A0A024FCJ9_CANLF Loading...

Programmed death 1

AlphaFold DB , UniProt , Accession A0A024FCJ9, Species CANLF (Canis lupus familiaris, Dog), Gene PD-1, Length 288 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.9Very low57.1Low239 Ų239138.4 Ų138.4100%1.17773%0.732SS**  0107.40-77.676151.300109.3
2G44.9Very low57.8Low79 Ų79137.8 Ų137.881%0.81471%0.712SS**  trans-114.7100.1176.200000110R4G2-R4 PolarHBondContact O-N 3.06Å
3S47.7Very low58.5Low106 Ų106130.8 Ų130.874%0.74169%0.687SS**  trans-76.7105.817723.60000109.7R5S3-R5 PolarHBondContact O-N 3.49Å
4R52.9Low59.2Low250 Ų250128.9 Ų128.994%0.94368%0.683SS**  trans-62.8101.8168.9-77.3-177.1174.8-170.3-1.5108.7G2 G6G2-R4 PolarHBondContact O-N 3.06Å; R4-G6 PolarHBondContact O-N 2.85Å
5R58.3Low59.5Low240 Ų240125.3 Ų125.391%0.90666%0.664SS**  trans-70.1106.5164.9-74.2178.5-150.3-129.3-0.1107.4S3S3-R5 PolarHBondContact O-N 3.49Å
6G63.2Low59.7Low47 Ų47125.4 Ų125.449%0.48566%0.659SS.*  trans-63.5163.817000000111.4R4 W8R4-G6 PolarHBondContact O-N 2.85Å; G6-W8 PolarHBondContact O-N 3.29Å
7P61.6Low59.7Low87 Ų87125.9 Ų125.957%0.56566%0.662SS**SBendtrans-78.144.8-174.636.4-36.2000111.4P9 L10 V11P7-P9 VanDerWaalsContact C-N 3.31Å; P7-L10 HydrophobicContact CB-CB 4.44Å; P7-L10 HydrophobicContact CB-CD1 4.06Å; P7-L10 PolarHBondContact O-N 2.84Å; P7-V11 PolarHBondContact O-N 2.85Å
8W61.4Low59.7Low176 Ų176122.3 Ų122.367%0.66766%0.659SS**Hα-helixtrans-49.3-42.9176.9-147.7-115.3000113.3G6 L10 V11 W12G6-W8 PolarHBondContact O-N 3.29Å; W8-L10 VanDerWaalsContact C-N 3.27Å; W8-L10 PolarHBondContact O-N 3.44Å; W8-V11 PolarHBondContact O-N 2.82Å; W8-W12 AromaticContact CD1-CD1 3.4Å; W8-W12 VanDerWaalsContact CD1-CD1 3.4Å; W8-W12 AromaticContact CD1-NE1 3.34Å; W8-W12 VanDerWaalsContact CD1-NE1 3.34Å; W8-W12 AromaticContact CE2-NE1 3.68Å; W8-W12 AromaticContact NE1-CD1 3.56Å; W8-W12 AromaticContact NE1-NE1 2.99Å; W8-W12 VanDerWaalsContact O-CD1 3.28Å; W8-W12 PolarHBondContact O-N 3.37Å
9P65.9Low59.5Low101 Ų101125.5 Ų125.566%0.65666%0.661SS**Hα-helixtrans-65.5-28.4179.423.6-33.5000113.6P7 A13P7-P9 VanDerWaalsContact C-N 3.31Å; P9-A13 WeakPolarHBondContact O-CB 3.03Å; P9-A13 PolarHBondContact O-N 2.84Å
10L64.7Low59.1Low122 Ų122129.2 Ų129.264%0.63967%0.666SS**Hα-helixtrans-73.8-39.2175.9-73.7166000111.3P7 W8 W12 A13 V14P7-L10 HydrophobicContact CB-CB 4.44Å; P7-L10 HydrophobicContact CB-CD1 4.06Å; P7-L10 PolarHBondContact O-N 2.84Å; W8-L10 VanDerWaalsContact C-N 3.27Å; W8-L10 PolarHBondContact O-N 3.44Å; L10-W12 VanDerWaalsContact C-N 3.33Å; L10-W12 PolarHBondContact O-N 3.41Å; L10-A13 PolarHBondContact O-N 2.77Å; L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 3.22Å
11V67.9Low58.6Low75 Ų75127 Ų12746%0.45566%0.66SS.*Hα-helixtrans-64.5-40175.6-179.80000110.8P7 W8 V14 L15P7-V11 PolarHBondContact O-N 2.85Å; W8-V11 PolarHBondContact O-N 2.82Å; V11-V14 PolarHBondContact O-N 2.92Å; V11-L15 PolarHBondContact O-N 2.82Å
12W65.6Low59.2Low132 Ų132119.5 Ų119.550%0.564%0.644SS.*Hα-helixtrans-66.1-39.3174-86.293.8000113.2W8 L10 L15 Q16W8-W12 AromaticContact CD1-CD1 3.4Å; W8-W12 VanDerWaalsContact CD1-CD1 3.4Å; W8-W12 AromaticContact CD1-NE1 3.34Å; W8-W12 VanDerWaalsContact CD1-NE1 3.34Å; W8-W12 AromaticContact CE2-NE1 3.68Å; W8-W12 AromaticContact NE1-CD1 3.56Å; W8-W12 AromaticContact NE1-NE1 2.99Å; W8-W12 VanDerWaalsContact O-CD1 3.28Å; W8-W12 PolarHBondContact O-N 3.37Å; L10-W12 VanDerWaalsContact C-N 3.33Å; L10-W12 PolarHBondContact O-N 3.41Å; W12-L15 PolarHBondContact O-N 3.34Å; W12-Q16 WeakPolarHBondContact O-CG 3.36Å; W12-Q16 PolarHBondContact O-N 2.91Å
13A66.6Low59.4Low46 Ų46126 Ų12638%0.3864%0.644SS.*Hα-helixtrans-63.8-40.8175.700000112.1P9 L10 Q16 L17P9-A13 WeakPolarHBondContact O-CB 3.03Å; P9-A13 PolarHBondContact O-N 2.84Å; L10-A13 PolarHBondContact O-N 2.77Å; A13-Q16 PolarHBondContact O-N 2.93Å; A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.32Å
14V68.6Low59.5Low104 Ų104128.5 Ų128.563%0.6365%0.648SS**Hα-helixtrans-69-38.5176.5176.60000111.3L10 V11 L17 G18L10-V14 WeakPolarHBondContact O-CG2 3.26Å; L10-V14 PolarHBondContact O-N 3.22Å; V11-V14 PolarHBondContact O-N 2.92Å; V14-L17 PolarHBondContact O-N 2.85Å; V14-G18 PolarHBondContact O-N 2.94Å
15L64Low59.3Low76 Ų76124.6 Ų124.640%0.39865%0.645SS.*Hα-helixtrans-65-37.9175.2-123.795.2000112.3V11 W12 G18 W19V11-L15 PolarHBondContact O-N 2.82Å; W12-L15 PolarHBondContact O-N 3.34Å; L15-G18 PolarHBondContact O-N 3.28Å; L15-W19 HydrophobicContact CD2-CH2 3.69Å; L15-W19 HydrophobicContact CD2-CZ2 3.61Å; L15-W19 HydrophobicContact CD2-CZ3 4.31Å; L15-W19 HydrophobicContact CG-CZ2 4.47Å; L15-W19 PolarHBondContact O-N 2.93Å
16Q62.6Low58.5Low127 Ų127120.2 Ų120.259%0.59364%0.639SS**Hα-helixtrans-70.4-32.9176.4-74.5-160.2-15.300112.8W12 A13 G18W12-Q16 WeakPolarHBondContact O-CG 3.36Å; W12-Q16 PolarHBondContact O-N 2.91Å; A13-Q16 PolarHBondContact O-N 2.93Å; Q16-G18 VanDerWaalsContact C-N 3.33Å
17L59.6Low57.7Low134 Ų134122.3 Ų122.370%0.70265%0.647SS**Hα-helixtrans-73.9-24.2173.4-71.3166.8000112.8A13 V14A13-L17 WeakPolarHBondContact O-CG 3.2Å; A13-L17 PolarHBondContact O-N 3.32Å; V14-L17 PolarHBondContact O-N 2.85Å
18G59.8Low57Low60 Ų60123.5 Ų123.562%0.61966%0.655SS**THydrogen-bonded Turntrans-81.8-6.8175.100000115.3V14 L15 Q16V14-G18 PolarHBondContact O-N 2.94Å; L15-G18 PolarHBondContact O-N 3.28Å; Q16-G18 VanDerWaalsContact C-N 3.33Å
