.1580000113.5K136 H142K136-S138 VanDerWaalsContact C-N 3.28Å; K136-S138 PolarHBondContact O-N 3Å; S138-H142 WeakPolarHBondContact O-CB 3.11Å; S138-H142 PolarHBondContact O-N 2.81Å; S138-H142 VanDerWaalsContact O-N 3.14Å
139E95.4Very high93.8Very high75 Ų7574.6 Ų74.635%0.3537%0.373SS..Hα-helixtrans-72-40.1176.6-64.5168.7162.300110.2L135 K136 K137 H142 L143L135-E139 HydrophobicContact CB-CB 4.42Å; L135-E139 HydrophobicContact CD2-CB 4.1Å; K136-E139 HydrophobicContact CB-CB 4.41Å; K136-E139 HydrophobicContact CB-CG 4.07Å; K136-E139 WeakPolarHBondContact CB-OE2 3.36Å; K136-E139 PolarHBondContact N-OE2 2.92Å; K136-E139 WeakPolarHBondContact O-CA 3.49Å; K136-E139 WeakPolarHBondContact O-CB 3.36Å; K136-E139 PolarHBondContact O-N 3.32Å; K137-E139 VanDerWaalsContact C-N 3.32Å; K137-E139 PolarHBondContact O-N 3.38Å; E139-H142 PolarHBondContact O-N 3.08Å; E139-L143 WeakPolarHBondContact O-CB 3.42Å; E139-L143 PolarHBondContact O-N 3.42Å
140T95.6Very high93.8Very high0 Ų073.3 Ų73.30%036%0.363CS..Hα-helixtrans-61.9-47.7174-61.60000112.1L102 L124 T127 L135 K136 K137 H142 L143 L144L102-T140 HydrophobicContact CD2-CG2 3.58Å; L124-T140 HydrophobicContact CD2-CG2 3.52Å; L124-T140 HydrophobicContact CG-CG2 4.21Å; T127-T140 HydrophobicContact CG2-CG2 4.35Å; T127-T140 WeakPolarHBondContact CG2-OG1 3.35Å; L135-T140 WeakPolarHBondContact CB-OG1 3.24Å; K136-T140 PolarHBondContact O-N 3.09Å; K136-T140 PolarHBondContact O-OG1 2.87Å; K137-T140 WeakPolarHBondContact O-CB 3.47Å; K137-T140 PolarHBondContact O-N 3.48Å; T140-H142 VanDerWaalsContact C-N 3.32Å; T140-H142 PolarHBondContact O-N 3.43Å; T140-L143 PolarHBondContact O-N 2.77Å; T140-L144 HydrophobicContact CG2-CD1 4.29Å; T140-L144 WeakPolarHBondContact O-CG 3.46Å; T140-L144 PolarHBondContact O-N 2.76Å
141E95.8Very high93.9Very high103 Ų10377 Ų7748%0.48138%0.379SS..Hα-helixtrans-61.1-41.4177.2-72.8170.4171.200111.9L124 K137 L144 T145L124-E141 HydrophobicContact CD2-CG 4.37Å; K137-E141 WeakPolarHBondContact O-CG 3.41Å; K137-E141 PolarHBondContact O-N 2.77Å; E141-L144 PolarHBondContact O-N 2.71Å; E141-T145 PolarHBondContact O-N 3.43Å; E141-T145 PolarHBondContact O-OG1 3.03Å
142H96.8Very high94.2Very high120 Ų12071 Ų7156%0.55634%0.341SS*.Hα-helixtrans-64-42.9175.4-178.9-90.7000111.7S138 E139 T140 T145 R146S138-H142 WeakPolarHBondContact O-CB 3.11Å; S138-H142 PolarHBondContact O-N 2.81Å; S138-H142 VanDerWaalsContact O-N 3.14Å; E139-H142 PolarHBondContact O-N 3.08Å; T140-H142 VanDerWaalsContact C-N 3.32Å; T140-H142 PolarHBondContact O-N 3.43Å; H142-T145 WeakPolarHBondContact O-CB 3.4Å; H142-T145 PolarHBondContact O-N 2.61Å; H142-R146 PolarHBondContact O-N 2.85Å
143L96.9Very high94.6Very high2 Ų269.3 Ų69.31%0.0133%0.329CS..Hα-helixtrans-64.2-42.8176.1174.559.7000112Y95 E99 L102 L135 E139 T140 T145 R146 L147Y95-L143 HydrophobicContact CD1-CD1 3.81Å; Y95-L143 HydrophobicContact CE1-CD1 3.85Å; E99-L143 HydrophobicContact CB-CD1 4.01Å; E99-L143 HydrophobicContact CB-CD2 3.54Å; E99-L143 HydrophobicContact CB-CG 4.45Å; E99-L143 HydrophobicContact CG-CD1 4.23Å; E99-L143 HydrophobicContact CG-CD2 3.81Å; L102-L143 HydrophobicContact CB-CD2 4.41Å; L102-L143 HydrophobicContact CD2-CD2 3.74Å; L135-L143 HydrophobicContact CD1-CD2 4.06Å; E139-L143 WeakPolarHBondContact O-CB 3.42Å; E139-L143 PolarHBondContact O-N 3.42Å; T140-L143 PolarHBondContact O-N 2.77Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 2.92Å; L143-R146 WeakPolarHBondContact O-CB 3.31Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-R146 VanDerWaalsContact O-N 3.13Å; L143-L147 HydrophobicContact CD1-CD1 4.21Å; L143-L147 HydrophobicContact CD1-CG 4.05Å; L143-L147 HydrophobicContact CG-CD1 4.01Å; L143-L147 HydrophobicContact CG-CG 4.34Å; L143-L147 WeakPolarHBondContact O-CG 3.35Å; L143-L147 PolarHBondContact O-N 3.09Å
144L97.7Very high94.9Very high2 Ų263.4 Ų63.41%0.0131%0.308CS..Hα-helixtrans-58.9-41.9174.8-74.2174.9000111.7I123 T140 E141 R146 L147 V148 L153 Y160I123-L144 HydrophobicContact CD1-CD1 4.42Å; I123-L144 HydrophobicContact CD1-CD2 4.2Å; I123-L144 HydrophobicContact CG2-CD1 4.09Å; I123-L144 HydrophobicContact CG2-CD2 4.15Å; T140-L144 HydrophobicContact CG2-CD1 4.29Å; T140-L144 WeakPolarHBondContact O-CG 3.46Å; T140-L144 PolarHBondContact O-N 2.76Å; E141-L144 PolarHBondContact O-N 2.71Å; L144-R146 VanDerWaalsContact C-N 3.35Å; L144-R146 PolarHBondContact O-N 3.45Å; L144-L147 HydrophobicContact CD2-CD1 4.42Å; L144-L147 PolarHBondContact O-N 2.69Å; L144-V148 WeakPolarHBondContact O-CG2 3.37Å; L144-V148 PolarHBondContact O-N 2.78Å; L144-L153 HydrophobicContact CD2-CD1 3.87Å; L144-Y160 HydrophobicContact CB-CE1 3.84Å; L144-Y160 HydrophobicContact CD1-CE1 4.41Å; L144-Y160 HydrophobicContact CD1-CE2 4Å; L144-Y160 HydrophobicContact CD2-CD1 4.26Å; L144-Y160 HydrophobicContact CD2-CE1 4.14Å; L144-Y160 HydrophobicContact CG-CE1 4.36Å
145T97.1Very high95.2Very high69 Ų6961.9 Ų61.942%0.42330%0.303SS..Hα-helixtrans-60.7-44.4174.5-56.60000111.4E141 H142 L143 V148 Q149E141-T145 PolarHBondContact O-N 3.43Å; E141-T145 PolarHBondContact O-OG1 3.03Å; H142-T145 WeakPolarHBondContact O-CB 3.4Å; H142-T145 PolarHBondContact O-N 2.61Å; L143-T145 VanDerWaalsContact C-N 3.28Å; L143-T145 PolarHBondContact O-N 2.92Å; T145-V148 PolarHBondContact O-N 3.01Å; T145-Q149 WeakPolarHBondContact O-CG 3.33Å; T145-Q149 PolarHBondContact O-N 3.4Å
146R96.7Very high95.4Very high74 Ų7468.2 Ų68.228%0.27933%0.326SS..Hα-helixtrans-62.7-45.6175.7-75.1-175.162.5-154.2-2.3112.2E99 H142 L143 L144 V148 Q149 D150E99-R146 IonicContact OE1-NH1 3.68Å; H142-R146 PolarHBondContact O-N 2.85Å; L143-R146 WeakPolarHBondContact O-CB 3.31Å; L143-R146 PolarHBondContact O-N 2.9Å; L143-R146 VanDerWaalsContact O-N 3.13Å; L144-R146 VanDerWaalsContact C-N 3.35Å; L144-R146 PolarHBondContact O-N 3.45Å; R146-V148 PolarHBondContact O-N 3.4Å; R146-Q149 WeakPolarHBondContact O-CB 3.44Å; R146-Q149 PolarHBondContact O-N 2.81Å; R146-D150 WeakPolarHBondContact O-CB 3.48Å; R146-D150 VanDerWaalsContact O-CG 3.29Å; R146-D150 PolarHBondContact O-N 3.07Å
147L96.4Very high95.4Very high1 Ų173.5 Ų73.51%0.00534%0.342CS..Hα-helixtrans-59.2-32.7176.9-72.1167.9000112M91 Y95 F103 L143 L144 K151 W152 L153M91-L147 HydrophobicContact CE-CD2 3.42Å; M91-L147 VanDerWaalsContact CE-CD2 3.42Å; Y95-L147 HydrophobicContact CE1-CD2 3.9Å; Y95-L147 HydrophobicContact CE1-CG 4.47Å; Y95-L147 HydrophobicContact CE2-CD2 4.45Å; F103-L147 HydrophobicContact CD2-CD1 4.08Å; F103-L147 HydrophobicContact CD2-CD2 3.95Å; L143-L147 HydrophobicContact CD1-CD1 4.21Å; L143-L147 HydrophobicContact CD1-CG 4.05Å; L143-L147 HydrophobicContact CG-CD1 4.01Å; L143-L147 HydrophobicContact CG-CG 4.34Å; L143-L147 WeakPolarHBondContact O-CG 3.35Å; L143-L147 PolarHBondContact O-N 3.09Å; L144-L147 HydrophobicContact CD2-CD1 4.42Å; L144-L147 PolarHBondContact O-N 2.69Å; L147-K151 PolarHBondContact O-N 3.29Å; L147-W152 HydrophobicContact CB-CB 4.41Å; L147-W152 HydrophobicContact CD2-CB 4.02Å; L147-W152 HydrophobicContact CD2-CG 4.23Å; L147-W152 WeakPolarHBondContact O-CA 3.45Å; L147-W152 WeakPolarHBondContact O-CB 3.27Å; L147-W152 PolarHBondContact O-N 3.47Å; L147-L153 HydrophobicContact CB-CB 4.45Å; L147-L153 HydrophobicContact CB-CD1 3.94Å; L147-L153 HydrophobicContact CB-CG 4.11Å; L147-L153 HydrophobicContact CD1-CD1 3.93Å; L147-L153 PolarHBondContact O-N 2.95Å; L147-L153 VanDerWaalsContact O-N 3.08Å
148V96.6Very high95.5Very high50 Ų5067.6 Ų67.630%0.30332%0.322SS..Hα-helixtrans-72-46.1172.4173.80000111.6L144 T145 R146 D150 K151 L153 E155 Y160L144-V148 WeakPolarHBondContact O-CG2 3.37Å; L144-V148 PolarHBondContact O-N 2.78Å; T145-V148 PolarHBondContact O-N 3.01Å; R146-V148 PolarHBondContact O-N 3.4Å; V148-D150 VanDerWaalsContact C-N 3.3Å; V148-D150 PolarHBondContact O-N 3.23Å; V148-K151 WeakPolarHBondContact O-CA 3.49Å; V148-K151 PolarHBondContact O-N 3.04Å; V148-L153 WeakPolarHBondContact CA-O 3.31Å; V148-L153 HydrophobicContact CG2-CB 4.05Å; V148-E155 HydrophobicContact CG2-CB 3.94Å; V148-Y160 HydrophobicContact CG2-CD1 4.21Å; V148-Y160 HydrophobicContact CG2-CE1 3.92Å
149Q94.3Very high95.6Very high137 Ų13767.3 Ų67.364%0.6431%0.312SS*.Hα-helixtrans-59.5-41.7177.6-72.3171.8-4.200112.2T145 R146 K151T145-Q149 WeakPolarHBondContact O-CG 3.33Å; T145-Q149 PolarHBondContact O-N 3.4Å; R146-Q149 WeakPolarHBondContact O-CB 3.44Å; R146-Q149 PolarHBondContact O-N 2.81Å; Q149-K151 PolarHBondContact O-N 3.33Å
