G4VA08_SCHMA Loading...

Putative n-acetyltransferase mak3

AlphaFold DB , UniProt , Accession G4VA08, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M56.5Low67.5Low88 Ų8843.7 Ų43.743%0.43322%0.215SC..  0127.80-164.4159.271.800108.8V5 K6 Y175M1-V5 HydrophobicContact CG-CB 3.76Å; M1-V5 HydrophobicContact CG-CG1 3.42Å; M1-V5 VanDerWaalsContact CG-CG1 3.42Å; M1-V5 HydrophobicContact SD-CG1 3.76Å; M1-K6 HydrophobicContact CB-CG 4.27Å; M1-K6 HydrophobicContact CE-CB 4.23Å; M1-K6 HydrophobicContact CE-CG 3.48Å; M1-K6 VanDerWaalsContact CE-CG 3.48Å; M1-K6 HydrophobicContact CG-CG 4.11Å; M1-K6 WeakPolarHBondContact O-CE 3.47Å; M1-Y175 CarbonylContact C-O 3.56Å; M1-Y175 WeakPolarHBondContact CA-O 3.5Å; M1-Y175 PolarHBondContact N-O 3.32Å
2S66.3Low67Low3 Ų347.8 Ų47.82%0.02124%0.239CC..  trans-68.1157.2-175.768.70000114.2D4 V5 K6 Y175S2-D4 PolarHBondContact O-N 2.98Å; S2-V5 PolarHBondContact O-N 3.01Å; S2-V5 VanDerWaalsContact O-N 3.17Å; S2-V5 WeakPolarHBondContact OG-CB 3.27Å; S2-V5 WeakPolarHBondContact OG-CG2 3.41Å; S2-V5 PolarHBondContact OG-N 3.36Å; S2-V5 VanDerWaalsContact OG-N 3.12Å; S2-K6 WeakPolarHBondContact O-CB 3.42Å; S2-K6 WeakPolarHBondContact O-CG 3.44Å; S2-K6 PolarHBondContact O-N 2.86Å; S2-Y175 VanDerWaalsContact CA-CE1 3.48Å; S2-Y175 WeakPolarHBondContact CA-OH 3.41Å; S2-Y175 WeakPolarHBondContact CB-OH 2.91Å; S2-Y175 PolarHBondContact N-O 3.28Å
3E69.6Low66.3Low60 Ų6057.2 Ų57.228%0.2828%0.277SS..Hα-helixtrans-54-39.6175.3-76.9-175.7-163.600110.6K6 L7 Y175 R184E3-K6 PolarHBondContact O-N 3.32Å; E3-L7 VanDerWaalsContact O-CB 3.27Å; E3-L7 WeakPolarHBondContact O-CB 3.46Å; E3-L7 PolarHBondContact O-N 3.38Å; E3-Y175 PolarHBondContact N-OH 3.38Å; E3-R184 IonicContact OE1-CZ 2.6Å; E3-R184 IonicContact OE1-NH1 3.55Å; E3-R184 IonicContact OE1-NH2 3.79Å; E3-R184 PolarHBondContact OE1-NH2 2.7Å
4D68.2Low65.4Low2 Ų259 Ų591%0.01129%0.293CS..Hα-helixtrans-73.1-34.9177.5-56.6-37.6000113.7S2 L7 S8 Y66 F74 Y111 A113S2-D4 PolarHBondContact O-N 2.98Å; D4-L7 PolarHBondContact O-N 2.8Å; D4-S8 VanDerWaalsContact O-CB 3.22Å; D4-S8 WeakPolarHBondContact O-CB 3.46Å; D4-S8 PolarHBondContact O-N 3.32Å; D4-Y66 HydrophobicContact CB-CE1 3.72Å; D4-F74 WeakPolarHBondContact OD1-CZ 3.5Å; D4-Y111 VanDerWaalsContact CG-CE1 3.48Å; D4-Y111 VanDerWaalsContact CG-OH 3.26Å; D4-Y111 WeakPolarHBondContact OD1-CE1 3.44Å; D4-Y111 WeakPolarHBondContact OD2-CE1 3.39Å; D4-Y111 VanDerWaalsContact OD2-CZ 3.28Å; D4-Y111 PolarHBondContact OD2-OH 3.16Å; D4-A113 WeakPolarHBondContact OD2-CA 3.47Å; D4-A113 WeakPolarHBondContact OD2-CB 3.31Å
5V66.8Low64.2Low8 Ų863.7 Ų63.75%0.04833%0.325CS..Hα-helixtrans-74.4-34.2176.1176.10000110.4M1 S2 S8 T9 E64 Y66 L177M1-V5 HydrophobicContact CG-CB 3.76Å; M1-V5 HydrophobicContact CG-CG1 3.42Å; M1-V5 VanDerWaalsContact CG-CG1 3.42Å; M1-V5 HydrophobicContact SD-CG1 3.76Å; S2-V5 PolarHBondContact O-N 3.01Å; S2-V5 VanDerWaalsContact O-N 3.17Å; S2-V5 WeakPolarHBondContact OG-CB 3.27Å; S2-V5 WeakPolarHBondContact OG-CG2 3.41Å; S2-V5 PolarHBondContact OG-N 3.36Å; S2-V5 VanDerWaalsContact OG-N 3.12Å; V5-S8 PolarHBondContact O-N 3.18Å; V5-T9 VanDerWaalsContact O-CB 3.3Å; V5-T9 WeakPolarHBondContact O-CB 3.19Å; V5-T9 PolarHBondContact O-N 3.27Å; V5-T9 PolarHBondContact O-OG1 2.74Å; V5-E64 HydrophobicContact CG2-CB 4.31Å; V5-E64 HydrophobicContact CG2-CG 4.23Å; V5-E64 WeakPolarHBondContact CG2-OE2 3.25Å; V5-Y66 HydrophobicContact CG2-CE1 4.32Å; V5-L177 HydrophobicContact CG1-CD1 4.14Å; V5-L177 HydrophobicContact CG1-CD2 4.15Å; V5-L177 HydrophobicContact CG1-CG 4.17Å
6K69.9Low63Low103 Ų10365.2 Ų65.245%0.44833%0.334SS..Hα-helixtrans-60.2-51169-74.7173.4-178.2-177.20110.5M1 S2 E3 S8 T9 E10M1-K6 HydrophobicContact CB-CG 4.27Å; M1-K6 HydrophobicContact CE-CB 4.23Å; M1-K6 HydrophobicContact CE-CG 3.48Å; M1-K6 VanDerWaalsContact CE-CG 3.48Å; M1-K6 HydrophobicContact CG-CG 4.11Å; M1-K6 WeakPolarHBondContact O-CE 3.47Å; S2-K6 WeakPolarHBondContact O-CB 3.42Å; S2-K6 WeakPolarHBondContact O-CG 3.44Å; S2-K6 PolarHBondContact O-N 2.86Å; E3-K6 PolarHBondContact O-N 3.32Å; K6-S8 VanDerWaalsContact C-N 3.33Å; K6-S8 PolarHBondContact O-N 3.08Å; K6-T9 WeakPolarHBondContact O-CB 3.38Å; K6-T9 PolarHBondContact O-N 3.13Å; K6-T9 VanDerWaalsContact O-N 3.17Å; K6-E10 WeakPolarHBondContact O-CB 3.37Å; K6-E10 VanDerWaalsContact O-CG 3.32Å; K6-E10 WeakPolarHBondContact O-CG 3.49Å; K6-E10 PolarHBondContact O-N 2.77Å
7L71.4Confident61.5Low22 Ų2268.9 Ų68.912%0.11536%0.36CS..Hα-helixtrans-59.4-44.2176.2179.567.5000111.4E3 D4 T9 E10 L11 Y73 F74E3-L7 VanDerWaalsContact O-CB 3.27Å; E3-L7 WeakPolarHBondContact O-CB 3.46Å; E3-L7 PolarHBondContact O-N 3.38Å; D4-L7 PolarHBondContact O-N 2.8Å; L7-T9 VanDerWaalsContact C-N 3.34Å; L7-T9 PolarHBondContact O-N 3.42Å; L7-E10 PolarHBondContact O-N 3.03Å; L7-L11 HydrophobicContact CD1-CD1 3.92Å; L7-L11 HydrophobicContact CD1-CG 4.03Å; L7-L11 HydrophobicContact CD2-CD1 4.43Å; L7-L11 HydrophobicContact CG-CD1 3.76Å; L7-L11 HydrophobicContact CG-CG 4.25Å; L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 2.79Å; L7-Y73 HydrophobicContact CD1-CD1 4.37Å; L7-Y73 HydrophobicContact CD1-CE1 4.02Å; L7-Y73 HydrophobicContact CD1-CE2 4.37Å; L7-Y73 HydrophobicContact CD2-CD1 3.41Å; L7-Y73 VanDerWaalsContact CD2-CD1 3.41Å; L7-Y73 HydrophobicContact CD2-CE1 3.34Å; L7-Y73 HydrophobicContact CD2-CG 4.25Å; L7-Y73 HydrophobicContact CG-CD1 4.31Å; L7-Y73 HydrophobicContact CG-CE1 4.25Å; L7-F74 HydrophobicContact CD2-CE2 3.92Å; L7-F74 HydrophobicContact CD2-CZ 4.12Å
8S68.7Low60.1Low5 Ų575.1 Ų75.14%0.03539%0.387CS..Hα-helixtrans-59.9-43.9175.4-166.50000111.8D4 V5 K6 N12 S67 T70D4-S8 VanDerWaalsContact O-CB 3.22Å; D4-S8 WeakPolarHBondContact O-CB 3.46Å; D4-S8 PolarHBondContact O-N 3.32Å; V5-S8 PolarHBondContact O-N 3.18Å; K6-S8 VanDerWaalsContact C-N 3.33Å; K6-S8 PolarHBondContact O-N 3.08Å; S8-N12 VanDerWaalsContact O-CB 3.3Å; S8-N12 WeakPolarHBondContact O-CB 3.46Å; S8-N12 PolarHBondContact O-N 2.8Å; S8-N12 PolarHBondContact O-ND2 3.34Å; S8-N12 PolarHBondContact O-OD1 3.29Å; S8-S67 PolarHBondContact OG-OG 3.43Å; S8-T70 WeakPolarHBondContact CA-OG1 3.24Å; S8-T70 WeakPolarHBondContact CB-OG1 3.37Å; S8-T70 PolarHBondContact OG-OG1 2.84Å
9T65.9Low58.9Low53 Ų5381.6 Ų81.633%0.32541%0.413SS..Hα-helixtrans-66.2-37.5177.5-55.60000111.9V5 K6 L7 K13V5-T9 VanDerWaalsContact O-CB 3.3Å; V5-T9 WeakPolarHBondContact O-CB 3.19Å; V5-T9 PolarHBondContact O-N 3.27Å; V5-T9 PolarHBondContact O-OG1 2.74Å; K6-T9 WeakPolarHBondContact O-CB 3.38Å; K6-T9 PolarHBondContact O-N 3.13Å; K6-T9 VanDerWaalsContact O-N 3.17Å; L7-T9 VanDerWaalsContact C-N 3.34Å; L7-T9 PolarHBondContact O-N 3.42Å; T9-K13 WeakPolarHBondContact O-CG 3.46Å
10E68.8Low57.5Low120 Ų12082.6 Ų82.656%0.56143%0.426SS*.Hα-helixtrans-71.3-46.7176.8-74.7173.8178.700111.4K6 L7 N12 K13 V14K6-E10 WeakPolarHBondContact O-CB 3.37Å; K6-E10 VanDerWaalsContact O-CG 3.32Å; K6-E10 WeakPolarHBondContact O-CG 3.49Å; K6-E10 PolarHBondContact O-N 2.77Å; L7-E10 PolarHBondContact O-N 3.03Å; E10-N12 VanDerWaalsContact C-N 3.32Å; E10-N12 PolarHBondContact O-N 3.45Å; E10-K13 WeakPolarHBondContact O-CA 3.33Å; E10-K13 WeakPolarHBondContact O-CB 3.21Å; E10-K13 PolarHBondContact O-N 3.5Å; E10-V14 WeakPolarHBondContact O-CG2 3.38Å; E10-V14 PolarHBondContact O-N 3.03Å
11L70.1Confident56.2Low17 Ų1787.1 Ų87.19%0.08945%0.445CS..Hα-helixtrans-65.2-34.9177.6-70.1173.3000111.9L7 K13 V14 L16 Y73L7-L11 HydrophobicContact CD1-CD1 3.92Å; L7-L11 HydrophobicContact CD1-CG 4.03Å; L7-L11 HydrophobicContact CD2-CD1 4.43Å; L7-L11 HydrophobicContact CG-CD1 3.76Å; L7-L11 HydrophobicContact CG-CG 4.25Å; L7-L11 VanDerWaalsContact O-CB 3.29Å; L7-L11 WeakPolarHBondContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CG 3.34Å; L7-L11 PolarHBondContact O-N 2.79Å; L11-K13 PolarHBondContact O-N 3.27Å; L11-V14 CarbonylContact O-C 3.55Å; L11-V14 PolarHBondContact O-N 3.28Å; L11-V14 VanDerWaalsContact O-N 3.07Å; L11-L16 HydrophobicContact CD2-CD2 4.15Å; L11-Y73 HydrophobicContact CD1-CD2 4.19Å; L11-Y73 HydrophobicContact CD1-CG 3.88Å; L11-Y73 HydrophobicContact CD2-CD2 4.32Å
12N61.3Low55.2Low93 Ų9388.2 Ų88.250%0.49746%0.461SS..THydrogen-bonded Turntrans-64.4-19.8173.3-71.6-15.5000112.8S8 E10 S67S8-N12 VanDerWaalsContact O-CB 3.3Å; S8-N12 WeakPolarHBondContact O-CB 3.46Å; S8-N12 PolarHBondContact O-N 2.8Å; S8-N12 PolarHBondContact O-ND2 3.34Å; S8-N12 PolarHBondContact O-OD1 3.29Å; E10-N12 VanDerWaalsContact C-N 3.32Å; E10-N12 PolarHBondContact O-N 3.45Å; N12-S67 WeakPolarHBondContact OD1-CB 3.42Å; N12-S67 PolarHBondContact OD1-OG 2.87Å
13K58.4Low53.8Low170 Ų17096.7 Ų96.774%0.73950%0.501SS*.THydrogen-bonded Turntrans-90.6-19.1174-67.5173.3-178.1178.40112.8T9 E10 L11T9-K13 WeakPolarHBondContact O-CG 3.46Å; E10-K13 WeakPolarHBondContact O-CA 3.33Å; E10-K13 WeakPolarHBondContact O-CB 3.21Å; E10-K13 PolarHBondContact O-N 3.5Å; L11-K13 PolarHBondContact O-N 3.27Å
14V53.5Low52.3Low82 Ų82102.2 Ų102.250%0.49753%0.527SS..SBendtrans-100.8109-178.1178.10000108.5E10 L11 L16E10-V14 WeakPolarHBondContact O-CG2 3.38Å; E10-V14 PolarHBondContact O-N 3.03Å; L11-V14 CarbonylContact O-C 3.55Å; L11-V14 PolarHBondContact O-N 3.28Å; L11-V14 VanDerWaalsContact O-N 3.07Å; V14-L16 PolarHBondContact O-N 3.31Å
15V48Very low51Low129 Ų129109.3 Ų109.378%0.78256%0.564SS**  trans-60.2107.3161.3179.30000106T17V15-T17 VanDerWaalsContact C-N 3.31Å; V15-T17 PolarHBondContact O-N 3.3Å
16L43.9Very low50.3Low88 Ų88112.2 Ų112.246%0.46158%0.577SS.*  trans-62.493.9177.8-71.9170000108.6L11 V14 Y69L11-L16 HydrophobicContact CD2-CD2 4.15Å; V14-L16 PolarHBondContact O-N 3.31Å; L16-Y69 HydrophobicContact CD1-CD1 3.71Å; L16-Y69 HydrophobicContact CD1-CE1 4.42Å
17T38.5Very low49.4Very low128 Ų128114.7 Ų114.779%0.78559%0.59SS**  trans-72125.7158.924.10000107.9V15 K19V15-T17 VanDerWaalsContact C-N 3.31Å; V15-T17 PolarHBondContact O-N 3.3Å; T17-K19 PolarHBondContact O-N 2.66Å
18E36.9Very low48.7Very low180 Ų180117 Ų11784%0.84161%0.606SS**  trans-49.9117.6-170.8-64.5165.2146.900112.4
19K36.3Very low48.5Very low200 Ų200121.3 Ų121.387%0.8764%0.635SS**  trans-108.976.6150.1-88.6-174.5173.7-176.60107.9T17 Q21T17-K19 PolarHBondContact O-N 2.66Å; K19-Q21 VanDerWaalsContact C-N 3.31Å; K19-Q21 PolarHBondContact O-N 2.88Å
20C30.4Very low49.4Very low101 Ų101127 Ų12768%0.68266%0.658SS**  trans-75.486.5157.8-84.10000108.3
21Q30.6Very low50.5Low177 Ų177123.8 Ų123.883%0.82765%0.648SS**  trans-14474.3165.8-70.4-166.8-18.300110.2K19K19-Q21 VanDerWaalsContact C-N 3.31Å; K19-Q21 PolarHBondContact O-N 2.88Å
22S35Very low51.7Low111 Ų111125.7 Ų125.778%0.77666%0.658SS**  trans-17461137.444.20000109.7E24S22-E24 PolarHBondContact O-N 3.2Å; S22-E24 VanDerWaalsContact O-N 3.09Å
23E37.4Very low53.4Low181 Ų181124.1 Ų124.185%0.84665%0.647SS**  trans-75.873.9156.4-72.5-177.816100108.4
24E37.9Very low55.3Low177 Ų177121.6 Ų121.683%0.82764%0.635SS**SBendtrans-120.986.7161.2-77.4-169166.900108.2S22 F26S22-E24 PolarHBondContact O-N 3.2Å; S22-E24 VanDerWaalsContact O-N 3.09Å; E24-F26 PolarHBondContact O-N 3.3Å
25N41.3Very low57.3Low150 Ų150119 Ų11980%0.80262%0.619SS**  trans46.864.5161.3-66.7-29000117Q27N25-Q27 VanDerWaalsContact C-N 3.32Å; N25-Q27 PolarHBondContact O-N 3.07Å
26F52Low59.6Low70 Ų70120.2 Ų120.231%0.30762%0.618SS.*  trans-75.292.1156-173.6-99.1000109.3E24 P28 Q44 Y45 K80E24-F26 PolarHBondContact O-N 3.3Å; F26-P28 HydrophobicContact CE1-CG 4.14Å; F26-Q44 HydrophobicContact CZ-CB 3.93Å; F26-Y45 WeakPolarHBondContact CE1-O 3.29Å; F26-K80 HydrophobicContact CD2-CG 3.88Å; F26-K80 HydrophobicContact CE2-CG 3.59Å
27Q52Low62Low154 Ų154124.2 Ų124.272%0.7263%0.634SS**  trans-87.2122.4163.2-76.8-174.7-36.500108.2N25 C29N25-Q27 VanDerWaalsContact C-N 3.32Å; N25-Q27 PolarHBondContact O-N 3.07Å; Q27-C29 PolarHBondContact O-N 2.93Å
28P55.6Low64.7Low70 Ų70120.6 Ų120.646%0.45561%0.61SS.*  trans-55.1113.8171.3-24.133.4000110F26 I46F26-P28 HydrophobicContact CE1-CG 4.14Å; P28-I46 HydrophobicContact CB-CB 4.34Å; P28-I46 HydrophobicContact CB-CG2 3.5Å; P28-I46 HydrophobicContact CG-CB 3.77Å; P28-I46 HydrophobicContact CG-CG2 3.49Å; P28-I46 VanDerWaalsContact CG-CG2 3.49Å
29C64.6Low67.6Low97 Ų97117.6 Ų117.666%0.65559%0.594SS**  trans-71.1165.9173.4-85.50000110.6Q27Q27-C29 PolarHBondContact O-N 2.93Å
30E84Confident70.5Confident172 Ų172108.2 Ų108.280%0.80455%0.553SS**SBendtrans-39149.2167.8-66.7-172.716200112.1L32E30-L32 PolarHBondContact O-N 3.4Å
31P92.8Very high73.7Confident52 Ų52105.6 Ų105.634%0.33854%0.535SS..  trans-55.3133.7179.721.7-31.4000110.9F33 K34 T41 F42P31-F33 PolarHBondContact O-N 3.47Å; P31-K34 HydrophobicContact CB-CG 4.32Å; P31-K34 HydrophobicContact CG-CD 4.28Å; P31-K34 HydrophobicContact CG-CG 4.1Å; P31-T41 HydrophobicContact CB-CG2 3.37Å; P31-T41 HydrophobicContact CG-CG2 4.1Å; P31-F42 CarbonylContact C-O 3.51Å; P31-F42 WeakPolarHBondContact CA-O 3.49Å
32L95.9Very high77Confident57 Ų5797.3 Ų97.330%0.29850%0.496SS..SBendtrans-61.4-33.4-179.5-63.6176000111.7E30 F42 Q44 L83 L133 L137E30-L32 PolarHBondContact O-N 3.4Å; L32-F42 PolarHBondContact N-O 3.33Å; L32-Q44 HydrophobicContact CD1-CG 3.93Å; L32-Q44 HydrophobicContact CG-CG 4.37Å; L32-L83 HydrophobicContact CD1-CD1 4.06Å; L32-L83 HydrophobicContact CD1-CD2 3.67Å; L32-L83 HydrophobicContact CD1-CG 4.44Å; L32-L133 HydrophobicContact CB-CD1 4.09Å; L32-L133 HydrophobicContact CB-CD2 4.09Å; L32-L137 HydrophobicContact CD1-CD1 4.02Å
33F97.3Very high79.9Confident61 Ų6193.9 Ų93.927%0.26847%0.466SS..EExtended strand (participates in β ladder)trans-158.2146.6176.7179-111.7000110.6P31 D35 F42 R129 L133P31-F33 PolarHBondContact O-N 3.47Å; F33-D35 HydrophobicContact CE1-CB 3.82Å; F33-F42 HydrophobicContact CB-CB 4.18Å; F33-F42 HydrophobicContact CB-CD2 4.31Å; F33-F42 HydrophobicContact CB-CG 4.49Å; F33-F42 AromaticContact CD1-CD2 3.57Å; F33-F42 HydrophobicContact CD1-CD2 3.57Å; F33-F42 AromaticContact CD1-CE2 3.79Å; F33-F42 HydrophobicContact CD1-CE2 3.79Å; F33-F42 HydrophobicContact CD1-CG 4.36Å; F33-F42 HydrophobicContact CE1-CD2 4.43Å; F33-F42 HydrophobicContact CE1-CE2 4.24Å; F33-F42 HydrophobicContact CG-CD2 4.42Å; F33-F42 PolarHBondContact N-O 3.2Å; F33-F42 PolarHBondContact O-N 2.93Å; F33-R129 HydrophobicContact CD1-CG 3.83Å; F33-R129 HydrophobicContact CE1-CG 4.29Å; F33-L133 HydrophobicContact CB-CD1 4.14Å; F33-L133 HydrophobicContact CB-CD2 4.36Å
34K96.9Very high82.7Confident116 Ų11686.3 Ų86.350%0.50443%0.431SS..EExtended strand (participates in β ladder)trans-121.4116.5169.9-68.5-172.6-178.9-176.30109.5P31 M36 T41P31-K34 HydrophobicContact CB-CG 4.32Å; P31-K34 HydrophobicContact CG-CD 4.28Å; P31-K34 HydrophobicContact CG-CG 4.1Å; K34-M36 HydrophobicContact CB-SD 4.24Å; K34-M36 PolarHBondContact O-N 3.41Å; K34-T41 HydrophobicContact CG-CG2 4.27Å
35D96.6Very high85.5Confident28 Ų2878.8 Ų78.815%0.1540%0.395CS..EExtended strand (participates in β ladder)trans-84.495.1168.3-172.7-22.9000108.9F33 Q37 N38 K39 I40 F42F33-D35 HydrophobicContact CE1-CB 3.82Å; D35-Q37 PolarHBondContact O-N 2.9Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.49Å; D35-Q37 PolarHBondContact OD1-N 3.4Å; D35-N38 PolarHBondContact OD1-N 3.4Å; D35-N38 PolarHBondContact OD2-ND2 3.45Å; D35-K39 VanDerWaalsContact O-CA 3.27Å; D35-K39 WeakPolarHBondContact O-CA 3.29Å; D35-K39 PolarHBondContact O-N 3.03Å; D35-I40 HydrophobicContact CB-CB 4.28Å; D35-I40 PolarHBondContact N-O 3.29Å; D35-I40 PolarHBondContact O-N 3.12Å; D35-I40 VanDerWaalsContact O-N 3.08Å; D35-F42 HydrophobicContact CB-CE2 4.17Å
36M95.1Very high88Confident154 Ų15475.6 Ų75.676%0.75938%0.377SS*.THydrogen-bonded Turntrans-66.8-25.2-179.8-61.2-57.8-63.400112.9K34K34-M36 HydrophobicContact CB-SD 4.24Å; K34-M36 PolarHBondContact O-N 3.41Å