19W56.2Low56.5Low184 Ų184120.5 Ų120.570%0.69765%0.652SS**THydrogen-bonded Turntrans-11316.3-177.3-72.7-9.6000114.4L15 P21L15-W19 HydrophobicContact CD2-CH2 3.69Å; L15-W19 HydrophobicContact CD2-CZ2 3.61Å; L15-W19 HydrophobicContact CD2-CZ3 4.31Å; L15-W19 HydrophobicContact CG-CZ2 4.47Å; L15-W19 PolarHBondContact O-N 2.93Å; W19-P21 VanDerWaalsContact O-CD 3.25Å; W19-P21 WeakPolarHBondContact O-CD 3.31Å
20W50.8Low55.7Low198 Ų198124 Ų12475%0.7565%0.652SS**SBendtrans-73.2112161.9-7463000106.7G22W20-G22 PolarHBondContact O-N 3.39Å
21P49Very low55.1Low85 Ų85123.9 Ų123.955%0.55266%0.658SS**  trans-61.9143.81763.510.7000107.1W19 W23W19-P21 VanDerWaalsContact O-CD 3.25Å; W19-P21 WeakPolarHBondContact O-CD 3.31Å; P21-W23 VanDerWaalsContact CB-CD1 3.43Å; P21-W23 VanDerWaalsContact O-CD1 3.26Å; P21-W23 PolarHBondContact O-N 2.97Å
22G51.2Low54.5Low80 Ų80124.4 Ų124.483%0.82565%0.652SS**SBendtrans-6561.5-177.500000114W20 L24W20-G22 PolarHBondContact O-N 3.39Å; G22-L24 PolarHBondContact O-N 3.3Å
23W50.7Low54.2Low215 Ų215119.6 Ų119.681%0.81464%0.638SS**THydrogen-bonded Turntrans-83.56.2172.6-66.697.5000112.4P21P21-W23 VanDerWaalsContact CB-CD1 3.43Å; P21-W23 VanDerWaalsContact O-CD1 3.26Å; P21-W23 PolarHBondContact O-N 2.97Å
24L48.7Very low54.8Low159 Ų159122.2 Ų122.283%0.83265%0.652SS**THydrogen-bonded Turntrans-110.513.2-177.5-85.1160.9000113.9G22G22-L24 PolarHBondContact O-N 3.3Å
25L49.9Very low55.9Low169 Ų169117.4 Ų117.489%0.88562%0.622SS**  trans-113.123.2165.4-108.899.7000112.7S27L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.45Å; L25-S27 VanDerWaalsContact O-N 3.07Å
26D41.1Very low57.4Low147 Ų147117 Ų11779%0.78662%0.624SS**SBendtrans-70.2101.2149.9-127.33000104.9
27S45.2Very low59Low91 Ų91111.6 Ų111.664%0.63660%0.598SS**  trans-48127.6164.5178.30000105.5L25 D29L25-S27 VanDerWaalsContact C-N 3.27Å; L25-S27 PolarHBondContact O-N 3.45Å; L25-S27 VanDerWaalsContact O-N 3.07Å; S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 3.37Å
28P47.2Very low60.8Low113 Ų113107.7 Ų107.773%0.73458%0.582SS**  trans-57.8113168.625.9-29.2000103.9R30P28-R30 VanDerWaalsContact C-N 3.35Å; P28-R30 PolarHBondContact O-N 2.95Å
29D51.8Low62.7Low113 Ų113107.5 Ų107.560%0.60457%0.57SS**  trans-42.1110.9168.2-93.4-51.3000105.2S27 W32S27-D29 VanDerWaalsContact C-N 3.33Å; S27-D29 PolarHBondContact O-N 3.37Å; D29-W32 PolarHBondContact OD1-NE1 3.29Å
30R48.9Very low64.6Low174 Ų174102 Ų10266%0.65756%0.563SS**  trans-45.7133.8171.2170.2179.7-71.5-115-1.6104.8P28 W32P28-R30 VanDerWaalsContact C-N 3.35Å; P28-R30 PolarHBondContact O-N 2.95Å; R30-W32 VanDerWaalsContact O-CG 3.29Å; R30-W32 PolarHBondContact O-N 3.07Å; R30-W32 PolarHBondContact O-NE1 2.93Å
31P51.9Low66.9Low119 Ų11999.5 Ų99.577%0.77356%0.56SS**  trans-56.797.8175.4-19.630.1000107S33P31-S33 PolarHBondContact O-N 3.24Å; P31-S33 VanDerWaalsContact O-N 3.11Å
32W55.7Low69.3Low87 Ų8797 Ų9733%0.3354%0.542SS..PPolyproline II helixtrans-65.7120-171.6-61.791.5000105.1D29 R30D29-W32 PolarHBondContact OD1-NE1 3.29Å; R30-W32 VanDerWaalsContact O-CG 3.29Å; R30-W32 PolarHBondContact O-N 3.07Å; R30-W32 PolarHBondContact O-NE1 2.93Å
33S57.8Low71.5Confident30 Ų3097.6 Ų97.621%0.2153%0.529CS..PPolyproline II helixtrans-56.7126.3-171.3-66.30000110P31 L35 A57 D58P31-S33 PolarHBondContact O-N 3.24Å; P31-S33 VanDerWaalsContact O-N 3.11Å; S33-L35 PolarHBondContact O-N 2.93Å; S33-A57 VanDerWaalsContact CB-CB 3.43Å; S33-D58 WeakPolarHBondContact CB-OD2 3.41Å; S33-D58 PolarHBondContact OG-OD2 2.92Å
34P80.9Confident73.8Confident102 Ų10288 Ų8866%0.66250%0.495SS*.PPolyproline II helixtrans-65.1134.4-173.424.3-32000110T36P34-T36 PolarHBondContact O-N 3.48Å
35L91.6Very high76.1Confident2 Ų283.5 Ų83.51%0.0147%0.47CS..PPolyproline II helixtrans-61133.5167-8671.3000108.2S33 S55 L56 L65 A125 N135 P138S33-L35 PolarHBondContact O-N 2.93Å; L35-S55 WeakPolarHBondContact CA-O 3.36Å; L35-L56 HydrophobicContact CD1-CD1 3.53Å; L35-L56 HydrophobicContact CG-CD1 4Å; L35-L65 HydrophobicContact CD2-CD1 4.19Å; L35-A125 HydrophobicContact CD1-CB 4.06Å; L35-A125 HydrophobicContact CD2-CB 3.89Å; L35-A125 HydrophobicContact CG-CB 4.49Å; L35-N135 HydrophobicContact CD1-CB 3.56Å; L35-P138 WeakPolarHBondContact O-CD 3.32Å
36T94.9Very high78.4Confident69 Ų6979 Ų7942%0.42344%0.444SS..EExtended strand (participates in β ladder)trans-106.3144.6171.4680000110P34 C54 S55P34-T36 PolarHBondContact O-N 3.48Å; T36-C54 CarbonylContact O-C 3.52Å; T36-C54 VanDerWaalsContact O-CA 3.28Å; T36-C54 WeakPolarHBondContact O-CA 3.34Å; T36-S55 PolarHBondContact N-O 2.9Å; T36-S55 PolarHBondContact O-N 2.95Å; T36-S55 VanDerWaalsContact OG1-CB 3.26Å; T36-S55 WeakPolarHBondContact OG1-CB 3.35Å
37F96.9Very high81Confident13 Ų1373.8 Ų73.86%0.05743%0.425CS..EExtended strand (participates in β ladder)trans-132.7118.8176.4-165.5-122.5000109.1F52 T53 C54 W67 M108 Y121 C123 S137 A140F37-F52 HydrophobicContact CD2-CB 4.23Å; F37-F52 HydrophobicContact CE1-CB 4.09Å; F37-F52 AromaticContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD2 4.41Å; F37-F52 AromaticContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE2-CB 3.41Å; F37-F52 VanDerWaalsContact CE2-CB 3.41Å; F37-F52 HydrophobicContact CE2-CG 4.12Å; F37-F52 HydrophobicContact CZ-CB 3.32Å; F37-F52 HydrophobicContact CZ-CD1 4.03Å; F37-F52 AromaticContact CZ-CD2 3.95Å; F37-F52 HydrophobicContact CZ-CD2 3.95Å; F37-F52 AromaticContact CZ-CG 3.5Å; F37-F52 HydrophobicContact CZ-CG 3.5Å; F37-T53 WeakPolarHBondContact CA-O 3.47Å; F37-C54 HydrophobicContact CD2-CB 3.94Å; F37-C54 HydrophobicContact CE2-CB 4.34Å; F37-W67 AromaticContact CZ-NE1 3.87Å; F37-M108 HydrophobicContact CD2-SD 4.44Å; F37-M108 HydrophobicContact CE2-CB 4.42Å; F37-M108 HydrophobicContact CE2-CG 4.39Å; F37-M108 HydrophobicContact CE2-SD 3.58Å; F37-M108 VanDerWaalsContact CE2-SD 3.58Å; F37-M108 HydrophobicContact CZ-SD 4.28Å; F37-Y121 WeakPolarHBondContact CE1-O 3.28Å; F37-C123 HydrophobicContact CD2-CB 4.19Å; F37-C123 HydrophobicContact CE2-CB 4.37Å; F37-S137 VanDerWaalsContact CB-OG 3.28Å; F37-S137 WeakPolarHBondContact CB-OG 3.18Å; F37-A140 HydrophobicContact CD1-CB 3.5Å; F37-A140 HydrophobicContact CE1-CB 3.67Å