150D91.5Very high95.8Very high57 Ų5765 Ų6531%0.30530%0.3SS..THydrogen-bonded Turntrans-77.82.5178.5-62.9-28.5000112.2Y95 R146 V148 W152 R165Y95-D150 WeakPolarHBondContact OH-CB 3.41Å; Y95-D150 PolarHBondContact OH-OD2 3.23Å; R146-D150 WeakPolarHBondContact O-CB 3.48Å; R146-D150 VanDerWaalsContact O-CG 3.29Å; R146-D150 PolarHBondContact O-N 3.07Å; V148-D150 VanDerWaalsContact C-N 3.3Å; V148-D150 PolarHBondContact O-N 3.23Å; D150-W152 VanDerWaalsContact C-N 3.33Å; D150-W152 PolarHBondContact O-N 2.98Å; D150-R165 PolarHBondContact O-NH1 2.91Å
151K92.2Very high95.8Very high100 Ų10065.8 Ų65.844%0.43531%0.305SS..THydrogen-bonded Turntrans57.642.5179.4-50.2176.8-177.9175.40112.3I21 L147 V148 Q149 S163 R165I21-K151 HydrophobicContact CG2-CD 4.05Å; L147-K151 PolarHBondContact O-N 3.29Å; V148-K151 WeakPolarHBondContact O-CA 3.49Å; V148-K151 PolarHBondContact O-N 3.04Å; Q149-K151 PolarHBondContact O-N 3.33Å; K151-S163 PolarHBondContact O-OG 2.59Å; K151-R165 HydrophobicContact CB-CB 4.48Å; K151-R165 WeakPolarHBondContact O-CB 3.25Å; K151-R165 WeakPolarHBondContact O-CD 3.41Å
152W94.2Very high95.9Very high5 Ų561.2 Ų61.22%0.01928%0.284CS..SBendtrans-90.8-45.3164.1-66.6111.4000110.1R90 M91 Y95 F103 L147 D150 S163 C166 E169 M170R90-W152 HydrophobicContact CB-CH2 4.41Å; R90-W152 HydrophobicContact CB-CZ2 4.5Å; M91-W152 HydrophobicContact CE-CB 4.49Å; M91-W152 HydrophobicContact CE-CD2 4.11Å; M91-W152 HydrophobicContact CE-CG 3.92Å; M91-W152 HydrophobicContact CG-CD2 4.01Å; M91-W152 HydrophobicContact CG-CE3 4.35Å; M91-W152 HydrophobicContact CG-CH2 3.85Å; M91-W152 HydrophobicContact CG-CZ2 3.42Å; M91-W152 VanDerWaalsContact CG-CZ2 3.42Å; M91-W152 HydrophobicContact CG-CZ3 4.29Å; M91-W152 HydrophobicContact SD-CD2 3.7Å; M91-W152 HydrophobicContact SD-CE3 3.89Å; M91-W152 HydrophobicContact SD-CG 4.14Å; M91-W152 HydrophobicContact SD-CH2 4.39Å; M91-W152 HydrophobicContact SD-CZ2 4.21Å; M91-W152 HydrophobicContact SD-CZ3 4.24Å; Y95-W152 AromaticContact CE2-NE1 3.71Å; Y95-W152 AromaticContact CZ-CD1 3.99Å; Y95-W152 PolarHBondContact OH-NE1 3.03Å; F103-W152 HydrophobicContact CE2-CB 4.14Å; L147-W152 HydrophobicContact CB-CB 4.41Å; L147-W152 HydrophobicContact CD2-CB 4.02Å; L147-W152 HydrophobicContact CD2-CG 4.23Å; L147-W152 WeakPolarHBondContact O-CA 3.45Å; L147-W152 WeakPolarHBondContact O-CB 3.27Å; L147-W152 PolarHBondContact O-N 3.47Å; D150-W152 VanDerWaalsContact C-N 3.33Å; D150-W152 PolarHBondContact O-N 2.98Å; W152-S163 WeakPolarHBondContact O-CB 3.48Å; W152-S163 PolarHBondContact O-N 2.98Å; W152-S163 PolarHBondContact O-OG 3.32Å; W152-C166 HydrophobicContact CE3-CB 3.95Å; W152-C166 WeakPolarHBondContact O-CB 3.34Å; W152-E169 HydrophobicContact CZ3-CB 4.4Å; W152-M170 HydrophobicContact CZ3-CG 4.4Å; W152-M170 HydrophobicContact CZ3-SD 4.45Å
153L96.7Very high95.8Very high2 Ų255.8 Ų55.81%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-112.6160.5178-61.2177.3000111.9F103 T106 I110 L144 L147 V148 Y160 T161 L162F103-L153 HydrophobicContact CE2-CD2 4.14Å; F103-L153 HydrophobicContact CE2-CG 4.41Å; T106-L153 HydrophobicContact CG2-CD1 4.13Å; T106-L153 HydrophobicContact CG2-CD2 4.45Å; I110-L153 HydrophobicContact CD1-CD2 4.16Å; L144-L153 HydrophobicContact CD2-CD1 3.87Å; L147-L153 HydrophobicContact CB-CB 4.45Å; L147-L153 HydrophobicContact CB-CD1 3.94Å; L147-L153 HydrophobicContact CB-CG 4.11Å; L147-L153 HydrophobicContact CD1-CD1 3.93Å; L147-L153 PolarHBondContact O-N 2.95Å; L147-L153 VanDerWaalsContact O-N 3.08Å; V148-L153 WeakPolarHBondContact CA-O 3.31Å; V148-L153 HydrophobicContact CG2-CB 4.05Å; L153-Y160 HydrophobicContact CB-CD1 4.3Å; L153-Y160 HydrophobicContact CD1-CD1 4.08Å; L153-T161 CarbonylContact C-O 3.6Å; L153-T161 WeakPolarHBondContact CA-O 3.49Å; L153-L162 HydrophobicContact CD2-CD2 3.75Å
154C96.4Very high95.7Very high42 Ų4256.8 Ų56.828%0.28427%0.266SS..EExtended strand (participates in β ladder)trans-117.6136.4164.4-68.80000108.4Y160 T161C154-Y160 CarbonylContact O-C 3.29Å; C154-Y160 VanDerWaalsContact O-CA 3.31Å; C154-Y160 WeakPolarHBondContact O-CA 3.43Å; C154-T161 HydrophobicContact CB-CG2 3.91Å; C154-T161 PolarHBondContact N-O 2.94Å; C154-T161 PolarHBondContact O-N 2.84Å
155E96.7Very high95.5Very high83 Ų8358 Ų5839%0.38827%0.27SS..EExtended strand (participates in β ladder)trans-112.5138.9177.9-176.2-79.8144.200110.7V148 R157 G158 E159 Y160V148-E155 HydrophobicContact CG2-CB 3.94Å; E155-R157 PolarHBondContact OE1-N 3.32Å; E155-G158 PolarHBondContact OE1-N 2.79Å; E155-E159 CarbonylContact C-O 3.57Å; E155-E159 VanDerWaalsContact CA-O 3.31Å; E155-E159 WeakPolarHBondContact CA-O 3.5Å; E155-Y160 HydrophobicContact CB-CD1 3.95Å; E155-Y160 HydrophobicContact CB-CE1 3.69Å; E155-Y160 HydrophobicContact CG-CD1 4.23Å; E155-Y160 HydrophobicContact CG-CE1 3.73Å; E155-Y160 HydrophobicContact CG-CE2 4.08Å
156R94.9Very high95.4Very high148 Ų14854.7 Ų54.756%0.55825%0.25SS*.EExtended strand (participates in β ladder)trans-145.1109.1172.2-65.2-174177.4-130.5-19.9110.7E72 G158 E159E72-R156 IonicContact OE1-CZ 3.43Å; E72-R156 IonicContact OE1-NH1 2.85Å; E72-R156 IonicContact OE1-NH2 3.3Å; E72-R156 PolarHBondContact OE1-NH2 3.05Å; E72-R156 IonicContact OE2-CZ 2.59Å; E72-R156 IonicContact OE2-NH2 3.81Å; E72-R156 PolarHBondContact OE2-NH2 3.32Å; R156-G158 VanDerWaalsContact C-N 3.28Å; R156-G158 PolarHBondContact O-N 3.5Å; R156-E159 PolarHBondContact N-O 3.2Å; R156-E159 WeakPolarHBondContact O-CB 3.45Å; R156-E159 PolarHBondContact O-N 2.9Å; R156-E159 VanDerWaalsContact O-N 3.08Å
157R94.4Very high95.2Very high252 Ų25252.1 Ų52.195%0.95124%0.242SC*.THydrogen-bonded Turntrans56.938.9173.5-56-178.9176.2-177.1-1113.3E155 E159E155-R157 PolarHBondContact OE1-N 3.32Å; R157-E159 VanDerWaalsContact C-N 3.34Å
158G94.5Very high95.1Very high21 Ų2152.4 Ų52.422%0.21624%0.243CC..THydrogen-bonded Turntrans86.6-2.6-178.200000114.5S120 E155 R156S120-G158 WeakPolarHBondContact CB-O 3.05Å; S120-G158 PolarHBondContact N-O 3.28Å; E155-G158 PolarHBondContact OE1-N 2.79Å; R156-G158 VanDerWaalsContact C-N 3.28Å; R156-G158 PolarHBondContact O-N 3.5Å
159E97.4Very high94.8Very high71 Ų7150.9 Ų50.933%0.33223%0.233SC..EExtended strand (participates in β ladder)trans-98.2135.9174.7-67.2-66.1138.100110.8T117 S119 E155 R156 R157T117-E159 WeakPolarHBondContact CB-OE2 3.5Å; T117-E159 PolarHBondContact OG1-OE2 3.14Å; S119-E159 WeakPolarHBondContact CA-OE1 3.46Å; S119-E159 WeakPolarHBondContact CB-OE1 3.45Å; S119-E159 PolarHBondContact N-OE2 2.7Å; E155-E159 CarbonylContact C-O 3.57Å; E155-E159 VanDerWaalsContact CA-O 3.31Å; E155-E159 WeakPolarHBondContact CA-O 3.5Å; R156-E159 PolarHBondContact N-O 3.2Å; R156-E159 WeakPolarHBondContact O-CB 3.45Å; R156-E159 PolarHBondContact O-N 2.9Å; R156-E159 VanDerWaalsContact O-N 3.08Å; R157-E159 VanDerWaalsContact C-N 3.34Å
160Y98Very high94.6Very high25 Ų2544.8 Ų44.810%0.09820%0.204CC..EExtended strand (participates in β ladder)trans-112140.3178.9-67.5-97.1000110.9T117 A118 I123 L144 V148 L153 C154 E155T117-Y160 CarbonylContact C-O 3.58Å; T117-Y160 WeakPolarHBondContact CA-O 3.42Å; T117-Y160 WeakPolarHBondContact CB-O 3.48Å; A118-Y160 PolarHBondContact N-O 3.07Å; A118-Y160 PolarHBondContact O-N 2.95Å; I123-Y160 HydrophobicContact CD1-CD2 3.69Å; I123-Y160 HydrophobicContact CD1-CE2 4.46Å; I123-Y160 HydrophobicContact CD1-CG 3.95Å; L144-Y160 HydrophobicContact CB-CE1 3.84Å; L144-Y160 HydrophobicContact CD1-CE1 4.41Å; L144-Y160 HydrophobicContact CD1-CE2 4Å; L144-Y160 HydrophobicContact CD2-CD1 4.26Å; L144-Y160 HydrophobicContact CD2-CE1 4.14Å; L144-Y160 HydrophobicContact CG-CE1 4.36Å; V148-Y160 HydrophobicContact CG2-CD1 4.21Å; V148-Y160 HydrophobicContact CG2-CE1 3.92Å; L153-Y160 HydrophobicContact CB-CD1 4.3Å; L153-Y160 HydrophobicContact CD1-CD1 4.08Å; C154-Y160 CarbonylContact O-C 3.29Å; C154-Y160 VanDerWaalsContact O-CA 3.31Å; C154-Y160 WeakPolarHBondContact O-CA 3.43Å; E155-Y160 HydrophobicContact CB-CD1 3.95Å; E155-Y160 HydrophobicContact CB-CE1 3.69Å; E155-Y160 HydrophobicContact CG-CD1 4.23Å; E155-Y160 HydrophobicContact CG-CE1 3.73Å; E155-Y160 HydrophobicContact CG-CE2 4.08Å
161T97.6Very high94.6Very high17 Ų1742.8 Ų42.810%0.10419%0.193CC..EExtended strand (participates in β ladder)trans-136.1168.8170.5-168.10000110.1G116 L153 C154G116-T161 WeakPolarHBondContact O-CB 3.26Å; G116-T161 PolarHBondContact O-OG1 3.45Å; L153-T161 CarbonylContact C-O 3.6Å; L153-T161 WeakPolarHBondContact CA-O 3.49Å; C154-T161 HydrophobicContact CB-CG2 3.91Å; C154-T161 PolarHBondContact N-O 2.94Å; C154-T161 PolarHBondContact O-N 2.84Å