37Q94.9Very high89.9Confident172 Ų17273.2 Ų73.280%0.80437%0.372SS*.THydrogen-bonded Turntrans-74.7-45.2-178.7180178.7-4.700110.8D35D35-Q37 PolarHBondContact O-N 2.9Å; D35-Q37 WeakPolarHBondContact OD1-CB 3.49Å; D35-Q37 PolarHBondContact OD1-N 3.4Å
38N95.4Very high91.9Very high52 Ų5269.7 Ų69.728%0.27836%0.356SS..THydrogen-bonded Turntrans-95.6-0.1-179.3-61.1-59.4000113.2D35 I40 I124D35-N38 PolarHBondContact OD1-N 3.4Å; D35-N38 PolarHBondContact OD2-ND2 3.45Å; N38-I40 VanDerWaalsContact C-N 3.28Å; N38-I40 HydrophobicContact CB-CG1 4.03Å; N38-I40 WeakPolarHBondContact O-CG1 3.29Å; N38-I40 PolarHBondContact O-N 2.48Å; N38-I124 HydrophobicContact CB-CD1 4.18Å
39K96.8Very high93.7Very high117 Ų11770.1 Ų70.151%0.50936%0.36SS..THydrogen-bonded Turntrans55.940.3-177.6-56.2177.4162.5-1570113.2D35 E88D35-K39 VanDerWaalsContact O-CA 3.27Å; D35-K39 WeakPolarHBondContact O-CA 3.29Å; D35-K39 PolarHBondContact O-N 3.03Å; K39-E88 HydrophobicContact CB-CB 4.29Å; K39-E88 WeakPolarHBondContact CD-OE2 3.35Å; K39-E88 IonicContact NZ-OE1 3.77Å; K39-E88 IonicContact NZ-OE2 2.74Å; K39-E88 PolarHBondContact NZ-OE2 3.5Å; K39-E88 PolarHBondContact O-N 2.94Å
40I98.1Very high95.2Very high3 Ų365.7 Ų65.72%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-111128.8-179.6-57-53.2000109.8D35 N38 F42 A85 V86 V93 I126D35-I40 HydrophobicContact CB-CB 4.28Å; D35-I40 PolarHBondContact N-O 3.29Å; D35-I40 PolarHBondContact O-N 3.12Å; D35-I40 VanDerWaalsContact O-N 3.08Å; N38-I40 VanDerWaalsContact C-N 3.28Å; N38-I40 HydrophobicContact CB-CG1 4.03Å; N38-I40 WeakPolarHBondContact O-CG1 3.29Å; N38-I40 PolarHBondContact O-N 2.48Å; I40-F42 HydrophobicContact CB-CE2 4.03Å; I40-F42 HydrophobicContact CG2-CD2 4.02Å; I40-F42 HydrophobicContact CG2-CE2 3.52Å; I40-F42 HydrophobicContact CG2-CZ 3.82Å; I40-A85 HydrophobicContact CG2-CB 3.74Å; I40-V86 WeakPolarHBondContact CA-O 3.34Å; I40-V93 HydrophobicContact CD1-CG2 3.76Å; I40-V93 HydrophobicContact CG2-CG2 4.43Å; I40-I126 HydrophobicContact CG1-CD1 4.19Å
41T98.1Very high95.7Very high47 Ų4757.5 Ų57.529%0.28829%0.292SS..EExtended strand (participates in β ladder)trans-103.3125.9173-62.10000109.7P31 K34 V86P31-T41 HydrophobicContact CB-CG2 3.37Å; P31-T41 HydrophobicContact CG-CG2 4.1Å; K34-T41 HydrophobicContact CG-CG2 4.27Å; T41-V86 PolarHBondContact N-O 2.95Å; T41-V86 PolarHBondContact O-N 3.07Å
42F98.3Very high95.8Very high2 Ų259.4 Ų59.41%0.00930%0.299CS..EExtended strand (participates in β ladder)trans-99.5122.5176.3-62.7-105.6000108.7P31 L32 F33 D35 I40 L84 A85 I126 R129 L130 L133P31-F42 CarbonylContact C-O 3.51Å; P31-F42 WeakPolarHBondContact CA-O 3.49Å; L32-F42 PolarHBondContact N-O 3.33Å; F33-F42 HydrophobicContact CB-CB 4.18Å; F33-F42 HydrophobicContact CB-CD2 4.31Å; F33-F42 HydrophobicContact CB-CG 4.49Å; F33-F42 AromaticContact CD1-CD2 3.57Å; F33-F42 HydrophobicContact CD1-CD2 3.57Å; F33-F42 AromaticContact CD1-CE2 3.79Å; F33-F42 HydrophobicContact CD1-CE2 3.79Å; F33-F42 HydrophobicContact CD1-CG 4.36Å; F33-F42 HydrophobicContact CE1-CD2 4.43Å; F33-F42 HydrophobicContact CE1-CE2 4.24Å; F33-F42 HydrophobicContact CG-CD2 4.42Å; F33-F42 PolarHBondContact N-O 3.2Å; F33-F42 PolarHBondContact O-N 2.93Å; D35-F42 HydrophobicContact CB-CE2 4.17Å; I40-F42 HydrophobicContact CB-CE2 4.03Å; I40-F42 HydrophobicContact CG2-CD2 4.02Å; I40-F42 HydrophobicContact CG2-CE2 3.52Å; I40-F42 HydrophobicContact CG2-CZ 3.82Å; F42-L84 CarbonylContact C-O 3.51Å; F42-L84 VanDerWaalsContact CA-O 3.29Å; F42-L84 WeakPolarHBondContact CA-O 3.47Å; F42-A85 HydrophobicContact CD1-CB 3.91Å; F42-A85 HydrophobicContact CE1-CB 3.72Å; F42-A85 HydrophobicContact CZ-CB 4.22Å; F42-I126 HydrophobicContact CE1-CG2 4.08Å; F42-I126 HydrophobicContact CZ-CB 4.45Å; F42-I126 HydrophobicContact CZ-CG1 4.24Å; F42-I126 HydrophobicContact CZ-CG2 4.34Å; F42-R129 HydrophobicContact CD1-CB 4.39Å; F42-R129 HydrophobicContact CD1-CG 3.75Å; F42-R129 HydrophobicContact CD2-CG 4.17Å; F42-R129 HydrophobicContact CE1-CB 3.7Å; F42-R129 HydrophobicContact CE1-CG 3.48Å; F42-R129 VanDerWaalsContact CE1-CG 3.48Å; F42-R129 HydrophobicContact CE2-CG 3.94Å; F42-R129 HydrophobicContact CG-CG 4.09Å; F42-R129 HydrophobicContact CZ-CB 3.83Å; F42-R129 HydrophobicContact CZ-CG 3.59Å; F42-L130 HydrophobicContact CD1-CD2 3.89Å; F42-L130 HydrophobicContact CD1-CG 4.11Å; F42-L130 HydrophobicContact CE1-CD2 4.28Å; F42-L130 HydrophobicContact CE1-CG 4.01Å; F42-L133 HydrophobicContact CB-CD1 3.57Å; F42-L133 HydrophobicContact CD1-CD1 4.03Å; F42-L133 HydrophobicContact CG-CD1 3.98Å
43R97.1Very high95.7Very high40 Ų4058.6 Ų58.615%0.15130%0.298CS..EExtended strand (participates in β ladder)trans-144.1164-177.560.4166.3-179.976.2-4.3111.5D50 L83 L84 V86R43-D50 IonicContact CZ-OD1 2.68Å; R43-D50 IonicContact CZ-OD2 2.71Å; R43-D50 VanDerWaalsContact NH1-CG 3.35Å; R43-D50 IonicContact NH1-OD1 3.69Å; R43-D50 PolarHBondContact NH1-OD1 3.47Å; R43-D50 IonicContact NH1-OD2 2.75Å; R43-D50 PolarHBondContact NH1-OD2 2.84Å; R43-D50 IonicContact NH2-OD1 3.06Å; R43-D50 PolarHBondContact NH2-OD1 2.95Å; R43-D50 IonicContact NH2-OD2 3.13Å; R43-L83 WeakPolarHBondContact O-CA 3.42Å; R43-L84 PolarHBondContact N-O 2.99Å; R43-L84 PolarHBondContact O-N 3.21Å; R43-V86 HydrophobicContact CG-CG2 4.45Å
44Q96.9Very high95.7Very high22 Ų2255.7 Ų55.710%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-73.6159.6171.9-63.4175.2-71.300110.5F26 L32 I46 K80 L83F26-Q44 HydrophobicContact CZ-CB 3.93Å; L32-Q44 HydrophobicContact CD1-CG 3.93Å; L32-Q44 HydrophobicContact CG-CG 4.37Å; Q44-I46 WeakPolarHBondContact O-CG2 3.24Å; Q44-K80 PolarHBondContact NE2-O 3.17Å; Q44-L83 HydrophobicContact CB-CD2 4.37Å; Q44-L83 HydrophobicContact CG-CD2 3.64Å
45Y96.2Very high95.6Very high18 Ų1852 Ų527%0.07127%0.27CS..  trans-53.3135.9169.9171.7-90.8000111.3F26 G47 E48 D50 L51 I54 I75 P79 C82F26-Y45 WeakPolarHBondContact CE1-O 3.29Å; Y45-G47 WeakPolarHBondContact CE2-O 3.48Å; Y45-G47 PolarHBondContact OH-O 2.83Å; Y45-E48 PolarHBondContact OH-N 2.94Å; Y45-D50 WeakPolarHBondContact CA-OD2 3.34Å; Y45-D50 HydrophobicContact CD2-CB 3.51Å; Y45-D50 HydrophobicContact CE2-CB 3.72Å; Y45-D50 HydrophobicContact CG-CB 4.47Å; Y45-L51 HydrophobicContact CE2-CB 4Å; Y45-I54 HydrophobicContact CD2-CD1 3.98Å; Y45-I75 HydrophobicContact CD1-CG2 3.81Å; Y45-I75 HydrophobicContact CD2-CD1 4.32Å; Y45-I75 HydrophobicContact CD2-CG1 4.45Å; Y45-I75 HydrophobicContact CD2-CG2 4.15Å; Y45-I75 HydrophobicContact CE1-CG2 3.39Å; Y45-I75 HydrophobicContact CE2-CD1 4.1Å; Y45-I75 HydrophobicContact CE2-CG1 4.49Å; Y45-I75 HydrophobicContact CE2-CG2 3.76Å; Y45-I75 HydrophobicContact CG-CG2 4.17Å; Y45-P79 HydrophobicContact CD1-CB 4.39Å; Y45-C82 PolarHBondContact N-O 3.05Å
46I93.3Very high95.4Very high83 Ų8355.5 Ų55.543%0.42629%0.29SS..  trans-121.4-14.3-177.771.6179.2000114.9P28 Q44 D50P28-I46 HydrophobicContact CB-CB 4.34Å; P28-I46 HydrophobicContact CB-CG2 3.5Å; P28-I46 HydrophobicContact CG-CB 3.77Å; P28-I46 HydrophobicContact CG-CG2 3.49Å; P28-I46 VanDerWaalsContact CG-CG2 3.49Å; Q44-I46 WeakPolarHBondContact O-CG2 3.24Å; I46-D50 WeakPolarHBondContact CG1-OD2 3.41Å; I46-D50 PolarHBondContact N-OD2 3.48Å
47G92.8Very high95.4Very high20 Ų2049 Ų4921%0.20626%0.258CS..SBendtrans163.5-172.9-178.700000114.9Y45 S49 D50 L51Y45-G47 WeakPolarHBondContact CE2-O 3.48Å; Y45-G47 PolarHBondContact OH-O 2.83Å; G47-S49 PolarHBondContact O-N 2.89Å; G47-S49 VanDerWaalsContact O-N 3.12Å; G47-D50 VanDerWaalsContact O-CB 3.32Å; G47-D50 WeakPolarHBondContact O-CB 3.22Å; G47-D50 PolarHBondContact O-N 3.04Å; G47-L51 PolarHBondContact O-N 3.36Å
48E92.8Very high95.4Very high81 Ų8140.9 Ų40.938%0.37922%0.22SC..Hα-helixtrans-60.8-25.9-170.4-68.4-71.5135.500114.5Y45 D50 L51 N52 R72Y45-E48 PolarHBondContact OH-N 2.94Å; E48-D50 VanDerWaalsContact C-N 3.3Å; E48-D50 PolarHBondContact O-N 3.21Å; E48-L51 WeakPolarHBondContact O-CB 3.01Å; E48-L51 PolarHBondContact O-N 2.98Å; E48-L51 WeakPolarHBondContact OE2-CD2 3.46Å; E48-N52 PolarHBondContact O-N 2.96Å; E48-N52 VanDerWaalsContact O-N 3.12Å; E48-N52 PolarHBondContact O-ND2 3.27Å; E48-R72 IonicContact OE1-CZ 2.75Å; E48-R72 IonicContact OE1-NH1 2.74Å; E48-R72 PolarHBondContact OE1-NH1 3.35Å; E48-R72 IonicContact OE1-NH2 3.64Å; E48-R72 IonicContact OE2-CZ 2.91Å; E48-R72 IonicContact OE2-NH1 3.6Å; E48-R72 PolarHBondContact OE2-NH1 3.03Å; E48-R72 IonicContact OE2-NH2 3.22Å; E48-R72 PolarHBondContact OE2-NH2 3.37Å
49S93.1Very high95.2Very high78 Ų7841.6 Ų41.655%0.54523%0.233SC..Hα-helixtrans-62.6-38.1172.952.60000112.2G47 S53G47-S49 PolarHBondContact O-N 2.89Å; G47-S49 VanDerWaalsContact O-N 3.12Å; S49-S53 PolarHBondContact O-N 3.36Å; S49-S53 PolarHBondContact O-OG 2.68Å
50D95.8Very high94.9Very high5 Ų542.9 Ų42.93%0.02725%0.246CC..Hα-helixtrans-68.7-40173.4-72.5-9.9000110.9R43 Y45 I46 G47 E48 N52 S53 I54 L84R43-D50 IonicContact CZ-OD1 2.68Å; R43-D50 IonicContact CZ-OD2 2.71Å; R43-D50 VanDerWaalsContact NH1-CG 3.35Å; R43-D50 IonicContact NH1-OD1 3.69Å; R43-D50 PolarHBondContact NH1-OD1 3.47Å; R43-D50 IonicContact NH1-OD2 2.75Å; R43-D50 PolarHBondContact NH1-OD2 2.84Å; R43-D50 IonicContact NH2-OD1 3.06Å; R43-D50 PolarHBondContact NH2-OD1 2.95Å; R43-D50 IonicContact NH2-OD2 3.13Å; Y45-D50 WeakPolarHBondContact CA-OD2 3.34Å; Y45-D50 HydrophobicContact CD2-CB 3.51Å; Y45-D50 HydrophobicContact CE2-CB 3.72Å; Y45-D50 HydrophobicContact CG-CB 4.47Å; I46-D50 WeakPolarHBondContact CG1-OD2 3.41Å; I46-D50 PolarHBondContact N-OD2 3.48Å; G47-D50 VanDerWaalsContact O-CB 3.32Å; G47-D50 WeakPolarHBondContact O-CB 3.22Å; G47-D50 PolarHBondContact O-N 3.04Å; E48-D50 VanDerWaalsContact C-N 3.3Å; E48-D50 PolarHBondContact O-N 3.21Å; D50-N52 VanDerWaalsContact C-N 3.3Å; D50-N52 PolarHBondContact O-N 3.42Å; D50-S53 CarbonylContact O-C 3.57Å; D50-S53 WeakPolarHBondContact O-CA 3.48Å; D50-S53 WeakPolarHBondContact O-CB 3.25Å; D50-S53 PolarHBondContact O-N 3.01Å; D50-I54 WeakPolarHBondContact O-CB 3.21Å; D50-I54 WeakPolarHBondContact O-CG1 3.44Å; D50-I54 PolarHBondContact O-N 3Å; D50-L84 HydrophobicContact CB-CD1 4.17Å; D50-L84 HydrophobicContact CB-CD2 3.7Å
51L95.1Very high94.4Very high0 Ų045.3 Ų45.30%026%0.259CS..Hα-helixtrans-57.1-47.1179.1173.563.3000110.5Y45 G47 E48 S53 I54 I55 I68 R72 I75Y45-L51 HydrophobicContact CE2-CB 4Å; G47-L51 PolarHBondContact O-N 3.36Å; E48-L51 WeakPolarHBondContact O-CB 3.01Å; E48-L51 PolarHBondContact O-N 2.98Å; E48-L51 WeakPolarHBondContact OE2-CD2 3.46Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 2.68Å; L51-I54 PolarHBondContact O-N 3.43Å; L51-I55 HydrophobicContact CD1-CD1 3.82Å; L51-I55 HydrophobicContact CD1-CG1 4.12Å; L51-I55 HydrophobicContact CG-CD1 3.84Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.41Å; L51-I55 PolarHBondContact O-N 3.14Å; L51-I68 HydrophobicContact CD2-CD1 4.11Å; L51-R72 HydrophobicContact CD2-CG 4.27Å; L51-I75 HydrophobicContact CB-CD1 4.5Å; L51-I75 HydrophobicContact CD1-CD1 3.37Å; L51-I75 HydrophobicContact CG-CD1 4.48Å
52N94.7Very high93.9Very high92 Ų9245.6 Ų45.649%0.49226%0.258SS..Hα-helixtrans-59.9-41.8176.2-69.1-35.3000111.8E48 D50 I55 N56E48-N52 PolarHBondContact O-N 2.96Å; E48-N52 VanDerWaalsContact O-N 3.12Å; E48-N52 PolarHBondContact O-ND2 3.27Å; D50-N52 VanDerWaalsContact C-N 3.3Å; D50-N52 PolarHBondContact O-N 3.42Å; N52-I55 PolarHBondContact O-N 3.45Å; N52-N56 WeakPolarHBondContact O-CB 3.36Å; N52-N56 PolarHBondContact O-N 2.96Å; N52-N56 PolarHBondContact O-ND2 3.42Å
53S95.2Very high93Very high40 Ų4049 Ų4928%0.2828%0.282SS..Hα-helixtrans-65.1-42.3177.8-58.80000112.5S49 D50 L51 N56 L57S49-S53 PolarHBondContact O-N 3.36Å; S49-S53 PolarHBondContact O-OG 2.68Å; D50-S53 CarbonylContact O-C 3.57Å; D50-S53 WeakPolarHBondContact O-CA 3.48Å; D50-S53 WeakPolarHBondContact O-CB 3.25Å; D50-S53 PolarHBondContact O-N 3.01Å; L51-S53 VanDerWaalsContact C-N 3.29Å; L51-S53 PolarHBondContact O-N 2.68Å; S53-N56 PolarHBondContact O-N 2.95Å; S53-L57 WeakPolarHBondContact O-CB 3.35Å; S53-L57 PolarHBondContact O-N 2.97Å
54I95.7Very high92.2Very high0 Ų047.6 Ų47.60%028%0.277CS..Hα-helixtrans-61.8-49.3176.4-70.5168.2000110.4Y45 D50 L51 N56 L57 I58 Y71 I75 L84 T95 V97Y45-I54 HydrophobicContact CD2-CD1 3.98Å; D50-I54 WeakPolarHBondContact O-CB 3.21Å; D50-I54 WeakPolarHBondContact O-CG1 3.44Å; D50-I54 PolarHBondContact O-N 3Å; L51-I54 PolarHBondContact O-N 3.43Å; I54-N56 PolarHBondContact O-N 3.39Å; I54-L57 PolarHBondContact O-N 3.17Å; I54-I58 HydrophobicContact CG2-CD1 3.6Å; I54-I58 WeakPolarHBondContact O-CB 3.42Å; I54-I58 WeakPolarHBondContact O-CG1 3.33Å; I54-I58 PolarHBondContact O-N 2.84Å; I54-Y71 HydrophobicContact CG2-CD1 4.16Å; I54-Y71 HydrophobicContact CG2-CE1 4.37Å; I54-I75 HydrophobicContact CD1-CD1 4.13Å; I54-L84 HydrophobicContact CD1-CD1 4.21Å; I54-L84 HydrophobicContact CD1-CD2 4.43Å; I54-L84 HydrophobicContact CD1-CG 4.39Å; I54-L84 HydrophobicContact CG1-CD2 4.17Å; I54-L84 HydrophobicContact CG1-CG 4.35Å; I54-T95 HydrophobicContact CG1-CG2 4.39Å; I54-T95 HydrophobicContact CG2-CG2 4.25Å; I54-V97 HydrophobicContact CG2-CG2 3.96Å
55I94.8Very high91.6Very high37 Ų3751.2 Ų51.219%0.1930%0.303CS..Hα-helixtrans-58.6-48.7179-68.9165.5000110.3L51 N52 L57 I58 A59 I68 Y71L51-I55 HydrophobicContact CD1-CD1 3.82Å; L51-I55 HydrophobicContact CD1-CG1 4.12Å; L51-I55 HydrophobicContact CG-CD1 3.84Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.41Å; L51-I55 PolarHBondContact O-N 3.14Å; N52-I55 PolarHBondContact O-N 3.45Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.06Å; I55-I58 PolarHBondContact O-N 2.86Å; I55-A59 VanDerWaalsContact O-CB 3.22Å; I55-A59 WeakPolarHBondContact O-CB 3.18Å; I55-A59 PolarHBondContact O-N 3.41Å; I55-I68 HydrophobicContact CD1-CD1 3.47Å; I55-I68 VanDerWaalsContact CD1-CD1 3.47Å; I55-Y71 HydrophobicContact CD1-CD2 4.38Å; I55-Y71 HydrophobicContact CG1-CD1 4.06Å; I55-Y71 HydrophobicContact CG1-CD2 3.82Å; I55-Y71 HydrophobicContact CG1-CE1 4.16Å; I55-Y71 HydrophobicContact CG1-CE2 3.92Å; I55-Y71 HydrophobicContact CG1-CG 3.88Å; I55-Y71 HydrophobicContact CG2-CE2 4.49Å
56N93.6Very high91.2Very high103 Ų10351.9 Ų51.955%0.55131%0.305SS*.Hα-helixtrans-61.8-42.5-179.5-73.2-22000111.9N52 S53 I54 N60N52-N56 WeakPolarHBondContact O-CB 3.36Å; N52-N56 PolarHBondContact O-N 2.96Å; N52-N56 PolarHBondContact O-ND2 3.42Å; S53-N56 PolarHBondContact O-N 2.95Å; I54-N56 PolarHBondContact O-N 3.39Å; N56-N60 WeakPolarHBondContact O-CB 3.48Å; N56-N60 VanDerWaalsContact O-CG 3.27Å; N56-N60 PolarHBondContact O-N 3.12Å; N56-N60 PolarHBondContact O-ND2 3.01Å
57L95.1Very high91Very high17 Ų1749 Ų499%0.08929%0.293CS..Hα-helixtrans-68.5-43.2-179.4-171.264.1000111.9S53 I54 I55 N60 D61 T95 A116 E118S53-L57 WeakPolarHBondContact O-CB 3.35Å; S53-L57 PolarHBondContact O-N 2.97Å; I54-L57 PolarHBondContact O-N 3.17Å; I55-L57 VanDerWaalsContact C-N 3.34Å; I55-L57 PolarHBondContact O-N 3.06Å; L57-N60 PolarHBondContact O-N 2.83Å; L57-D61 PolarHBondContact O-N 2.87Å; L57-T95 HydrophobicContact CD2-CG2 3.94Å; L57-A116 HydrophobicContact CD2-CB 4.25Å; L57-A116 HydrophobicContact CG-CB 3.91Å; L57-E118 HydrophobicContact CD1-CB 3.92Å; L57-E118 HydrophobicContact CD1-CG 4.45Å
58I94.5Very high90.9Very high1 Ų151.3 Ų51.31%0.00530%0.299CS..Hα-helixtrans-70-43.8-179-73.3169000111.5I54 I55 N60 D61 L62 Y66 Y71 T95 V97 M114 A116I54-I58 HydrophobicContact CG2-CD1 3.6Å; I54-I58 WeakPolarHBondContact O-CB 3.42Å; I54-I58 WeakPolarHBondContact O-CG1 3.33Å; I54-I58 PolarHBondContact O-N 2.84Å; I55-I58 PolarHBondContact O-N 2.86Å; I58-N60 PolarHBondContact O-N 2.84Å; I58-D61 PolarHBondContact O-N 3.28Å; I58-D61 VanDerWaalsContact O-N 3.08Å; I58-L62 HydrophobicContact CG2-CB 4.3Å; I58-L62 HydrophobicContact CG2-CD1 3.88Å; I58-L62 HydrophobicContact CG2-CG 4.15Å; I58-L62 PolarHBondContact O-N 3.27Å; I58-Y66 HydrophobicContact CG2-CD2 3.97Å; I58-Y66 HydrophobicContact CG2-CE2 4.23Å; I58-Y71 HydrophobicContact CB-CE1 4.21Å; I58-Y71 HydrophobicContact CD1-CE1 3.8Å; I58-Y71 HydrophobicContact CG2-CE1 4.13Å; I58-Y71 WeakPolarHBondContact CG2-OH 3.47Å; I58-T95 HydrophobicContact CD1-CG2 4Å; I58-T95 HydrophobicContact CG1-CG2 4.01Å; I58-V97 HydrophobicContact CD1-CG2 4.14Å; I58-M114 HydrophobicContact CD1-CB 3.63Å; I58-M114 HydrophobicContact CD1-CG 4.13Å; I58-M114 HydrophobicContact CD1-SD 3.63Å; I58-M114 HydrophobicContact CG1-CB 4.31Å; I58-M114 HydrophobicContact CG2-SD 4.31Å; I58-A116 HydrophobicContact CG1-CB 3.99Å