38S97.2Very high83.5Confident52 Ų5274 Ų7436%0.36442%0.416SS..EExtended strand (participates in β ladder)trans-138152.4-170.465.50000112.6F52 T53S38-F52 CarbonylContact O-C 3.45Å; S38-F52 WeakPolarHBondContact O-CA 3.25Å; S38-T53 PolarHBondContact N-O 3.13Å; S38-T53 PolarHBondContact O-N 2.95Å
39P98.3Very high85.9Confident56 Ų5673.4 Ų73.436%0.36441%0.407SS..  cis-70163.4-9.133.2-36.8000111.8Q41 L42 A140P39-Q41 VanDerWaalsContact C-N 3.27Å; P39-Q41 WeakPolarHBondContact CG-O 3.26Å; P39-Q41 PolarHBondContact O-N 3.44Å; P39-L42 HydrophobicContact CG-CB 4.04Å; P39-L42 HydrophobicContact CG-CD1 4.22Å; P39-A140 VanDerWaalsContact O-CB 3.24Å; P39-A140 WeakPolarHBondContact O-CB 3.02Å
40A97.8Very high88.1Confident68 Ų6868 Ų6856%0.56238%0.378SS*.SBendtrans-69-26.2178.300000113A140 E141A40-A140 CarbonylContact O-C 3.48Å; A40-A140 WeakPolarHBondContact O-CA 3.46Å; A40-E141 PolarHBondContact O-N 3.5Å
41Q98.3Very high90.5Very high145 Ų14562.2 Ų62.268%0.67836%0.362SS*.EExtended strand (participates in β ladder)trans-136.7133.6172.2-65.3178.223.400108.1P39 E141P39-Q41 VanDerWaalsContact C-N 3.27Å; P39-Q41 WeakPolarHBondContact CG-O 3.26Å; P39-Q41 PolarHBondContact O-N 3.44Å; Q41-E141 CarbonylContact C-O 3.56Å; Q41-E141 WeakPolarHBondContact CA-O 3.36Å; Q41-E141 HydrophobicContact CG-CB 4.25Å
42L98.4Very high92.7Very high32 Ų3256.5 Ų56.517%0.16833%0.325CS..EExtended strand (participates in β ladder)trans-130.6128.7178.7-179.360.6000108.9P39 V44 A50 T51 F52 E141 L142 S143P39-L42 HydrophobicContact CG-CB 4.04Å; P39-L42 HydrophobicContact CG-CD1 4.22Å; L42-V44 HydrophobicContact CD1-CG1 4.28Å; L42-V44 HydrophobicContact CG-CG1 4.16Å; L42-A50 HydrophobicContact CD2-CB 3.99Å; L42-T51 WeakPolarHBondContact CD2-O 3.46Å; L42-F52 HydrophobicContact CB-CE1 3.67Å; L42-F52 HydrophobicContact CB-CZ 3.7Å; L42-F52 HydrophobicContact CD2-CD1 4.43Å; L42-F52 HydrophobicContact CD2-CD2 4.37Å; L42-F52 HydrophobicContact CD2-CE1 4.06Å; L42-F52 HydrophobicContact CD2-CE2 4Å; L42-F52 HydrophobicContact CD2-CZ 3.83Å; L42-F52 HydrophobicContact CG-CZ 4.4Å; L42-E141 PolarHBondContact N-O 3.02Å; L42-L142 HydrophobicContact CB-CD1 4.17Å; L42-L142 HydrophobicContact CD2-CD1 4.03Å; L42-L142 HydrophobicContact CG-CD1 4Å; L42-L142 CarbonylContact O-C 3.55Å; L42-L142 WeakPolarHBondContact O-CA 3.29Å; L42-S143 PolarHBondContact O-N 2.88Å
43T98.4Very high94.7Very high93 Ų9353.9 Ų53.957%0.57132%0.318SS*.EExtended strand (participates in β ladder)trans-119.8129.1175.1-54.20000109.3S143 T145T43-S143 VanDerWaalsContact CA-O 3.27Å; T43-S143 WeakPolarHBondContact CA-O 3.49Å; T43-T145 HydrophobicContact CG2-CG2 3.95Å
44V98.1Very high96.5Very high14 Ų1452.4 Ų52.49%0.08531%0.308CS..EExtended strand (participates in β ladder)trans-137.3157.7178.9-60.60000110.4L42 E48 A50 A113 L142 S143 V144 T145L42-V44 HydrophobicContact CD1-CG1 4.28Å; L42-V44 HydrophobicContact CG-CG1 4.16Å; V44-E48 HydrophobicContact CB-CB 4.35Å; V44-A50 HydrophobicContact CG1-CB 4.26Å; V44-A50 HydrophobicContact CG2-CB 4.1Å; V44-A113 HydrophobicContact CG2-CB 4Å; V44-L142 HydrophobicContact CG2-CD1 4.12Å; V44-S143 PolarHBondContact N-O 2.04Å; V44-V144 HydrophobicContact CG2-CG1 4.41Å; V44-V144 HydrophobicContact CG2-CG2 4.04Å; V44-V144 CarbonylContact O-C 3.49Å; V44-V144 WeakPolarHBondContact O-CA 3.28Å; V44-T145 PolarHBondContact O-N 3.39Å; V44-T145 PolarHBondContact O-OG1 3.21Å
45Q97.8Very high97.2Very high65 Ų6548.7 Ų48.730%0.30429%0.285SS..EExtended strand (participates in β ladder)trans-82.7154.4171.1-59.4-167.92000111.6G47 E48 T145Q45-G47 PolarHBondContact O-N 3.03Å; Q45-E48 HydrophobicContact CB-CG 4.08Å; Q45-E48 PolarHBondContact N-OE2 3.41Å; Q45-E48 VanDerWaalsContact O-CB 3.29Å; Q45-E48 WeakPolarHBondContact O-CB 3.22Å; Q45-E48 PolarHBondContact O-N 3.44Å; Q45-T145 CarbonylContact C-O 3.54Å
46E97.6Very high97.2Very high73 Ų7348.7 Ų48.734%0.34128%0.284SS..THydrogen-bonded Turntrans-57.3131.1174.5-175.2172.5-13800111.3E48 V144 T145 R147E46-E48 VanDerWaalsContact C-N 3.34Å; E46-V144 HydrophobicContact CB-CG1 4.22Å; E46-T145 PolarHBondContact N-O 3.02Å; E46-R147 HydrophobicContact CB-CB 4.43Å
47G96.3Very high96.7Very high38 Ų3848.3 Ų48.339%0.39229%0.288SS..THydrogen-bonded Turntrans88.6-11.3-174.700000114.8Q45 A113Q45-G47 PolarHBondContact O-N 3.03Å; G47-A113 PolarHBondContact N-O 3.49Å
48E97.6Very high95.9Very high97 Ų9751.7 Ų51.745%0.45331%0.307SS..SBendtrans-78.9167172.2-62.1-172.214200112V44 Q45 E46 A113V44-E48 HydrophobicContact CB-CB 4.35Å; Q45-E48 HydrophobicContact CB-CG 4.08Å; Q45-E48 PolarHBondContact N-OE2 3.41Å; Q45-E48 VanDerWaalsContact O-CB 3.29Å; Q45-E48 WeakPolarHBondContact O-CB 3.22Å; Q45-E48 PolarHBondContact O-N 3.44Å; E46-E48 VanDerWaalsContact C-N 3.34Å; E48-A113 WeakPolarHBondContact O-CB 3.37Å; E48-A113 PolarHBondContact O-N 2.68Å