162L96.6Very high94.5Very high7 Ų739 Ų394%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-71.1135.5174.9-58-170.1000110.2L107 I110 L153 C166 I167 I174 F193L107-L162 HydrophobicContact CD1-CD1 3.99Å; L107-L162 HydrophobicContact CD1-CD2 4.15Å; L107-L162 HydrophobicContact CG-CD1 4.49Å; I110-L162 HydrophobicContact CD1-CD2 3.85Å; I110-L162 HydrophobicContact CD1-CG 4.35Å; I110-L162 HydrophobicContact CG2-CG 4.18Å; L153-L162 HydrophobicContact CD2-CD2 3.75Å; L162-C166 HydrophobicContact CB-CB 4.35Å; L162-I167 HydrophobicContact CB-CD1 4.22Å; L162-I167 HydrophobicContact CB-CG1 3.75Å; L162-I167 HydrophobicContact CD1-CG1 4.32Å; L162-I174 HydrophobicContact CD1-CD1 3.88Å; L162-F193 HydrophobicContact CD1-CD2 4.37Å; L162-F193 HydrophobicContact CD1-CE1 3.92Å; L162-F193 HydrophobicContact CD1-CE2 3.67Å; L162-F193 HydrophobicContact CD1-CZ 3.4Å; L162-F193 HydrophobicContact CG-CZ 4.38Å
163S95.4Very high94.3Very high6 Ų640.1 Ų40.14%0.04218%0.183CC..  trans-69.3161.5170.2700000111.4K151 W152 R165 C166 I167K151-S163 PolarHBondContact O-OG 2.59Å; W152-S163 WeakPolarHBondContact O-CB 3.48Å; W152-S163 PolarHBondContact O-N 2.98Å; W152-S163 PolarHBondContact O-OG 3.32Å; S163-R165 PolarHBondContact O-N 2.87Å; S163-C166 PolarHBondContact O-N 3.41Å; S163-C166 VanDerWaalsContact O-N 3.17Å; S163-C166 WeakPolarHBondContact OG-CB 3.15Å; S163-C166 PolarHBondContact OG-N 3.43Å; S163-C166 VanDerWaalsContact OG-N 3.09Å; S163-I167 WeakPolarHBondContact O-CG1 3.48Å; S163-I167 PolarHBondContact O-N 3.28Å
164T95Very high94.1Very high23 Ų2340 Ų4014%0.14118%0.182CC..Hα-helixtrans-58.2-35.3173.7-53.20000112.5I21 S70 Y77 I167 I168I21-T164 HydrophobicContact CD1-CG2 4.17Å; S70-T164 WeakPolarHBondContact CA-OG1 3.41Å; S70-T164 VanDerWaalsContact CB-OG1 3.3Å; S70-T164 WeakPolarHBondContact CB-OG1 3.37Å; S70-T164 PolarHBondContact OG-OG1 3.3Å; Y77-T164 HydrophobicContact CD2-CG2 3.84Å; Y77-T164 HydrophobicContact CG-CG2 4.22Å; T164-I167 PolarHBondContact O-N 2.84Å; T164-I168 HydrophobicContact CG2-CD1 3.87Å; T164-I168 WeakPolarHBondContact O-CD1 3.46Å; T164-I168 VanDerWaalsContact O-CG1 3.24Å; T164-I168 WeakPolarHBondContact O-CG1 3.37Å; T164-I168 PolarHBondContact O-N 3.19Å; T164-I168 VanDerWaalsContact O-N 3.11Å
165R93.1Very high93.8Very high28 Ų2841.7 Ų41.711%0.10618%0.183CC..Hα-helixtrans-62.2-50.8175.4177.2-174.1173.8-165.3-7111I21 D150 K151 S163 I167 I168 E169I21-R165 HydrophobicContact CB-CB 4.19Å; I21-R165 HydrophobicContact CB-CG 4.31Å; I21-R165 HydrophobicContact CD1-CB 3.85Å; I21-R165 HydrophobicContact CG2-CB 4.18Å; D150-R165 PolarHBondContact O-NH1 2.91Å; K151-R165 HydrophobicContact CB-CB 4.48Å; K151-R165 WeakPolarHBondContact O-CB 3.25Å; K151-R165 WeakPolarHBondContact O-CD 3.41Å; S163-R165 PolarHBondContact O-N 2.87Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 2.87Å; R165-I168 PolarHBondContact O-N 2.91Å; R165-E169 HydrophobicContact CG-CG 4.37Å; R165-E169 WeakPolarHBondContact CG-OE1 3.3Å; R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NE-OE1 3.73Å; R165-E169 PolarHBondContact NE-OE1 3.5Å; R165-E169 IonicContact NH2-OE1 3.47Å; R165-E169 WeakPolarHBondContact O-CB 3.34Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 3.45Å
166C93.8Very high93.5Very high0 Ų041 Ų410%018%0.184CC..Hα-helixtrans-58.9-45.4178.8-1760000111.9W152 L162 S163 I168 E169 M170W152-C166 HydrophobicContact CE3-CB 3.95Å; W152-C166 WeakPolarHBondContact O-CB 3.34Å; L162-C166 HydrophobicContact CB-CB 4.35Å; S163-C166 PolarHBondContact O-N 3.41Å; S163-C166 VanDerWaalsContact O-N 3.17Å; S163-C166 WeakPolarHBondContact OG-CB 3.15Å; S163-C166 PolarHBondContact OG-N 3.43Å; S163-C166 VanDerWaalsContact OG-N 3.09Å; C166-I168 VanDerWaalsContact C-N 3.33Å; C166-I168 PolarHBondContact O-N 3.4Å; C166-E169 PolarHBondContact O-N 2.87Å; C166-M170 VanDerWaalsContact O-CB 3.25Å; C166-M170 WeakPolarHBondContact O-CB 3.3Å; C166-M170 PolarHBondContact O-N 3.27Å
167I94.5Very high93.3Very high19 Ų1939.1 Ų39.110%0.09718%0.183CC..Hα-helixtrans-60.2-44.7179.7-63.9167.4000110.7E71 L162 S163 T164 R165 E171 F193E71-I167 HydrophobicContact CG-CD1 4.4Å; L162-I167 HydrophobicContact CB-CD1 4.22Å; L162-I167 HydrophobicContact CB-CG1 3.75Å; L162-I167 HydrophobicContact CD1-CG1 4.32Å; S163-I167 WeakPolarHBondContact O-CG1 3.48Å; S163-I167 PolarHBondContact O-N 3.28Å; T164-I167 PolarHBondContact O-N 2.84Å; R165-I167 VanDerWaalsContact C-N 3.34Å; R165-I167 PolarHBondContact O-N 2.87Å; I167-E171 WeakPolarHBondContact O-CA 3.42Å; I167-E171 VanDerWaalsContact O-CB 3.28Å; I167-E171 WeakPolarHBondContact O-CB 3.49Å; I167-E171 PolarHBondContact O-N 3.45Å; I167-F193 HydrophobicContact CD1-CD2 3.89Å; I167-F193 HydrophobicContact CD1-CE2 4.35Å; I167-F193 HydrophobicContact CG1-CD2 4Å; I167-F193 HydrophobicContact CG1-CE2 3.94Å
168I93Very high93.2Very high8 Ų827.8 Ų27.84%0.04114%0.14CC..Hα-helixtrans-68-48-179.5-65.4167.9000111.3I21 R66 A79 V81 T164 R165 C166I21-I168 HydrophobicContact CD1-CD1 4.41Å; R66-I168 HydrophobicContact CB-CG2 4.18Å; A79-I168 HydrophobicContact CB-CB 4.49Å; A79-I168 HydrophobicContact CB-CG2 3.9Å; V81-I168 HydrophobicContact CG2-CG2 3.62Å; V81-I168 WeakPolarHBondContact CG2-O 3.46Å; T164-I168 HydrophobicContact CG2-CD1 3.87Å; T164-I168 WeakPolarHBondContact O-CD1 3.46Å; T164-I168 VanDerWaalsContact O-CG1 3.24Å; T164-I168 WeakPolarHBondContact O-CG1 3.37Å; T164-I168 PolarHBondContact O-N 3.19Å; T164-I168 VanDerWaalsContact O-N 3.11Å; R165-I168 PolarHBondContact O-N 2.91Å; C166-I168 VanDerWaalsContact C-N 3.33Å; C166-I168 PolarHBondContact O-N 3.4Å
169E91Very high92.9Very high18 Ų1833.7 Ų33.78%0.08416%0.162CC..Hα-helixtrans-71.4-34.4-175.4-70.4-168.4-14000112.8A79 R90 W152 R165 C166A79-E169 HydrophobicContact CB-CG 4.33Å; R90-E169 VanDerWaalsContact CD-OE2 3.25Å; R90-E169 WeakPolarHBondContact CD-OE2 3.3Å; R90-E169 IonicContact CZ-OE1 2.89Å; R90-E169 IonicContact CZ-OE2 2.85Å; R90-E169 IonicContact NE-OE2 3.55Å; R90-E169 IonicContact NH1-OE1 3.63Å; R90-E169 PolarHBondContact NH1-OE1 2.96Å; R90-E169 IonicContact NH1-OE2 3.25Å; R90-E169 PolarHBondContact NH1-OE2 3.16Å; W152-E169 HydrophobicContact CZ3-CB 4.4Å; R165-E169 HydrophobicContact CG-CG 4.37Å; R165-E169 WeakPolarHBondContact CG-OE1 3.3Å; R165-E169 IonicContact CZ-OE1 2.87Å; R165-E169 IonicContact NE-OE1 3.73Å; R165-E169 PolarHBondContact NE-OE1 3.5Å; R165-E169 IonicContact NH2-OE1 3.47Å; R165-E169 WeakPolarHBondContact O-CB 3.34Å; R165-E169 WeakPolarHBondContact O-CG 3.47Å; R165-E169 PolarHBondContact O-N 3.45Å; C166-E169 PolarHBondContact O-N 2.87Å
170M90.3Very high92.6Very high9 Ų937.7 Ų37.74%0.04419%0.186CC..Hα-helixtrans-102.73.4-176.2-59.8-167.764.300113.7I88 M91 F103 W152 C166 P172 Y173 I174I88-M170 HydrophobicContact CB-CE 4.31Å; I88-M170 HydrophobicContact CD1-CE 4.13Å; I88-M170 HydrophobicContact CG1-CE 3.79Å; I88-M170 HydrophobicContact CG2-CE 3.81Å; I88-M170 HydrophobicContact CG2-SD 4.12Å; M91-M170 HydrophobicContact SD-SD 4.46Å; F103-M170 HydrophobicContact CE1-CE 3.92Å; F103-M170 HydrophobicContact CE1-SD 3.6Å; F103-M170 HydrophobicContact CZ-SD 3.83Å; W152-M170 HydrophobicContact CZ3-CG 4.4Å; W152-M170 HydrophobicContact CZ3-SD 4.45Å; C166-M170 VanDerWaalsContact O-CB 3.25Å; C166-M170 WeakPolarHBondContact O-CB 3.3Å; C166-M170 PolarHBondContact O-N 3.27Å; M170-P172 VanDerWaalsContact C-CD 3.42Å; M170-P172 VanDerWaalsContact C-N 3.31Å; M170-Y173 HydrophobicContact CE-CD1 3.57Å; M170-Y173 HydrophobicContact CE-CE1 3.96Å; M170-Y173 HydrophobicContact CE-CG 4.2Å; M170-Y173 PolarHBondContact O-N 3.2Å; M170-Y173 VanDerWaalsContact O-N 3.12Å; M170-I174 HydrophobicContact CB-CD1 3.8Å; M170-I174 HydrophobicContact CB-CG1 4.09Å; M170-I174 WeakPolarHBondContact O-CB 3.43Å; M170-I174 VanDerWaalsContact O-CG1 3.28Å; M170-I174 WeakPolarHBondContact O-CG1 3.5Å; M170-I174 PolarHBondContact O-N 3.38Å