59A91.6Very high90.8Very high68 Ų6852.5 Ų52.556%0.56230%0.301SS*.Hα-helixtrans-60.9-27.7177.800000112.9I55I55-A59 VanDerWaalsContact O-CB 3.22Å; I55-A59 WeakPolarHBondContact O-CB 3.18Å; I55-A59 PolarHBondContact O-N 3.41Å
60N90.7Very high90.8Very high144 Ų14448.8 Ų48.877%0.7728%0.275SS*.Hα-helixtrans-84.3-17.9177.4-75.2-34.3000114N56 L57 I58N56-N60 WeakPolarHBondContact O-CB 3.48Å; N56-N60 VanDerWaalsContact O-CG 3.27Å; N56-N60 PolarHBondContact O-N 3.12Å; N56-N60 PolarHBondContact O-ND2 3.01Å; L57-N60 PolarHBondContact O-N 2.83Å; I58-N60 PolarHBondContact O-N 2.84Å
61D88.1Confident90.7Very high54 Ų5449 Ų4929%0.28928%0.275SS..Hα-helixtrans-115.1-32.3-172.1-159.527.2000114.3L57 I58 A116 V117 R122L57-D61 PolarHBondContact O-N 2.87Å; I58-D61 PolarHBondContact O-N 3.28Å; I58-D61 VanDerWaalsContact O-N 3.08Å; D61-A116 HydrophobicContact CB-CB 3.88Å; D61-A116 WeakPolarHBondContact OD2-CA 3.22Å; D61-V117 PolarHBondContact OD2-N 2.84Å; D61-R122 IonicContact OD1-CZ 2.68Å; D61-R122 VanDerWaalsContact OD1-CZ 3.27Å; D61-R122 IonicContact OD1-NH1 3.99Å; D61-R122 PolarHBondContact OD1-NH1 3.15Å; D61-R122 IonicContact OD1-NH2 3.62Å; D61-R122 PolarHBondContact OD1-NH2 3.45Å; D61-R122 IonicContact OD2-CZ 3.06Å; D61-R122 IonicContact OD2-NH2 3.27Å; D61-R122 PolarHBondContact OD2-NH2 3.09Å
62L87.5Confident90.6Very high53 Ų5351.8 Ų51.828%0.27729%0.286SS..  trans-101.1147.3-175.9-57.8-169000112I58 Y66 M114I58-L62 HydrophobicContact CG2-CB 4.3Å; I58-L62 HydrophobicContact CG2-CD1 3.88Å; I58-L62 HydrophobicContact CG2-CG 4.15Å; I58-L62 PolarHBondContact O-N 3.27Å; L62-Y66 HydrophobicContact CD1-CE2 4.16Å; L62-M114 HydrophobicContact CD1-CB 4.06Å; L62-M114 HydrophobicContact CD1-CG 4.2Å
63S78.1Confident90.5Very high72 Ų7249.9 Ų49.950%0.50327%0.272SS..SBendtrans-77.3-19.9-178.150.50000113.9E151S63-E151 PolarHBondContact OG-OE1 3.47Å
64E80.5Confident90.5Very high12 Ų1248 Ų486%0.05626%0.259CS..SBendtrans-94.4128.1-173.1-70.2-65155.100111.8V5 Y66 Y176 L177V5-E64 HydrophobicContact CG2-CB 4.31Å; V5-E64 HydrophobicContact CG2-CG 4.23Å; V5-E64 WeakPolarHBondContact CG2-OE2 3.25Å; E64-Y66 HydrophobicContact CB-CE1 4.39Å; E64-Y66 HydrophobicContact CB-CE2 4.15Å; E64-Y66 WeakPolarHBondContact O-CD2 3.38Å; E64-Y66 PolarHBondContact O-N 2.92Å; E64-Y176 HydrophobicContact CG-CD1 3.76Å; E64-Y176 HydrophobicContact CG-CE1 4.28Å; E64-Y176 WeakPolarHBondContact OE1-CA 3.44Å; E64-Y176 WeakPolarHBondContact OE1-CB 3.14Å; E64-Y176 WeakPolarHBondContact OE1-CD1 3.15Å; E64-L177 PolarHBondContact OE1-N 2.84Å; E64-L177 WeakPolarHBondContact OE2-CD1 3.33Å; E64-L177 WeakPolarHBondContact OE2-CG 3.42Å
65P84.3Confident90.4Very high98 Ų9848.1 Ų48.164%0.63626%0.26SS*.  trans-78.4109.3176.831.3-32.5000110.5L177P65-L177 HydrophobicContact CG-CD1 4.37Å
66Y87.8Confident90.3Very high32 Ų3252.8 Ų52.813%0.12528%0.276CS..  trans-92.2134.7172.6-60.1-68.1000111.4D4 V5 I58 L62 E64 T70 M114D4-Y66 HydrophobicContact CB-CE1 3.72Å; V5-Y66 HydrophobicContact CG2-CE1 4.32Å; I58-Y66 HydrophobicContact CG2-CD2 3.97Å; I58-Y66 HydrophobicContact CG2-CE2 4.23Å; L62-Y66 HydrophobicContact CD1-CE2 4.16Å; E64-Y66 HydrophobicContact CB-CE1 4.39Å; E64-Y66 HydrophobicContact CB-CE2 4.15Å; E64-Y66 WeakPolarHBondContact O-CD2 3.38Å; E64-Y66 PolarHBondContact O-N 2.92Å; Y66-T70 HydrophobicContact CD1-CG2 3.99Å; Y66-M114 HydrophobicContact CD1-CE 3.64Å; Y66-M114 HydrophobicContact CD2-CE 3.73Å; Y66-M114 HydrophobicContact CD2-CG 4.49Å; Y66-M114 HydrophobicContact CD2-SD 3.99Å; Y66-M114 HydrophobicContact CE1-CE 3.75Å; Y66-M114 HydrophobicContact CE2-CE 3.84Å; Y66-M114 HydrophobicContact CE2-CG 3.96Å; Y66-M114 HydrophobicContact CE2-SD 4.06Å; Y66-M114 HydrophobicContact CG-CE 3.62Å; Y66-M114 HydrophobicContact CG-SD 4.42Å
67S89.5Confident90.2Very high23 Ų2352.2 Ų52.216%0.16127%0.273CS..  trans-73.7155.7170.568.70000111.7S8 N12 Y69 T70 Y71S8-S67 PolarHBondContact OG-OG 3.43Å; N12-S67 WeakPolarHBondContact OD1-CB 3.42Å; N12-S67 PolarHBondContact OD1-OG 2.87Å; S67-Y69 PolarHBondContact O-N 3.32Å; S67-Y69 VanDerWaalsContact O-N 3.12Å; S67-T70 VanDerWaalsContact O-CB 3.26Å; S67-T70 WeakPolarHBondContact O-CB 3.49Å; S67-T70 PolarHBondContact O-N 3.02Å; S67-T70 PolarHBondContact O-OG1 2.99Å; S67-T70 PolarHBondContact OG-OG1 2.97Å; S67-T70 VanDerWaalsContact OG-OG1 3.04Å; S67-Y71 VanDerWaalsContact O-CD2 3.25Å; S67-Y71 WeakPolarHBondContact O-CD2 3.39Å; S67-Y71 PolarHBondContact O-N 2.77Å
68I90.7Very high90.2Very high68 Ų6853.3 Ų53.335%0.34928%0.276SS..Hα-helixtrans-51.3-35.6173.2-175.259.6000112.6L51 I55 T70 Y71 R72L51-I68 HydrophobicContact CD2-CD1 4.11Å; I55-I68 HydrophobicContact CD1-CD1 3.47Å; I55-I68 VanDerWaalsContact CD1-CD1 3.47Å; I68-T70 PolarHBondContact O-N 2.95Å; I68-Y71 PolarHBondContact O-N 3.11Å; I68-R72 HydrophobicContact CD1-CG 4.31Å; I68-R72 HydrophobicContact CG1-CG 4.3Å; I68-R72 WeakPolarHBondContact O-CG 3.43Å; I68-R72 PolarHBondContact O-N 2.82Å
69Y91.5Very high90.2Very high106 Ų10654.8 Ų54.842%0.41629%0.285SS..Hα-helixtrans-62.2-32.7177.4-58.2-66000112.8L16 S67 Y73L16-Y69 HydrophobicContact CD1-CD1 3.71Å; L16-Y69 HydrophobicContact CD1-CE1 4.42Å; S67-Y69 PolarHBondContact O-N 3.32Å; S67-Y69 VanDerWaalsContact O-N 3.12Å; Y69-Y73 VanDerWaalsContact O-CB 3.26Å; Y69-Y73 WeakPolarHBondContact O-CB 3.41Å; Y69-Y73 PolarHBondContact O-N 3.42Å
70T92Very high90.4Very high0 Ų057.8 Ų57.80%029%0.286CS..Hα-helixtrans-67.2-51177.8-45.40000109.7S8 Y66 S67 I68 R72 Y73 F74 M114S8-T70 WeakPolarHBondContact CA-OG1 3.24Å; S8-T70 WeakPolarHBondContact CB-OG1 3.37Å; S8-T70 PolarHBondContact OG-OG1 2.84Å; Y66-T70 HydrophobicContact CD1-CG2 3.99Å; S67-T70 VanDerWaalsContact O-CB 3.26Å; S67-T70 WeakPolarHBondContact O-CB 3.49Å; S67-T70 PolarHBondContact O-N 3.02Å; S67-T70 PolarHBondContact O-OG1 2.99Å; S67-T70 PolarHBondContact OG-OG1 2.97Å; S67-T70 VanDerWaalsContact OG-OG1 3.04Å; I68-T70 PolarHBondContact O-N 2.95Å; T70-R72 PolarHBondContact O-N 3.18Å; T70-Y73 WeakPolarHBondContact O-CB 3.39Å; T70-Y73 PolarHBondContact O-N 2.97Å; T70-F74 HydrophobicContact CG2-CD2 4.3Å; T70-F74 HydrophobicContact CG2-CE2 4.05Å; T70-F74 VanDerWaalsContact O-CD2 3.26Å; T70-F74 WeakPolarHBondContact O-CD2 3.42Å; T70-F74 PolarHBondContact O-N 3.41Å; T70-M114 HydrophobicContact CG2-CE 4Å
71Y93Very high90.7Very high8 Ų851.7 Ų51.73%0.03125%0.253CS..Hα-helixtrans-58.4-48.3176.5-61.8-81.7000111.8I54 I55 I58 S67 I68 Y73 F74 I75 M114I54-Y71 HydrophobicContact CG2-CD1 4.16Å; I54-Y71 HydrophobicContact CG2-CE1 4.37Å; I55-Y71 HydrophobicContact CD1-CD2 4.38Å; I55-Y71 HydrophobicContact CG1-CD1 4.06Å; I55-Y71 HydrophobicContact CG1-CD2 3.82Å; I55-Y71 HydrophobicContact CG1-CE1 4.16Å; I55-Y71 HydrophobicContact CG1-CE2 3.92Å; I55-Y71 HydrophobicContact CG1-CG 3.88Å; I55-Y71 HydrophobicContact CG2-CE2 4.49Å; I58-Y71 HydrophobicContact CB-CE1 4.21Å; I58-Y71 HydrophobicContact CD1-CE1 3.8Å; I58-Y71 HydrophobicContact CG2-CE1 4.13Å; I58-Y71 WeakPolarHBondContact CG2-OH 3.47Å; S67-Y71 VanDerWaalsContact O-CD2 3.25Å; S67-Y71 WeakPolarHBondContact O-CD2 3.39Å; S67-Y71 PolarHBondContact O-N 2.77Å; I68-Y71 PolarHBondContact O-N 3.11Å; Y71-Y73 VanDerWaalsContact C-N 3.31Å; Y71-Y73 PolarHBondContact O-N 3.05Å; Y71-F74 PolarHBondContact O-N 3.31Å; Y71-I75 WeakPolarHBondContact O-CB 3.26Å; Y71-I75 PolarHBondContact O-N 2.83Å; Y71-M114 HydrophobicContact CD1-SD 4.16Å; Y71-M114 HydrophobicContact CE1-SD 3.81Å
72R94Very high91.1Very high60 Ų6049.1 Ų49.123%0.22624%0.239CC..Hα-helixtrans-61.6-38.3178.9-72.2-171-179.5-67.8-6.7112.3E48 L51 I68 T70 I75 Y76E48-R72 IonicContact OE1-CZ 2.75Å; E48-R72 IonicContact OE1-NH1 2.74Å; E48-R72 PolarHBondContact OE1-NH1 3.35Å; E48-R72 IonicContact OE1-NH2 3.64Å; E48-R72 IonicContact OE2-CZ 2.91Å; E48-R72 IonicContact OE2-NH1 3.6Å; E48-R72 PolarHBondContact OE2-NH1 3.03Å; E48-R72 IonicContact OE2-NH2 3.22Å; E48-R72 PolarHBondContact OE2-NH2 3.37Å; L51-R72 HydrophobicContact CD2-CG 4.27Å; I68-R72 HydrophobicContact CD1-CG 4.31Å; I68-R72 HydrophobicContact CG1-CG 4.3Å; I68-R72 WeakPolarHBondContact O-CG 3.43Å; I68-R72 PolarHBondContact O-N 2.82Å; T70-R72 PolarHBondContact O-N 3.18Å; R72-I75 PolarHBondContact O-N 2.88Å; R72-Y76 HydrophobicContact CB-CD2 4.13Å; R72-Y76 HydrophobicContact CB-CE2 3.98Å; R72-Y76 HydrophobicContact CG-CE2 4.27Å; R72-Y76 PolarHBondContact NH1-OH 2.79Å; R72-Y76 WeakPolarHBondContact O-CB 3.41Å; R72-Y76 WeakPolarHBondContact O-CD2 3.49Å; R72-Y76 PolarHBondContact O-N 2.68Å
73Y93.4Very high91.6Very high52 Ų5246.6 Ų46.620%0.20423%0.226CC..Hα-helixtrans-59.5-48.6175.1173.5-91.8000111.8L7 L11 Y69 T70 Y71 N77 W78 E101L7-Y73 HydrophobicContact CD1-CD1 4.37Å; L7-Y73 HydrophobicContact CD1-CE1 4.02Å; L7-Y73 HydrophobicContact CD1-CE2 4.37Å; L7-Y73 HydrophobicContact CD2-CD1 3.41Å; L7-Y73 VanDerWaalsContact CD2-CD1 3.41Å; L7-Y73 HydrophobicContact CD2-CE1 3.34Å; L7-Y73 HydrophobicContact CD2-CG 4.25Å; L7-Y73 HydrophobicContact CG-CD1 4.31Å; L7-Y73 HydrophobicContact CG-CE1 4.25Å; L11-Y73 HydrophobicContact CD1-CD2 4.19Å; L11-Y73 HydrophobicContact CD1-CG 3.88Å; L11-Y73 HydrophobicContact CD2-CD2 4.32Å; Y69-Y73 VanDerWaalsContact O-CB 3.26Å; Y69-Y73 WeakPolarHBondContact O-CB 3.41Å; Y69-Y73 PolarHBondContact O-N 3.42Å; T70-Y73 WeakPolarHBondContact O-CB 3.39Å; T70-Y73 PolarHBondContact O-N 2.97Å; Y71-Y73 VanDerWaalsContact C-N 3.31Å; Y71-Y73 PolarHBondContact O-N 3.05Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.06Å; Y73-N77 WeakPolarHBondContact O-CB 3.29Å; Y73-N77 PolarHBondContact O-N 3.3Å; Y73-N77 PolarHBondContact O-ND2 2.92Å; Y73-W78 AromaticContact CD1-CZ3 3.95Å; Y73-W78 HydrophobicContact CD1-CZ3 3.95Å; Y73-W78 AromaticContact CE1-CH2 3.74Å; Y73-W78 HydrophobicContact CE1-CH2 3.74Å; Y73-W78 AromaticContact CE1-CZ3 3.45Å; Y73-W78 HydrophobicContact CE1-CZ3 3.45Å; Y73-W78 VanDerWaalsContact CE1-CZ3 3.45Å; Y73-W78 AromaticContact CZ-CH2 3.79Å; Y73-W78 AromaticContact CZ-CZ3 3.92Å; Y73-E101 PolarHBondContact OH-OE1 2.91Å
74F94.6Very high92.6Very high0 Ų043.1 Ų43.10%020%0.202CC..Hα-helixtrans-63.6-49.9177.4-79.7-80.8000112.3D4 L7 T70 Y71 Y76 N77 W78 V97 K99 A113 M114D4-F74 WeakPolarHBondContact OD1-CZ 3.5Å; L7-F74 HydrophobicContact CD2-CE2 3.92Å; L7-F74 HydrophobicContact CD2-CZ 4.12Å; T70-F74 HydrophobicContact CG2-CD2 4.3Å; T70-F74 HydrophobicContact CG2-CE2 4.05Å; T70-F74 VanDerWaalsContact O-CD2 3.26Å; T70-F74 WeakPolarHBondContact O-CD2 3.42Å; T70-F74 PolarHBondContact O-N 3.41Å; Y71-F74 PolarHBondContact O-N 3.31Å; F74-Y76 PolarHBondContact O-N 2.84Å; F74-N77 PolarHBondContact O-N 2.75Å; F74-W78 HydrophobicContact CD1-CE3 4.29Å; F74-W78 HydrophobicContact CD1-CZ3 4.43Å; F74-W78 CarbonylContact O-C 3.6Å; F74-W78 WeakPolarHBondContact O-CA 3.43Å; F74-W78 PolarHBondContact O-N 3.3Å; F74-V97 HydrophobicContact CB-CG1 3.44Å; F74-V97 VanDerWaalsContact CB-CG1 3.44Å; F74-V97 HydrophobicContact CD1-CG1 3.99Å; F74-V97 HydrophobicContact CD2-CG1 4.29Å; F74-V97 HydrophobicContact CG-CG1 3.65Å; F74-K99 HydrophobicContact CD1-CB 3.89Å; F74-K99 HydrophobicContact CD1-CG 4.39Å; F74-K99 HydrophobicContact CE1-CB 3.73Å; F74-K99 HydrophobicContact CE1-CD 3.74Å; F74-K99 HydrophobicContact CE1-CG 3.72Å; F74-K99 HydrophobicContact CZ-CD 4.32Å; F74-A113 HydrophobicContact CD1-CB 4.34Å; F74-A113 HydrophobicContact CE1-CB 3.67Å; F74-A113 HydrophobicContact CE2-CB 4.08Å; F74-A113 HydrophobicContact CZ-CB 3.56Å; F74-M114 HydrophobicContact CD2-CE 4.45Å; F74-M114 HydrophobicContact CE2-CE 4.37Å
75I92.9Very high93.4Very high3 Ų342.6 Ų42.62%0.01520%0.199CC..Hα-helixtrans-67.3-37-173.6-75.7162.5000112Y45 L51 I54 Y71 R72 P79 C82Y45-I75 HydrophobicContact CD1-CG2 3.81Å; Y45-I75 HydrophobicContact CD2-CD1 4.32Å; Y45-I75 HydrophobicContact CD2-CG1 4.45Å; Y45-I75 HydrophobicContact CD2-CG2 4.15Å; Y45-I75 HydrophobicContact CE1-CG2 3.39Å; Y45-I75 HydrophobicContact CE2-CD1 4.1Å; Y45-I75 HydrophobicContact CE2-CG1 4.49Å; Y45-I75 HydrophobicContact CE2-CG2 3.76Å; Y45-I75 HydrophobicContact CG-CG2 4.17Å; L51-I75 HydrophobicContact CB-CD1 4.5Å; L51-I75 HydrophobicContact CD1-CD1 3.37Å; L51-I75 HydrophobicContact CG-CD1 4.48Å; I54-I75 HydrophobicContact CD1-CD1 4.13Å; Y71-I75 WeakPolarHBondContact O-CB 3.26Å; Y71-I75 PolarHBondContact O-N 2.83Å; R72-I75 PolarHBondContact O-N 2.88Å; I75-P79 VanDerWaalsContact O-CA 3.26Å; I75-P79 WeakPolarHBondContact O-CA 3.49Å; I75-P79 VanDerWaalsContact O-CB 3.24Å; I75-P79 WeakPolarHBondContact O-CB 3.33Å; I75-P79 WeakPolarHBondContact O-CD 3.44Å; I75-P79 VanDerWaalsContact O-N 3.15Å; I75-C82 HydrophobicContact CG1-CB 4.35Å
76Y92.2Very high94.1Very high135 Ų13538.3 Ų38.353%0.52917%0.171SC..Hα-helixtrans-77-35179.5-67.3-20.6000113.2R72 F74R72-Y76 HydrophobicContact CB-CD2 4.13Å; R72-Y76 HydrophobicContact CB-CE2 3.98Å; R72-Y76 HydrophobicContact CG-CE2 4.27Å; R72-Y76 PolarHBondContact NH1-OH 2.79Å; R72-Y76 WeakPolarHBondContact O-CB 3.41Å; R72-Y76 WeakPolarHBondContact O-CD2 3.49Å; R72-Y76 PolarHBondContact O-N 2.68Å; F74-Y76 PolarHBondContact O-N 2.84Å
77N93.2Very high94.5Very high91 Ų9137.6 Ų37.649%0.48717%0.171SC..Hα-helixtrans-85.7-31-179.4-68.4-76.9000112.5Y73 F74Y73-N77 WeakPolarHBondContact CD2-ND2 3.06Å; Y73-N77 WeakPolarHBondContact O-CB 3.29Å; Y73-N77 PolarHBondContact O-N 3.3Å; Y73-N77 PolarHBondContact O-ND2 2.92Å; F74-N77 PolarHBondContact O-N 2.75Å
78W95.3Very high94.7Very high39 Ų3943.4 Ų43.415%0.14820%0.196CC..  trans-137.357.4-178.8-52.8-85.6000113Y73 F74 K80 L81 C82 K99 M100 E101Y73-W78 AromaticContact CD1-CZ3 3.95Å; Y73-W78 HydrophobicContact CD1-CZ3 3.95Å; Y73-W78 AromaticContact CE1-CH2 3.74Å; Y73-W78 HydrophobicContact CE1-CH2 3.74Å; Y73-W78 AromaticContact CE1-CZ3 3.45Å; Y73-W78 HydrophobicContact CE1-CZ3 3.45Å; Y73-W78 VanDerWaalsContact CE1-CZ3 3.45Å; Y73-W78 AromaticContact CZ-CH2 3.79Å; Y73-W78 AromaticContact CZ-CZ3 3.92Å; F74-W78 HydrophobicContact CD1-CE3 4.29Å; F74-W78 HydrophobicContact CD1-CZ3 4.43Å; F74-W78 CarbonylContact O-C 3.6Å; F74-W78 WeakPolarHBondContact O-CA 3.43Å; F74-W78 PolarHBondContact O-N 3.3Å; W78-K80 PolarHBondContact O-N 3.27Å; W78-K80 VanDerWaalsContact O-N 3.14Å; W78-L81 HydrophobicContact CB-CB 4.13Å; W78-L81 HydrophobicContact CB-CD1 4.24Å; W78-L81 HydrophobicContact CB-CG 4.38Å; W78-L81 HydrophobicContact CG-CD1 4.43Å; W78-L81 PolarHBondContact O-N 3.2Å; W78-C82 PolarHBondContact O-N 2.99Å; W78-C82 PolarHBondContact O-SG 2.84Å; W78-K99 HydrophobicContact CD2-CB 3.45Å; W78-K99 VanDerWaalsContact CD2-CB 3.45Å; W78-K99 HydrophobicContact CE3-CB 3.33Å; W78-K99 HydrophobicContact CG-CB 4.11Å; W78-K99 HydrophobicContact CH2-CB 3.9Å; W78-K99 HydrophobicContact CH2-CD 4Å; W78-K99 HydrophobicContact CZ2-CB 4Å; W78-K99 HydrophobicContact CZ3-CB 3.56Å; W78-K99 HydrophobicContact CZ3-CD 4.1Å; W78-K99 HydrophobicContact CZ3-CG 4.5Å; W78-M100 PolarHBondContact NE1-O 2.99Å; W78-E101 HydrophobicContact CH2-CG 4.16Å; W78-E101 WeakPolarHBondContact CH2-OE1 3.37Å; W78-E101 HydrophobicContact CZ2-CG 3.47Å; W78-E101 VanDerWaalsContact CZ2-CG 3.47Å; W78-E101 WeakPolarHBondContact CZ2-OE1 3.1Å