49N97.9Very high95.2Very high100 Ų10052 Ų5254%0.53530%0.304SS..PPolyproline II helixtrans-90.6124174.9-66.1-14.5000110.1I110 V111 A112N49-I110 VanDerWaalsContact CA-O 3.27Å; N49-I110 WeakPolarHBondContact CA-O 3.49Å; N49-V111 WeakPolarHBondContact OD1-CA 3.29Å; N49-A112 PolarHBondContact OD1-N 2.82Å; N49-A112 VanDerWaalsContact OD1-N 3.16Å
50A98.1Very high94.3Very high0 Ų051 Ų510%030%0.297CS..EExtended strand (participates in β ladder)trans-90.9133.4169.900000109.3L42 V44 S109 I110 L142L42-A50 HydrophobicContact CD2-CB 3.99Å; V44-A50 HydrophobicContact CG1-CB 4.26Å; V44-A50 HydrophobicContact CG2-CB 4.1Å; A50-S109 CarbonylContact O-C 3.59Å; A50-S109 WeakPolarHBondContact O-CA 3.49Å; A50-I110 HydrophobicContact CB-CB 4.24Å; A50-I110 HydrophobicContact CB-CD1 4.42Å; A50-I110 HydrophobicContact CB-CG1 4.34Å; A50-I110 PolarHBondContact N-O 2.89Å; A50-I110 PolarHBondContact O-N 2.87Å; A50-L142 HydrophobicContact CB-CD1 3.73Å; A50-L142 HydrophobicContact CB-CD2 4.07Å
51T98.1Very high93.5Very high51 Ų5156.3 Ų56.331%0.31332%0.316SS..EExtended strand (participates in β ladder)trans-135.8126179.4-51.30000110.7L42 H107 M108L42-T51 WeakPolarHBondContact CD2-O 3.46Å; T51-H107 HydrophobicContact CG2-CB 4.12Å; T51-M108 WeakPolarHBondContact CA-O 3.4Å
52F98.4Very high92.9Very high0 Ų052.3 Ų52.30%030%0.304CS..EExtended strand (participates in β ladder)trans-107.2154.8167.2-63.7-83.9000110.3F37 S38 L42 W67 H107 M108 Y121 A140 L142F37-F52 HydrophobicContact CD2-CB 4.23Å; F37-F52 HydrophobicContact CE1-CB 4.09Å; F37-F52 AromaticContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD1 3.96Å; F37-F52 HydrophobicContact CE1-CD2 4.41Å; F37-F52 AromaticContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE1-CG 3.9Å; F37-F52 HydrophobicContact CE2-CB 3.41Å; F37-F52 VanDerWaalsContact CE2-CB 3.41Å; F37-F52 HydrophobicContact CE2-CG 4.12Å; F37-F52 HydrophobicContact CZ-CB 3.32Å; F37-F52 HydrophobicContact CZ-CD1 4.03Å; F37-F52 AromaticContact CZ-CD2 3.95Å; F37-F52 HydrophobicContact CZ-CD2 3.95Å; F37-F52 AromaticContact CZ-CG 3.5Å; F37-F52 HydrophobicContact CZ-CG 3.5Å; S38-F52 CarbonylContact O-C 3.45Å; S38-F52 WeakPolarHBondContact O-CA 3.25Å; L42-F52 HydrophobicContact CB-CE1 3.67Å; L42-F52 HydrophobicContact CB-CZ 3.7Å; L42-F52 HydrophobicContact CD2-CD1 4.43Å; L42-F52 HydrophobicContact CD2-CD2 4.37Å; L42-F52 HydrophobicContact CD2-CE1 4.06Å; L42-F52 HydrophobicContact CD2-CE2 4Å; L42-F52 HydrophobicContact CD2-CZ 3.83Å; L42-F52 HydrophobicContact CG-CZ 4.4Å; F52-W67 HydrophobicContact CD2-CZ2 4.34Å; F52-H107 WeakPolarHBondContact O-CA 3.44Å; F52-M108 HydrophobicContact CB-CB 4.41Å; F52-M108 PolarHBondContact N-O 2.86Å; F52-M108 PolarHBondContact O-N 2.86Å; F52-Y121 HydrophobicContact CE2-CD2 4.48Å; F52-A140 HydrophobicContact CD1-CB 4.02Å; F52-A140 HydrophobicContact CE1-CB 3.66Å; F52-A140 HydrophobicContact CZ-CB 4.44Å; F52-L142 HydrophobicContact CE2-CB 4.2Å; F52-L142 HydrophobicContact CE2-CD1 4.45Å; F52-L142 HydrophobicContact CZ-CB 3.94Å; F52-L142 HydrophobicContact CZ-CD1 4.36Å
53T97.9Very high92.5Very high31 Ų3151.7 Ų51.719%0.1930%0.3CS..EExtended strand (participates in β ladder)trans-111.7117.9173.2-550000109.1F37 S38 D105 F106F37-T53 WeakPolarHBondContact CA-O 3.47Å; S38-T53 PolarHBondContact N-O 3.13Å; S38-T53 PolarHBondContact O-N 2.95Å; T53-D105 HydrophobicContact CG2-CB 4Å; T53-F106 WeakPolarHBondContact CA-O 3.27Å
54C96.6Very high92.2Very high0 Ų048.3 Ų48.30%028%0.279CS..EExtended strand (participates in β ladder)trans-97.9123.2167.9-1760000108.7T36 F37 D105 F106 M108 C123T36-C54 CarbonylContact O-C 3.52Å; T36-C54 VanDerWaalsContact O-CA 3.28Å; T36-C54 WeakPolarHBondContact O-CA 3.34Å; F37-C54 HydrophobicContact CD2-CB 3.94Å; F37-C54 HydrophobicContact CE2-CB 4.34Å; C54-D105 CarbonylContact O-C 3.54Å; C54-D105 WeakPolarHBondContact O-CA 3.36Å; C54-F106 HydrophobicContact CB-CB 4.45Å; C54-F106 PolarHBondContact N-O 2.93Å; C54-F106 PolarHBondContact O-N 2.83Å; C54-M108 HydrophobicContact CB-CE 3.66Å; C54-M108 HydrophobicContact CB-SD 4.06Å; C54-C123 HydrophobicContact CB-CB 3.72Å; C54-C123 WeakPolarHBondContact CB-SG 3.36Å; C54-C123 WeakPolarHBondContact SG-CB 3.46Å; C54-C123 CovalentContact SG-SG 2.04Å; C54-C123 PolarHBondContact SG-SG 2.69Å
55S94.8Very high92Very high24 Ų2447.6 Ų47.617%0.16828%0.275CS..EExtended strand (participates in β ladder)trans-115.2134.5179.3-53.50000110.6L35 T36 D105L35-S55 WeakPolarHBondContact CA-O 3.36Å; T36-S55 PolarHBondContact N-O 2.9Å; T36-S55 PolarHBondContact O-N 2.95Å; T36-S55 VanDerWaalsContact OG1-CB 3.26Å; T36-S55 WeakPolarHBondContact OG1-CB 3.35Å; S55-D105 WeakPolarHBondContact CB-OD1 3.45Å; S55-D105 PolarHBondContact OG-OD1 3.15Å
56L91.3Very high91.8Very high1 Ų144.8 Ų44.81%0.00526%0.262CS..  trans-115.6109.8176.3-175.257000108L35 D58 I59 F63 R104 F106 A125L35-L56 HydrophobicContact CD1-CD1 3.53Å; L35-L56 HydrophobicContact CG-CD1 4Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 WeakPolarHBondContact CG-O 3.4Å; L56-D58 PolarHBondContact O-N 3.41Å; L56-I59 HydrophobicContact CB-CD1 3.88Å; L56-I59 HydrophobicContact CD2-CD1 3.99Å; L56-I59 HydrophobicContact CG-CD1 4.06Å; L56-F63 HydrophobicContact CD2-CD2 4.17Å; L56-F63 HydrophobicContact CD2-CE2 4.09Å; L56-R104 PolarHBondContact N-O 2.97Å; L56-R104 WeakPolarHBondContact O-CB 3.32Å; L56-F106 HydrophobicContact CB-CE2 4.47Å; L56-A125 HydrophobicContact CD2-CB 4.47Å
57A84.1Confident91.7Very high61 Ų6141.3 Ų41.350%0.50425%0.246SC..SBendtrans-65.7-35.5-168.700000112.7S33S33-A57 VanDerWaalsContact CB-CB 3.43Å