171E90.9Very high92.4Very high15 Ų1541.3 Ų41.37%0.0720%0.204CC..Hα-helixtrans-49.2-46.5179.6-155.4-170.8162.100113R66 I167 I174 R175 I191R66-E171 IonicContact CZ-OE2 3.19Å; R66-E171 IonicContact NH1-OE2 2.74Å; R66-E171 PolarHBondContact NH1-OE2 2.93Å; R66-E171 IonicContact NH2-OE2 2.76Å; R66-E171 PolarHBondContact NH2-OE2 3.11Å; I167-E171 WeakPolarHBondContact O-CA 3.42Å; I167-E171 VanDerWaalsContact O-CB 3.28Å; I167-E171 WeakPolarHBondContact O-CB 3.49Å; I167-E171 PolarHBondContact O-N 3.45Å; E171-I174 PolarHBondContact O-N 3.43Å; E171-R175 WeakPolarHBondContact O-CB 3.45Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.18Å; E171-R175 IonicContact OE1-CZ 3.2Å; E171-R175 IonicContact OE1-NE 2.85Å; E171-R175 PolarHBondContact OE1-NE 3.17Å; E171-R175 IonicContact OE1-NH2 2.71Å; E171-R175 PolarHBondContact OE1-NH2 2.79Å; E171-I191 HydrophobicContact CB-CD1 4.48Å; E171-I191 HydrophobicContact CG-CD1 3.54Å; E171-I191 HydrophobicContact CG-CG1 3.85Å
172P89.5Confident92.1Very high19 Ų1941.6 Ų41.612%0.12321%0.206CC..Hα-helixtrans-60.3-49.4178.8-22.234.8000112.1V81 M83 M170 I174 R175 T176V81-P172 HydrophobicContact CG1-CG 4.39Å; M83-P172 HydrophobicContact CE-CG 4.37Å; M83-P172 HydrophobicContact SD-CG 4.25Å; M170-P172 VanDerWaalsContact C-CD 3.42Å; M170-P172 VanDerWaalsContact C-N 3.31Å; P172-I174 PolarHBondContact O-N 3.01Å; P172-R175 PolarHBondContact O-N 3.34Å; P172-T176 PolarHBondContact O-N 2.85Å; P172-T176 VanDerWaalsContact O-N 3.16Å; P172-T176 PolarHBondContact O-OG1 3.22Å
173Y89.9Confident92Very high29 Ų2942.9 Ų42.911%0.11421%0.211CC..Hα-helixtrans-59.4-46.9177.7171.6-92.9000111.9M170 R175 T176 M177 Y178M170-Y173 HydrophobicContact CE-CD1 3.57Å; M170-Y173 HydrophobicContact CE-CE1 3.96Å; M170-Y173 HydrophobicContact CE-CG 4.2Å; M170-Y173 PolarHBondContact O-N 3.2Å; M170-Y173 VanDerWaalsContact O-N 3.12Å; Y173-R175 VanDerWaalsContact C-N 3.35Å; Y173-R175 PolarHBondContact O-N 2.93Å; Y173-T176 PolarHBondContact O-N 3.3Å; Y173-M177 HydrophobicContact CD1-CG 4.4Å; Y173-M177 HydrophobicContact CD2-CG 3.84Å; Y173-M177 HydrophobicContact CE1-CB 4.38Å; Y173-M177 HydrophobicContact CE1-CG 4.07Å; Y173-M177 HydrophobicContact CE2-CG 3.48Å; Y173-M177 VanDerWaalsContact CE2-CG 3.48Å; Y173-M177 HydrophobicContact CE2-SD 4.37Å; Y173-M177 HydrophobicContact CG-CG 4.29Å; Y173-M177 WeakPolarHBondContact O-CB 3.41Å; Y173-M177 WeakPolarHBondContact O-CG 3.3Å; Y173-M177 PolarHBondContact O-N 3.24Å; Y173-Y178 HydrophobicContact CE1-CE2 4.13Å
174I92.2Very high92.1Very high0 Ų045.3 Ų45.30%023%0.226CC..Hα-helixtrans-64.3-41.6-176.9-65.9167.4000110.4L107 L162 M170 E171 P172 T176 Y178 V182 I191 F193L107-I174 HydrophobicContact CD1-CD1 4.13Å; L107-I174 HydrophobicContact CD1-CG1 4.16Å; L107-I174 HydrophobicContact CD2-CG1 4.43Å; L162-I174 HydrophobicContact CD1-CD1 3.88Å; M170-I174 HydrophobicContact CB-CD1 3.8Å; M170-I174 HydrophobicContact CB-CG1 4.09Å; M170-I174 WeakPolarHBondContact O-CB 3.43Å; M170-I174 VanDerWaalsContact O-CG1 3.28Å; M170-I174 WeakPolarHBondContact O-CG1 3.5Å; M170-I174 PolarHBondContact O-N 3.38Å; E171-I174 PolarHBondContact O-N 3.43Å; P172-I174 PolarHBondContact O-N 3.01Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 2.93Å; I174-Y178 HydrophobicContact CG2-CD2 4.23Å; I174-Y178 WeakPolarHBondContact O-CB 3.39Å; I174-Y178 WeakPolarHBondContact O-CD2 3.38Å; I174-Y178 PolarHBondContact O-N 3.12Å; I174-V182 HydrophobicContact CG2-CG1 3.62Å; I174-I191 HydrophobicContact CB-CD1 3.93Å; I174-I191 HydrophobicContact CG2-CD1 3.67Å; I174-F193 HydrophobicContact CD1-CZ 4.23Å; I174-F193 HydrophobicContact CG2-CZ 4.17Å
175R91.6Very high92.2Very high77 Ų7744.2 Ų44.229%0.29122%0.219SC..Hα-helixtrans-62.3-41.3177.1-74.3179.2179.7-80.58.7112.2E171 P172 Y173 Q179 H189 I191E171-R175 WeakPolarHBondContact O-CB 3.45Å; E171-R175 WeakPolarHBondContact O-CG 3.34Å; E171-R175 PolarHBondContact O-N 3.18Å; E171-R175 IonicContact OE1-CZ 3.2Å; E171-R175 IonicContact OE1-NE 2.85Å; E171-R175 PolarHBondContact OE1-NE 3.17Å; E171-R175 IonicContact OE1-NH2 2.71Å; E171-R175 PolarHBondContact OE1-NH2 2.79Å; P172-R175 PolarHBondContact O-N 3.34Å; Y173-R175 VanDerWaalsContact C-N 3.35Å; Y173-R175 PolarHBondContact O-N 2.93Å; R175-Q179 VanDerWaalsContact O-CA 3.26Å; R175-Q179 WeakPolarHBondContact O-CA 3.46Å; R175-Q179 WeakPolarHBondContact O-CB 3.49Å; R175-Q179 PolarHBondContact O-N 3.11Å; R175-H189 PolarHBondContact NH2-O 3.16Å; R175-I191 HydrophobicContact CG-CD1 3.7Å; R175-I191 HydrophobicContact CG-CG1 4.01Å
176T90.4Very high92.4Very high68 Ų6846.3 Ų46.342%0.41723%0.23SC..Hα-helixtrans-71.3-46.9-179.7-59.20000111.5P172 Y173 I174P172-T176 PolarHBondContact O-N 2.85Å; P172-T176 VanDerWaalsContact O-N 3.16Å; P172-T176 PolarHBondContact O-OG1 3.22Å; Y173-T176 PolarHBondContact O-N 3.3Å; I174-T176 VanDerWaalsContact C-N 3.33Å; I174-T176 PolarHBondContact O-N 2.93Å
177M90.1Very high92.6Very high109 Ų10949.1 Ų49.154%0.53724%0.244SC..Hα-helixtrans-79.2-26-173-67-58.1-62.800113.9Y173Y173-M177 HydrophobicContact CD1-CG 4.4Å; Y173-M177 HydrophobicContact CD2-CG 3.84Å; Y173-M177 HydrophobicContact CE1-CB 4.38Å; Y173-M177 HydrophobicContact CE1-CG 4.07Å; Y173-M177 HydrophobicContact CE2-CG 3.48Å; Y173-M177 VanDerWaalsContact CE2-CG 3.48Å; Y173-M177 HydrophobicContact CE2-SD 4.37Å; Y173-M177 HydrophobicContact CG-CG 4.29Å; Y173-M177 WeakPolarHBondContact O-CB 3.41Å; Y173-M177 WeakPolarHBondContact O-CG 3.3Å; Y173-M177 PolarHBondContact O-N 3.24Å
178Y91.8Very high92.6Very high14 Ų1450.2 Ų50.26%0.05525%0.253CS..THydrogen-bonded Turntrans-125.628.7-173.3-56.7-88.6000112.7L107 D108 V111 Y173 I174 D180 Q181 V182L107-Y178 HydrophobicContact CD2-CD2 3.84Å; L107-Y178 HydrophobicContact CD2-CE1 4.09Å; L107-Y178 HydrophobicContact CD2-CE2 3.07Å; L107-Y178 VanDerWaalsContact CD2-OH 3.27Å; L107-Y178 WeakPolarHBondContact CD2-OH 3.2Å; D108-Y178 WeakPolarHBondContact OD1-CE1 3.46Å; D108-Y178 VanDerWaalsContact OD1-CZ 3.26Å; D108-Y178 PolarHBondContact OD1-OH 3.42Å; V111-Y178 HydrophobicContact CB-CD1 4.16Å; V111-Y178 HydrophobicContact CG1-CD1 3.79Å; V111-Y178 HydrophobicContact CG1-CG 4.04Å; V111-Y178 HydrophobicContact CG2-CD1 4.13Å; V111-Y178 HydrophobicContact CG2-CD2 4.46Å; V111-Y178 HydrophobicContact CG2-CE1 4.46Å; V111-Y178 HydrophobicContact CG2-CG 4.14Å; Y173-Y178 HydrophobicContact CE1-CE2 4.13Å; I174-Y178 HydrophobicContact CG2-CD2 4.23Å; I174-Y178 WeakPolarHBondContact O-CB 3.39Å; I174-Y178 WeakPolarHBondContact O-CD2 3.38Å; I174-Y178 PolarHBondContact O-N 3.12Å; Y178-D180 PolarHBondContact O-N 2.72Å; Y178-Q181 PolarHBondContact O-N 2.85Å; Y178-V182 WeakPolarHBondContact O-CG1 3.19Å; Y178-V182 WeakPolarHBondContact O-CG2 2.93Å; Y178-V182 PolarHBondContact O-N 3Å
179Q90.1Very high92.7Very high145 Ų14555.9 Ų55.968%0.67828%0.279SS*.THydrogen-bonded Turntrans-46.2-41.4-172-169.8-175.8-55.400114R175R175-Q179 VanDerWaalsContact O-CA 3.26Å; R175-Q179 WeakPolarHBondContact O-CA 3.46Å; R175-Q179 WeakPolarHBondContact O-CB 3.49Å; R175-Q179 PolarHBondContact O-N 3.11Å
180D90.5Very high92.8Very high155 Ų15557.4 Ų57.483%0.82929%0.288SS*.THydrogen-bonded Turntrans-87.1-10.2-176.4-59.7-41.3000114.3Y178Y178-D180 PolarHBondContact O-N 2.72Å
181Q92.3Very high93.1Very high101 Ų10157.1 Ų57.147%0.47229%0.286SS..THydrogen-bonded Turntrans-109.1-28.2-175-61.9-178.979.300112.4V111 S112 Y178 K183V111-Q181 HydrophobicContact CG1-CB 3.61Å; S112-Q181 PolarHBondContact OG-OE1 3.14Å; Y178-Q181 PolarHBondContact O-N 2.85Å; Q181-K183 PolarHBondContact O-N 3.4Å
182V92.9Very high93.3Very high24 Ų2456.5 Ų56.515%0.14528%0.284CS..  trans-68.5130.9-177.8-680000111.3V111 I174 Y178 I191V111-V182 HydrophobicContact CG1-CG1 4.38Å; I174-V182 HydrophobicContact CG2-CG1 3.62Å; Y178-V182 WeakPolarHBondContact O-CG1 3.19Å; Y178-V182 WeakPolarHBondContact O-CG2 2.93Å; Y178-V182 PolarHBondContact O-N 3Å; V182-I191 HydrophobicContact CB-CG2 4.31Å; V182-I191 HydrophobicContact CG1-CG2 4.45Å
183K94.6Very high93.6Very high34 Ų3455.9 Ų55.915%0.14828%0.279CS..EExtended strand (participates in β ladder)trans-81.8142171.5-52.1158.9-164.5156.10107.8S113 E114 Q181 I191 A192 K206S113-K183 PolarHBondContact O-NZ 3.32Å; E114-K183 VanDerWaalsContact C-NZ 3.35Å; E114-K183 PolarHBondContact O-NZ 3.17Å; Q181-K183 PolarHBondContact O-N 3.4Å; K183-I191 CarbonylContact O-C 3.58Å; K183-I191 WeakPolarHBondContact O-CA 3.2Å; K183-A192 HydrophobicContact CB-CB 4.44Å; K183-A192 WeakPolarHBondContact CB-O 3.49Å; K183-A192 PolarHBondContact O-N 3.37Å; K183-K206 HydrophobicContact CB-CB 4.34Å; K183-K206 HydrophobicContact CB-CD 4.35Å; K183-K206 HydrophobicContact CB-CG 4.04Å; K183-K206 HydrophobicContact CG-CG 4.33Å
184V96Very high93.8Very high57 Ų5757 Ų5735%0.34529%0.285SS..EExtended strand (participates in β ladder)trans-119.4129.9176.4179.40000108.7H186 H189V184-H186 PolarHBondContact O-N 3.33Å; V184-H189 WeakPolarHBondContact CG1-O 3.48Å