79P94.3Very high94.9Very high32 Ų3245.6 Ų45.621%0.20821%0.208CC..G310 helixtrans-58.3-34.1-179.822.5-31.6000111.8Y45 I75 L81 C82Y45-P79 HydrophobicContact CD1-CB 4.39Å; I75-P79 VanDerWaalsContact O-CA 3.26Å; I75-P79 WeakPolarHBondContact O-CA 3.49Å; I75-P79 VanDerWaalsContact O-CB 3.24Å; I75-P79 WeakPolarHBondContact O-CB 3.33Å; I75-P79 WeakPolarHBondContact O-CD 3.44Å; I75-P79 VanDerWaalsContact O-N 3.15Å; P79-L81 PolarHBondContact O-N 2.83Å; P79-C82 PolarHBondContact O-N 2.78Å; P79-C82 VanDerWaalsContact O-N 3.16Å
80K94.1Very high94.9Very high132 Ų13246.5 Ų46.557%0.57422%0.22SC*.G310 helixtrans-62.4-26.6177.3-69.9-177.5-178.3-179.30113.7F26 Q44 W78 L137F26-K80 HydrophobicContact CD2-CG 3.88Å; F26-K80 HydrophobicContact CE2-CG 3.59Å; Q44-K80 PolarHBondContact NE2-O 3.17Å; W78-K80 PolarHBondContact O-N 3.27Å; W78-K80 VanDerWaalsContact O-N 3.14Å; K80-L137 WeakPolarHBondContact O-CD1 3.42Å
81L97Very high95.1Very high15 Ų1549.5 Ų49.58%0.07924%0.239CC..G310 helixtrans-100.711-178.9-59.2179.7000112.4W78 P79 C98 M100 L137 M138W78-L81 HydrophobicContact CB-CB 4.13Å; W78-L81 HydrophobicContact CB-CD1 4.24Å; W78-L81 HydrophobicContact CB-CG 4.38Å; W78-L81 HydrophobicContact CG-CD1 4.43Å; W78-L81 PolarHBondContact O-N 3.2Å; P79-L81 PolarHBondContact O-N 2.83Å; L81-C98 HydrophobicContact CB-CB 3.99Å; L81-C98 WeakPolarHBondContact O-CB 3.41Å; L81-C98 PolarHBondContact O-N 2.87Å; L81-M100 HydrophobicContact CD1-CB 3.74Å; L81-L137 HydrophobicContact CD2-CB 3.87Å; L81-M138 HydrophobicContact CD1-CE 4.4Å; L81-M138 HydrophobicContact CD1-CG 4.42Å; L81-M138 HydrophobicContact CD2-CG 4.05Å
82C97.2Very high95.3Very high0 Ų049.9 Ų49.90%024%0.243CC..EExtended strand (participates in β ladder)trans-104.5111.2170.2-62.30000108.5Y45 I75 W78 P79 I96Y45-C82 PolarHBondContact N-O 3.05Å; I75-C82 HydrophobicContact CG1-CB 4.35Å; W78-C82 PolarHBondContact O-N 2.99Å; W78-C82 PolarHBondContact O-SG 2.84Å; P79-C82 PolarHBondContact O-N 2.78Å; P79-C82 VanDerWaalsContact O-N 3.16Å; C82-I96 WeakPolarHBondContact CA-O 3.36Å
83L98.1Very high95.5Very high0 Ų047.1 Ų47.10%023%0.232CC..EExtended strand (participates in β ladder)trans-116.3148.9-175.5-39.3178.4000111.1L32 R43 Q44 T95 I96 L130 L133 A134 L137L32-L83 HydrophobicContact CD1-CD1 4.06Å; L32-L83 HydrophobicContact CD1-CD2 3.67Å; L32-L83 HydrophobicContact CD1-CG 4.44Å; R43-L83 WeakPolarHBondContact O-CA 3.42Å; Q44-L83 HydrophobicContact CB-CD2 4.37Å; Q44-L83 HydrophobicContact CG-CD2 3.64Å; L83-T95 VanDerWaalsContact O-CA 3.25Å; L83-T95 WeakPolarHBondContact O-CA 3.46Å; L83-T95 PolarHBondContact O-OG1 3Å; L83-I96 HydrophobicContact CB-CG2 3.73Å; L83-I96 HydrophobicContact CD1-CG2 4.03Å; L83-I96 HydrophobicContact CG-CG2 3.86Å; L83-I96 PolarHBondContact N-O 2.83Å; L83-I96 PolarHBondContact O-N 2.98Å; L83-L130 HydrophobicContact CB-CD2 3.99Å; L83-L133 HydrophobicContact CD1-CB 3.68Å; L83-A134 HydrophobicContact CD1-CB 4.18Å; L83-L137 HydrophobicContact CD1-CD1 4.17Å; L83-L137 HydrophobicContact CD2-CD1 3.73Å
84L98.3Very high95.7Very high0 Ų044.6 Ų44.60%022%0.222CC..EExtended strand (participates in β ladder)trans-124.3144.9176.7-63.189.2000109.8F42 R43 D50 I54 V86 C92 G94F42-L84 CarbonylContact C-O 3.51Å; F42-L84 VanDerWaalsContact CA-O 3.29Å; F42-L84 WeakPolarHBondContact CA-O 3.47Å; R43-L84 PolarHBondContact N-O 2.99Å; R43-L84 PolarHBondContact O-N 3.21Å; D50-L84 HydrophobicContact CB-CD1 4.17Å; D50-L84 HydrophobicContact CB-CD2 3.7Å; I54-L84 HydrophobicContact CD1-CD1 4.21Å; I54-L84 HydrophobicContact CD1-CD2 4.43Å; I54-L84 HydrophobicContact CD1-CG 4.39Å; I54-L84 HydrophobicContact CG1-CD2 4.17Å; I54-L84 HydrophobicContact CG1-CG 4.35Å; L84-V86 HydrophobicContact CB-CG2 3.92Å; L84-C92 HydrophobicContact CD2-CB 4.33Å; L84-G94 CarbonylContact C-O 3.56Å; L84-G94 WeakPolarHBondContact CA-O 3.3Å
85A98.5Very high95.9Very high0 Ų044.6 Ų44.60%022%0.222CC..EExtended strand (participates in β ladder)trans-104.5116.2163.800000107.2I40 F42 V93 G94 I126 L130I40-A85 HydrophobicContact CG2-CB 3.74Å; F42-A85 HydrophobicContact CD1-CB 3.91Å; F42-A85 HydrophobicContact CE1-CB 3.72Å; F42-A85 HydrophobicContact CZ-CB 4.22Å; A85-V93 HydrophobicContact CB-CG2 4.23Å; A85-V93 WeakPolarHBondContact O-CG2 3.23Å; A85-V93 PolarHBondContact O-N 3.11Å; A85-G94 PolarHBondContact N-O 3.44Å; A85-G94 PolarHBondContact O-N 2.99Å; A85-I126 HydrophobicContact CB-CG2 3.63Å; A85-L130 HydrophobicContact CB-CD1 4.46Å; A85-L130 HydrophobicContact CB-CD2 4.4Å
86V98Very high96.2Very high8 Ų844.5 Ų44.55%0.04822%0.222CC..EExtended strand (participates in β ladder)trans-119.7128.5-172-174.40000109I40 T41 R43 L84 T91I40-V86 WeakPolarHBondContact CA-O 3.34Å; T41-V86 PolarHBondContact N-O 2.95Å; T41-V86 PolarHBondContact O-N 3.07Å; R43-V86 HydrophobicContact CG-CG2 4.45Å; L84-V86 HydrophobicContact CB-CG2 3.92Å; V86-T91 WeakPolarHBondContact CA-O 3.46Å
87S96.8Very high96.4Very high17 Ų1738 Ų3812%0.11920%0.196CC..EExtended strand (participates in β ladder)trans-77171.1176.745.80000112.4D89 D90 T91S87-D89 WeakPolarHBondContact CB-OD1 3.29Å; S87-D89 PolarHBondContact O-N 2.6Å; S87-D89 PolarHBondContact OG-OD1 3.38Å; S87-D90 PolarHBondContact O-N 3.38Å; S87-T91 PolarHBondContact N-O 2.83Å; S87-T91 WeakPolarHBondContact OG-CB 3.4Å; S87-T91 PolarHBondContact OG-O 3.38Å
88E93.8Very high96.6Very high145 Ų14533.7 Ų33.768%0.67817%0.173SC*.THydrogen-bonded Turntrans-59.9-23.2-178.8-171.9170.9-112.900113.9K39 D90K39-E88 HydrophobicContact CB-CB 4.29Å; K39-E88 WeakPolarHBondContact CD-OE2 3.35Å; K39-E88 IonicContact NZ-OE1 3.77Å; K39-E88 IonicContact NZ-OE2 2.74Å; K39-E88 PolarHBondContact NZ-OE2 3.5Å; K39-E88 PolarHBondContact O-N 2.94Å; E88-D90 VanDerWaalsContact C-N 3.33Å
89D94Very high96.7Very high114 Ų11433 Ų3361%0.6117%0.171SC*.THydrogen-bonded Turntrans-90.412.9175.667.5-30.1000114S87 T91S87-D89 WeakPolarHBondContact CB-OD1 3.29Å; S87-D89 PolarHBondContact O-N 2.6Å; S87-D89 PolarHBondContact OG-OD1 3.38Å; D89-T91 PolarHBondContact O-N 3.12Å; D89-T91 PolarHBondContact OD1-OG1 2.91Å; D89-T91 PolarHBondContact OD2-OG1 2.82Å
90D92.7Very high96.7Very high126 Ų12632.4 Ų32.467%0.67417%0.166SC*.SBendtrans66.618.5-179.3-154.235.8000114.7S87 E88S87-D90 PolarHBondContact O-N 3.38Å; E88-D90 VanDerWaalsContact C-N 3.33Å
91T95.5Very high96.7Very high62 Ų6229.7 Ų29.738%0.3816%0.155SC..  trans-82.2129.4174-57.70000110.6V86 S87 D89 V93V86-T91 WeakPolarHBondContact CA-O 3.46Å; S87-T91 PolarHBondContact N-O 2.83Å; S87-T91 WeakPolarHBondContact OG-CB 3.4Å; S87-T91 PolarHBondContact OG-O 3.38Å; D89-T91 PolarHBondContact O-N 3.12Å; D89-T91 PolarHBondContact OD1-OG1 2.91Å; D89-T91 PolarHBondContact OD2-OG1 2.82Å; T91-V93 HydrophobicContact CG2-CG1 4.31Å; T91-V93 PolarHBondContact O-N 2.84Å
92C97.4Very high96.4Very high17 Ų1733.2 Ų33.212%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-73.7111.9169.8-179.80000110.3L84 G94L84-C92 HydrophobicContact CD2-CB 4.33Å; C92-G94 PolarHBondContact SG-O 3.31Å
93V97.9Very high95.9Very high1 Ų137 Ų371%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-106-5.5-178.1-61.80000113I40 A85 T91 E118 H121 I126I40-V93 HydrophobicContact CD1-CG2 3.76Å; I40-V93 HydrophobicContact CG2-CG2 4.43Å; A85-V93 HydrophobicContact CB-CG2 4.23Å; A85-V93 WeakPolarHBondContact O-CG2 3.23Å; A85-V93 PolarHBondContact O-N 3.11Å; T91-V93 HydrophobicContact CG2-CG1 4.31Å; T91-V93 PolarHBondContact O-N 2.84Å; V93-E118 HydrophobicContact CB-CB 4.39Å; V93-E118 WeakPolarHBondContact O-CB 2.88Å; V93-E118 PolarHBondContact O-N 2.96Å; V93-H121 HydrophobicContact CB-CB 4.06Å; V93-I126 HydrophobicContact CG2-CD1 3.88Å
94G98.4Very high95.1Very high0 Ų043.1 Ų43.10%023%0.227CC..EExtended strand (participates in β ladder)trans-162.6146.3178.600000111.7L84 A85 C92 A116L84-G94 CarbonylContact C-O 3.56Å; L84-G94 WeakPolarHBondContact CA-O 3.3Å; A85-G94 PolarHBondContact N-O 3.44Å; A85-G94 PolarHBondContact O-N 2.99Å; C92-G94 PolarHBondContact SG-O 3.31Å; G94-A116 CarbonylContact C-O 3.6Å; G94-A116 WeakPolarHBondContact CA-O 3.32Å
95T98.5Very high94.4Very high0 Ų052 Ų520%027%0.268CS..EExtended strand (participates in β ladder)trans-147.3150.2172.6-168.80000112.1I54 L57 I58 L83 L115 A116I54-T95 HydrophobicContact CG1-CG2 4.39Å; I54-T95 HydrophobicContact CG2-CG2 4.25Å; L57-T95 HydrophobicContact CD2-CG2 3.94Å; I58-T95 HydrophobicContact CD1-CG2 4Å; I58-T95 HydrophobicContact CG1-CG2 4.01Å; L83-T95 VanDerWaalsContact O-CA 3.25Å; L83-T95 WeakPolarHBondContact O-CA 3.46Å; L83-T95 PolarHBondContact O-OG1 3Å; T95-L115 WeakPolarHBondContact O-CA 3.18Å; T95-A116 HydrophobicContact CG2-CB 4.42Å; T95-A116 PolarHBondContact N-O 3.31Å; T95-A116 PolarHBondContact O-N 3.23Å
96I98.4Very high93.9Very high0 Ų058.5 Ų58.50%030%0.304CS..EExtended strand (participates in β ladder)trans-129.3133.5166.3-166.4178.1000108.9C82 L83 I112 M114 L115 L130 V131 A134C82-I96 WeakPolarHBondContact CA-O 3.36Å; L83-I96 HydrophobicContact CB-CG2 3.73Å; L83-I96 HydrophobicContact CD1-CG2 4.03Å; L83-I96 HydrophobicContact CG-CG2 3.86Å; L83-I96 PolarHBondContact N-O 2.83Å; L83-I96 PolarHBondContact O-N 2.98Å; I96-I112 HydrophobicContact CD1-CD1 4.34Å; I96-I112 HydrophobicContact CD1-CG1 4.35Å; I96-I112 HydrophobicContact CD1-CG2 3.9Å; I96-I112 HydrophobicContact CG1-CG2 3.95Å; I96-M114 CarbonylContact C-O 3.55Å; I96-M114 WeakPolarHBondContact CA-O 3.44Å; I96-M114 WeakPolarHBondContact CG1-O 3.32Å; I96-L115 HydrophobicContact CB-CD1 3.9Å; I96-L115 HydrophobicContact CD1-CD1 4.31Å; I96-L115 HydrophobicContact CG1-CB 4.48Å; I96-L115 HydrophobicContact CG1-CD1 4.06Å; I96-L130 HydrophobicContact CB-CB 4.12Å; I96-L130 HydrophobicContact CG2-CB 3.98Å; I96-L130 HydrophobicContact CG2-CD2 4.09Å; I96-V131 HydrophobicContact CD1-CB 4.41Å; I96-V131 HydrophobicContact CD1-CG2 3.85Å; I96-A134 HydrophobicContact CD1-CB 3.86Å; I96-A134 HydrophobicContact CG2-CB 4.35Å
97V97.6Very high93.6Very high0 Ų060 Ų600%031%0.312CS..EExtended strand (participates in β ladder)trans-117.8123.4176.7-179.40000107.6I54 I58 F74 A113 M114I54-V97 HydrophobicContact CG2-CG2 3.96Å; I58-V97 HydrophobicContact CD1-CG2 4.14Å; F74-V97 HydrophobicContact CB-CG1 3.44Å; F74-V97 VanDerWaalsContact CB-CG1 3.44Å; F74-V97 HydrophobicContact CD1-CG1 3.99Å; F74-V97 HydrophobicContact CD2-CG1 4.29Å; F74-V97 HydrophobicContact CG-CG1 3.65Å; V97-A113 PolarHBondContact O-N 3.03Å; V97-M114 HydrophobicContact CB-CB 4.14Å; V97-M114 HydrophobicContact CB-SD 4.49Å; V97-M114 HydrophobicContact CG2-CB 4.44Å; V97-M114 PolarHBondContact N-O 3.47Å; V97-M114 PolarHBondContact O-N 2.95Å
98C97.8Very high93.5Very high0 Ų063.6 Ų63.60%032%0.323CS..EExtended strand (participates in β ladder)trans-133.9165-178.2-58.10000111.6L81 Y111 M138L81-C98 HydrophobicContact CB-CB 3.99Å; L81-C98 WeakPolarHBondContact O-CB 3.41Å; L81-C98 PolarHBondContact O-N 2.87Å; C98-Y111 CarbonylContact C-O 3.53Å; C98-Y111 WeakPolarHBondContact CA-O 3.43Å; C98-Y111 WeakPolarHBondContact CB-O 3.21Å; C98-M138 HydrophobicContact CB-CE 3.31Å
99K96.3Very high93.7Very high24 Ų2458.4 Ų58.410%0.10430%0.297CS..EExtended strand (participates in β ladder)trans-131.5167.4165.966.6175-178.3160.80110.8F74 W78 E101 G110 Y111F74-K99 HydrophobicContact CD1-CB 3.89Å; F74-K99 HydrophobicContact CD1-CG 4.39Å; F74-K99 HydrophobicContact CE1-CB 3.73Å; F74-K99 HydrophobicContact CE1-CD 3.74Å; F74-K99 HydrophobicContact CE1-CG 3.72Å; F74-K99 HydrophobicContact CZ-CD 4.32Å; W78-K99 HydrophobicContact CD2-CB 3.45Å; W78-K99 VanDerWaalsContact CD2-CB 3.45Å; W78-K99 HydrophobicContact CE3-CB 3.33Å; W78-K99 HydrophobicContact CG-CB 4.11Å; W78-K99 HydrophobicContact CH2-CB 3.9Å; W78-K99 HydrophobicContact CH2-CD 4Å; W78-K99 HydrophobicContact CZ2-CB 4Å; W78-K99 HydrophobicContact CZ3-CB 3.56Å; W78-K99 HydrophobicContact CZ3-CD 4.1Å; W78-K99 HydrophobicContact CZ3-CG 4.5Å; K99-E101 WeakPolarHBondContact CE-OE2 3.36Å; K99-E101 IonicContact NZ-OE2 3.95Å; K99-E101 PolarHBondContact NZ-OE2 3.25Å; K99-G110 WeakPolarHBondContact O-CA 3.34Å; K99-Y111 HydrophobicContact CG-CD1 4.16Å; K99-Y111 HydrophobicContact CG-CG 4.48Å; K99-Y111 PolarHBondContact N-O 3.48Å; K99-Y111 PolarHBondContact O-N 3.19Å
100M95.1Very high93.8Very high19 Ų1953 Ų539%0.09427%0.268CS..EExtended strand (participates in β ladder)trans-143.1128.8168.4-168.2-179.867.200110.9W78 L81 R109 D141 C143W78-M100 PolarHBondContact NE1-O 2.99Å; L81-M100 HydrophobicContact CD1-CB 3.74Å; M100-R109 WeakPolarHBondContact CA-O 3.5Å; M100-D141 HydrophobicContact CE-CB 3.54Å; M100-D141 WeakPolarHBondContact CE-OD2 3.33Å; M100-D141 HydrophobicContact SD-CB 4.4Å; M100-C143 HydrophobicContact SD-CB 3.68Å
101E93.3Very high94.1Very high75 Ų7547.3 Ų47.335%0.3524%0.238SC..EExtended strand (participates in β ladder)trans-140.7155.7-175.7-68.1178.1136.200110.7Y73 W78 K99 H103 R109Y73-E101 PolarHBondContact OH-OE1 2.91Å; W78-E101 HydrophobicContact CH2-CG 4.16Å; W78-E101 WeakPolarHBondContact CH2-OE1 3.37Å; W78-E101 HydrophobicContact CZ2-CG 3.47Å; W78-E101 VanDerWaalsContact CZ2-CG 3.47Å; W78-E101 WeakPolarHBondContact CZ2-OE1 3.1Å; K99-E101 WeakPolarHBondContact CE-OE2 3.36Å; K99-E101 IonicContact NZ-OE2 3.95Å; K99-E101 PolarHBondContact NZ-OE2 3.25Å; E101-H103 PolarHBondContact O-N 3.3Å; E101-R109 PolarHBondContact N-O 2.84Å; E101-R109 PolarHBondContact O-N 2.84Å
102T91.4Very high94.2Very high90 Ų9044.6 Ų44.655%0.55222%0.221SC*.EExtended strand (participates in β ladder)trans-75.5118.8168.2-54.70000109.1
103H86.3Confident94.1Very high78 Ų7844.3 Ų44.336%0.36122%0.22SC..  trans-95.4-173.8175.3-164.8-91.7000110.4E101 N106 V107 R109E101-H103 PolarHBondContact O-N 3.3Å; H103-N106 PolarHBondContact O-N 2.78Å; H103-V107 PolarHBondContact N-O 3.06Å; H103-R109 HydrophobicContact CB-CB 4.09Å; H103-R109 PolarHBondContact CD2-NH1 3.22Å; H103-R109 PolarHBondContact CE1-NH1 3.27Å; H103-R109 VanDerWaalsContact CE1-NH1 3.26Å; H103-R109 PolarHBondContact ND1-NH2 2.98Å; H103-R109 PolarHBondContact NE2-NH1 2.88Å
104L82Confident94Very high130 Ų13044.3 Ų44.368%0.68122%0.22SC*.G310 helixtrans-43.4144.1172.6-61174.9000112.1N106 V107L104-N106 PolarHBondContact O-N 2.96Å; L104-V107 WeakPolarHBondContact O-CG2 3.35Å; L104-V107 PolarHBondContact O-N 3.23Å
105E83.5Confident94Very high185 Ų18545.7 Ų45.786%0.86423%0.227SC*.G310 helixtrans61.126.3176.9-55178.1169.300114.3V107E105-V107 HydrophobicContact CB-CG2 4.47Å; E105-V107 PolarHBondContact O-N 3.4Å
106N87.2Confident93.9Very high138 Ų13845.8 Ų45.874%0.73823%0.228SC*.G310 helixtrans63.418.6-178.4-59.8-44.3000114.8H103 L104 R108H103-N106 PolarHBondContact O-N 2.78Å; L104-N106 PolarHBondContact O-N 2.96Å; N106-R108 PolarHBondContact O-N 3.28Å
107V92.3Very high93.9Very high38 Ų3846.5 Ų46.523%0.2323%0.232CC..  trans-70.7119.9175.9177.80000109.4H103 L104 E105 R109 D144 E145H103-V107 PolarHBondContact N-O 3.06Å; L104-V107 WeakPolarHBondContact O-CG2 3.35Å; L104-V107 PolarHBondContact O-N 3.23Å; E105-V107 HydrophobicContact CB-CG2 4.47Å; E105-V107 PolarHBondContact O-N 3.4Å; V107-R109 PolarHBondContact O-N 3.13Å; V107-D144 HydrophobicContact CG1-CB 3.76Å; V107-E145 HydrophobicContact CG1-CG 3.83Å
108R95Very high93.8Very high93 Ų9349 Ų4935%0.35124%0.243SC..EExtended strand (participates in β ladder)trans-78102.3173.9-75.2-174.2166.4-149.8-4.7109.8N106 D141 R142 C143 D144N106-R108 PolarHBondContact O-N 3.28Å; R108-D141 PolarHBondContact NH1-O 3.26Å; R108-D141 IonicContact NH1-OD1 2.64Å; R108-D141 PolarHBondContact NH1-OD1 3.15Å; R108-R142 WeakPolarHBondContact CB-O 3.08Å; R108-R142 VanDerWaalsContact CD-O 3.29Å; R108-R142 WeakPolarHBondContact CD-O 3.44Å; R108-C143 PolarHBondContact O-SG 3.24Å; R108-D144 PolarHBondContact N-OD2 3.27Å; R108-D144 PolarHBondContact O-N 3.12Å