58D82Confident91.7Very high84 Ų8441.2 Ų41.245%0.44923%0.234SC..SBendtrans-119.9114.2175.1-62.4-54.5000108.9S33 L56 P60S33-D58 WeakPolarHBondContact CB-OD2 3.41Å; S33-D58 PolarHBondContact OG-OD2 2.92Å; L56-D58 VanDerWaalsContact C-N 3.3Å; L56-D58 WeakPolarHBondContact CG-O 3.4Å; L56-D58 PolarHBondContact O-N 3.41Å; D58-P60 WeakPolarHBondContact O-CD 3.28Å
59I80.9Confident91.6Very high59 Ų5939.6 Ų39.630%0.30322%0.224SC..  trans-82116.5179.4-59.8-69.2000109L56 F63 G103 R104 F106L56-I59 HydrophobicContact CB-CD1 3.88Å; L56-I59 HydrophobicContact CD2-CD1 3.99Å; L56-I59 HydrophobicContact CG-CD1 4.06Å; I59-F63 HydrophobicContact CG2-CE1 3.86Å; I59-F63 HydrophobicContact CG2-CZ 4.4Å; I59-G103 WeakPolarHBondContact CD1-O 3.29Å; I59-R104 HydrophobicContact CD1-CB 4.31Å; I59-R104 HydrophobicContact CG1-CB 4.23Å; I59-F106 HydrophobicContact CD1-CE2 4.04Å; I59-F106 HydrophobicContact CD1-CZ 4.23Å
60P80.4Confident91.4Very high34 Ų3435.6 Ų35.622%0.22120%0.202CC..  trans-76.5162.4176.635.8-39.3000111D58 S62 F63 Y127D58-P60 WeakPolarHBondContact O-CD 3.28Å; P60-S62 PolarHBondContact O-N 2.91Å; P60-F63 HydrophobicContact CG-CB 3.59Å; P60-F63 HydrophobicContact CG-CD1 3.55Å; P60-F63 HydrophobicContact CG-CE1 4.43Å; P60-F63 HydrophobicContact CG-CG 3.69Å; P60-Y127 HydrophobicContact CB-CD1 3.75Å; P60-Y127 HydrophobicContact CB-CE1 4.01Å; P60-Y127 HydrophobicContact CG-CD1 3.57Å; P60-Y127 HydrophobicContact CG-CE1 3.63Å
61D81.2Confident90.9Very high181 Ų18136.5 Ų36.597%0.96821%0.209SC*.SBendtrans-62.6-31.5179-62.9-31.3000113
62S86.2Confident90.1Very high60 Ų6040.9 Ų40.942%0.4224%0.238SC..SBendtrans-148.2113.3-175.2-168.50000111.2P60 L128P60-S62 PolarHBondContact O-N 2.91Å; S62-L128 PolarHBondContact O-N 3.33Å; S62-L128 WeakPolarHBondContact OG-CB 3.3Å; S62-L128 VanDerWaalsContact OG-CD1 3.23Å; S62-L128 WeakPolarHBondContact OG-CD1 3.16Å
63F89.5Confident89.5Confident19 Ų1951.1 Ų51.18%0.08328%0.276CS..EExtended strand (participates in β ladder)trans-151.4162.6179.670.5-70.1000112L56 I59 P60 L65 F106 I126L56-F63 HydrophobicContact CD2-CD2 4.17Å; L56-F63 HydrophobicContact CD2-CE2 4.09Å; I59-F63 HydrophobicContact CG2-CE1 3.86Å; I59-F63 HydrophobicContact CG2-CZ 4.4Å; P60-F63 HydrophobicContact CG-CB 3.59Å; P60-F63 HydrophobicContact CG-CD1 3.55Å; P60-F63 HydrophobicContact CG-CE1 4.43Å; P60-F63 HydrophobicContact CG-CG 3.69Å; F63-L65 HydrophobicContact CD2-CB 4.29Å; F63-L65 HydrophobicContact CE2-CB 4.03Å; F63-F106 HydrophobicContact CE2-CZ 4.03Å; F63-F106 HydrophobicContact CZ-CE1 4.33Å; F63-F106 HydrophobicContact CZ-CE2 4.49Å; F63-F106 AromaticContact CZ-CZ 3.71Å; F63-F106 HydrophobicContact CZ-CZ 3.71Å; F63-I126 CarbonylContact C-O 3.57Å; F63-I126 VanDerWaalsContact CA-O 3.22Å; F63-I126 WeakPolarHBondContact CA-O 3.42Å; F63-I126 WeakPolarHBondContact CB-O 3.31Å
64V91.9Very high88.8Confident22 Ų2255.3 Ų55.313%0.13330%0.298CS..EExtended strand (participates in β ladder)trans-120.9125.5168.2-178.60000108A81 Q83 I126 L128V64-A81 HydrophobicContact CG1-CB 4.36Å; V64-Q83 HydrophobicContact CG2-CG 4.26Å; V64-I126 PolarHBondContact N-O 2.99Å; V64-I126 PolarHBondContact O-N 3.45Å; V64-L128 HydrophobicContact CG2-CD1 4.2Å; V64-L128 HydrophobicContact CG2-CD2 4.39Å
65L93.5Very high88.3Confident0 Ų061.3 Ų61.30%033%0.326CS..EExtended strand (participates in β ladder)trans-99.4119174.9-170.271.6000109.4L35 F63 A81 F82 V97 F106 M108 A125L35-L65 HydrophobicContact CD2-CD1 4.19Å; F63-L65 HydrophobicContact CD2-CB 4.29Å; F63-L65 HydrophobicContact CE2-CB 4.03Å; L65-A81 CarbonylContact O-C 3.52Å; L65-A81 VanDerWaalsContact O-CA 3.25Å; L65-A81 WeakPolarHBondContact O-CA 3.3Å; L65-F82 HydrophobicContact CB-CB 4.34Å; L65-F82 PolarHBondContact N-O 2.67Å; L65-F82 PolarHBondContact O-N 3.24Å; L65-V97 HydrophobicContact CD2-CG1 4.36Å; L65-F106 HydrophobicContact CD2-CB 3.59Å; L65-F106 HydrophobicContact CD2-CD1 3.73Å; L65-F106 HydrophobicContact CD2-CD2 3.57Å; L65-F106 HydrophobicContact CD2-CE1 4.32Å; L65-F106 HydrophobicContact CD2-CE2 4.2Å; L65-F106 HydrophobicContact CD2-CG 3.33Å; L65-M108 HydrophobicContact CD2-CE 3.7Å; L65-M108 HydrophobicContact CG-CE 3.9Å; L65-A125 HydrophobicContact CD1-CB 4.09Å
66N94.4Very high88.1Confident5 Ų563.4 Ų63.43%0.02734%0.338CS..EExtended strand (participates in β ladder)trans-106.5144.8178.6-65.3-48.6000110.5Y68 K78 A81 C123 G124 I126N66-Y68 HydrophobicContact CB-CD2 4.19Å; N66-Y68 HydrophobicContact CB-CE1 4.03Å; N66-Y68 HydrophobicContact CB-CE2 3.37Å; N66-Y68 VanDerWaalsContact CB-OH 3.24Å; N66-Y68 WeakPolarHBondContact CB-OH 3.23Å; N66-Y68 PolarHBondContact ND2-OH 3.45Å; N66-K78 WeakPolarHBondContact OD1-CE 3.23Å; N66-K78 PolarHBondContact OD1-NZ 2.82Å; N66-K78 VanDerWaalsContact OD1-NZ 3.15Å; N66-A81 WeakPolarHBondContact OD1-CB 3.48Å; N66-C123 WeakPolarHBondContact O-CA 3.26Å; N66-G124 PolarHBondContact N-O 3.44Å; N66-G124 PolarHBondContact O-N 3.11Å; N66-I126 VanDerWaalsContact ND2-CD1 3.31Å; N66-I126 WeakPolarHBondContact ND2-CD1 3.45Å