185C97.3Very high93.9Very high0 Ų058 Ų580%029%0.292CS..BIsolated β-bridgetrans-69.1128.2179.2177.80000111I187 C188 H189 N190 A192 K206 H208C185-I187 PolarHBondContact O-N 3.47Å; C185-C188 VanDerWaalsContact CB-SG 3.56Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C185-H189 WeakPolarHBondContact O-CA 3.5Å; C185-H189 PolarHBondContact O-N 3.29Å; C185-N190 PolarHBondContact N-O 3.35Å; C185-A192 HydrophobicContact CB-CB 4.31Å; C185-K206 CarbonylContact C-O 3.59Å; C185-K206 VanDerWaalsContact CA-O 3.29Å; C185-K206 WeakPolarHBondContact CA-O 3.29Å; C185-H208 VanDerWaalsContact CB-CE1 3.46Å; C185-H208 WeakPolarHBondContact CB-CE1 3.41Å; C185-H208 WeakPolarHBondContact CB-ND1 3.45Å; C185-H208 PolarHBondContact SG-N 3.49Å; C185-H208 VanDerWaalsContact SG-N 3.43Å; C185-H208 PolarHBondContact SG-ND1 2.83Å
186H97.9Very high94.1Very high72 Ų7255.6 Ų55.633%0.33328%0.284SS..THydrogen-bonded Turntrans-66.5-20.9-180-176.577.3000113.6V184 I205 K206 I207V184-H186 PolarHBondContact O-N 3.33Å; H186-I205 HydrophobicContact CB-CB 4.12Å; H186-I205 HydrophobicContact CB-CD1 4.13Å; H186-I205 HydrophobicContact CB-CG2 4.48Å; H186-K206 PolarHBondContact N-O 3.02Å; H186-I207 HydrophobicContact CB-CG1 4.24Å
187I97Very high94.4Very high59 Ų5954.9 Ų54.930%0.30328%0.277SS..THydrogen-bonded Turntrans-91.3-51.2-177.2-58.2-62.6000111.5C185 I207 C211 Y215 P225C185-I187 PolarHBondContact O-N 3.47Å; I187-I207 HydrophobicContact CB-CG2 4.48Å; I187-I207 HydrophobicContact CD1-CD1 4.45Å; I187-I207 HydrophobicContact CG1-CD1 4.17Å; I187-I207 HydrophobicContact CG1-CG1 4.33Å; I187-I207 HydrophobicContact CG1-CG2 3.68Å; I187-C211 HydrophobicContact CB-CB 4Å; I187-C211 HydrophobicContact CG1-CB 4.24Å; I187-C211 HydrophobicContact CG2-CB 4.27Å; I187-Y215 HydrophobicContact CD1-CD2 3.69Å; I187-Y215 HydrophobicContact CD1-CE2 4.05Å; I187-Y215 HydrophobicContact CD1-CG 4.11Å; I187-P225 HydrophobicContact CD1-CG 4.2Å
188C95.4Very high94.8Very high41 Ų4149.9 Ų49.928%0.27725%0.253SS..THydrogen-bonded Turntrans-102-9.1-174.7720000114C185 N190 H208C185-C188 VanDerWaalsContact CB-SG 3.56Å; C185-C188 VanDerWaalsContact SG-SG 3.63Å; C188-N190 PolarHBondContact O-N 2.87Å; C188-N190 VanDerWaalsContact O-N 3.11Å; C188-H208 PolarHBondContact SG-CE1 2.9Å; C188-H208 PolarHBondContact SG-ND1 3.21Å
189H94.8Very high95Very high127 Ų12755.4 Ų55.459%0.58828%0.279SS*.  trans629.8-179.2-52.687.3000115.4R175 V184 C185R175-H189 PolarHBondContact NH2-O 3.16Å; V184-H189 WeakPolarHBondContact CG1-O 3.48Å; C185-H189 WeakPolarHBondContact O-CA 3.5Å; C185-H189 PolarHBondContact O-N 3.29Å
190N93.9Very high95.3Very high51 Ų5150.3 Ų50.327%0.27326%0.257SS..SBendtrans-85.2159.4172-63.6-26.4000111.2C185 C188C185-N190 PolarHBondContact N-O 3.35Å; C188-N190 PolarHBondContact O-N 2.87Å; C188-N190 VanDerWaalsContact O-N 3.11Å
191I94.9Very high95.5Very high3 Ų349.3 Ų49.32%0.01526%0.259CS..EExtended strand (participates in β ladder)trans-55140.3172.1-54.8-179.9000109.3E171 I174 R175 V182 K183 F193 H208E171-I191 HydrophobicContact CB-CD1 4.48Å; E171-I191 HydrophobicContact CG-CD1 3.54Å; E171-I191 HydrophobicContact CG-CG1 3.85Å; I174-I191 HydrophobicContact CB-CD1 3.93Å; I174-I191 HydrophobicContact CG2-CD1 3.67Å; R175-I191 HydrophobicContact CG-CD1 3.7Å; R175-I191 HydrophobicContact CG-CG1 4.01Å; V182-I191 HydrophobicContact CB-CG2 4.31Å; V182-I191 HydrophobicContact CG1-CG2 4.45Å; K183-I191 CarbonylContact O-C 3.58Å; K183-I191 WeakPolarHBondContact O-CA 3.2Å; I191-F193 HydrophobicContact CG2-CD2 4.11Å; I191-F193 HydrophobicContact CG2-CE2 3.6Å; I191-F193 HydrophobicContact CG2-CZ 4Å; I191-H208 PolarHBondContact O-CE1 3.02Å; I191-H208 PolarHBondContact O-NE2 3.46Å
192A96Very high95.7Very high2 Ų249.7 Ų49.72%0.01727%0.273CS..EExtended strand (participates in β ladder)trans-123.6116.9177.500000111.5E71 K183 C185 C195 H208E71-A192 VanDerWaalsContact OE1-CA 3.3Å; E71-A192 WeakPolarHBondContact OE1-CA 3.31Å; K183-A192 HydrophobicContact CB-CB 4.44Å; K183-A192 WeakPolarHBondContact CB-O 3.49Å; K183-A192 PolarHBondContact O-N 3.37Å; C185-A192 HydrophobicContact CB-CB 4.31Å; A192-C195 HydrophobicContact CB-CB 4.01Å; A192-H208 WeakPolarHBondContact CA-NE2 3.41Å; A192-H208 VanDerWaalsContact CB-CD2 3.44Å; A192-H208 WeakPolarHBondContact CB-CD2 3.25Å; A192-H208 VanDerWaalsContact CB-NE2 3.3Å; A192-H208 WeakPolarHBondContact CB-NE2 3.43Å
193F95.4Very high95.9Very high6 Ų650.1 Ų50.13%0.02628%0.276CS..SBendtrans-90.6-46.5169.8-69.2-83.5000110.3E71 I110 V111 L162 I167 I174 I191E71-F193 PolarHBondContact OE1-N 3.03Å; E71-F193 WeakPolarHBondContact OE2-CB 3.48Å; E71-F193 PolarHBondContact OE2-N 3.01Å; E71-F193 VanDerWaalsContact OE2-N 3.17Å; I110-F193 HydrophobicContact CG2-CD1 3.63Å; I110-F193 HydrophobicContact CG2-CE1 3.94Å; I110-F193 HydrophobicContact CG2-CG 4.49Å; V111-F193 HydrophobicContact CG2-CE1 3.72Å; V111-F193 HydrophobicContact CG2-CZ 4.34Å; L162-F193 HydrophobicContact CD1-CD2 4.37Å; L162-F193 HydrophobicContact CD1-CE1 3.92Å; L162-F193 HydrophobicContact CD1-CE2 3.67Å; L162-F193 HydrophobicContact CD1-CZ 3.4Å; L162-F193 HydrophobicContact CG-CZ 4.38Å; I167-F193 HydrophobicContact CD1-CD2 3.89Å; I167-F193 HydrophobicContact CD1-CE2 4.35Å; I167-F193 HydrophobicContact CG1-CD2 4Å; I167-F193 HydrophobicContact CG1-CE2 3.94Å; I174-F193 HydrophobicContact CD1-CZ 4.23Å; I174-F193 HydrophobicContact CG2-CZ 4.17Å; I191-F193 HydrophobicContact CG2-CD2 4.11Å; I191-F193 HydrophobicContact CG2-CE2 3.6Å; I191-F193 HydrophobicContact CG2-CZ 4Å
194Q94.3Very high95.9Very high51 Ų5149.3 Ų49.324%0.23828%0.278CS..SBendtrans-105.9103.4178.2-58.3-174.1-28.800110.2E71E71-Q194 HydrophobicContact CB-CB 4.36Å; E71-Q194 WeakPolarHBondContact OE2-CB 3.44Å; E71-Q194 PolarHBondContact OE2-N 2.96Å
195C95.2Very high96Very high23 Ų2347.6 Ų47.616%0.15527%0.267CS..EExtended strand (participates in β ladder)trans-145.5157.3-177.760.40000112.7A192 K206 I207A192-C195 HydrophobicContact CB-CB 4.01Å; C195-K206 HydrophobicContact CB-CB 4.36Å; C195-I207 VanDerWaalsContact CA-O 3.3Å; C195-I207 WeakPolarHBondContact CA-O 3.5Å; C195-I207 VanDerWaalsContact CB-O 3.24Å; C195-I207 WeakPolarHBondContact CB-O 3.41Å
196Q95.9Very high96Very high26 Ų2651 Ų5112%0.12128%0.281CS..EExtended strand (participates in β ladder)trans-89.8144.6163.1-70.5176100109.6K206 I207 V212 W231 H233 E234Q196-K206 WeakPolarHBondContact O-CA 3.39Å; Q196-I207 PolarHBondContact N-O 3.07Å; Q196-I207 PolarHBondContact O-N 3.08Å; Q196-V212 HydrophobicContact CB-CG2 4.27Å; Q196-V212 VanDerWaalsContact OE1-CG1 3.29Å; Q196-W231 HydrophobicContact CB-CZ2 3.65Å; Q196-H233 VanDerWaalsContact CD-CB 3.4Å; Q196-H233 HydrophobicContact CG-CB 4.07Å; Q196-H233 VanDerWaalsContact OE1-CB 3.28Å; Q196-E234 PolarHBondContact NE2-O 3.3Å
197I96.4Very high96Very high52 Ų5247.6 Ų47.627%0.26727%0.266SS..EExtended strand (participates in β ladder)trans-116.9132.4-177-50.2-174.5000108.8E199 I205 K206 H233I197-E199 PolarHBondContact O-N 3.44Å; I197-I205 CarbonylContact C-O 3.49Å; I197-I205 WeakPolarHBondContact CA-O 3.37Å; I197-K206 HydrophobicContact CD1-CG 4.23Å; I197-K206 HydrophobicContact CG1-CG 3.96Å; I197-K206 HydrophobicContact CG2-CG 4.37Å; I197-H233 PolarHBondContact O-NE2 3.32Å
198C97.4Very high96Very high5 Ų545 Ų453%0.03425%0.253CS..  trans-60.7126.8172.6-177.20000110.2N200 G204 I205 C224 W231C198-N200 VanDerWaalsContact C-N 3.28Å; C198-N200 PolarHBondContact O-N 2.95Å; C198-G204 WeakPolarHBondContact O-CA 3.46Å; C198-I205 HydrophobicContact CB-CG1 3.79Å; C198-I205 PolarHBondContact N-O 3.46Å; C198-C224 VanDerWaalsContact SG-SG 3.6Å; C198-W231 HydrophobicContact CB-CH2 4.42Å; C198-W231 HydrophobicContact CB-CZ3 3.83Å
199E96.2Very high96Very high129 Ų12945.3 Ų45.360%0.60325%0.251SS*.  trans-78.4-9.4-177.2-65.7-176.5177.500113.6I197 P201 P232 H233I197-E199 PolarHBondContact O-N 3.44Å; E199-P201 WeakPolarHBondContact O-CD 3.28Å; E199-P201 VanDerWaalsContact O-N 3.17Å; E199-P232 HydrophobicContact CB-CG 4.15Å; E199-P232 HydrophobicContact CG-CG 3.69Å; E199-P232 WeakPolarHBondContact OE2-CG 3.4Å; E199-H233 IonicContact OE1-CE1 3.28Å; E199-H233 PolarHBondContact OE1-CE1 3.33Å; E199-H233 VanDerWaalsContact OE1-CE1 3.28Å; E199-H233 IonicContact OE1-NE2 3.94Å