109R96.7Very high93.6Very high36 Ų3656.8 Ų56.814%0.13628%0.277CS..EExtended strand (participates in β ladder)trans-103.1122-174.2178.7-179.3-75.9167.212.9111.2M100 E101 H103 V107 E145 V147M100-R109 WeakPolarHBondContact CA-O 3.5Å; E101-R109 PolarHBondContact N-O 2.84Å; E101-R109 PolarHBondContact O-N 2.84Å; H103-R109 HydrophobicContact CB-CB 4.09Å; H103-R109 PolarHBondContact CD2-NH1 3.22Å; H103-R109 PolarHBondContact CE1-NH1 3.27Å; H103-R109 VanDerWaalsContact CE1-NH1 3.26Å; H103-R109 PolarHBondContact ND1-NH2 2.98Å; H103-R109 PolarHBondContact NE2-NH1 2.88Å; V107-R109 PolarHBondContact O-N 3.13Å; R109-E145 CarbonylContact C-O 3.35Å; R109-E145 VanDerWaalsContact CA-O 3.31Å; R109-E145 WeakPolarHBondContact CA-O 3.26Å; R109-E145 HydrophobicContact CB-CG 4.35Å; R109-E145 HydrophobicContact CG-CG 4.24Å; R109-E145 IonicContact CZ-OE1 2.71Å; R109-E145 IonicContact NE-OE1 3.86Å; R109-E145 PolarHBondContact NE-OE1 3.34Å; R109-E145 IonicContact NH2-OE1 3.65Å; R109-E145 PolarHBondContact NH2-OE1 3.23Å; R109-V147 HydrophobicContact CG-CG2 3.76Å
110G97.7Very high93.6Very high0 Ų062 Ų620%031%0.307CS..EExtended strand (participates in β ladder)trans-80.5148.6164.800000110.9K99 C143 E145 I146 V147K99-G110 WeakPolarHBondContact O-CA 3.34Å; G110-C143 PolarHBondContact N-SG 3.31Å; G110-E145 PolarHBondContact N-O 3.32Å; G110-I146 WeakPolarHBondContact O-CA 3.41Å; G110-V147 WeakPolarHBondContact O-CG2 3.45Å; G110-V147 PolarHBondContact O-N 2.85Å
111Y97.5Very high93.6Very high7 Ų763.6 Ų63.63%0.02731%0.314CS..EExtended strand (participates in β ladder)trans-137.6125175.8175.1-94.3000110.4D4 C98 K99 A113 V147 E149D4-Y111 VanDerWaalsContact CG-CE1 3.48Å; D4-Y111 VanDerWaalsContact CG-OH 3.26Å; D4-Y111 WeakPolarHBondContact OD1-CE1 3.44Å; D4-Y111 WeakPolarHBondContact OD2-CE1 3.39Å; D4-Y111 VanDerWaalsContact OD2-CZ 3.28Å; D4-Y111 PolarHBondContact OD2-OH 3.16Å; C98-Y111 CarbonylContact C-O 3.53Å; C98-Y111 WeakPolarHBondContact CA-O 3.43Å; C98-Y111 WeakPolarHBondContact CB-O 3.21Å; K99-Y111 HydrophobicContact CG-CD1 4.16Å; K99-Y111 HydrophobicContact CG-CG 4.48Å; K99-Y111 PolarHBondContact N-O 3.48Å; K99-Y111 PolarHBondContact O-N 3.19Å; Y111-A113 HydrophobicContact CD1-CB 3.95Å; Y111-A113 HydrophobicContact CE1-CB 3.53Å; Y111-V147 WeakPolarHBondContact CA-O 3.46Å; Y111-V147 HydrophobicContact CD2-CG2 3.87Å; Y111-E149 WeakPolarHBondContact CE2-OE2 3.45Å; Y111-E149 PolarHBondContact OH-OE2 2.8Å
112I97.8Very high93.7Very high5 Ų564.8 Ų64.83%0.02632%0.315CS..EExtended strand (participates in β ladder)trans-91.3104.6174.2-58.6171.3000107.4I96 V131 I146 V147 L148 Y161 F166I96-I112 HydrophobicContact CD1-CD1 4.34Å; I96-I112 HydrophobicContact CD1-CG1 4.35Å; I96-I112 HydrophobicContact CD1-CG2 3.9Å; I96-I112 HydrophobicContact CG1-CG2 3.95Å; I112-V131 HydrophobicContact CD1-CG1 4.01Å; I112-I146 HydrophobicContact CD1-CG2 4.07Å; I112-I146 HydrophobicContact CG1-CG2 4Å; I112-V147 PolarHBondContact N-O 2.79Å; I112-L148 HydrophobicContact CB-CB 4.03Å; I112-L148 HydrophobicContact CB-CD2 4.33Å; I112-L148 HydrophobicContact CD1-CD2 3.89Å; I112-Y161 HydrophobicContact CD1-CE1 4.27Å; I112-F166 HydrophobicContact CD1-CZ 3.96Å
113A95.8Very high93.8Very high12 Ų1271.5 Ų71.510%0.09933%0.33CS..EExtended strand (participates in β ladder)trans-80.7-47.3-176.800000111.9D4 F74 V97 Y111D4-A113 WeakPolarHBondContact OD2-CA 3.47Å; D4-A113 WeakPolarHBondContact OD2-CB 3.31Å; F74-A113 HydrophobicContact CD1-CB 4.34Å; F74-A113 HydrophobicContact CE1-CB 3.67Å; F74-A113 HydrophobicContact CE2-CB 4.08Å; F74-A113 HydrophobicContact CZ-CB 3.56Å; V97-A113 PolarHBondContact O-N 3.03Å; Y111-A113 HydrophobicContact CD1-CB 3.95Å; Y111-A113 HydrophobicContact CE1-CB 3.53Å
114M96.2Very high94.3Very high1 Ų171 Ų711%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-141.9136.1-172.5-55.1161.3-160.400108.9I58 L62 Y66 T70 Y71 F74 I96 V97I58-M114 HydrophobicContact CD1-CB 3.63Å; I58-M114 HydrophobicContact CD1-CG 4.13Å; I58-M114 HydrophobicContact CD1-SD 3.63Å; I58-M114 HydrophobicContact CG1-CB 4.31Å; I58-M114 HydrophobicContact CG2-SD 4.31Å; L62-M114 HydrophobicContact CD1-CB 4.06Å; L62-M114 HydrophobicContact CD1-CG 4.2Å; Y66-M114 HydrophobicContact CD1-CE 3.64Å; Y66-M114 HydrophobicContact CD2-CE 3.73Å; Y66-M114 HydrophobicContact CD2-CG 4.49Å; Y66-M114 HydrophobicContact CD2-SD 3.99Å; Y66-M114 HydrophobicContact CE1-CE 3.75Å; Y66-M114 HydrophobicContact CE2-CE 3.84Å; Y66-M114 HydrophobicContact CE2-CG 3.96Å; Y66-M114 HydrophobicContact CE2-SD 4.06Å; Y66-M114 HydrophobicContact CG-CE 3.62Å; Y66-M114 HydrophobicContact CG-SD 4.42Å; T70-M114 HydrophobicContact CG2-CE 4Å; Y71-M114 HydrophobicContact CD1-SD 4.16Å; Y71-M114 HydrophobicContact CE1-SD 3.81Å; F74-M114 HydrophobicContact CD2-CE 4.45Å; F74-M114 HydrophobicContact CE2-CE 4.37Å; I96-M114 CarbonylContact C-O 3.55Å; I96-M114 WeakPolarHBondContact CA-O 3.44Å; I96-M114 WeakPolarHBondContact CG1-O 3.32Å; V97-M114 HydrophobicContact CB-CB 4.14Å; V97-M114 HydrophobicContact CB-SD 4.49Å; V97-M114 HydrophobicContact CG2-CB 4.44Å; V97-M114 PolarHBondContact N-O 3.47Å; V97-M114 PolarHBondContact O-N 2.95Å
115L97.3Very high95Very high29 Ų2966.5 Ų66.515%0.15232%0.315CS..EExtended strand (participates in β ladder)trans-137.9123170175.569.4000106.8T95 I96 L130 V131 L160 Y161T95-L115 WeakPolarHBondContact O-CA 3.18Å; I96-L115 HydrophobicContact CB-CD1 3.9Å; I96-L115 HydrophobicContact CD1-CD1 4.31Å; I96-L115 HydrophobicContact CG1-CB 4.48Å; I96-L115 HydrophobicContact CG1-CD1 4.06Å; L115-L130 HydrophobicContact CD1-CB 4.1Å; L115-L130 HydrophobicContact CD1-CD1 4.07Å; L115-V131 HydrophobicContact CD1-CG2 4.28Å; L115-V131 HydrophobicContact CD2-CG2 3.76Å; L115-L160 HydrophobicContact CD2-CD2 4.29Å; L115-Y161 HydrophobicContact CD2-CE1 4.36Å; L115-Y161 WeakPolarHBondContact CD2-OH 3.48Å
116A97.1Very high95.7Very high1 Ų157.9 Ų57.91%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-137141.4177.100000110.1L57 I58 D61 G94 T95L57-A116 HydrophobicContact CD2-CB 4.25Å; L57-A116 HydrophobicContact CG-CB 3.91Å; I58-A116 HydrophobicContact CG1-CB 3.99Å; D61-A116 HydrophobicContact CB-CB 3.88Å; D61-A116 WeakPolarHBondContact OD2-CA 3.22Å; G94-A116 CarbonylContact C-O 3.6Å; G94-A116 WeakPolarHBondContact CA-O 3.32Å; T95-A116 HydrophobicContact CG2-CB 4.42Å; T95-A116 PolarHBondContact N-O 3.31Å; T95-A116 PolarHBondContact O-N 3.23Å
117V97.4Very high96.2Very high15 Ų1551.7 Ų51.79%0.09124%0.244CC..EExtended strand (participates in β ladder)trans-132.9131.4174.4-179.10000108.2D61 K119 H121 R122 I126D61-V117 PolarHBondContact OD2-N 2.84Å; V117-K119 PolarHBondContact O-N 3.37Å; V117-H121 HydrophobicContact CG1-CB 4.46Å; V117-H121 WeakPolarHBondContact CG1-O 3.49Å; V117-R122 HydrophobicContact CB-CG 4.15Å; V117-R122 HydrophobicContact CG1-CG 3.94Å; V117-R122 VanDerWaalsContact O-CZ 3.29Å; V117-R122 PolarHBondContact O-NE 3.48Å; V117-R122 PolarHBondContact O-NH2 3.47Å; V117-I126 HydrophobicContact CG1-CB 4.11Å; V117-I126 HydrophobicContact CG1-CD1 4.45Å; V117-I126 HydrophobicContact CG1-CG2 4.08Å; V117-I126 HydrophobicContact CG2-CB 4.43Å; V117-I126 HydrophobicContact CG2-CG2 4.01Å
118E96.4Very high96.5Very high52 Ų5251.7 Ų51.724%0.24325%0.246CC..  trans-57.7136.5-179.6-164.2-135.3134.200109.7L57 V93 N120 H121 R122L57-E118 HydrophobicContact CD1-CB 3.92Å; L57-E118 HydrophobicContact CD1-CG 4.45Å; V93-E118 HydrophobicContact CB-CB 4.39Å; V93-E118 WeakPolarHBondContact O-CB 2.88Å; V93-E118 PolarHBondContact O-N 2.96Å; E118-N120 PolarHBondContact O-N 2.8Å; E118-N120 VanDerWaalsContact O-N 3.12Å; E118-N120 PolarHBondContact OE1-ND2 2.81Å; E118-H121 HydrophobicContact CB-CB 4.46Å; E118-H121 CarbonylContact O-C 3.58Å; E118-H121 WeakPolarHBondContact O-CA 3.18Å; E118-H121 PolarHBondContact O-N 3.36Å; E118-H121 IonicContact OE1-ND1 3.94Å; E118-H121 IonicContact OE2-CE1 3.2Å; E118-H121 PolarHBondContact OE2-CE1 3.26Å; E118-H121 IonicContact OE2-CG 3.85Å; E118-H121 IonicContact OE2-ND1 2.66Å; E118-H121 PolarHBondContact OE2-ND1 2.95Å; E118-R122 WeakPolarHBondContact O-CG 3.24Å; E118-R122 PolarHBondContact O-N 3.14Å
119K94.2Very high96.6Very high164 Ų16450.8 Ų50.871%0.71324%0.242SC*.G310 helixtrans-53.6-40.3-168-172.8177.6177.1-178.30113.3V117 H121V117-K119 PolarHBondContact O-N 3.37Å; K119-H121 VanDerWaalsContact C-N 3.27Å; K119-H121 PolarHBondContact O-N 3.12Å
120N94.8Very high96.7Very high134 Ų13449.1 Ų49.172%0.71724%0.236SC*.G310 helixtrans-77.2-13.7-178.6-56.6-48.2000113.4E118E118-N120 PolarHBondContact O-N 2.8Å; E118-N120 VanDerWaalsContact O-N 3.12Å; E118-N120 PolarHBondContact OE1-ND2 2.81Å
121H95.7Very high96.8Very high53 Ų5349.1 Ų49.125%0.24524%0.236CC..G310 helixtrans-107.513.9179.1-67.891.5000112.6V93 V117 E118 K119 I124 I126V93-H121 HydrophobicContact CB-CB 4.06Å; V117-H121 HydrophobicContact CG1-CB 4.46Å; V117-H121 WeakPolarHBondContact CG1-O 3.49Å; E118-H121 HydrophobicContact CB-CB 4.46Å; E118-H121 CarbonylContact O-C 3.58Å; E118-H121 WeakPolarHBondContact O-CA 3.18Å; E118-H121 PolarHBondContact O-N 3.36Å; E118-H121 IonicContact OE1-ND1 3.94Å; E118-H121 IonicContact OE2-CE1 3.2Å; E118-H121 PolarHBondContact OE2-CE1 3.26Å; E118-H121 IonicContact OE2-CG 3.85Å; E118-H121 IonicContact OE2-ND1 2.66Å; E118-H121 PolarHBondContact OE2-ND1 2.95Å; K119-H121 VanDerWaalsContact C-N 3.27Å; K119-H121 PolarHBondContact O-N 3.12Å; H121-I124 WeakPolarHBondContact O-CG1 3.26Å; H121-I126 HydrophobicContact CB-CD1 3.84Å
122R94.7Very high96.8Very high99 Ų9952.1 Ų52.137%0.37425%0.25SS..THydrogen-bonded Turntrans-77.6164.8174-66.7-178.8-168.8173.112.7111.2D61 V117 E118 I124D61-R122 IonicContact OD1-CZ 2.68Å; D61-R122 VanDerWaalsContact OD1-CZ 3.27Å; D61-R122 IonicContact OD1-NH1 3.99Å; D61-R122 PolarHBondContact OD1-NH1 3.15Å; D61-R122 IonicContact OD1-NH2 3.62Å; D61-R122 PolarHBondContact OD1-NH2 3.45Å; D61-R122 IonicContact OD2-CZ 3.06Å; D61-R122 IonicContact OD2-NH2 3.27Å; D61-R122 PolarHBondContact OD2-NH2 3.09Å; V117-R122 HydrophobicContact CB-CG 4.15Å; V117-R122 HydrophobicContact CG1-CG 3.94Å; V117-R122 VanDerWaalsContact O-CZ 3.29Å; V117-R122 PolarHBondContact O-NE 3.48Å; V117-R122 PolarHBondContact O-NH2 3.47Å; E118-R122 WeakPolarHBondContact O-CG 3.24Å; E118-R122 PolarHBondContact O-N 3.14Å; R122-I124 PolarHBondContact O-N 3.11Å; R122-I124 VanDerWaalsContact O-N 3.13Å
123R94.3Very high96.9Very high232 Ų23252.2 Ų52.288%0.87525%0.25SS*.THydrogen-bonded Turntrans65.59.6173.3-48.7-58.7-62.3178.1-1115.6
124I95.8Very high97Very high66 Ų6651.6 Ų51.634%0.33825%0.246SC..SBendtrans-107.412172.168.4-177.5000113N38 H121 R122 I126N38-I124 HydrophobicContact CB-CD1 4.18Å; H121-I124 WeakPolarHBondContact O-CG1 3.26Å; R122-I124 PolarHBondContact O-N 3.11Å; R122-I124 VanDerWaalsContact O-N 3.13Å; I124-I126 HydrophobicContact CD1-CD1 4.01Å; I124-I126 HydrophobicContact CD1-CG1 4.27Å; I124-I126 HydrophobicContact CG1-CD1 4.18Å; I124-I126 HydrophobicContact CG1-CG1 3.96Å
125G96.8Very high97.1Very high37 Ų3752.5 Ų52.538%0.38125%0.25SS..SBendtrans94.1-0.9173.300000116.6G127 S128 R129G125-G127 PolarHBondContact O-N 3.47Å; G125-S128 PolarHBondContact O-N 3.35Å; G125-R129 WeakPolarHBondContact O-CB 3.05Å; G125-R129 PolarHBondContact O-N 3.26Å
126I98.3Very high97.1Very high3 Ų355.7 Ų55.72%0.01526%0.264CS..Hα-helixtrans-55-51.3-179.3-65.4-178.6000112.4I40 F42 A85 V93 V117 H121 I124 S128 R129 L130I40-I126 HydrophobicContact CG1-CD1 4.19Å; F42-I126 HydrophobicContact CE1-CG2 4.08Å; F42-I126 HydrophobicContact CZ-CB 4.45Å; F42-I126 HydrophobicContact CZ-CG1 4.24Å; F42-I126 HydrophobicContact CZ-CG2 4.34Å; A85-I126 HydrophobicContact CB-CG2 3.63Å; V93-I126 HydrophobicContact CG2-CD1 3.88Å; V117-I126 HydrophobicContact CG1-CB 4.11Å; V117-I126 HydrophobicContact CG1-CD1 4.45Å; V117-I126 HydrophobicContact CG1-CG2 4.08Å; V117-I126 HydrophobicContact CG2-CB 4.43Å; V117-I126 HydrophobicContact CG2-CG2 4.01Å; H121-I126 HydrophobicContact CB-CD1 3.84Å; I124-I126 HydrophobicContact CD1-CD1 4.01Å; I124-I126 HydrophobicContact CD1-CG1 4.27Å; I124-I126 HydrophobicContact CG1-CD1 4.18Å; I124-I126 HydrophobicContact CG1-CG1 3.96Å; I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 PolarHBondContact O-N 3.04Å; I126-R129 PolarHBondContact O-N 3.46Å; I126-L130 HydrophobicContact CG2-CD1 3.85Å; I126-L130 HydrophobicContact CG2-CG 4.36Å; I126-L130 WeakPolarHBondContact O-CG 3.44Å; I126-L130 PolarHBondContact O-N 3.2Å
127G98.1Very high97.1Very high9 Ų956.9 Ų56.99%0.09327%0.271CS..Hα-helixtrans-60-44.8-178.400000112.2G125 R129 L130 V131G125-G127 PolarHBondContact O-N 3.47Å; G127-R129 VanDerWaalsContact C-N 3.35Å; G127-R129 PolarHBondContact O-N 3.2Å; G127-L130 PolarHBondContact O-N 2.69Å; G127-V131 WeakPolarHBondContact O-CG2 3.21Å; G127-V131 PolarHBondContact O-N 2.82Å; G127-V131 VanDerWaalsContact O-N 3.12Å
128S98.3Very high97.1Very high38 Ų3856.2 Ų56.227%0.26627%0.266SS..Hα-helixtrans-62.9-41.9177.1-57.60000111.7G125 I126 V131 Q132G125-S128 PolarHBondContact O-N 3.35Å; I126-S128 VanDerWaalsContact C-N 3.35Å; I126-S128 PolarHBondContact O-N 3.04Å; S128-V131 PolarHBondContact O-N 2.86Å; S128-Q132 WeakPolarHBondContact O-CB 3.45Å; S128-Q132 VanDerWaalsContact O-CG 3.24Å; S128-Q132 WeakPolarHBondContact O-CG 3.31Å; S128-Q132 PolarHBondContact O-N 2.78Å
129R98.5Very high97.1Very high74 Ų7458 Ų5828%0.27928%0.277SS..Hα-helixtrans-64.8-43.3177.8-179.858.865157.45.5112.1F33 F42 G125 I126 G127 V131 Q132 L133F33-R129 HydrophobicContact CD1-CG 3.83Å; F33-R129 HydrophobicContact CE1-CG 4.29Å; F42-R129 HydrophobicContact CD1-CB 4.39Å; F42-R129 HydrophobicContact CD1-CG 3.75Å; F42-R129 HydrophobicContact CD2-CG 4.17Å; F42-R129 HydrophobicContact CE1-CB 3.7Å; F42-R129 HydrophobicContact CE1-CG 3.48Å; F42-R129 VanDerWaalsContact CE1-CG 3.48Å; F42-R129 HydrophobicContact CE2-CG 3.94Å; F42-R129 HydrophobicContact CG-CG 4.09Å; F42-R129 HydrophobicContact CZ-CB 3.83Å; F42-R129 HydrophobicContact CZ-CG 3.59Å; G125-R129 WeakPolarHBondContact O-CB 3.05Å; G125-R129 PolarHBondContact O-N 3.26Å; I126-R129 PolarHBondContact O-N 3.46Å; G127-R129 VanDerWaalsContact C-N 3.35Å; G127-R129 PolarHBondContact O-N 3.2Å; R129-V131 VanDerWaalsContact C-N 3.34Å; R129-V131 PolarHBondContact O-N 2.89Å; R129-Q132 PolarHBondContact O-N 3.43Å; R129-L133 HydrophobicContact CG-CD1 4.02Å; R129-L133 HydrophobicContact CG-CG 4.4Å; R129-L133 VanDerWaalsContact O-CG 3.3Å; R129-L133 WeakPolarHBondContact O-CG 3.44Å; R129-L133 PolarHBondContact O-N 2.71Å
130L98.8Very high97.1Very high0 Ų057.2 Ų57.20%028%0.276CS..Hα-helixtrans-58.7-45.9175.9-76.7167000111.4F42 L83 A85 I96 L115 I126 G127 L133 A134F42-L130 HydrophobicContact CD1-CD2 3.89Å; F42-L130 HydrophobicContact CD1-CG 4.11Å; F42-L130 HydrophobicContact CE1-CD2 4.28Å; F42-L130 HydrophobicContact CE1-CG 4.01Å; L83-L130 HydrophobicContact CB-CD2 3.99Å; A85-L130 HydrophobicContact CB-CD1 4.46Å; A85-L130 HydrophobicContact CB-CD2 4.4Å; I96-L130 HydrophobicContact CB-CB 4.12Å; I96-L130 HydrophobicContact CG2-CB 3.98Å; I96-L130 HydrophobicContact CG2-CD2 4.09Å; L115-L130 HydrophobicContact CD1-CB 4.1Å; L115-L130 HydrophobicContact CD1-CD1 4.07Å; I126-L130 HydrophobicContact CG2-CD1 3.85Å; I126-L130 HydrophobicContact CG2-CG 4.36Å; I126-L130 WeakPolarHBondContact O-CG 3.44Å; I126-L130 PolarHBondContact O-N 3.2Å; G127-L130 PolarHBondContact O-N 2.69Å; L130-L133 PolarHBondContact O-N 2.59Å; L130-A134 WeakPolarHBondContact O-CB 3.24Å; L130-A134 PolarHBondContact O-N 3.32Å
131V98.7Very high97.1Very high0 Ų054.9 Ų54.90%026%0.263CS..Hα-helixtrans-65.9-42.8178.3178.20000111.3I96 I112 L115 G127 S128 R129 A134 I135 L160 Y161 L164 F166I96-V131 HydrophobicContact CD1-CB 4.41Å; I96-V131 HydrophobicContact CD1-CG2 3.85Å; I112-V131 HydrophobicContact CD1-CG1 4.01Å; L115-V131 HydrophobicContact CD1-CG2 4.28Å; L115-V131 HydrophobicContact CD2-CG2 3.76Å; G127-V131 WeakPolarHBondContact O-CG2 3.21Å; G127-V131 PolarHBondContact O-N 2.82Å; G127-V131 VanDerWaalsContact O-N 3.12Å; S128-V131 PolarHBondContact O-N 2.86Å; R129-V131 VanDerWaalsContact C-N 3.34Å; R129-V131 PolarHBondContact O-N 2.89Å; V131-A134 PolarHBondContact O-N 3.08Å; V131-I135 HydrophobicContact CG1-CD1 3.77Å; V131-I135 HydrophobicContact CG1-CG1 4.33Å; V131-I135 WeakPolarHBondContact O-CD1 3.41Å; V131-I135 WeakPolarHBondContact O-CG1 3.39Å; V131-I135 PolarHBondContact O-N 3.35Å; V131-L160 HydrophobicContact CG2-CD2 4.05Å; V131-Y161 HydrophobicContact CG1-CD1 4.45Å; V131-Y161 HydrophobicContact CG1-CE1 4.31Å; V131-Y161 HydrophobicContact CG2-CE1 3.85Å; V131-L164 HydrophobicContact CB-CD1 3.64Å; V131-L164 HydrophobicContact CG1-CD1 3.45Å; V131-L164 VanDerWaalsContact CG1-CD1 3.45Å; V131-L164 HydrophobicContact CG2-CD1 4.44Å; V131-F166 HydrophobicContact CG1-CE2 4.23Å