67W95.7Very high88.1Confident0 Ų067.4 Ų67.40%036%0.359CS..EExtended strand (participates in β ladder)trans-110.3132.1170.8-17629000110F37 F52 L79 A80 F95 V97 M108 I110 Y121F37-W67 AromaticContact CZ-NE1 3.87Å; F52-W67 HydrophobicContact CD2-CZ2 4.34Å; W67-L79 HydrophobicContact CD2-CB 4.39Å; W67-L79 HydrophobicContact CD2-CD1 3.74Å; W67-L79 HydrophobicContact CE3-CB 4.3Å; W67-L79 HydrophobicContact CE3-CD1 4.18Å; W67-L79 HydrophobicContact CG-CD1 4.08Å; W67-L79 HydrophobicContact CZ2-CD1 4.29Å; W67-L79 PolarHBondContact O-N 3.11Å; W67-A80 HydrophobicContact CE3-CB 4.38Å; W67-A80 PolarHBondContact N-O 2.88Å; W67-F95 HydrophobicContact CE3-CB 4.11Å; W67-F95 HydrophobicContact CE3-CD1 4.14Å; W67-F95 AromaticContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CE1 4.45Å; W67-F95 HydrophobicContact CZ2-CD1 4.4Å; W67-F95 HydrophobicContact CZ3-CB 3.75Å; W67-F95 AromaticContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CG 4.13Å; W67-V97 HydrophobicContact CB-CG2 4.03Å; W67-V97 HydrophobicContact CE3-CG2 4.37Å; W67-M108 HydrophobicContact CB-CE 4.07Å; W67-M108 HydrophobicContact CB-CG 4.49Å; W67-M108 HydrophobicContact CB-SD 3.67Å; W67-M108 HydrophobicContact CD2-CB 3.82Å; W67-M108 HydrophobicContact CD2-CG 4.31Å; W67-M108 HydrophobicContact CD2-SD 4.11Å; W67-M108 HydrophobicContact CE3-CB 4.05Å; W67-M108 HydrophobicContact CG-CB 4.21Å; W67-M108 HydrophobicContact CG-CE 4.5Å; W67-M108 HydrophobicContact CG-CG 4.22Å; W67-M108 HydrophobicContact CG-SD 3.47Å; W67-M108 HydrophobicContact CH2-CB 4.22Å; W67-M108 HydrophobicContact CZ2-CB 4.08Å; W67-M108 HydrophobicContact CZ3-CB 4.22Å; W67-I110 HydrophobicContact CH2-CD1 4.27Å; W67-I110 HydrophobicContact CH2-CG1 3.45Å; W67-I110 VanDerWaalsContact CH2-CG1 3.45Å; W67-I110 HydrophobicContact CZ2-CG1 4.11Å; W67-I110 HydrophobicContact CZ3-CG1 4.38Å; W67-Y121 AromaticContact CE2-CD1 3.84Å; W67-Y121 AromaticContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CE1 4.19Å; W67-Y121 AromaticContact NE1-CD1 3.55Å
68Y95.3Very high88.6Confident37 Ų3769.4 Ų69.415%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-127.8152.7-172.6-59.4-75.7000112.9N66 T76 D77 K78 Y121 L122N66-Y68 HydrophobicContact CB-CD2 4.19Å; N66-Y68 HydrophobicContact CB-CE1 4.03Å; N66-Y68 HydrophobicContact CB-CE2 3.37Å; N66-Y68 VanDerWaalsContact CB-OH 3.24Å; N66-Y68 WeakPolarHBondContact CB-OH 3.23Å; N66-Y68 PolarHBondContact ND2-OH 3.45Å; Y68-T76 HydrophobicContact CD1-CG2 3.38Å; Y68-T76 HydrophobicContact CD2-CG2 4.21Å; Y68-T76 HydrophobicContact CE1-CG2 4.15Å; Y68-T76 HydrophobicContact CG-CG2 3.39Å; Y68-D77 CarbonylContact C-O 3.59Å; Y68-D77 VanDerWaalsContact CA-O 3.28Å; Y68-D77 WeakPolarHBondContact CA-O 3.44Å; Y68-K78 HydrophobicContact CD1-CB 3.94Å; Y68-K78 HydrophobicContact CD1-CG 4.37Å; Y68-K78 HydrophobicContact CE1-CB 3.82Å; Y68-K78 HydrophobicContact CE1-CG 4.05Å; Y68-Y121 WeakPolarHBondContact O-CA 3.41Å; Y68-L122 HydrophobicContact CD2-CD1 3.94Å; Y68-L122 PolarHBondContact N-O 3.16Å; Y68-L122 PolarHBondContact O-N 3.29Å; Y68-L122 VanDerWaalsContact O-N 3.14Å
69R95.5Very high89.1Confident62 Ų6266.5 Ų66.523%0.23434%0.341CS..EExtended strand (participates in β ladder)trans-115.5138.3165-177.5176.1-179.8179.10.9109.6D77 L79 N116 S118 I120 Y121R69-D77 PolarHBondContact N-O 2.83Å; R69-D77 PolarHBondContact O-N 3.13Å; R69-L79 HydrophobicContact CB-CD1 3.99Å; R69-L79 HydrophobicContact CB-CD2 3.93Å; R69-L79 HydrophobicContact CB-CG 4.16Å; R69-N116 VanDerWaalsContact CZ-O 3.28Å; R69-N116 PolarHBondContact NH1-O 2.79Å; R69-N116 PolarHBondContact NH2-O 2.84Å; R69-S118 PolarHBondContact NH2-O 3.26Å; R69-I120 WeakPolarHBondContact CA-O 3.19Å; R69-Y121 HydrophobicContact CB-CD1 4.15Å; R69-Y121 HydrophobicContact CB-CE1 3.94Å; R69-Y121 HydrophobicContact CG-CD1 4.49Å; R69-Y121 HydrophobicContact CG-CE1 4.07Å
70L94.3Very high89.7Confident17 Ų1764 Ų649%0.08933%0.329CS..EExtended strand (participates in β ladder)trans-81.4125.1168.5-89.866000109.4I120 L122L70-I120 HydrophobicContact CB-CB 4.22Å; L70-I120 HydrophobicContact CD2-CG2 4.27Å; L70-I120 PolarHBondContact N-O 3.07Å; L70-L122 HydrophobicContact CD1-CD2 3.31Å; L70-L122 HydrophobicContact CD1-CG 4.34Å
71S86.9Confident90.3Very high19 Ų1963 Ų6313%0.13332%0.324CS..  trans-70.8161.416678.90000110.5R73 N74 Q75S71-R73 PolarHBondContact O-N 3.23Å; S71-R73 PolarHBondContact OG-N 2.78Å; S71-N74 PolarHBondContact O-N 3.01Å; S71-Q75 WeakPolarHBondContact CB-O 3.44Å; S71-Q75 PolarHBondContact N-O 2.93Å; S71-Q75 WeakPolarHBondContact OG-CB 3.21Å; S71-Q75 PolarHBondContact OG-N 3.37Å; S71-Q75 VanDerWaalsContact OG-N 3.08Å; S71-Q75 PolarHBondContact OG-O 3.15Å
72P81.8Confident90.8Very high142 Ų14256 Ų5692%0.92229%0.285SS*.THydrogen-bonded Turntrans-57.2-17175.3-25.634.8000114.4
73R86.2Confident90.8Very high215 Ų21555.6 Ų55.681%0.81128%0.276SS*.THydrogen-bonded Turntrans-94.713.3176.7-59.7-175.2-174.7-140.21.2113S71 Q75S71-R73 PolarHBondContact O-N 3.23Å; S71-R73 PolarHBondContact OG-N 2.78Å; R73-Q75 HydrophobicContact CB-CG 4.43Å; R73-Q75 PolarHBondContact O-N 2.93Å
74N81.6Confident90.1Very high119 Ų11960.2 Ų60.264%0.63630%0.298SS*.SBendtrans55.829.5-171.6-66.6-35.1000113.6S71S71-N74 PolarHBondContact O-N 3.01Å
75Q87.6Confident89Confident127 Ų12766.2 Ų66.259%0.59333%0.329SS*.  trans-91140.7167.7-62.7-179.7-25.900109.2S71 R73S71-Q75 WeakPolarHBondContact CB-O 3.44Å; S71-Q75 PolarHBondContact N-O 2.93Å; S71-Q75 WeakPolarHBondContact OG-CB 3.21Å; S71-Q75 PolarHBondContact OG-N 3.37Å; S71-Q75 VanDerWaalsContact OG-N 3.08Å; S71-Q75 PolarHBondContact OG-O 3.15Å; R73-Q75 HydrophobicContact CB-CG 4.43Å; R73-Q75 PolarHBondContact O-N 2.93Å
76T89.9Confident87.6Confident68 Ų6874.1 Ų74.142%0.41736%0.359SS..EExtended strand (participates in β ladder)trans-94.7112.8-173.8-49.80000110.4Y68Y68-T76 HydrophobicContact CD1-CG2 3.38Å; Y68-T76 HydrophobicContact CD2-CG2 4.21Å; Y68-T76 HydrophobicContact CE1-CG2 4.15Å; Y68-T76 HydrophobicContact CG-CG2 3.39Å