200N96.6Very high96.1Very high38 Ų3839.3 Ų39.320%0.20322%0.223CC..  trans-63.2118.7172177.2-18.3000108.9C198 S202 C203 G204 D229C198-N200 VanDerWaalsContact C-N 3.28Å; C198-N200 PolarHBondContact O-N 2.95Å; N200-S202 PolarHBondContact ND2-OG 3.03Å; N200-S202 PolarHBondContact O-N 2.96Å; N200-S202 VanDerWaalsContact O-N 3.12Å; N200-S202 WeakPolarHBondContact OD1-CB 3.46Å; N200-S202 PolarHBondContact OD1-N 3.2Å; N200-S202 PolarHBondContact OD1-OG 2.87Å; N200-C203 HydrophobicContact CB-CB 3.93Å; N200-C203 PolarHBondContact O-N 3.15Å; N200-G204 PolarHBondContact O-N 3.35Å; N200-G204 VanDerWaalsContact O-N 3.14Å; N200-D229 WeakPolarHBondContact CB-OD2 3.28Å; N200-D229 PolarHBondContact ND2-OD2 3.37Å
201P94.8Very high96.2Very high134 Ų13437.1 Ų37.187%0.8721%0.212SC*.THydrogen-bonded Turntrans-60.4-24.6-177-24.735.1000114.5E199E199-P201 WeakPolarHBondContact O-CD 3.28Å; E199-P201 VanDerWaalsContact O-N 3.17Å
202S96.6Very high96.3Very high109 Ų10937 Ų3776%0.76221%0.211SC*.THydrogen-bonded Turntrans-86.1-6.6176.766.60000113.9N200N200-S202 PolarHBondContact ND2-OG 3.03Å; N200-S202 PolarHBondContact O-N 2.96Å; N200-S202 VanDerWaalsContact O-N 3.12Å; N200-S202 WeakPolarHBondContact OD1-CB 3.46Å; N200-S202 PolarHBondContact OD1-N 3.2Å; N200-S202 PolarHBondContact OD1-OG 2.87Å
203C97.2Very high96.2Very high33 Ų3337.2 Ų37.222%0.22321%0.213CC..THydrogen-bonded Turntrans-113.6-70.6-175.1-177.30000112N200 I205 C224 C227N200-C203 HydrophobicContact CB-CB 3.93Å; N200-C203 PolarHBondContact O-N 3.15Å; C203-I205 PolarHBondContact O-N 2.92Å; C203-I205 VanDerWaalsContact O-N 3.08Å; C203-C224 VanDerWaalsContact SG-SG 3.65Å; C203-C227 HydrophobicContact CB-CB 3.93Å; C203-C227 VanDerWaalsContact SG-SG 3.63Å
204G95.6Very high96.2Very high18 Ų1841.6 Ų41.619%0.18623%0.23CC..  trans5724.9176.300000115.7C198 N200 K206C198-G204 WeakPolarHBondContact O-CA 3.46Å; N200-G204 PolarHBondContact O-N 3.35Å; N200-G204 VanDerWaalsContact O-N 3.14Å; G204-K206 VanDerWaalsContact O-CD 3.3Å; G204-K206 WeakPolarHBondContact O-CD 3.37Å; G204-K206 WeakPolarHBondContact O-CE 3.18Å; G204-K206 PolarHBondContact O-NZ 3.4Å
205I97.4Very high96.2Very high21 Ų2142.7 Ų42.711%0.10823%0.232CC..  trans-62.9149.5174.663.3163000110.6H186 I197 C198 C203 I207 C224 P225 A226 W231H186-I205 HydrophobicContact CB-CB 4.12Å; H186-I205 HydrophobicContact CB-CD1 4.13Å; H186-I205 HydrophobicContact CB-CG2 4.48Å; I197-I205 CarbonylContact C-O 3.49Å; I197-I205 WeakPolarHBondContact CA-O 3.37Å; C198-I205 HydrophobicContact CB-CG1 3.79Å; C198-I205 PolarHBondContact N-O 3.46Å; C203-I205 PolarHBondContact O-N 2.92Å; C203-I205 VanDerWaalsContact O-N 3.08Å; I205-I207 HydrophobicContact CD1-CD1 3.86Å; I205-I207 HydrophobicContact CD1-CG1 4.15Å; I205-C224 WeakPolarHBondContact CD1-SG 3.47Å; I205-P225 HydrophobicContact CD1-CG 3.56Å; I205-A226 HydrophobicContact CD1-CB 3.96Å; I205-A226 HydrophobicContact CG1-CB 4.46Å; I205-A226 HydrophobicContact CG2-CB 3.64Å; I205-W231 HydrophobicContact CD1-CZ3 4.28Å; I205-W231 HydrophobicContact CG1-CZ3 4.28Å
206K97.1Very high96.3Very high71 Ų7141.7 Ų41.731%0.30923%0.225SC..EExtended strand (participates in β ladder)trans-111.3136.6179-61.791.2-179160.70108.6K183 C185 H186 C195 Q196 I197 G204K183-K206 HydrophobicContact CB-CB 4.34Å; K183-K206 HydrophobicContact CB-CD 4.35Å; K183-K206 HydrophobicContact CB-CG 4.04Å; K183-K206 HydrophobicContact CG-CG 4.33Å; C185-K206 CarbonylContact C-O 3.59Å; C185-K206 VanDerWaalsContact CA-O 3.29Å; C185-K206 WeakPolarHBondContact CA-O 3.29Å; H186-K206 PolarHBondContact N-O 3.02Å; C195-K206 HydrophobicContact CB-CB 4.36Å; Q196-K206 WeakPolarHBondContact O-CA 3.39Å; I197-K206 HydrophobicContact CD1-CG 4.23Å; I197-K206 HydrophobicContact CG1-CG 3.96Å; I197-K206 HydrophobicContact CG2-CG 4.37Å; G204-K206 VanDerWaalsContact O-CD 3.3Å; G204-K206 WeakPolarHBondContact O-CD 3.37Å; G204-K206 WeakPolarHBondContact O-CE 3.18Å; G204-K206 PolarHBondContact O-NZ 3.4Å
207I97.6Very high96.1Very high0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-135.7126.4176.8-52.7-179.9000108.4H186 I187 C195 Q196 I205 C211 V212 P225 W231H186-I207 HydrophobicContact CB-CG1 4.24Å; I187-I207 HydrophobicContact CB-CG2 4.48Å; I187-I207 HydrophobicContact CD1-CD1 4.45Å; I187-I207 HydrophobicContact CG1-CD1 4.17Å; I187-I207 HydrophobicContact CG1-CG1 4.33Å; I187-I207 HydrophobicContact CG1-CG2 3.68Å; C195-I207 VanDerWaalsContact CA-O 3.3Å; C195-I207 WeakPolarHBondContact CA-O 3.5Å; C195-I207 VanDerWaalsContact CB-O 3.24Å; C195-I207 WeakPolarHBondContact CB-O 3.41Å; Q196-I207 PolarHBondContact N-O 3.07Å; Q196-I207 PolarHBondContact O-N 3.08Å; I205-I207 HydrophobicContact CD1-CD1 3.86Å; I205-I207 HydrophobicContact CD1-CG1 4.15Å; I207-C211 HydrophobicContact CG2-CB 3.44Å; I207-C211 VanDerWaalsContact CG2-CB 3.44Å; I207-V212 HydrophobicContact CB-CG2 3.67Å; I207-V212 HydrophobicContact CG2-CB 4.44Å; I207-V212 HydrophobicContact CG2-CG2 3.52Å; I207-P225 HydrophobicContact CD1-CG 3.77Å; I207-W231 HydrophobicContact CB-CH2 4.35Å; I207-W231 HydrophobicContact CB-CZ2 4.48Å; I207-W231 HydrophobicContact CD1-CH2 3.67Å; I207-W231 HydrophobicContact CD1-CZ2 4.25Å; I207-W231 HydrophobicContact CD1-CZ3 4.03Å; I207-W231 HydrophobicContact CG1-CH2 3.94Å
208H97.1Very high95.8Very high6 Ų648.3 Ų48.33%0.02827%0.274CS..EExtended strand (participates in β ladder)trans-52.4146173.3-68.2120.7000111.4M69 E71 C185 C188 I191 A192 P210 C211 V212M69-H208 HydrophobicContact CE-CB 3.97Å; E71-H208 IonicContact OE1-CD2 3.9Å; E71-H208 PolarHBondContact OE1-CD2 2.96Å; E71-H208 VanDerWaalsContact OE1-CD2 3.25Å; E71-H208 IonicContact OE1-NE2 3.32Å; E71-H208 PolarHBondContact OE1-NE2 3.36Å; C185-H208 VanDerWaalsContact CB-CE1 3.46Å; C185-H208 WeakPolarHBondContact CB-CE1 3.41Å; C185-H208 WeakPolarHBondContact CB-ND1 3.45Å; C185-H208 PolarHBondContact SG-N 3.49Å; C185-H208 VanDerWaalsContact SG-N 3.43Å; C185-H208 PolarHBondContact SG-ND1 2.83Å; C188-H208 PolarHBondContact SG-CE1 2.9Å; C188-H208 PolarHBondContact SG-ND1 3.21Å; I191-H208 PolarHBondContact O-CE1 3.02Å; I191-H208 PolarHBondContact O-NE2 3.46Å; A192-H208 WeakPolarHBondContact CA-NE2 3.41Å; A192-H208 VanDerWaalsContact CB-CD2 3.44Å; A192-H208 WeakPolarHBondContact CB-CD2 3.25Å; A192-H208 VanDerWaalsContact CB-NE2 3.3Å; A192-H208 WeakPolarHBondContact CB-NE2 3.43Å; H208-P210 VanDerWaalsContact C-N 3.33Å; H208-C211 HydrophobicContact CB-CB 4.02Å; H208-C211 CarbonylContact O-C 3.49Å; H208-C211 WeakPolarHBondContact O-CA 3.45Å; H208-C211 WeakPolarHBondContact O-CB 3.37Å; H208-C211 PolarHBondContact O-N 3.32Å; H208-V212 WeakPolarHBondContact O-CG2 3.4Å; H208-V212 PolarHBondContact O-N 3.48Å
209N95.7Very high95.5Very high47 Ų4753.6 Ų53.625%0.25129%0.294SS..Hα-helixtrans-52.9-44.2176.9-66.8-29.2000112.9C211 V212 A213 P236N209-C211 VanDerWaalsContact C-N 3.35Å; N209-C211 PolarHBondContact O-N 3.37Å; N209-V212 PolarHBondContact O-N 2.98Å; N209-A213 WeakPolarHBondContact O-CB 3.04Å; N209-A213 PolarHBondContact O-N 3.28Å; N209-P236 HydrophobicContact CB-CB 4.39Å; N209-P236 HydrophobicContact CB-CG 3.95Å
210P96.1Very high95.1Very high0 Ų054.7 Ų54.70%031%0.309CS..Hα-helixtrans-68.9-27.1174-22.434.7000115.6M69 E71 H208 R214 V238M69-P210 HydrophobicContact CE-CB 3.88Å; M69-P210 HydrophobicContact CE-CG 4.16Å; M69-P210 HydrophobicContact SD-CB 3.89Å; E71-P210 WeakPolarHBondContact O-CD 3.47Å; E71-P210 WeakPolarHBondContact O-CG 3.35Å; H208-P210 VanDerWaalsContact C-N 3.33Å; P210-R214 WeakPolarHBondContact O-CB 3.27Å; P210-R214 VanDerWaalsContact O-CG 3.27Å; P210-R214 WeakPolarHBondContact O-CG 3.06Å; P210-R214 PolarHBondContact O-N 2.92Å; P210-R214 VanDerWaalsContact O-N 3.11Å; P210-V238 HydrophobicContact CB-CG2 4.02Å; P210-V238 HydrophobicContact CG-CG2 4.24Å
211C96.8Very high95Very high6 Ų658 Ų584%0.04132%0.323CS..Hα-helixtrans-71.6-41.4173.6-750000111I187 I207 H208 N209 R214 Y215I187-C211 HydrophobicContact CB-CB 4Å; I187-C211 HydrophobicContact CG1-CB 4.24Å; I187-C211 HydrophobicContact CG2-CB 4.27Å; I207-C211 HydrophobicContact CG2-CB 3.44Å; I207-C211 VanDerWaalsContact CG2-CB 3.44Å; H208-C211 HydrophobicContact CB-CB 4.02Å; H208-C211 CarbonylContact O-C 3.49Å; H208-C211 WeakPolarHBondContact O-CA 3.45Å; H208-C211 WeakPolarHBondContact O-CB 3.37Å; H208-C211 PolarHBondContact O-N 3.32Å; N209-C211 VanDerWaalsContact C-N 3.35Å; N209-C211 PolarHBondContact O-N 3.37Å; C211-R214 PolarHBondContact O-N 3.36Å; C211-Y215 WeakPolarHBondContact O-CB 3.26Å; C211-Y215 PolarHBondContact O-N 3.28Å