132Q98.6Very high97.1Very high71 Ų7161.9 Ų61.933%0.33229%0.287SS..Hα-helixtrans-58.5-49.1176-75.5169.1-20.600112.2S128 R129 A134 I135 E136 L164S128-Q132 WeakPolarHBondContact O-CB 3.45Å; S128-Q132 VanDerWaalsContact O-CG 3.24Å; S128-Q132 WeakPolarHBondContact O-CG 3.31Å; S128-Q132 PolarHBondContact O-N 2.78Å; R129-Q132 PolarHBondContact O-N 3.43Å; Q132-A134 VanDerWaalsContact C-N 3.33Å; Q132-A134 PolarHBondContact O-N 3.2Å; Q132-I135 WeakPolarHBondContact O-CB 3.47Å; Q132-I135 PolarHBondContact O-N 3.22Å; Q132-E136 WeakPolarHBondContact O-CG 3.32Å; Q132-E136 PolarHBondContact O-N 3.47Å; Q132-L164 HydrophobicContact CG-CD2 3.72Å
133L98.4Very high97.2Very high6 Ų657.4 Ų57.43%0.03127%0.271CS..Hα-helixtrans-62.7-39.4178.4-68.9173.1000111.9L32 F33 F42 L83 R129 L130 E136 L137L32-L133 HydrophobicContact CB-CD1 4.09Å; L32-L133 HydrophobicContact CB-CD2 4.09Å; F33-L133 HydrophobicContact CB-CD1 4.14Å; F33-L133 HydrophobicContact CB-CD2 4.36Å; F42-L133 HydrophobicContact CB-CD1 3.57Å; F42-L133 HydrophobicContact CD1-CD1 4.03Å; F42-L133 HydrophobicContact CG-CD1 3.98Å; L83-L133 HydrophobicContact CD1-CB 3.68Å; R129-L133 HydrophobicContact CG-CD1 4.02Å; R129-L133 HydrophobicContact CG-CG 4.4Å; R129-L133 VanDerWaalsContact O-CG 3.3Å; R129-L133 WeakPolarHBondContact O-CG 3.44Å; R129-L133 PolarHBondContact O-N 2.71Å; L130-L133 PolarHBondContact O-N 2.59Å; L133-E136 PolarHBondContact O-N 3.04Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 3.24Å
134A98.5Very high97.2Very high0 Ų048.4 Ų48.40%024%0.24CC..Hα-helixtrans-64.9-41.7175.500000111.9L83 I96 L130 V131 Q132 L137 M138L83-A134 HydrophobicContact CD1-CB 4.18Å; I96-A134 HydrophobicContact CD1-CB 3.86Å; I96-A134 HydrophobicContact CG2-CB 4.35Å; L130-A134 WeakPolarHBondContact O-CB 3.24Å; L130-A134 PolarHBondContact O-N 3.32Å; V131-A134 PolarHBondContact O-N 3.08Å; Q132-A134 VanDerWaalsContact C-N 3.33Å; Q132-A134 PolarHBondContact O-N 3.2Å; A134-L137 PolarHBondContact O-N 2.75Å; A134-M138 WeakPolarHBondContact O-CB 3.4Å; A134-M138 VanDerWaalsContact O-CG 3.26Å; A134-M138 WeakPolarHBondContact O-CG 3.22Å; A134-M138 PolarHBondContact O-N 2.92Å
135I98.3Very high97.3Very high20 Ų2045.9 Ų45.910%0.10323%0.227CC..Hα-helixtrans-60.7-46.3173.9-67.7162.7000110.5V131 Q132 L137 M138 I139 I146 F166 L187 L189V131-I135 HydrophobicContact CG1-CD1 3.77Å; V131-I135 HydrophobicContact CG1-CG1 4.33Å; V131-I135 WeakPolarHBondContact O-CD1 3.41Å; V131-I135 WeakPolarHBondContact O-CG1 3.39Å; V131-I135 PolarHBondContact O-N 3.35Å; Q132-I135 WeakPolarHBondContact O-CB 3.47Å; Q132-I135 PolarHBondContact O-N 3.22Å; I135-L137 VanDerWaalsContact C-N 3.34Å; I135-L137 PolarHBondContact O-N 3.43Å; I135-M138 PolarHBondContact O-N 2.94Å; I135-I139 HydrophobicContact CG2-CD1 3.64Å; I135-I139 HydrophobicContact CG2-CG1 4.17Å; I135-I139 VanDerWaalsContact O-CG1 3.29Å; I135-I139 WeakPolarHBondContact O-CG1 3.43Å; I135-I139 PolarHBondContact O-N 3.46Å; I135-I146 HydrophobicContact CB-CD1 4.11Å; I135-I146 HydrophobicContact CG1-CD1 3.66Å; I135-I146 HydrophobicContact CG2-CD1 4.13Å; I135-F166 HydrophobicContact CD1-CE2 3.98Å; I135-F166 HydrophobicContact CD1-CZ 4.38Å; I135-L187 HydrophobicContact CD1-CD2 3.79Å; I135-L187 HydrophobicContact CG1-CD2 4.15Å; I135-L187 HydrophobicContact CG2-CD2 4.25Å; I135-L189 HydrophobicContact CG2-CD2 4.08Å
136E97.5Very high97.3Very high95 Ų9544.1 Ų44.144%0.44421%0.209SC..Hα-helixtrans-58-45.5178.7-73.8167.9-163.900111.6Q132 L133 I139 Q140Q132-E136 WeakPolarHBondContact O-CG 3.32Å; Q132-E136 PolarHBondContact O-N 3.47Å; L133-E136 PolarHBondContact O-N 3.04Å; E136-I139 PolarHBondContact O-N 2.58Å; E136-Q140 VanDerWaalsContact O-CG 3.29Å; E136-Q140 WeakPolarHBondContact O-CG 3.16Å; E136-Q140 PolarHBondContact O-N 3.24Å
137L97.1Very high97.3Very high27 Ų2744 Ų4414%0.14121%0.208CC..Hα-helixtrans-64.4-39.5175.8-69.4171000112.5L32 K80 L81 L83 L133 A134 I135 Q140 D141L32-L137 HydrophobicContact CD1-CD1 4.02Å; K80-L137 WeakPolarHBondContact O-CD1 3.42Å; L81-L137 HydrophobicContact CD2-CB 3.87Å; L83-L137 HydrophobicContact CD1-CD1 4.17Å; L83-L137 HydrophobicContact CD2-CD1 3.73Å; L133-L137 WeakPolarHBondContact O-CG 3.29Å; L133-L137 PolarHBondContact O-N 3.24Å; A134-L137 PolarHBondContact O-N 2.75Å; I135-L137 VanDerWaalsContact C-N 3.34Å; I135-L137 PolarHBondContact O-N 3.43Å; L137-Q140 WeakPolarHBondContact O-CB 3.41Å; L137-Q140 PolarHBondContact O-N 2.64Å; L137-D141 PolarHBondContact O-N 3.35Å
138M97.3Very high97.3Very high1 Ų143.7 Ų43.71%0.00520%0.204CC..Hα-helixtrans-67-40.2175.7-71.9176.4-165.900111.9L81 C98 A134 I135 Q140 D141 R142 C143 I146L81-M138 HydrophobicContact CD1-CE 4.4Å; L81-M138 HydrophobicContact CD1-CG 4.42Å; L81-M138 HydrophobicContact CD2-CG 4.05Å; C98-M138 HydrophobicContact CB-CE 3.31Å; A134-M138 WeakPolarHBondContact O-CB 3.4Å; A134-M138 VanDerWaalsContact O-CG 3.26Å; A134-M138 WeakPolarHBondContact O-CG 3.22Å; A134-M138 PolarHBondContact O-N 2.92Å; I135-M138 PolarHBondContact O-N 2.94Å; M138-Q140 VanDerWaalsContact C-N 3.32Å; M138-Q140 PolarHBondContact O-N 2.71Å; M138-D141 CarbonylContact O-C 3.49Å; M138-D141 PolarHBondContact O-N 2.93Å; M138-R142 PolarHBondContact O-N 3.02Å; M138-C143 HydrophobicContact CB-CB 3.7Å; M138-C143 WeakPolarHBondContact O-CB 3.4Å; M138-C143 PolarHBondContact O-N 3.39Å; M138-I146 HydrophobicContact CB-CD1 4.1Å; M138-I146 HydrophobicContact CG-CD1 4.43Å; M138-I146 HydrophobicContact SD-CD1 3.43Å; M138-I146 WeakPolarHBondContact SD-CD1 3.44Å; M138-I146 HydrophobicContact SD-CG1 3.62Å; M138-I146 HydrophobicContact SD-CG2 4.11Å
139I96.3Very high97.2Very high89 Ų8942.8 Ų42.846%0.45620%0.196SC..Hα-helixtrans-60.6-43.4173.6-70.6167.7000110.2I135 E136 D141 R142 L189I135-I139 HydrophobicContact CG2-CD1 3.64Å; I135-I139 HydrophobicContact CG2-CG1 4.17Å; I135-I139 VanDerWaalsContact O-CG1 3.29Å; I135-I139 WeakPolarHBondContact O-CG1 3.43Å; I135-I139 PolarHBondContact O-N 3.46Å; E136-I139 PolarHBondContact O-N 2.58Å; I139-D141 PolarHBondContact O-N 2.94Å; I139-R142 PolarHBondContact O-N 3.5Å; I139-L189 HydrophobicContact CD1-CD2 3.98Å; I139-L189 HydrophobicContact CG1-CD1 3.7Å; I139-L189 HydrophobicContact CG1-CD2 3.92Å; I139-L189 HydrophobicContact CG1-CG 4.3Å
140Q95.5Very high97.1Very high148 Ų14839.5 Ų39.569%0.69219%0.185SC*.Hα-helixtrans-59.2-32.3177-73.7172.62.200112.4E136 L137 M138 R142E136-Q140 VanDerWaalsContact O-CG 3.29Å; E136-Q140 WeakPolarHBondContact O-CG 3.16Å; E136-Q140 PolarHBondContact O-N 3.24Å; L137-Q140 WeakPolarHBondContact O-CB 3.41Å; L137-Q140 PolarHBondContact O-N 2.64Å; M138-Q140 VanDerWaalsContact C-N 3.32Å; M138-Q140 PolarHBondContact O-N 2.71Å; Q140-R142 VanDerWaalsContact C-N 3.32Å
141D94.3Very high96.9Very high84 Ų8440.3 Ų40.345%0.44919%0.189SC..THydrogen-bonded Turntrans-96.327.6173.7-159.511.6000113.6M100 R108 L137 M138 I139 C143M100-D141 HydrophobicContact CE-CB 3.54Å; M100-D141 WeakPolarHBondContact CE-OD2 3.33Å; M100-D141 HydrophobicContact SD-CB 4.4Å; R108-D141 PolarHBondContact NH1-O 3.26Å; R108-D141 IonicContact NH1-OD1 2.64Å; R108-D141 PolarHBondContact NH1-OD1 3.15Å; L137-D141 PolarHBondContact O-N 3.35Å; M138-D141 CarbonylContact O-C 3.49Å; M138-D141 PolarHBondContact O-N 2.93Å; I139-D141 PolarHBondContact O-N 2.94Å; D141-C143 VanDerWaalsContact C-N 3.31Å; D141-C143 PolarHBondContact O-N 2.94Å
142R95.1Very high96.7Very high201 Ų20142.4 Ų42.476%0.75820%0.201SC*.THydrogen-bonded Turntrans57.339.8172-51.8-178.6-177.8-177.70.6113.5R108 M138 I139 Q140R108-R142 WeakPolarHBondContact CB-O 3.08Å; R108-R142 VanDerWaalsContact CD-O 3.29Å; R108-R142 WeakPolarHBondContact CD-O 3.44Å; M138-R142 PolarHBondContact O-N 3.02Å; I139-R142 PolarHBondContact O-N 3.5Å; Q140-R142 VanDerWaalsContact C-N 3.32Å
143C96Very high96.6Very high4 Ų443 Ų433%0.02721%0.207CC..  trans-65134.4171.3-172.80000110.9M100 R108 G110 M138 D141 E145 L189M100-C143 HydrophobicContact SD-CB 3.68Å; R108-C143 PolarHBondContact O-SG 3.24Å; G110-C143 PolarHBondContact N-SG 3.31Å; M138-C143 HydrophobicContact CB-CB 3.7Å; M138-C143 WeakPolarHBondContact O-CB 3.4Å; M138-C143 PolarHBondContact O-N 3.39Å; D141-C143 VanDerWaalsContact C-N 3.31Å; D141-C143 PolarHBondContact O-N 2.94Å; C143-E145 PolarHBondContact SG-O 3.28Å; C143-L189 HydrophobicContact CB-CD1 3.79Å; C143-L189 WeakPolarHBondContact O-CB 3.39Å; C143-L189 WeakPolarHBondContact O-CD1 3.47Å
144D96Very high96.4Very high43 Ų4345.9 Ų45.923%0.2322%0.222CC..  trans-89.9-38.1179.2-69.6-60.4000112.2V107 R108 L189 T190V107-D144 HydrophobicContact CG1-CB 3.76Å; R108-D144 PolarHBondContact N-OD2 3.27Å; R108-D144 PolarHBondContact O-N 3.12Å; D144-L189 PolarHBondContact O-N 3.23Å; D144-T190 PolarHBondContact O-N 3.25Å; D144-T190 WeakPolarHBondContact OD1-CG2 3.5Å; D144-T190 PolarHBondContact OD1-OG1 3.19Å; D144-T190 VanDerWaalsContact OD1-OG1 3.05Å
145E96.9Very high96.2Very high14 Ų1454.1 Ų54.17%0.06526%0.258CS..EExtended strand (participates in β ladder)trans-151.8149.9179.461.9176.6-160.200111.8V107 R109 G110 C143 K186 L187V107-E145 HydrophobicContact CG1-CG 3.83Å; R109-E145 CarbonylContact C-O 3.35Å; R109-E145 VanDerWaalsContact CA-O 3.31Å; R109-E145 WeakPolarHBondContact CA-O 3.26Å; R109-E145 HydrophobicContact CB-CG 4.35Å; R109-E145 HydrophobicContact CG-CG 4.24Å; R109-E145 IonicContact CZ-OE1 2.71Å; R109-E145 IonicContact NE-OE1 3.86Å; R109-E145 PolarHBondContact NE-OE1 3.34Å; R109-E145 IonicContact NH2-OE1 3.65Å; R109-E145 PolarHBondContact NH2-OE1 3.23Å; G110-E145 PolarHBondContact N-O 3.32Å; C143-E145 PolarHBondContact SG-O 3.28Å; E145-K186 WeakPolarHBondContact OE2-CD 3.4Å; E145-K186 WeakPolarHBondContact OE2-CE 3.26Å; E145-K186 IonicContact OE2-NZ 2.71Å; E145-L187 CarbonylContact C-O 3.47Å; E145-L187 WeakPolarHBondContact CA-O 3.29Å; E145-L187 WeakPolarHBondContact CB-O 3.46Å
146I98Very high96.1Very high0 Ų056.2 Ų56.20%028%0.278CS..EExtended strand (participates in β ladder)trans-119.2133.6176.3-57171.2000108.5G110 I112 I135 M138 F166 K186 L187 L189G110-I146 WeakPolarHBondContact O-CA 3.41Å; I112-I146 HydrophobicContact CD1-CG2 4.07Å; I112-I146 HydrophobicContact CG1-CG2 4Å; I135-I146 HydrophobicContact CB-CD1 4.11Å; I135-I146 HydrophobicContact CG1-CD1 3.66Å; I135-I146 HydrophobicContact CG2-CD1 4.13Å; M138-I146 HydrophobicContact CB-CD1 4.1Å; M138-I146 HydrophobicContact CG-CD1 4.43Å; M138-I146 HydrophobicContact SD-CD1 3.43Å; M138-I146 WeakPolarHBondContact SD-CD1 3.44Å; M138-I146 HydrophobicContact SD-CG1 3.62Å; M138-I146 HydrophobicContact SD-CG2 4.11Å; I146-F166 HydrophobicContact CB-CE1 4.12Å; I146-F166 HydrophobicContact CB-CZ 4.24Å; I146-F166 HydrophobicContact CG2-CE1 3.88Å; I146-F166 HydrophobicContact CG2-CZ 3.91Å; I146-K186 CarbonylContact O-C 3.57Å; I146-K186 VanDerWaalsContact O-CA 3.29Å; I146-K186 WeakPolarHBondContact O-CA 3.21Å; I146-L187 HydrophobicContact CB-CB 4.42Å; I146-L187 HydrophobicContact CD1-CD2 4.43Å; I146-L187 PolarHBondContact N-O 2.78Å; I146-L187 PolarHBondContact O-N 3.23Å; I146-L189 HydrophobicContact CD1-CD1 3.78Å; I146-L189 HydrophobicContact CD1-CG 4.46Å; I146-L189 HydrophobicContact CG1-CD1 3.93Å
147V97.5Very high96Very high0 Ų052.7 Ų52.70%027%0.265CS..EExtended strand (participates in β ladder)trans-124.8156.7178.6-70.80000111.9R109 G110 Y111 I112 L185 K186R109-V147 HydrophobicContact CG-CG2 3.76Å; G110-V147 WeakPolarHBondContact O-CG2 3.45Å; G110-V147 PolarHBondContact O-N 2.85Å; Y111-V147 WeakPolarHBondContact CA-O 3.46Å; Y111-V147 HydrophobicContact CD2-CG2 3.87Å; I112-V147 PolarHBondContact N-O 2.79Å; V147-L185 VanDerWaalsContact CA-O 3.3Å; V147-L185 WeakPolarHBondContact CA-O 3.3Å; V147-K186 HydrophobicContact CG1-CB 4.1Å; V147-K186 HydrophobicContact CG1-CD 4.32Å; V147-K186 VanDerWaalsContact CG1-CE 3.48Å; V147-K186 HydrophobicContact CG1-CG 3.93Å
148L97.6Very high96Very high2 Ų251.7 Ų51.71%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-159167.1171.765.895.6000110.2I112 A150 Y161 F166 R184 L185I112-L148 HydrophobicContact CB-CB 4.03Å; I112-L148 HydrophobicContact CB-CD2 4.33Å; I112-L148 HydrophobicContact CD1-CD2 3.89Å; L148-A150 HydrophobicContact CD1-CB 4.32Å; L148-Y161 HydrophobicContact CD1-CD2 3.61Å; L148-Y161 HydrophobicContact CD1-CE2 3.47Å; L148-Y161 VanDerWaalsContact CD1-CE2 3.47Å; L148-Y161 HydrophobicContact CD1-CG 4.21Å; L148-Y161 HydrophobicContact CD2-CD1 3.43Å; L148-Y161 VanDerWaalsContact CD2-CD1 3.43Å; L148-Y161 HydrophobicContact CD2-CD2 3.94Å; L148-Y161 HydrophobicContact CD2-CE1 3.35Å; L148-Y161 HydrophobicContact CD2-CE2 3.86Å; L148-Y161 HydrophobicContact CD2-CG 3.75Å; L148-Y161 HydrophobicContact CG-CD2 4.44Å; L148-Y161 HydrophobicContact CG-CE2 4.32Å; L148-F166 HydrophobicContact CD2-CD1 3.95Å; L148-F166 HydrophobicContact CD2-CE1 3.7Å; L148-F166 HydrophobicContact CD2-CZ 4.13Å; L148-R184 CarbonylContact O-C 3.32Å; L148-R184 WeakPolarHBondContact O-CA 3.41Å; L148-L185 HydrophobicContact CD1-CB 4.07Å; L148-L185 HydrophobicContact CD1-CD1 3.7Å; L148-L185 HydrophobicContact CD1-CG 4.43Å; L148-L185 HydrophobicContact CG-CB 4.07Å; L148-L185 PolarHBondContact N-O 2.75Å; L148-L185 VanDerWaalsContact N-O 3.11Å; L148-L185 PolarHBondContact O-N 3.04Å
149E96.7Very high96Very high20 Ų2054.1 Ų54.19%0.09328%0.277CS..EExtended strand (participates in β ladder)trans-118.5141.9167.8-67.884.5-152.800112.6Y111 L172 Y175 Y176 A182 F183 R184Y111-E149 WeakPolarHBondContact CE2-OE2 3.45Å; Y111-E149 PolarHBondContact OH-OE2 2.8Å; E149-L172 HydrophobicContact CG-CD1 3.73Å; E149-Y175 HydrophobicContact CB-CD1 4.17Å; E149-Y175 HydrophobicContact CB-CE1 3.44Å; E149-Y175 VanDerWaalsContact CB-CE1 3.44Å; E149-Y175 HydrophobicContact CG-CD1 4.32Å; E149-Y175 HydrophobicContact CG-CE1 3.48Å; E149-Y175 VanDerWaalsContact CG-CE1 3.48Å; E149-Y175 HydrophobicContact CG-CE2 4.38Å; E149-Y175 VanDerWaalsContact CG-CZ 3.48Å; E149-Y175 PolarHBondContact OE2-OH 2.84Å; E149-Y176 PolarHBondContact O-OH 2.72Å; E149-A182 HydrophobicContact CB-CB 4.12Å; E149-A182 HydrophobicContact CG-CB 4.47Å; E149-F183 VanDerWaalsContact CA-O 3.31Å; E149-F183 WeakPolarHBondContact CA-O 3.12Å; E149-R184 HydrophobicContact CG-CB 4.3Å; E149-R184 IonicContact OE1-CZ 2.75Å; E149-R184 IonicContact OE1-NE 3.48Å; E149-R184 PolarHBondContact OE1-NE 2.75Å; E149-R184 IonicContact OE1-NH2 3.72Å; E149-R184 PolarHBondContact OE1-NH2 3.41Å
150A95.3Very high96.1Very high5 Ų551.3 Ų51.34%0.04126%0.263CS..EExtended strand (participates in β ladder)trans-133142.5172.800000110.4L148 V152 A157 L158 Y176 A182 F183 L185L148-A150 HydrophobicContact CD1-CB 4.32Å; A150-V152 PolarHBondContact O-N 3.23Å; A150-A157 HydrophobicContact CB-CB 4.4Å; A150-L158 HydrophobicContact CB-CD2 3.98Å; A150-Y176 VanDerWaalsContact CA-OH 3.29Å; A150-Y176 WeakPolarHBondContact CA-OH 3.42Å; A150-Y176 PolarHBondContact N-OH 2.8Å; A150-A182 CarbonylContact O-C 3.51Å; A150-A182 VanDerWaalsContact O-CA 3.24Å; A150-A182 WeakPolarHBondContact O-CA 3.41Å; A150-F183 PolarHBondContact N-O 3.42Å; A150-F183 PolarHBondContact O-N 3.4Å; A150-L185 HydrophobicContact CB-CD1 4.04Å