77D92.2Very high85.7Confident84 Ų8481.4 Ų81.445%0.44940%0.397SS..EExtended strand (participates in β ladder)trans-93.6118.8177.3-68.1-30.4000109.8Y68 R69 L79Y68-D77 CarbonylContact C-O 3.59Å; Y68-D77 VanDerWaalsContact CA-O 3.28Å; Y68-D77 WeakPolarHBondContact CA-O 3.44Å; R69-D77 PolarHBondContact N-O 2.83Å; R69-D77 PolarHBondContact O-N 3.13Å; D77-L79 PolarHBondContact O-N 3.01Å
78K93.1Very high83.9Confident103 Ų10386.2 Ų86.245%0.44842%0.419SS..EExtended strand (participates in β ladder)trans-72.3119.8175.2-174.4-179170.8179.50109.9N66 Y68 E88N66-K78 WeakPolarHBondContact OD1-CE 3.23Å; N66-K78 PolarHBondContact OD1-NZ 2.82Å; N66-K78 VanDerWaalsContact OD1-NZ 3.15Å; Y68-K78 HydrophobicContact CD1-CB 3.94Å; Y68-K78 HydrophobicContact CD1-CG 4.37Å; Y68-K78 HydrophobicContact CE1-CB 3.82Å; Y68-K78 HydrophobicContact CE1-CG 4.05Å; K78-E88 IonicContact NZ-OE2 3.6Å
79L93.4Very high82.2Confident24 Ų2489.5 Ų89.513%0.12645%0.445CS..EExtended strand (participates in β ladder)trans-91.5-49.1-178.6-55.7171.4000111.4W67 R69 D77 G90 F95 Y121W67-L79 HydrophobicContact CD2-CB 4.39Å; W67-L79 HydrophobicContact CD2-CD1 3.74Å; W67-L79 HydrophobicContact CE3-CB 4.3Å; W67-L79 HydrophobicContact CE3-CD1 4.18Å; W67-L79 HydrophobicContact CG-CD1 4.08Å; W67-L79 HydrophobicContact CZ2-CD1 4.29Å; W67-L79 PolarHBondContact O-N 3.11Å; R69-L79 HydrophobicContact CB-CD1 3.99Å; R69-L79 HydrophobicContact CB-CD2 3.93Å; R69-L79 HydrophobicContact CB-CG 4.16Å; D77-L79 PolarHBondContact O-N 3.01Å; L79-G90 WeakPolarHBondContact O-CA 3.34Å; L79-F95 HydrophobicContact CB-CB 4.32Å; L79-F95 HydrophobicContact CB-CD1 4.12Å; L79-F95 HydrophobicContact CB-CG 4.22Å; L79-F95 HydrophobicContact CD1-CD1 3.84Å; L79-F95 HydrophobicContact CD1-CE1 3.98Å; L79-F95 HydrophobicContact CD2-CD1 4.36Å; L79-F95 HydrophobicContact CD2-CE1 4.2Å; L79-F95 HydrophobicContact CD2-CZ 4.41Å; L79-F95 HydrophobicContact CG-CD1 4.34Å; L79-Y121 HydrophobicContact CD1-CD1 3.65Å; L79-Y121 HydrophobicContact CD1-CE1 3.48Å; L79-Y121 VanDerWaalsContact CD1-CE1 3.48Å
80A93.5Very high80.7Confident6 Ų687.4 Ų87.45%0.0544%0.443CS..EExtended strand (participates in β ladder)trans-155.4165-175.100000110.6W67 F95 V97W67-A80 HydrophobicContact CE3-CB 4.38Å; W67-A80 PolarHBondContact N-O 2.88Å; A80-F95 HydrophobicContact CB-CB 4.43Å; A80-V97 HydrophobicContact CB-CG2 3.76Å
81A92.6Very high79.7Confident14 Ų1499 Ų9912%0.11649%0.486CS..EExtended strand (participates in β ladder)trans-138153173.100000111.1V64 L65 N66V64-A81 HydrophobicContact CG1-CB 4.36Å; L65-A81 CarbonylContact O-C 3.52Å; L65-A81 VanDerWaalsContact O-CA 3.25Å; L65-A81 WeakPolarHBondContact O-CA 3.3Å; N66-A81 WeakPolarHBondContact OD1-CB 3.48Å
82F90.9Very high79.8Confident33 Ų33100.4 Ų100.415%0.14549%0.491CS..EExtended strand (participates in β ladder)trans-116.8128.4166.5176.4-88.8000109.1L65 V97 R99 F106L65-F82 HydrophobicContact CB-CB 4.34Å; L65-F82 PolarHBondContact N-O 2.67Å; L65-F82 PolarHBondContact O-N 3.24Å; F82-V97 HydrophobicContact CB-CB 4.08Å; F82-V97 HydrophobicContact CB-CG1 3.62Å; F82-V97 HydrophobicContact CG-CG1 4.48Å; F82-R99 HydrophobicContact CE2-CB 3.89Å; F82-R99 HydrophobicContact CZ-CB 3.83Å; F82-R99 HydrophobicContact CZ-CG 4.43Å; F82-F106 HydrophobicContact CD1-CD1 4.12Å; F82-F106 AromaticContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CE1-CD1 4.45Å; F82-F106 AromaticContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CG-CD1 4.28Å; F82-F106 HydrophobicContact CG-CE1 4.24Å; F82-F106 HydrophobicContact CZ-CE1 4.28Å
83Q87.8Confident80.1Confident51 Ų51103.6 Ų103.624%0.23849%0.485CS..  trans-143.6130.8168.5-173174.216.300106.8V64 D85 R86V64-Q83 HydrophobicContact CG2-CG 4.26Å; Q83-D85 PolarHBondContact O-N 2.78Å; Q83-D85 VanDerWaalsContact O-N 3.11Å; Q83-R86 HydrophobicContact CB-CB 4.36Å; Q83-R86 CarbonylContact O-C 3.59Å; Q83-R86 PolarHBondContact O-N 2.63Å; Q83-R86 VanDerWaalsContact O-N 3.11Å
84E73.2Confident80.5Confident116 Ų11694.8 Ų94.854%0.54245%0.452SS..THydrogen-bonded Turntrans-53.3-38.2-171-154.383.7-153.700112.3R99E84-R99 IonicContact OE1-NH1 3.81Å; E84-R99 PolarHBondContact OE1-NH1 3.28Å; E84-R99 IonicContact OE2-CZ 3.78Å; E84-R99 IonicContact OE2-NH1 2.89Å; E84-R99 PolarHBondContact OE2-NH1 3.45Å
85D69.1Low81.1Confident149 Ų14989.9 Ų89.980%0.79743%0.425SS*.THydrogen-bonded Turntrans-99.1-4.5-175.3-55.6-37.3000114.4Q83Q83-D85 PolarHBondContact O-N 2.78Å; Q83-D85 VanDerWaalsContact O-N 3.11Å
86R64.4Low81.4Confident165 Ų16590.4 Ų90.462%0.62342%0.421SS*.  trans-144.3102.1-174.8-68.4-173.1179.7-170.80.7110.6Q83 E88Q83-R86 HydrophobicContact CB-CB 4.36Å; Q83-R86 CarbonylContact O-C 3.59Å; Q83-R86 PolarHBondContact O-N 2.63Å; Q83-R86 VanDerWaalsContact O-N 3.11Å; R86-E88 PolarHBondContact O-N 2.97Å; R86-E88 VanDerWaalsContact O-N 3.12Å
87I54.8Low81.6Confident159 Ų15988.1 Ų88.182%0.81541%0.407SS*.  trans-77.697164.4-55.7-178.4000106.9P89I87-P89 WeakPolarHBondContact O-CD 3.42Å
88E57.8Low81.6Confident101 Ų10187.3 Ų87.347%0.47241%0.406SS..  trans-78.6110165-72-164158.600108.4K78 R86 G90K78-E88 IonicContact NZ-OE2 3.6Å; R86-E88 PolarHBondContact O-N 2.97Å; R86-E88 VanDerWaalsContact O-N 3.12Å; E88-G90 PolarHBondContact O-N 3.36Å; E88-G90 VanDerWaalsContact O-N 3.13Å
89P59.7Low81.6Confident105 Ų10586.6 Ų86.668%0.68240%0.4SS*.  trans-64120.1172.626.2-31.4000108.3I87I87-P89 WeakPolarHBondContact O-CD 3.42Å