212V96.5Very high95Very high0 Ų052.3 Ų52.30%029%0.286CS..Hα-helixtrans-56.7-53.4171.9172.50000109.8Q196 I207 H208 N209 R214 Y215 F216 W231 I235Q196-V212 HydrophobicContact CB-CG2 4.27Å; Q196-V212 VanDerWaalsContact OE1-CG1 3.29Å; I207-V212 HydrophobicContact CB-CG2 3.67Å; I207-V212 HydrophobicContact CG2-CB 4.44Å; I207-V212 HydrophobicContact CG2-CG2 3.52Å; H208-V212 WeakPolarHBondContact O-CG2 3.4Å; H208-V212 PolarHBondContact O-N 3.48Å; N209-V212 PolarHBondContact O-N 2.98Å; V212-R214 VanDerWaalsContact C-N 3.27Å; V212-R214 PolarHBondContact O-N 2.76Å; V212-Y215 PolarHBondContact O-N 2.9Å; V212-F216 HydrophobicContact CB-CD2 4.32Å; V212-F216 HydrophobicContact CG1-CD2 3.6Å; V212-F216 HydrophobicContact CG1-CE2 4.06Å; V212-F216 WeakPolarHBondContact O-CD2 3.46Å; V212-F216 PolarHBondContact O-N 3.33Å; V212-W231 HydrophobicContact CG2-CZ2 4.03Å; V212-I235 HydrophobicContact CG1-CD1 3.78Å; V212-I235 HydrophobicContact CG1-CG2 4.37Å
213A95Very high95.1Very high7 Ų751.2 Ų51.26%0.05827%0.265CS..Hα-helixtrans-54.8-41.6179.800000113N209 K217 P236 V238N209-A213 WeakPolarHBondContact O-CB 3.04Å; N209-A213 PolarHBondContact O-N 3.28Å; A213-K217 WeakPolarHBondContact O-CB 3.34Å; A213-K217 PolarHBondContact O-N 2.98Å; A213-P236 WeakPolarHBondContact CB-O 3.34Å; A213-V238 HydrophobicContact CB-CB 4.2Å; A213-V238 HydrophobicContact CB-CG2 3.62Å
214R94.4Very high95.1Very high97 Ų9749.7 Ų49.737%0.36626%0.255SS..Hα-helixtrans-72.5-45.3177.4-75.1173.6173.1150.910.4112.5M69 G74 P210 C211 V212 K217 L241M69-R214 PolarHBondContact SD-NH1 2.74Å; G74-R214 PolarHBondContact O-NH2 3.45Å; P210-R214 WeakPolarHBondContact O-CB 3.27Å; P210-R214 VanDerWaalsContact O-CG 3.27Å; P210-R214 WeakPolarHBondContact O-CG 3.06Å; P210-R214 PolarHBondContact O-N 2.92Å; P210-R214 VanDerWaalsContact O-N 3.11Å; C211-R214 PolarHBondContact O-N 3.36Å; V212-R214 VanDerWaalsContact C-N 3.27Å; V212-R214 PolarHBondContact O-N 2.76Å; R214-K217 WeakPolarHBondContact O-CB 3.47Å; R214-L241 HydrophobicContact CG-CD1 3.8Å; R214-L241 HydrophobicContact CG-CD2 3.8Å; R214-L241 HydrophobicContact CG-CG 4.49Å; R214-L241 VanDerWaalsContact NH2-CD2 3.27Å
215Y95.6Very high95.2Very high74 Ų7450.8 Ų50.829%0.2926%0.258SS..Hα-helixtrans-71.1-38.9-172.4-176.2-94.7000112.5I187 C211 V212 R219 P225I187-Y215 HydrophobicContact CD1-CD2 3.69Å; I187-Y215 HydrophobicContact CD1-CE2 4.05Å; I187-Y215 HydrophobicContact CD1-CG 4.11Å; C211-Y215 WeakPolarHBondContact O-CB 3.26Å; C211-Y215 PolarHBondContact O-N 3.28Å; V212-Y215 PolarHBondContact O-N 2.9Å; Y215-R219 VanDerWaalsContact CZ-NH2 3.34Å; Y215-R219 PolarHBondContact O-NE 2.88Å; Y215-R219 VanDerWaalsContact O-NE 3.16Å; Y215-R219 PolarHBondContact O-NH2 3.28Å; Y215-P225 HydrophobicContact CE1-CB 4.09Å; Y215-P225 HydrophobicContact CE1-CG 4.34Å; Y215-P225 HydrophobicContact CE2-CB 4.38Å
216F95.7Very high95.2Very high3 Ų352.4 Ų52.41%0.01328%0.275CS..SBendtrans-94.24.5-179.8-63.5-59.3000114.1V212 G218 R219 P222 R223 W231 I235V212-F216 HydrophobicContact CB-CD2 4.32Å; V212-F216 HydrophobicContact CG1-CD2 3.6Å; V212-F216 HydrophobicContact CG1-CE2 4.06Å; V212-F216 WeakPolarHBondContact O-CD2 3.46Å; V212-F216 PolarHBondContact O-N 3.33Å; F216-G218 PolarHBondContact O-N 3.15Å; F216-G218 VanDerWaalsContact O-N 3.12Å; F216-R219 WeakPolarHBondContact O-CB 3.28Å; F216-R219 PolarHBondContact O-N 3.29Å; F216-P222 HydrophobicContact CB-CB 4.4Å; F216-P222 HydrophobicContact CB-CG 4.48Å; F216-P222 HydrophobicContact CD1-CB 3.61Å; F216-P222 HydrophobicContact CD1-CG 4.44Å; F216-P222 HydrophobicContact CE1-CB 3.91Å; F216-P222 HydrophobicContact CG-CB 3.94Å; F216-P222 HydrophobicContact CZ-CB 4.45Å; F216-R223 WeakPolarHBondContact CE1-O 3.36Å; F216-R223 WeakPolarHBondContact CZ-O 3.29Å; F216-W231 HydrophobicContact CE2-CB 4.44Å; F216-W231 AromaticContact CE2-CD1 3.97Å; F216-W231 AromaticContact CE2-CD2 3.82Å; F216-W231 HydrophobicContact CE2-CD2 3.82Å; F216-W231 AromaticContact CE2-CE2 3.95Å; F216-W231 HydrophobicContact CE2-CE3 4.38Å; F216-W231 AromaticContact CE2-CG 3.83Å; F216-W231 HydrophobicContact CE2-CG 3.83Å; F216-W231 HydrophobicContact CZ-CB 4.15Å; F216-W231 AromaticContact CZ-CD2 3.95Å; F216-W231 HydrophobicContact CZ-CD2 3.95Å; F216-W231 HydrophobicContact CZ-CE3 4.18Å; F216-W231 AromaticContact CZ-CG 3.95Å; F216-W231 HydrophobicContact CZ-CG 3.95Å; F216-I235 HydrophobicContact CB-CD1 3.81Å; F216-I235 HydrophobicContact CB-CG1 4.13Å; F216-I235 HydrophobicContact CB-CG2 4.05Å; F216-I235 HydrophobicContact CD2-CD1 3.61Å; F216-I235 HydrophobicContact CE2-CD1 4.39Å; F216-I235 HydrophobicContact CG-CD1 3.87Å
217K92.6Very high95.2Very high137 Ų13751 Ų5160%0.59627%0.273SS*.THydrogen-bonded Turntrans-53120.8-179.9-170.1176.2-179178.40111.3A213 R214 R219A213-K217 WeakPolarHBondContact O-CB 3.34Å; A213-K217 PolarHBondContact O-N 2.98Å; R214-K217 WeakPolarHBondContact O-CB 3.47Å; K217-R219 PolarHBondContact O-N 3.38Å
218G88.9Confident95.2Very high80 Ų8056 Ų5683%0.82530%0.3SS*.THydrogen-bonded Turntrans74.17.2177.600000115.1F216F216-G218 PolarHBondContact O-N 3.15Å; F216-G218 VanDerWaalsContact O-N 3.12Å
219R91.2Very high95.2Very high116 Ų11659 Ų5944%0.43832%0.317SS..  trans-86129.1173.4-57.3-161-163-163.32.3110Y215 F216 K217Y215-R219 VanDerWaalsContact CZ-NH2 3.34Å; Y215-R219 PolarHBondContact O-NE 2.88Å; Y215-R219 VanDerWaalsContact O-NE 3.16Å; Y215-R219 PolarHBondContact O-NH2 3.28Å; F216-R219 WeakPolarHBondContact O-CB 3.28Å; F216-R219 PolarHBondContact O-N 3.29Å; K217-R219 PolarHBondContact O-N 3.38Å
220V88.9Confident95.3Very high151 Ų15162.4 Ų62.492%0.91533%0.33SS*.SBendtrans-77.1-33177.4-176.90000111.3P222V220-P222 WeakPolarHBondContact O-CD 3.31Å
221E93.9Very high95.3Very high109 Ų10962.6 Ų62.651%0.50933%0.33SS..SBendtrans-125.786.7178.9-165-178.9165.900109.6R223 F230E221-R223 PolarHBondContact O-N 3.1Å; E221-R223 IonicContact OE1-CZ 3.47Å; E221-R223 IonicContact OE1-NE 3.57Å; E221-R223 IonicContact OE1-NH2 2.69Å; E221-R223 PolarHBondContact OE1-NH2 3.46Å; E221-F230 HydrophobicContact CG-CD2 4.17Å; E221-F230 HydrophobicContact CG-CE2 4.38Å
222P95.9Very high95.1Very high13 Ų1364.8 Ų64.88%0.08435%0.345CS..  trans-59.3127.9176.5-28.839.6000112.2F216 V220 W231 I235F216-P222 HydrophobicContact CB-CB 4.4Å; F216-P222 HydrophobicContact CB-CG 4.48Å; F216-P222 HydrophobicContact CD1-CB 3.61Å; F216-P222 HydrophobicContact CD1-CG 4.44Å; F216-P222 HydrophobicContact CE1-CB 3.91Å; F216-P222 HydrophobicContact CG-CB 3.94Å; F216-P222 HydrophobicContact CZ-CB 4.45Å; V220-P222 WeakPolarHBondContact O-CD 3.31Å; P222-W231 HydrophobicContact CB-CB 3.8Å; P222-W231 PolarHBondContact O-N 2.82Å; P222-I235 HydrophobicContact CB-CD1 4.02Å; P222-I235 HydrophobicContact CG-CD1 3.94Å; P222-I235 HydrophobicContact CG-CG1 3.9Å
223R96.9Very high95Very high86 Ų8667.2 Ų67.233%0.32536%0.356SS..BIsolated β-bridgetrans-127.4137.2178.5-72.7-179.7175.6-89.6-3.2112.4F216 E221 D228 D229F216-R223 WeakPolarHBondContact CE1-O 3.36Å; F216-R223 WeakPolarHBondContact CZ-O 3.29Å; E221-R223 PolarHBondContact O-N 3.1Å; E221-R223 IonicContact OE1-CZ 3.47Å; E221-R223 IonicContact OE1-NE 3.57Å; E221-R223 IonicContact OE1-NH2 2.69Å; E221-R223 PolarHBondContact OE1-NH2 3.46Å; R223-D228 WeakPolarHBondContact CD-O 3.49Å; R223-D228 WeakPolarHBondContact CD-OD1 3.48Å; R223-D228 PolarHBondContact NH1-O 2.96Å; R223-D229 CarbonylContact C-O 3.52Å; R223-D229 VanDerWaalsContact CA-O 3.27Å; R223-D229 WeakPolarHBondContact CA-O 3.46Å
224C97.9Very high94.9Very high2 Ų275.2 Ų75.21%0.01439%0.392CS..  trans-54.5125.8-178.7-179.90000111.1C198 C203 I205 A226 D228 D229 W231C198-C224 VanDerWaalsContact SG-SG 3.6Å; C203-C224 VanDerWaalsContact SG-SG 3.65Å; I205-C224 WeakPolarHBondContact CD1-SG 3.47Å; C224-A226 PolarHBondContact O-N 2.92Å; C224-A226 VanDerWaalsContact O-N 3.08Å; C224-D228 VanDerWaalsContact O-CA 3.27Å; C224-D228 WeakPolarHBondContact O-CA 3.46Å; C224-D228 PolarHBondContact O-N 3.37Å; C224-D229 PolarHBondContact N-O 3.3Å; C224-W231 HydrophobicContact CB-CE3 4.04Å; C224-W231 HydrophobicContact CB-CZ3 4.32Å
225P97.4Very high94.9Very high40 Ų4072.8 Ų72.826%0.2639%0.386SS..THydrogen-bonded Turntrans-63.3-15.8-179.323.4-34.8000114.8I187 I205 I207 Y215I187-P225 HydrophobicContact CD1-CG 4.2Å; I205-P225 HydrophobicContact CD1-CG 3.56Å; I207-P225 HydrophobicContact CD1-CG 3.77Å; Y215-P225 HydrophobicContact CE1-CB 4.09Å; Y215-P225 HydrophobicContact CE1-CG 4.34Å; Y215-P225 HydrophobicContact CE2-CB 4.38Å