151E94.9Very high96.2Very high17 Ų1744.9 Ų44.98%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-53.6137171.2-69-173.4-17500110.3S63 D153 N154 Y176 N178 R180S63-E151 PolarHBondContact OG-OE1 3.47Å; E151-D153 WeakPolarHBondContact CB-OD1 3.2Å; E151-D153 PolarHBondContact O-N 2.88Å; E151-D153 VanDerWaalsContact O-N 3.11Å; E151-N154 HydrophobicContact CB-CB 4.13Å; E151-N154 WeakPolarHBondContact O-CB 3.34Å; E151-N154 PolarHBondContact O-N 2.77Å; E151-Y176 HydrophobicContact CB-CD2 4.47Å; E151-Y176 HydrophobicContact CB-CE2 4.02Å; E151-Y176 HydrophobicContact CG-CD1 4.44Å; E151-Y176 HydrophobicContact CG-CD2 3.49Å; E151-Y176 VanDerWaalsContact CG-CD2 3.49Å; E151-Y176 HydrophobicContact CG-CE1 4.29Å; E151-Y176 HydrophobicContact CG-CE2 3.28Å; E151-Y176 HydrophobicContact CG-CG 4.07Å; E151-Y176 PolarHBondContact N-OH 3.3Å; E151-N178 PolarHBondContact OE1-ND2 2.9Å; E151-R180 IonicContact OE1-NH1 3.67Å; E151-R180 WeakPolarHBondContact OE2-CD 3.4Å; E151-R180 IonicContact OE2-CZ 2.75Å; E151-R180 IonicContact OE2-NE 2.99Å; E151-R180 IonicContact OE2-NH1 2.68Å; E151-R180 PolarHBondContact OE2-NH1 2.84Å
152V95.9Very high96.4Very high43 Ų4344.7 Ų44.726%0.26123%0.228SC..THydrogen-bonded Turntrans-61.1-23.3-174.7-66.70000113.9A150 L158 D181 F183A150-V152 PolarHBondContact O-N 3.23Å; V152-L158 WeakPolarHBondContact O-CD1 3.27Å; V152-D181 HydrophobicContact CG1-CB 3.7Å; V152-D181 HydrophobicContact CG2-CB 4.06Å; V152-D181 PolarHBondContact N-O 3.46Å; V152-F183 HydrophobicContact CB-CD2 4.18Å; V152-F183 HydrophobicContact CB-CE2 3.89Å; V152-F183 HydrophobicContact CB-CZ 4.49Å; V152-F183 HydrophobicContact CG1-CD1 4.49Å; V152-F183 HydrophobicContact CG1-CD2 3.8Å; V152-F183 HydrophobicContact CG1-CE1 4.43Å; V152-F183 HydrophobicContact CG1-CE2 3.73Å; V152-F183 HydrophobicContact CG1-CG 4.19Å; V152-F183 HydrophobicContact CG1-CZ 4.06Å
153D94.7Very high96.5Very high84 Ų8442.4 Ų42.445%0.44923%0.227SC..THydrogen-bonded Turntrans-97.3-4.1177.861.3-24.2000113.6E151 K155 R180E151-D153 WeakPolarHBondContact CB-OD1 3.2Å; E151-D153 PolarHBondContact O-N 2.88Å; E151-D153 VanDerWaalsContact O-N 3.11Å; D153-K155 PolarHBondContact O-N 3.48Å; D153-R180 IonicContact OD2-CZ 2.77Å; D153-R180 IonicContact OD2-NE 3.48Å; D153-R180 IonicContact OD2-NH1 3.25Å
154N94.3Very high96.6Very high67 Ų6743.9 Ų43.936%0.35823%0.234SC..  trans-7770.9173.9-169.5-14.1000111.3E151 A156 A157 L158E151-N154 HydrophobicContact CB-CB 4.13Å; E151-N154 WeakPolarHBondContact O-CB 3.34Å; E151-N154 PolarHBondContact O-N 2.77Å; N154-A156 PolarHBondContact O-N 2.91Å; N154-A156 VanDerWaalsContact O-N 3.14Å; N154-A157 HydrophobicContact CB-CB 4.3Å; N154-A157 VanDerWaalsContact CG-CB 3.46Å; N154-A157 WeakPolarHBondContact ND2-CB 3.28Å; N154-A157 PolarHBondContact O-N 3.25Å; N154-A157 WeakPolarHBondContact OD1-CB 3.46Å; N154-A157 PolarHBondContact OD1-N 2.71Å; N154-L158 WeakPolarHBondContact O-CG 3.19Å; N154-L158 PolarHBondContact O-N 2.75Å
155K95.8Very high96.7Very high173 Ų17343.2 Ų43.275%0.75224%0.237SC*.Hα-helixtrans-55.5-32.7-178.3-64.2-177.8-178179.20113.1D153 S159D153-K155 PolarHBondContact O-N 3.48Å; K155-S159 VanDerWaalsContact O-CB 3.24Å; K155-S159 WeakPolarHBondContact O-CB 3.43Å; K155-S159 PolarHBondContact O-N 2.93Å
156A94.9Very high96.7Very high64 Ų6442.8 Ų42.853%0.52924%0.235SC..Hα-helixtrans-68.6-48.7-179.800000111.7N154 L160N154-A156 PolarHBondContact O-N 2.91Å; N154-A156 VanDerWaalsContact O-N 3.14Å; A156-L160 WeakPolarHBondContact O-CB 3.36Å; A156-L160 PolarHBondContact O-N 2.93Å
157A95.5Very high96.7Very high20 Ų2050.1 Ų50.117%0.16526%0.264CS..Hα-helixtrans-65.4-45.4176.700000111.4A150 N154 S159 L160 Y161A150-A157 HydrophobicContact CB-CB 4.4Å; N154-A157 HydrophobicContact CB-CB 4.3Å; N154-A157 VanDerWaalsContact CG-CB 3.46Å; N154-A157 WeakPolarHBondContact ND2-CB 3.28Å; N154-A157 PolarHBondContact O-N 3.25Å; N154-A157 WeakPolarHBondContact OD1-CB 3.46Å; N154-A157 PolarHBondContact OD1-N 2.71Å; A157-S159 PolarHBondContact O-N 2.89Å; A157-L160 PolarHBondContact O-N 2.81Å; A157-Y161 HydrophobicContact CB-CD2 4.3Å; A157-Y161 HydrophobicContact CB-CE2 4.03Å; A157-Y161 WeakPolarHBondContact O-CD2 3.28Å; A157-Y161 PolarHBondContact O-N 3.12Å
158L97.4Very high96.7Very high7 Ų755.8 Ų55.84%0.03729%0.285CS..Hα-helixtrans-57.7-48.5178.1-66.2173.7000111.6A150 V152 N154 L160 Y161 E162 F183 L185A150-L158 HydrophobicContact CB-CD2 3.98Å; V152-L158 WeakPolarHBondContact O-CD1 3.27Å; N154-L158 WeakPolarHBondContact O-CG 3.19Å; N154-L158 PolarHBondContact O-N 2.75Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 2.82Å; L158-Y161 PolarHBondContact O-N 3.13Å; L158-E162 WeakPolarHBondContact O-CB 3.38Å; L158-E162 VanDerWaalsContact O-CG 3.22Å; L158-E162 WeakPolarHBondContact O-CG 3.18Å; L158-E162 PolarHBondContact O-N 3.28Å; L158-F183 HydrophobicContact CD1-CD2 4.02Å; L158-F183 HydrophobicContact CD1-CE2 4.32Å; L158-F183 HydrophobicContact CD2-CB 4.26Å; L158-F183 HydrophobicContact CD2-CD2 3.91Å; L158-L185 HydrophobicContact CD2-CD1 3.82Å; L158-L185 HydrophobicContact CD2-CD2 4.28Å
159S97.3Very high96.6Very high52 Ų5258.4 Ų58.436%0.36430%0.299SS..Hα-helixtrans-59.7-43.4176.2-179.10000112K155 A157 Q163K155-S159 VanDerWaalsContact O-CB 3.24Å; K155-S159 WeakPolarHBondContact O-CB 3.43Å; K155-S159 PolarHBondContact O-N 2.93Å; A157-S159 PolarHBondContact O-N 2.89Å; S159-Q163 WeakPolarHBondContact O-CB 3.07Å; S159-Q163 WeakPolarHBondContact O-CG 3.36Å; S159-Q163 PolarHBondContact O-N 3.12Å; S159-Q163 PolarHBondContact O-OE1 3.27Å; S159-Q163 PolarHBondContact OG-OE1 2.9Å
160L97.9Very high96.5Very high29 Ų2963.4 Ų63.415%0.15232%0.321CS..Hα-helixtrans-60.8-48.4179.8175.5148.4000111.5L115 V131 A156 A157 L158 Q163 L164L115-L160 HydrophobicContact CD2-CD2 4.29Å; V131-L160 HydrophobicContact CG2-CD2 4.05Å; A156-L160 WeakPolarHBondContact O-CB 3.36Å; A156-L160 PolarHBondContact O-N 2.93Å; A157-L160 PolarHBondContact O-N 2.81Å; L158-L160 VanDerWaalsContact C-N 3.34Å; L158-L160 PolarHBondContact O-N 2.82Å; L160-Q163 PolarHBondContact O-N 2.74Å; L160-L164 HydrophobicContact CD2-CD1 3.99Å; L160-L164 HydrophobicContact CG-CD1 4.48Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.04Å
161Y98.4Very high96.6Very high14 Ų1470.1 Ų70.16%0.05535%0.345CS..Hα-helixtrans-71.2-39.5-177.4-66.7-56000112I112 L115 V131 L148 A157 L158 Q163 L164 G165 F166I112-Y161 HydrophobicContact CD1-CE1 4.27Å; L115-Y161 HydrophobicContact CD2-CE1 4.36Å; L115-Y161 WeakPolarHBondContact CD2-OH 3.48Å; V131-Y161 HydrophobicContact CG1-CD1 4.45Å; V131-Y161 HydrophobicContact CG1-CE1 4.31Å; V131-Y161 HydrophobicContact CG2-CE1 3.85Å; L148-Y161 HydrophobicContact CD1-CD2 3.61Å; L148-Y161 HydrophobicContact CD1-CE2 3.47Å; L148-Y161 VanDerWaalsContact CD1-CE2 3.47Å; L148-Y161 HydrophobicContact CD1-CG 4.21Å; L148-Y161 HydrophobicContact CD2-CD1 3.43Å; L148-Y161 VanDerWaalsContact CD2-CD1 3.43Å; L148-Y161 HydrophobicContact CD2-CD2 3.94Å; L148-Y161 HydrophobicContact CD2-CE1 3.35Å; L148-Y161 HydrophobicContact CD2-CE2 3.86Å; L148-Y161 HydrophobicContact CD2-CG 3.75Å; L148-Y161 HydrophobicContact CG-CD2 4.44Å; L148-Y161 HydrophobicContact CG-CE2 4.32Å; A157-Y161 HydrophobicContact CB-CD2 4.3Å; A157-Y161 HydrophobicContact CB-CE2 4.03Å; A157-Y161 WeakPolarHBondContact O-CD2 3.28Å; A157-Y161 PolarHBondContact O-N 3.12Å; L158-Y161 PolarHBondContact O-N 3.13Å; Y161-Q163 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 3.19Å; Y161-L164 CarbonylContact O-C 3.57Å; Y161-L164 PolarHBondContact O-N 3.25Å; Y161-G165 PolarHBondContact O-N 2.89Å; Y161-F166 HydrophobicContact CD1-CD2 4.3Å; Y161-F166 HydrophobicContact CD1-CE2 4.3Å; Y161-F166 WeakPolarHBondContact O-CB 3.26Å; Y161-F166 WeakPolarHBondContact O-CD2 3.25Å; Y161-F166 PolarHBondContact O-N 3.44Å
162E98Very high96.7Very high79 Ų7971 Ų7137%0.36935%0.35SS..Hα-helixtrans-61.5-41.2175.3-73.7169.6175.900112.1L158 L164 G165 R168L158-E162 WeakPolarHBondContact O-CB 3.38Å; L158-E162 VanDerWaalsContact O-CG 3.22Å; L158-E162 WeakPolarHBondContact O-CG 3.18Å; L158-E162 PolarHBondContact O-N 3.28Å; E162-L164 PolarHBondContact O-N 2.75Å; E162-G165 PolarHBondContact O-N 3.31Å; E162-R168 IonicContact OE1-CZ 3.79Å; E162-R168 IonicContact OE1-NE 2.69Å; E162-R168 PolarHBondContact OE1-NE 3.48Å; E162-R168 IonicContact OE1-NH2 3.95Å; E162-R168 PolarHBondContact OE1-NH2 2.89Å; E162-R168 IonicContact OE2-NH2 3.22Å
163Q97.6Very high96.6Very high154 Ų15474.6 Ų74.672%0.7237%0.367SS*.Hα-helixtrans-64-24.4174.9-74.1178.3-69.700113.2S159 L160 Y161 G165S159-Q163 WeakPolarHBondContact O-CB 3.07Å; S159-Q163 WeakPolarHBondContact O-CG 3.36Å; S159-Q163 PolarHBondContact O-N 3.12Å; S159-Q163 PolarHBondContact O-OE1 3.27Å; S159-Q163 PolarHBondContact OG-OE1 2.9Å; L160-Q163 PolarHBondContact O-N 2.74Å; Y161-Q163 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 3.19Å; Q163-G165 VanDerWaalsContact C-N 3.31Å
164L97.8Very high96.5Very high35 Ų3579.7 Ų79.718%0.18338%0.38CS..THydrogen-bonded Turntrans-90.78.2175.3-65.7174.4000113V131 Q132 L160 Y161 E162 F166V131-L164 HydrophobicContact CB-CD1 3.64Å; V131-L164 HydrophobicContact CG1-CD1 3.45Å; V131-L164 VanDerWaalsContact CG1-CD1 3.45Å; V131-L164 HydrophobicContact CG2-CD1 4.44Å; Q132-L164 HydrophobicContact CG-CD2 3.72Å; L160-L164 HydrophobicContact CD2-CD1 3.99Å; L160-L164 HydrophobicContact CG-CD1 4.48Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 3.04Å; Y161-L164 CarbonylContact O-C 3.57Å; Y161-L164 PolarHBondContact O-N 3.25Å; E162-L164 PolarHBondContact O-N 2.75Å; L164-F166 HydrophobicContact CB-CD2 4.22Å; L164-F166 HydrophobicContact CB-CE2 4.41Å
165G97.7Very high96.3Very high29 Ų2977.3 Ų77.330%0.29937%0.366SS..THydrogen-bonded Turntrans89.48.3174.900000115Y161 E162 Q163 Y167 L187Y161-G165 PolarHBondContact O-N 2.89Å; E162-G165 PolarHBondContact O-N 3.31Å; Q163-G165 VanDerWaalsContact C-N 3.31Å; G165-Y167 WeakPolarHBondContact O-CD2 3.49Å; G165-Y167 VanDerWaalsContact O-CE2 3.25Å; G165-Y167 WeakPolarHBondContact O-CE2 3.26Å; G165-L187 WeakPolarHBondContact O-CD1 3.48Å
166F98.3Very high96Very high4 Ų470.3 Ų70.32%0.01834%0.335CS..  trans-73.3138.6171.4-71.2-105.3000110.9I112 V131 I135 I146 L148 Y161 L164 L185 K186 L187I112-F166 HydrophobicContact CD1-CZ 3.96Å; V131-F166 HydrophobicContact CG1-CE2 4.23Å; I135-F166 HydrophobicContact CD1-CE2 3.98Å; I135-F166 HydrophobicContact CD1-CZ 4.38Å; I146-F166 HydrophobicContact CB-CE1 4.12Å; I146-F166 HydrophobicContact CB-CZ 4.24Å; I146-F166 HydrophobicContact CG2-CE1 3.88Å; I146-F166 HydrophobicContact CG2-CZ 3.91Å; L148-F166 HydrophobicContact CD2-CD1 3.95Å; L148-F166 HydrophobicContact CD2-CE1 3.7Å; L148-F166 HydrophobicContact CD2-CZ 4.13Å; Y161-F166 HydrophobicContact CD1-CD2 4.3Å; Y161-F166 HydrophobicContact CD1-CE2 4.3Å; Y161-F166 WeakPolarHBondContact O-CB 3.26Å; Y161-F166 WeakPolarHBondContact O-CD2 3.25Å; Y161-F166 PolarHBondContact O-N 3.44Å; L164-F166 HydrophobicContact CB-CD2 4.22Å; L164-F166 HydrophobicContact CB-CE2 4.41Å; F166-L185 HydrophobicContact CB-CB 4.11Å; F166-L185 HydrophobicContact CB-CD2 4.17Å; F166-L185 HydrophobicContact CD1-CB 4.23Å; F166-K186 WeakPolarHBondContact CA-O 3.19Å; F166-L187 HydrophobicContact CD1-CB 3.7Å; F166-L187 HydrophobicContact CD2-CB 4.12Å; F166-L187 HydrophobicContact CD2-CD2 4.44Å; F166-L187 HydrophobicContact CE1-CB 3.63Å; F166-L187 HydrophobicContact CE2-CB 4.08Å; F166-L187 HydrophobicContact CE2-CD2 3.93Å; F166-L187 HydrophobicContact CG-CB 3.94Å; F166-L187 HydrophobicContact CZ-CB 3.84Å; F166-L187 HydrophobicContact CZ-CD2 4.05Å
167Y97.2Very high95.5Very high154 Ų15472.4 Ų72.460%0.60434%0.337SS*.EExtended strand (participates in β ladder)trans-107.8147.3174.8-66.6-93.9000110.6G165 D169 L185 K186 W188G165-Y167 WeakPolarHBondContact O-CD2 3.49Å; G165-Y167 VanDerWaalsContact O-CE2 3.25Å; G165-Y167 WeakPolarHBondContact O-CE2 3.26Å; Y167-D169 PolarHBondContact O-N 3.32Å; Y167-D169 VanDerWaalsContact O-N 3.12Å; Y167-L185 CarbonylContact O-C 3.52Å; Y167-L185 VanDerWaalsContact O-CA 3.23Å; Y167-L185 WeakPolarHBondContact O-CA 3.45Å; Y167-K186 PolarHBondContact N-O 2.96Å; Y167-K186 PolarHBondContact O-N 2.83Å; Y167-W188 HydrophobicContact CD2-CE3 4.2Å; Y167-W188 AromaticContact CD2-CZ3 3.75Å; Y167-W188 HydrophobicContact CD2-CZ3 3.75Å; Y167-W188 HydrophobicContact CG-CZ3 4.03Å
168R97.2Very high95.2Very high119 Ų11975.1 Ų75.145%0.44935%0.348SS..EExtended strand (participates in β ladder)trans-72.7102.7172-58.8-178.4-167.9176.67109.3E162 F183 L185E162-R168 IonicContact OE1-CZ 3.79Å; E162-R168 IonicContact OE1-NE 2.69Å; E162-R168 PolarHBondContact OE1-NE 3.48Å; E162-R168 IonicContact OE1-NH2 3.95Å; E162-R168 PolarHBondContact OE1-NH2 2.89Å; E162-R168 IonicContact OE2-NH2 3.22Å; R168-F183 HydrophobicContact CG-CB 4.49Å; R168-F183 HydrophobicContact CG-CG 4.37Å; R168-L185 HydrophobicContact CG-CD2 4.44Å; R168-L185 HydrophobicContact CG-CG 4.46Å
169D95.4Very high94.8Very high57 Ų5776.7 Ų76.731%0.30537%0.366SS..EExtended strand (participates in β ladder)trans-76.9-47.5-178.7-174.943.1000111.1Y167 R184 K186Y167-D169 PolarHBondContact O-N 3.32Å; Y167-D169 VanDerWaalsContact O-N 3.12Å; D169-R184 PolarHBondContact N-O 3.33Å; D169-K186 HydrophobicContact CB-CB 4.07Å; D169-K186 IonicContact OD2-NZ 3.75Å; D169-K186 PolarHBondContact OD2-NZ 3.47Å
170K95.8Very high94.6Very high126 Ų12679.9 Ų79.955%0.54837%0.37SS..EExtended strand (participates in β ladder)trans-147.5155.8-176-61.5-177-175.9-179.50111.6L172 F183 R184K170-L172 HydrophobicContact CB-CD2 4.45Å; K170-F183 WeakPolarHBondContact O-CA 3.44Å; K170-R184 HydrophobicContact CB-CB 4.39Å; K170-R184 PolarHBondContact N-O 2.76Å; K170-R184 PolarHBondContact O-N 2.76Å
171R97.3Very high94.5Very high145 Ų14579.7 Ų79.755%0.54737%0.369SS..EExtended strand (participates in β ladder)trans-99.5130.2163.2-174.7176.2176166.30.2109.1I173 D181 A182 F183R171-I173 HydrophobicContact CG-CD1 4.31Å; R171-D181 IonicContact CZ-OD2 3.38Å; R171-D181 VanDerWaalsContact CZ-OD2 3.22Å; R171-D181 IonicContact NE-OD2 3.38Å; R171-D181 PolarHBondContact NE-OD2 3.18Å; R171-D181 IonicContact NH2-OD2 3.3Å; R171-D181 PolarHBondContact NH2-OD2 2.98Å; R171-A182 CarbonylContact C-O 3.48Å; R171-A182 WeakPolarHBondContact CA-O 3.22Å; R171-F183 HydrophobicContact CB-CD1 4.15Å; R171-F183 HydrophobicContact CB-CE1 4.09Å; R171-F183 HydrophobicContact CG-CD1 4.4Å; R171-F183 HydrophobicContact CG-CE1 4.19Å
172L95.6Very high94.3Very high37 Ų3779 Ų7919%0.19437%0.366CS..EExtended strand (participates in β ladder)trans-108.5116.5-179.9-53.8178.8000108.7E149 K170 Y175 D181 A182 R184E149-L172 HydrophobicContact CG-CD1 3.73Å; K170-L172 HydrophobicContact CB-CD2 4.45Å; L172-Y175 HydrophobicContact CB-CD2 3.78Å; L172-Y175 HydrophobicContact CB-CG 4.02Å; L172-Y175 HydrophobicContact CD1-CD1 4.5Å; L172-Y175 HydrophobicContact CD1-CD2 3.43Å; L172-Y175 VanDerWaalsContact CD1-CD2 3.43Å; L172-Y175 HydrophobicContact CD1-CE1 4.4Å; L172-Y175 HydrophobicContact CD1-CE2 3.36Å; L172-Y175 HydrophobicContact CD1-CG 4.01Å; L172-Y175 HydrophobicContact CG-CD2 4.24Å; L172-D181 CarbonylContact O-C 3.56Å; L172-D181 VanDerWaalsContact O-CA 3.28Å; L172-D181 WeakPolarHBondContact O-CA 3.42Å; L172-D181 WeakPolarHBondContact O-CB 3.27Å; L172-A182 HydrophobicContact CB-CB 4.31Å; L172-A182 PolarHBondContact N-O 2.9Å; L172-A182 PolarHBondContact O-N 3.22Å; L172-R184 HydrophobicContact CD1-CB 4.21Å; L172-R184 HydrophobicContact CG-CB 4.43Å
173I95.3Very high94.3Very high118 Ų11876.9 Ų76.961%0.60536%0.356SS*.THydrogen-bonded Turntrans-77.7131-175.2-54.6-57.2000110.3R171 Y175 D181R171-I173 HydrophobicContact CG-CD1 4.31Å; I173-Y175 VanDerWaalsContact C-N 3.26Å; I173-Y175 PolarHBondContact O-N 3.19Å; I173-D181 WeakPolarHBondContact CA-OD1 3.3Å
174R92Very high94.3Very high191 Ų19171.5 Ų71.572%0.72133%0.329SS*.THydrogen-bonded Turntrans47.649.5179.6-61.5176.4179.6179.2-0.4112.2R180 D181R174-R180 CarbonylContact C-O 3.59Å; R174-D181 PolarHBondContact N-OD1 3.43Å
175Y90.1Very high94.3Very high16 Ų1669.8 Ų69.86%0.06332%0.32CS..  trans-74.5-41.9-173.5-174.1-108.8000112.2M1 S2 E3 E149 L172 I173 R180 A182M1-Y175 CarbonylContact C-O 3.56Å; M1-Y175 WeakPolarHBondContact CA-O 3.5Å; M1-Y175 PolarHBondContact N-O 3.32Å; S2-Y175 VanDerWaalsContact CA-CE1 3.48Å; S2-Y175 WeakPolarHBondContact CA-OH 3.41Å; S2-Y175 WeakPolarHBondContact CB-OH 2.91Å; S2-Y175 PolarHBondContact N-O 3.28Å; E3-Y175 PolarHBondContact N-OH 3.38Å; E149-Y175 HydrophobicContact CB-CD1 4.17Å; E149-Y175 HydrophobicContact CB-CE1 3.44Å; E149-Y175 VanDerWaalsContact CB-CE1 3.44Å; E149-Y175 HydrophobicContact CG-CD1 4.32Å; E149-Y175 HydrophobicContact CG-CE1 3.48Å; E149-Y175 VanDerWaalsContact CG-CE1 3.48Å; E149-Y175 HydrophobicContact CG-CE2 4.38Å; E149-Y175 VanDerWaalsContact CG-CZ 3.48Å; E149-Y175 PolarHBondContact OE2-OH 2.84Å; L172-Y175 HydrophobicContact CB-CD2 3.78Å; L172-Y175 HydrophobicContact CB-CG 4.02Å; L172-Y175 HydrophobicContact CD1-CD1 4.5Å; L172-Y175 HydrophobicContact CD1-CD2 3.43Å; L172-Y175 VanDerWaalsContact CD1-CD2 3.43Å; L172-Y175 HydrophobicContact CD1-CE1 4.4Å; L172-Y175 HydrophobicContact CD1-CE2 3.36Å; L172-Y175 HydrophobicContact CD1-CG 4.01Å; L172-Y175 HydrophobicContact CG-CD2 4.24Å; I173-Y175 VanDerWaalsContact C-N 3.26Å; I173-Y175 PolarHBondContact O-N 3.19Å; Y175-R180 PolarHBondContact N-O 3.44Å; Y175-A182 HydrophobicContact CD1-CB 3.47Å; Y175-A182 VanDerWaalsContact CD1-CB 3.47Å; Y175-A182 HydrophobicContact CE1-CB 4.23Å; Y175-A182 HydrophobicContact CG-CB 3.74Å
176Y88.7Confident94.3Very high27 Ų2769.3 Ų69.311%0.10631%0.31CS..SBendtrans-84.7158.6179.9-68.3-79.2000111.8E64 E149 A150 E151 N178 G179 R180 A182E64-Y176 HydrophobicContact CG-CD1 3.76Å; E64-Y176 HydrophobicContact CG-CE1 4.28Å; E64-Y176 WeakPolarHBondContact OE1-CA 3.44Å; E64-Y176 WeakPolarHBondContact OE1-CB 3.14Å; E64-Y176 WeakPolarHBondContact OE1-CD1 3.15Å; E149-Y176 PolarHBondContact O-OH 2.72Å; A150-Y176 VanDerWaalsContact CA-OH 3.29Å; A150-Y176 WeakPolarHBondContact CA-OH 3.42Å; A150-Y176 PolarHBondContact N-OH 2.8Å; E151-Y176 HydrophobicContact CB-CD2 4.47Å; E151-Y176 HydrophobicContact CB-CE2 4.02Å; E151-Y176 HydrophobicContact CG-CD1 4.44Å; E151-Y176 HydrophobicContact CG-CD2 3.49Å; E151-Y176 VanDerWaalsContact CG-CD2 3.49Å; E151-Y176 HydrophobicContact CG-CE1 4.29Å; E151-Y176 HydrophobicContact CG-CE2 3.28Å; E151-Y176 HydrophobicContact CG-CG 4.07Å; E151-Y176 PolarHBondContact N-OH 3.3Å; Y176-N178 VanDerWaalsContact CB-OD1 3.27Å; Y176-N178 WeakPolarHBondContact CB-OD1 3.43Å; Y176-N178 PolarHBondContact O-N 3.17Å; Y176-G179 PolarHBondContact O-N 2.82Å; Y176-R180 HydrophobicContact CD2-CB 4.49Å; Y176-R180 PolarHBondContact N-O 3.47Å; Y176-R180 VanDerWaalsContact N-O 3.13Å; Y176-A182 HydrophobicContact CD2-CB 4.14Å; Y176-A182 HydrophobicContact CE2-CB 3.5Å
177L86Confident94.3Very high108 Ų10870.1 Ų70.157%0.56531%0.314SS*.THydrogen-bonded Turntrans-63.8-29.9-178.4-71.3-178.7000112.4V5 E64 P65 G179V5-L177 HydrophobicContact CG1-CD1 4.14Å; V5-L177 HydrophobicContact CG1-CD2 4.15Å; V5-L177 HydrophobicContact CG1-CG 4.17Å; E64-L177 PolarHBondContact OE1-N 2.84Å; E64-L177 WeakPolarHBondContact OE2-CD1 3.33Å; E64-L177 WeakPolarHBondContact OE2-CG 3.42Å; P65-L177 HydrophobicContact CG-CD1 4.37Å; L177-G179 PolarHBondContact O-N 3.17Å
178N87.4Confident94.3Very high77 Ų7766.8 Ų66.841%0.41230%0.301SS..THydrogen-bonded Turntrans-71.50.2173.565.115.3000113.8E151 Y176 R180E151-N178 PolarHBondContact OE1-ND2 2.9Å; Y176-N178 VanDerWaalsContact CB-OD1 3.27Å; Y176-N178 WeakPolarHBondContact CB-OD1 3.43Å; Y176-N178 PolarHBondContact O-N 3.17Å; N178-R180 VanDerWaalsContact C-N 3.32Å; N178-R180 WeakPolarHBondContact OD1-CB 3.32Å; N178-R180 VanDerWaalsContact OD1-CG 3.28Å; N178-R180 WeakPolarHBondContact OD1-CG 3.49Å; N178-R180 PolarHBondContact OD1-N 3.48Å
179G90.3Very high94.1Very high39 Ų3963.3 Ų63.340%0.40229%0.291SS..SBendtrans81.93.2-179.400000114.7Y176 L177Y176-G179 PolarHBondContact O-N 2.82Å; L177-G179 PolarHBondContact O-N 3.17Å
180R92Very high93.5Very high119 Ų11963.6 Ų63.645%0.44930%0.295SS..  trans-71.3147.5175.1-67.5-179.1-176.1169-1111.3E151 D153 R174 Y175 Y176 N178E151-R180 IonicContact OE1-NH1 3.67Å; E151-R180 WeakPolarHBondContact OE2-CD 3.4Å; E151-R180 IonicContact OE2-CZ 2.75Å; E151-R180 IonicContact OE2-NE 2.99Å; E151-R180 IonicContact OE2-NH1 2.68Å; E151-R180 PolarHBondContact OE2-NH1 2.84Å; D153-R180 IonicContact OD2-CZ 2.77Å; D153-R180 IonicContact OD2-NE 3.48Å; D153-R180 IonicContact OD2-NH1 3.25Å; R174-R180 CarbonylContact C-O 3.59Å; Y175-R180 PolarHBondContact N-O 3.44Å; Y176-R180 HydrophobicContact CD2-CB 4.49Å; Y176-R180 PolarHBondContact N-O 3.47Å; Y176-R180 VanDerWaalsContact N-O 3.13Å; N178-R180 VanDerWaalsContact C-N 3.32Å; N178-R180 WeakPolarHBondContact OD1-CB 3.32Å; N178-R180 VanDerWaalsContact OD1-CG 3.28Å; N178-R180 WeakPolarHBondContact OD1-CG 3.49Å; N178-R180 PolarHBondContact OD1-N 3.48Å
181D95.4Very high92.2Very high25 Ų2563.4 Ų63.413%0.13431%0.306CS..  trans-73.7158.2171.1-69.4-4.3000110.5V152 R171 L172 I173 R174V152-D181 HydrophobicContact CG1-CB 3.7Å; V152-D181 HydrophobicContact CG2-CB 4.06Å; V152-D181 PolarHBondContact N-O 3.46Å; R171-D181 IonicContact CZ-OD2 3.38Å; R171-D181 VanDerWaalsContact CZ-OD2 3.22Å; R171-D181 IonicContact NE-OD2 3.38Å; R171-D181 PolarHBondContact NE-OD2 3.18Å; R171-D181 IonicContact NH2-OD2 3.3Å; R171-D181 PolarHBondContact NH2-OD2 2.98Å; L172-D181 CarbonylContact O-C 3.56Å; L172-D181 VanDerWaalsContact O-CA 3.28Å; L172-D181 WeakPolarHBondContact O-CA 3.42Å; L172-D181 WeakPolarHBondContact O-CB 3.27Å; I173-D181 WeakPolarHBondContact CA-OD1 3.3Å; R174-D181 PolarHBondContact N-OD1 3.43Å
182A96.1Very high90.2Very high0 Ų065.3 Ų65.30%031%0.314CS..EExtended strand (participates in β ladder)trans-120.3152.6169.400000111.6E149 A150 R171 L172 Y175 Y176E149-A182 HydrophobicContact CB-CB 4.12Å; E149-A182 HydrophobicContact CG-CB 4.47Å; A150-A182 CarbonylContact O-C 3.51Å; A150-A182 VanDerWaalsContact O-CA 3.24Å; A150-A182 WeakPolarHBondContact O-CA 3.41Å; R171-A182 CarbonylContact C-O 3.48Å; R171-A182 WeakPolarHBondContact CA-O 3.22Å; L172-A182 HydrophobicContact CB-CB 4.31Å; L172-A182 PolarHBondContact N-O 2.9Å; L172-A182 PolarHBondContact O-N 3.22Å; Y175-A182 HydrophobicContact CD1-CB 3.47Å; Y175-A182 VanDerWaalsContact CD1-CB 3.47Å; Y175-A182 HydrophobicContact CE1-CB 4.23Å; Y175-A182 HydrophobicContact CG-CB 3.74Å; Y176-A182 HydrophobicContact CD2-CB 4.14Å; Y176-A182 HydrophobicContact CE2-CB 3.5Å
183F97.6Very high87.9Confident34 Ų3471.6 Ų71.615%0.14934%0.344CS..EExtended strand (participates in β ladder)trans-90.5131.7152.8-70.7-59.7000108.8E149 A150 V152 L158 R168 K170 R171 L185E149-F183 VanDerWaalsContact CA-O 3.31Å; E149-F183 WeakPolarHBondContact CA-O 3.12Å; A150-F183 PolarHBondContact N-O 3.42Å; A150-F183 PolarHBondContact O-N 3.4Å; V152-F183 HydrophobicContact CB-CD2 4.18Å; V152-F183 HydrophobicContact CB-CE2 3.89Å; V152-F183 HydrophobicContact CB-CZ 4.49Å; V152-F183 HydrophobicContact CG1-CD1 4.49Å; V152-F183 HydrophobicContact CG1-CD2 3.8Å; V152-F183 HydrophobicContact CG1-CE1 4.43Å; V152-F183 HydrophobicContact CG1-CE2 3.73Å; V152-F183 HydrophobicContact CG1-CG 4.19Å; V152-F183 HydrophobicContact CG1-CZ 4.06Å; L158-F183 HydrophobicContact CD1-CD2 4.02Å; L158-F183 HydrophobicContact CD1-CE2 4.32Å; L158-F183 HydrophobicContact CD2-CB 4.26Å; L158-F183 HydrophobicContact CD2-CD2 3.91Å; R168-F183 HydrophobicContact CG-CB 4.49Å; R168-F183 HydrophobicContact CG-CG 4.37Å; K170-F183 WeakPolarHBondContact O-CA 3.44Å; R171-F183 HydrophobicContact CB-CD1 4.15Å; R171-F183 HydrophobicContact CB-CE1 4.09Å; R171-F183 HydrophobicContact CG-CD1 4.4Å; R171-F183 HydrophobicContact CG-CE1 4.19Å; F183-L185 HydrophobicContact CB-CD1 4Å; F183-L185 WeakPolarHBondContact O-CD1 3.12Å
184R97.5Very high85.3Confident41 Ų4171.2 Ų71.216%0.15535%0.352CS..EExtended strand (participates in β ladder)trans-82.1118.3159.4176.1165.5-74.4-169.8-8.6107.6E3 L148 E149 D169 K170 L172E3-R184 IonicContact OE1-CZ 2.6Å; E3-R184 IonicContact OE1-NH1 3.55Å; E3-R184 IonicContact OE1-NH2 3.79Å; E3-R184 PolarHBondContact OE1-NH2 2.7Å; L148-R184 CarbonylContact O-C 3.32Å; L148-R184 WeakPolarHBondContact O-CA 3.41Å; E149-R184 HydrophobicContact CG-CB 4.3Å; E149-R184 IonicContact OE1-CZ 2.75Å; E149-R184 IonicContact OE1-NE 3.48Å; E149-R184 PolarHBondContact OE1-NE 2.75Å; E149-R184 IonicContact OE1-NH2 3.72Å; E149-R184 PolarHBondContact OE1-NH2 3.41Å; D169-R184 PolarHBondContact N-O 3.33Å; K170-R184 HydrophobicContact CB-CB 4.39Å; K170-R184 PolarHBondContact N-O 2.76Å; K170-R184 PolarHBondContact O-N 2.76Å; L172-R184 HydrophobicContact CD1-CB 4.21Å; L172-R184 HydrophobicContact CG-CB 4.43Å
185L98.2Very high83Confident0 Ų069.5 Ų69.50%036%0.357CS..EExtended strand (participates in β ladder)trans-100.2148.7174.3-6696.6000109.8V147 L148 A150 L158 F166 Y167 R168 F183V147-L185 VanDerWaalsContact CA-O 3.3Å; V147-L185 WeakPolarHBondContact CA-O 3.3Å; L148-L185 HydrophobicContact CD1-CB 4.07Å; L148-L185 HydrophobicContact CD1-CD1 3.7Å; L148-L185 HydrophobicContact CD1-CG 4.43Å; L148-L185 HydrophobicContact CG-CB 4.07Å; L148-L185 PolarHBondContact N-O 2.75Å; L148-L185 VanDerWaalsContact N-O 3.11Å; L148-L185 PolarHBondContact O-N 3.04Å; A150-L185 HydrophobicContact CB-CD1 4.04Å; L158-L185 HydrophobicContact CD2-CD1 3.82Å; L158-L185 HydrophobicContact CD2-CD2 4.28Å; F166-L185 HydrophobicContact CB-CB 4.11Å; F166-L185 HydrophobicContact CB-CD2 4.17Å; F166-L185 HydrophobicContact CD1-CB 4.23Å; Y167-L185 CarbonylContact O-C 3.52Å; Y167-L185 VanDerWaalsContact O-CA 3.23Å; Y167-L185 WeakPolarHBondContact O-CA 3.45Å; R168-L185 HydrophobicContact CG-CD2 4.44Å; R168-L185 HydrophobicContact CG-CG 4.46Å; F183-L185 HydrophobicContact CB-CD1 4Å; F183-L185 WeakPolarHBondContact O-CD1 3.12Å
186K97.6Very high80.4Confident18 Ų1872 Ų728%0.07839%0.387CS..EExtended strand (participates in β ladder)trans-141.7136.3-178-175.7175.1-75.5174.20111.7E145 I146 V147 F166 Y167 D169 W188E145-K186 WeakPolarHBondContact OE2-CD 3.4Å; E145-K186 WeakPolarHBondContact OE2-CE 3.26Å; E145-K186 IonicContact OE2-NZ 2.71Å; I146-K186 CarbonylContact O-C 3.57Å; I146-K186 VanDerWaalsContact O-CA 3.29Å; I146-K186 WeakPolarHBondContact O-CA 3.21Å; V147-K186 HydrophobicContact CG1-CB 4.1Å; V147-K186 HydrophobicContact CG1-CD 4.32Å; V147-K186 VanDerWaalsContact CG1-CE 3.48Å; V147-K186 HydrophobicContact CG1-CG 3.93Å; F166-K186 WeakPolarHBondContact CA-O 3.19Å; Y167-K186 PolarHBondContact N-O 2.96Å; Y167-K186 PolarHBondContact O-N 2.83Å; D169-K186 HydrophobicContact CB-CB 4.07Å; D169-K186 IonicContact OD2-NZ 3.75Å; D169-K186 PolarHBondContact OD2-NZ 3.47Å; K186-W188 HydrophobicContact CB-CH2 4.46Å; K186-W188 HydrophobicContact CB-CZ2 4.5Å; K186-W188 HydrophobicContact CD-CD2 4.29Å; K186-W188 VanDerWaalsContact CD-CE2 3.49Å; K186-W188 HydrophobicContact CD-CH2 4.23Å; K186-W188 HydrophobicContact CD-CZ2 3.47Å; K186-W188 VanDerWaalsContact CD-CZ2 3.47Å; K186-W188 HydrophobicContact CG-CD2 4.31Å; K186-W188 HydrophobicContact CG-CH2 4.45Å; K186-W188 HydrophobicContact CG-CZ2 4.08Å
187L97.8Very high77.6Confident22 Ų2277.5 Ų77.512%0.11542%0.423CS..EExtended strand (participates in β ladder)trans-115123169.7175.966.3000108.4I135 E145 I146 G165 F166 L189I135-L187 HydrophobicContact CD1-CD2 3.79Å; I135-L187 HydrophobicContact CG1-CD2 4.15Å; I135-L187 HydrophobicContact CG2-CD2 4.25Å; E145-L187 CarbonylContact C-O 3.47Å; E145-L187 WeakPolarHBondContact CA-O 3.29Å; E145-L187 WeakPolarHBondContact CB-O 3.46Å; I146-L187 HydrophobicContact CB-CB 4.42Å; I146-L187 HydrophobicContact CD1-CD2 4.43Å; I146-L187 PolarHBondContact N-O 2.78Å; I146-L187 PolarHBondContact O-N 3.23Å; G165-L187 WeakPolarHBondContact O-CD1 3.48Å; F166-L187 HydrophobicContact CD1-CB 3.7Å; F166-L187 HydrophobicContact CD2-CB 4.12Å; F166-L187 HydrophobicContact CD2-CD2 4.44Å; F166-L187 HydrophobicContact CE1-CB 3.63Å; F166-L187 HydrophobicContact CE2-CB 4.08Å; F166-L187 HydrophobicContact CE2-CD2 3.93Å; F166-L187 HydrophobicContact CG-CB 3.94Å; F166-L187 HydrophobicContact CZ-CB 3.84Å; F166-L187 HydrophobicContact CZ-CD2 4.05Å; L187-L189 HydrophobicContact CD2-CD2 3.81Å; L187-L189 HydrophobicContact CG-CD2 4Å
188W96.1Very high75.5Confident83 Ų8383.7 Ų83.731%0.31446%0.456SS..EExtended strand (participates in β ladder)trans-89.7126.8171.5-63.5-86.6000109.2Y167 K186Y167-W188 HydrophobicContact CD2-CE3 4.2Å; Y167-W188 AromaticContact CD2-CZ3 3.75Å; Y167-W188 HydrophobicContact CD2-CZ3 3.75Å; Y167-W188 HydrophobicContact CG-CZ3 4.03Å; K186-W188 HydrophobicContact CB-CH2 4.46Å; K186-W188 HydrophobicContact CB-CZ2 4.5Å; K186-W188 HydrophobicContact CD-CD2 4.29Å; K186-W188 VanDerWaalsContact CD-CE2 3.49Å; K186-W188 HydrophobicContact CD-CH2 4.23Å; K186-W188 HydrophobicContact CD-CZ2 3.47Å; K186-W188 VanDerWaalsContact CD-CZ2 3.47Å; K186-W188 HydrophobicContact CG-CD2 4.31Å; K186-W188 HydrophobicContact CG-CH2 4.45Å; K186-W188 HydrophobicContact CG-CZ2 4.08Å
189L94.3Very high74.9Confident47 Ų4784 Ų8425%0.24646%0.458CS..  trans-100.7-34.5179.9-63.1176.4000111.6I135 I139 C143 D144 I146 L187I135-L189 HydrophobicContact CG2-CD2 4.08Å; I139-L189 HydrophobicContact CD1-CD2 3.98Å; I139-L189 HydrophobicContact CG1-CD1 3.7Å; I139-L189 HydrophobicContact CG1-CD2 3.92Å; I139-L189 HydrophobicContact CG1-CG 4.3Å; C143-L189 HydrophobicContact CB-CD1 3.79Å; C143-L189 WeakPolarHBondContact O-CB 3.39Å; C143-L189 WeakPolarHBondContact O-CD1 3.47Å; D144-L189 PolarHBondContact O-N 3.23Å; I146-L189 HydrophobicContact CD1-CD1 3.78Å; I146-L189 HydrophobicContact CD1-CG 4.46Å; I146-L189 HydrophobicContact CG1-CD1 3.93Å; L187-L189 HydrophobicContact CD2-CD2 3.81Å; L187-L189 HydrophobicContact CG-CD2 4Å
190T83Confident74.1Confident63 Ų6386.4 Ų86.439%0.38746%0.461SS..SBendtrans-95137170.548.80000110.1D144 R192D144-T190 PolarHBondContact O-N 3.25Å; D144-T190 WeakPolarHBondContact OD1-CG2 3.5Å; D144-T190 PolarHBondContact OD1-OG1 3.19Å; D144-T190 VanDerWaalsContact OD1-OG1 3.05Å; T190-R192 PolarHBondContact O-N 3Å; T190-R192 VanDerWaalsContact O-N 3.11Å
191P67.3Low73.1Confident122 Ų12284.6 Ų84.679%0.79246%0.461SS*.  trans-56.3122.9170.3-19.830.2000108.1M193P191-M193 PolarHBondContact O-N 3.43Å
192R56.6Low71.7Confident185 Ų18588.1 Ų88.170%0.69848%0.481SS*.  trans-57.1115.5167.3-71.6-177.2127.7-179.3-4.1106T190 S194T190-R192 PolarHBondContact O-N 3Å; T190-R192 VanDerWaalsContact O-N 3.11Å; R192-S194 VanDerWaalsContact C-N 3.3Å; R192-S194 PolarHBondContact O-N 3.07Å
193M46.5Very low70.2Confident168 Ų16893.6 Ų93.683%0.82851%0.511SS*.  trans-54.8107.9162.1-70.3-130.8-67.600105.3P191 N195P191-M193 PolarHBondContact O-N 3.43Å; M193-N195 VanDerWaalsContact C-N 3.27Å; M193-N195 PolarHBondContact O-N 2.96Å
194S41.5Very low68.4Low111 Ų11197.5 Ų97.578%0.77654%0.535SS*.  trans-60.198.7171.1470000105.7R192 G196R192-S194 VanDerWaalsContact C-N 3.3Å; R192-S194 PolarHBondContact O-N 3.07Å; S194-G196 PolarHBondContact O-N 3.2Å
195N42.4Very low66.3Low155 Ų155101.6 Ų101.683%0.82956%0.562SS**  trans-57.7111.9168.4-82.4-12.5000106.2M193M193-N195 VanDerWaalsContact C-N 3.27Å; M193-N195 PolarHBondContact O-N 2.96Å
196G35.9Very low63.9Low67 Ų67109.4 Ų109.469%0.69161%0.605SS**  trans-58.5144.4-172.200000111.7S194 L198S194-G196 PolarHBondContact O-N 3.2Å; G196-L198 PolarHBondContact O-N 2.82Å
197V31.1Very low61.1Low143 Ų143117 Ų11787%0.86765%0.649SS**  trans-52.6116.8150.3176.10000107.9
198L40.2Very low57.7Low238 Ų238125.6 Ų125.6100%1.24670%0.698SS**  trans-123.60142.7-77.2178.5000107G196G196-L198 PolarHBondContact O-N 2.82Å

Retrieved 198 of 198 residues in 60.4 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).