226A97.8Very high94.7Very high55 Ų5571 Ų7146%0.45538%0.383SS..THydrogen-bonded Turntrans-102.4-39.8-177.300000113.9I205 C224I205-A226 HydrophobicContact CD1-CB 3.96Å; I205-A226 HydrophobicContact CG1-CB 4.46Å; I205-A226 HydrophobicContact CG2-CB 3.64Å; C224-A226 PolarHBondContact O-N 2.92Å; C224-A226 VanDerWaalsContact O-N 3.08Å
227C97.8Very high94.1Very high41 Ų4179.3 Ų79.328%0.27742%0.422SS..THydrogen-bonded Turntrans-118.5-1.3-176.469.30000114.7C203 D229C203-C227 HydrophobicContact CB-CB 3.93Å; C203-C227 VanDerWaalsContact SG-SG 3.63Å; C227-D229 PolarHBondContact O-N 3.49Å
228D97.1Very high93.2Very high105 Ų10573.8 Ų73.856%0.56140%0.4SS*.  trans61.35-179.7-158.742.8000116.3R223 C224R223-D228 WeakPolarHBondContact CD-O 3.49Å; R223-D228 WeakPolarHBondContact CD-OD1 3.48Å; R223-D228 PolarHBondContact NH1-O 2.96Å; C224-D228 VanDerWaalsContact O-CA 3.27Å; C224-D228 WeakPolarHBondContact O-CA 3.46Å; C224-D228 PolarHBondContact O-N 3.37Å
229D97.5Very high91.7Very high70 Ų7080.6 Ų80.637%0.37440%0.4SS..  trans-66.3156.3171.6-75.8-27.2000112.5N200 R223 C224 C227 W231N200-D229 WeakPolarHBondContact CB-OD2 3.28Å; N200-D229 PolarHBondContact ND2-OD2 3.37Å; R223-D229 CarbonylContact C-O 3.52Å; R223-D229 VanDerWaalsContact CA-O 3.27Å; R223-D229 WeakPolarHBondContact CA-O 3.46Å; C224-D229 PolarHBondContact N-O 3.3Å; C227-D229 PolarHBondContact O-N 3.49Å; D229-W231 PolarHBondContact O-N 2.95Å
230F96.4Very high89.9Confident119 Ų11977.4 Ų77.452%0.52240%0.404SS..BIsolated β-bridgetrans-54.7133.1173.6-179.1-105.5000111E221 P232E221-F230 HydrophobicContact CG-CD2 4.17Å; E221-F230 HydrophobicContact CG-CE2 4.38Å; F230-P232 VanDerWaalsContact O-CD 3.3Å; F230-P232 WeakPolarHBondContact O-CD 3.39Å
231W97.3Very high88Confident3 Ų372.4 Ų72.41%0.01137%0.372CS..  trans-85109176.1-167.1-95.9000109.1Q196 C198 I205 I207 V212 F216 P222 C224 D229 H233Q196-W231 HydrophobicContact CB-CZ2 3.65Å; C198-W231 HydrophobicContact CB-CH2 4.42Å; C198-W231 HydrophobicContact CB-CZ3 3.83Å; I205-W231 HydrophobicContact CD1-CZ3 4.28Å; I205-W231 HydrophobicContact CG1-CZ3 4.28Å; I207-W231 HydrophobicContact CB-CH2 4.35Å; I207-W231 HydrophobicContact CB-CZ2 4.48Å; I207-W231 HydrophobicContact CD1-CH2 3.67Å; I207-W231 HydrophobicContact CD1-CZ2 4.25Å; I207-W231 HydrophobicContact CD1-CZ3 4.03Å; I207-W231 HydrophobicContact CG1-CH2 3.94Å; V212-W231 HydrophobicContact CG2-CZ2 4.03Å; F216-W231 HydrophobicContact CE2-CB 4.44Å; F216-W231 AromaticContact CE2-CD1 3.97Å; F216-W231 AromaticContact CE2-CD2 3.82Å; F216-W231 HydrophobicContact CE2-CD2 3.82Å; F216-W231 AromaticContact CE2-CE2 3.95Å; F216-W231 HydrophobicContact CE2-CE3 4.38Å; F216-W231 AromaticContact CE2-CG 3.83Å; F216-W231 HydrophobicContact CE2-CG 3.83Å; F216-W231 HydrophobicContact CZ-CB 4.15Å; F216-W231 AromaticContact CZ-CD2 3.95Å; F216-W231 HydrophobicContact CZ-CD2 3.95Å; F216-W231 HydrophobicContact CZ-CE3 4.18Å; F216-W231 AromaticContact CZ-CG 3.95Å; F216-W231 HydrophobicContact CZ-CG 3.95Å; P222-W231 HydrophobicContact CB-CB 3.8Å; P222-W231 PolarHBondContact O-N 2.82Å; C224-W231 HydrophobicContact CB-CE3 4.04Å; C224-W231 HydrophobicContact CB-CZ3 4.32Å; D229-W231 PolarHBondContact O-N 2.95Å; W231-H233 VanDerWaalsContact C-N 3.28Å; W231-H233 AromaticContact CE2-CD2 3.88Å; W231-H233 AromaticContact NE1-CD2 3.76Å; W231-H233 PolarHBondContact O-N 3.35Å
232P92.8Very high85.5Confident53 Ų5378.1 Ų78.134%0.34439%0.389SS..  trans-78.8-13.9-16731.7-34.5000113.5E199 F230E199-P232 HydrophobicContact CB-CG 4.15Å; E199-P232 HydrophobicContact CG-CG 3.69Å; E199-P232 WeakPolarHBondContact OE2-CG 3.4Å; F230-P232 VanDerWaalsContact O-CD 3.3Å; F230-P232 WeakPolarHBondContact O-CD 3.39Å
233H94.3Very high82.7Confident51 Ų5181.5 Ų81.524%0.23641%0.412CS..SBendtrans-84.1147.8-174.5-54.5-63.5000112.3Q196 I197 E199 W231 I235Q196-H233 VanDerWaalsContact CD-CB 3.4Å; Q196-H233 HydrophobicContact CG-CB 4.07Å; Q196-H233 VanDerWaalsContact OE1-CB 3.28Å; I197-H233 PolarHBondContact O-NE2 3.32Å; E199-H233 IonicContact OE1-CE1 3.28Å; E199-H233 PolarHBondContact OE1-CE1 3.33Å; E199-H233 VanDerWaalsContact OE1-CE1 3.28Å; E199-H233 IonicContact OE1-NE2 3.94Å; W231-H233 VanDerWaalsContact C-N 3.28Å; W231-H233 AromaticContact CE2-CD2 3.88Å; W231-H233 AromaticContact NE1-CD2 3.76Å; W231-H233 PolarHBondContact O-N 3.35Å; H233-I235 PolarHBondContact O-N 3.2Å
234E93.4Very high79.9Confident174 Ų17484.8 Ų84.881%0.81343%0.432SS*.PPolyproline II helixtrans-59.2132.9169.1-173.8179.4-177.800110.4Q196 P236Q196-E234 PolarHBondContact NE2-O 3.3Å; E234-P236 VanDerWaalsContact O-CD 3.26Å; E234-P236 WeakPolarHBondContact O-CD 3.36Å
235I93.8Very high76.7Confident47 Ų4789.4 Ų89.424%0.24146%0.464CS..PPolyproline II helixtrans-76.8116.2179.2-55-52.7000108.9V212 F216 P222 H233V212-I235 HydrophobicContact CG1-CD1 3.78Å; V212-I235 HydrophobicContact CG1-CG2 4.37Å; F216-I235 HydrophobicContact CB-CD1 3.81Å; F216-I235 HydrophobicContact CB-CG1 4.13Å; F216-I235 HydrophobicContact CB-CG2 4.05Å; F216-I235 HydrophobicContact CD2-CD1 3.61Å; F216-I235 HydrophobicContact CE2-CD1 4.39Å; F216-I235 HydrophobicContact CG-CD1 3.87Å; P222-I235 HydrophobicContact CB-CD1 4.02Å; P222-I235 HydrophobicContact CG-CD1 3.94Å; P222-I235 HydrophobicContact CG-CG1 3.9Å; H233-I235 PolarHBondContact O-N 3.2Å
236P90.9Very high73.7Confident35 Ų3597 Ų9723%0.22749%0.493CS..PPolyproline II helixtrans-64.9143.1-175.5-22.234.4000112.4N209 A213 E234N209-P236 HydrophobicContact CB-CB 4.39Å; N209-P236 HydrophobicContact CB-CG 3.95Å; A213-P236 WeakPolarHBondContact CB-O 3.34Å; E234-P236 VanDerWaalsContact O-CD 3.26Å; E234-P236 WeakPolarHBondContact O-CD 3.36Å
237E83.4Confident70.5Confident178 Ų178109.7 Ų109.783%0.83253%0.529SS*.  trans-86.3110.6167.8-67.5-167.7165.900110.5
238V72.9Confident69.2Low22 Ų22113.2 Ų113.213%0.13354%0.542CS..  trans-95.7104.1172.6-179.60000110.2N73 P210 A213 G240 L241N73-V238 VanDerWaalsContact C-CG1 3.5Å; N73-V238 WeakPolarHBondContact O-CG1 3.28Å; P210-V238 HydrophobicContact CB-CG2 4.02Å; P210-V238 HydrophobicContact CG-CG2 4.24Å; A213-V238 HydrophobicContact CB-CB 4.2Å; A213-V238 HydrophobicContact CB-CG2 3.62Å; V238-G240 PolarHBondContact O-N 3.02Å; V238-L241 HydrophobicContact CB-CD1 3.93Å; V238-L241 HydrophobicContact CB-CG 4.15Å; V238-L241 HydrophobicContact CG1-CD1 4.38Å; V238-L241 HydrophobicContact CG1-CG 4.08Å
239R57.7Low67.7Low222 Ų222113.6 Ų113.684%0.83854%0.541SS*.THydrogen-bonded Turntrans-62.8126173.5-65-175.4-177.9-167.51109.1
240G54.5Low66Low50 Ų50116 Ų11652%0.51555%0.55SS..THydrogen-bonded Turntrans106.53.7174.700000116V238 R242V238-G240 PolarHBondContact O-N 3.02Å; G240-R242 PolarHBondContact O-N 3.5Å
241L48.6Very low64.3Low45 Ų45115.8 Ų115.824%0.23655%0.552CS.*  trans-68.269167.6-67.2174.5000111.4R214 V238 S243R214-L241 HydrophobicContact CG-CD1 3.8Å; R214-L241 HydrophobicContact CG-CD2 3.8Å; R214-L241 HydrophobicContact CG-CG 4.49Å; R214-L241 VanDerWaalsContact NH2-CD2 3.27Å; V238-L241 HydrophobicContact CB-CD1 3.93Å; V238-L241 HydrophobicContact CB-CG 4.15Å; V238-L241 HydrophobicContact CG1-CD1 4.38Å; V238-L241 HydrophobicContact CG1-CG 4.08Å; L241-S243 VanDerWaalsContact C-N 3.34Å; L241-S243 PolarHBondContact O-N 2.74Å
242R40.8Very low62.2Low230 Ų230122.9 Ų122.987%0.86859%0.585SS**  trans-62.9106.7156.1-73.2-169.7-178.9-1391.7105.7G240 Q244G240-R242 PolarHBondContact O-N 3.5Å; R242-Q244 PolarHBondContact O-N 3.05Å; R242-Q244 VanDerWaalsContact O-N 3.12Å
243S38.2Very low60.1Low83 Ų83127.5 Ų127.558%0.5860%0.601SS**  trans-46.7117.4169.946.40000109L241 S245L241-S243 VanDerWaalsContact C-N 3.34Å; L241-S243 PolarHBondContact O-N 2.74Å; S243-S245 PolarHBondContact O-N 2.94Å
244Q36.8Very low57.7Low156 Ų156133 Ų13373%0.72963%0.628SS**  trans-68.272.5142.7-70.2-167.31300106.3R242 K246R242-Q244 PolarHBondContact O-N 3.05Å; R242-Q244 VanDerWaalsContact O-N 3.12Å; Q244-K246 PolarHBondContact O-N 2.9Å
245S31.5Very low55Low99 Ų99129.8 Ų129.869%0.69261%0.613SS**  trans-74.9107.6165.1-130.90000104.6S243 R247S243-S245 PolarHBondContact O-N 2.94Å; S245-R247 PolarHBondContact O-N 3.22Å
246K34.6Very low51.7Low199 Ų199136.8 Ų136.887%0.86564%0.644SS**  trans-34.6120.9163.3-68.8174.8172.7-179.80110.4Q244Q244-K246 PolarHBondContact O-N 2.9Å
247R30.9Very low48.2Very low322 Ų322146 Ų146100%1.21568%0.682SS**  trans-145.50138.1-85.4-164.3177.8-177.2-1.4108.1S245S245-R247 PolarHBondContact O-N 3.22Å

Retrieved 247 of 247 residues in 72.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).