90G63.7Low81.6Confident19 Ų1987.4 Ų87.420%0.19640%0.404CS..  trans-54.7156.5171.500000111.2L79 E88 D92L79-G90 WeakPolarHBondContact O-CA 3.34Å; E88-G90 PolarHBondContact O-N 3.36Å; E88-G90 VanDerWaalsContact O-N 3.13Å; G90-D92 PolarHBondContact O-N 3.23Å; G90-D92 VanDerWaalsContact O-N 3.11Å
91R73.9Confident81.6Confident261 Ų26193.6 Ų93.699%0.98544%0.444SS*.SBendtrans-55.2-32.7-179.1-173.1177.9-178.9-176.60.6112.3
92D87.8Confident81.5Confident48 Ų4896.8 Ų96.826%0.25746%0.459SS..SBendtrans-114.8118.7170.9179.8-6.3000109.5G90 R94 F95G90-D92 PolarHBondContact O-N 3.23Å; G90-D92 VanDerWaalsContact O-N 3.11Å; D92-R94 PolarHBondContact O-N 2.84Å; D92-R94 VanDerWaalsContact O-N 3.15Å; D92-R94 WeakPolarHBondContact OD1-CB 3.39Å; D92-R94 VanDerWaalsContact OD1-CG 3.26Å; D92-R94 WeakPolarHBondContact OD1-CG 3.48Å; D92-R94 PolarHBondContact OD1-N 3.16Å; D92-R94 IonicContact OD1-NE 3.48Å; D92-R94 PolarHBondContact OD1-NE 3.31Å; D92-R94 IonicContact OD2-CZ 3.38Å; D92-R94 IonicContact OD2-NE 2.91Å; D92-R94 PolarHBondContact OD2-NE 2.95Å; D92-R94 IonicContact OD2-NH2 2.98Å; D92-R94 PolarHBondContact OD2-NH2 3.05Å; D92-F95 HydrophobicContact CB-CD2 3.71Å; D92-F95 HydrophobicContact CB-CE2 3.91Å; D92-F95 PolarHBondContact O-N 3.01Å; D92-F95 WeakPolarHBondContact OD2-CE2 3.3Å
93R88.8Confident81.4Confident209 Ų20996 Ų9679%0.78946%0.46SS*.THydrogen-bonded Turntrans-67.9-10.1-176.7-64.8-176.1176-176.1-1.3114.1F95R93-F95 VanDerWaalsContact C-N 3.29Å
94R94.8Very high81.6Confident29 Ų29100.4 Ų100.411%0.10948%0.475CS..THydrogen-bonded Turntrans-68.8-30.8173.8-64.1-176.2-49.5121.85.8111.8D92 I110 V111 A112 D117D92-R94 PolarHBondContact O-N 2.84Å; D92-R94 VanDerWaalsContact O-N 3.15Å; D92-R94 WeakPolarHBondContact OD1-CB 3.39Å; D92-R94 VanDerWaalsContact OD1-CG 3.26Å; D92-R94 WeakPolarHBondContact OD1-CG 3.48Å; D92-R94 PolarHBondContact OD1-N 3.16Å; D92-R94 IonicContact OD1-NE 3.48Å; D92-R94 PolarHBondContact OD1-NE 3.31Å; D92-R94 IonicContact OD2-CZ 3.38Å; D92-R94 IonicContact OD2-NE 2.91Å; D92-R94 PolarHBondContact OD2-NE 2.95Å; D92-R94 IonicContact OD2-NH2 2.98Å; D92-R94 PolarHBondContact OD2-NH2 3.05Å; R94-I110 HydrophobicContact CB-CG2 4.47Å; R94-I110 WeakPolarHBondContact O-CA 3.5Å; R94-V111 WeakPolarHBondContact CB-O 3.49Å; R94-V111 WeakPolarHBondContact CD-O 3.33Å; R94-V111 WeakPolarHBondContact CG-O 3.35Å; R94-V111 PolarHBondContact O-N 3.06Å; R94-A112 PolarHBondContact NH1-O 2.99Å; R94-D117 IonicContact CZ-OD1 3.8Å; R94-D117 IonicContact CZ-OD2 3.42Å; R94-D117 IonicContact NH1-OD1 2.68Å; R94-D117 IonicContact NH1-OD2 3.17Å; R94-D117 PolarHBondContact NH1-OD2 3.03Å; R94-D117 IonicContact NH2-OD1 2.88Å; R94-D117 PolarHBondContact NH2-OD1 2.78Å; R94-D117 IonicContact NH2-OD2 3.27Å; R94-D117 PolarHBondContact NH2-OD2 2.96Å
95F94.6Very high82.6Confident17 Ų1796.1 Ų96.18%0.07546%0.456CS..EExtended strand (participates in β ladder)trans-84.7123.3177.9-60.5-92.4000109.5W67 L79 A80 D92 R93 S109 I110 Y121W67-F95 HydrophobicContact CE3-CB 4.11Å; W67-F95 HydrophobicContact CE3-CD1 4.14Å; W67-F95 AromaticContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CD1 3.71Å; W67-F95 HydrophobicContact CH2-CE1 4.45Å; W67-F95 HydrophobicContact CZ2-CD1 4.4Å; W67-F95 HydrophobicContact CZ3-CB 3.75Å; W67-F95 AromaticContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CD1 3.54Å; W67-F95 HydrophobicContact CZ3-CG 4.13Å; L79-F95 HydrophobicContact CB-CB 4.32Å; L79-F95 HydrophobicContact CB-CD1 4.12Å; L79-F95 HydrophobicContact CB-CG 4.22Å; L79-F95 HydrophobicContact CD1-CD1 3.84Å; L79-F95 HydrophobicContact CD1-CE1 3.98Å; L79-F95 HydrophobicContact CD2-CD1 4.36Å; L79-F95 HydrophobicContact CD2-CE1 4.2Å; L79-F95 HydrophobicContact CD2-CZ 4.41Å; L79-F95 HydrophobicContact CG-CD1 4.34Å; A80-F95 HydrophobicContact CB-CB 4.43Å; D92-F95 HydrophobicContact CB-CD2 3.71Å; D92-F95 HydrophobicContact CB-CE2 3.91Å; D92-F95 PolarHBondContact O-N 3.01Å; D92-F95 WeakPolarHBondContact OD2-CE2 3.3Å; R93-F95 VanDerWaalsContact C-N 3.29Å; F95-S109 WeakPolarHBondContact CA-O 3.42Å; F95-I110 HydrophobicContact CD1-CD1 4.23Å; F95-I110 HydrophobicContact CD1-CG1 3.85Å; F95-I110 HydrophobicContact CE1-CD1 3.62Å; F95-I110 HydrophobicContact CE1-CG1 3.73Å; F95-I110 HydrophobicContact CE1-CG2 4.21Å; F95-I110 HydrophobicContact CZ-CD1 4.42Å; F95-I110 HydrophobicContact CZ-CG2 4.38Å; F95-Y121 HydrophobicContact CE1-CE1 4.33Å
96R92.6Very high83.8Confident137 Ų13789 Ų8952%0.51742%0.418SS..EExtended strand (participates in β ladder)trans-133142.2-177.1-57.7180177.2-167.3-0.8110.3M108 S109R96-M108 CarbonylContact O-C 3.55Å; R96-M108 WeakPolarHBondContact O-CA 3.29Å; R96-S109 PolarHBondContact N-O 2.8Å; R96-S109 PolarHBondContact O-N 3.29Å
97V94Very high85.4Confident20 Ų2084.2 Ų84.212%0.12140%0.402CS..EExtended strand (participates in β ladder)trans-118.3122.9169.3-173.10000107.3L65 W67 A80 F82 F106 H107 M108L65-V97 HydrophobicContact CD2-CG1 4.36Å; W67-V97 HydrophobicContact CB-CG2 4.03Å; W67-V97 HydrophobicContact CE3-CG2 4.37Å; A80-V97 HydrophobicContact CB-CG2 3.76Å; F82-V97 HydrophobicContact CB-CB 4.08Å; F82-V97 HydrophobicContact CB-CG1 3.62Å; F82-V97 HydrophobicContact CG-CG1 4.48Å; V97-F106 HydrophobicContact CG1-CB 4.31Å; V97-H107 CarbonylContact C-O 3.49Å; V97-H107 VanDerWaalsContact CA-O 3.32Å; V97-H107 WeakPolarHBondContact CA-O 3.19Å; V97-M108 HydrophobicContact CG1-CE 4.24Å; V97-M108 HydrophobicContact CG1-CG 4.33Å; V97-M108 HydrophobicContact CG2-CG 4.28Å
98T92.7Very high87.4Confident68 Ų6876.6 Ų76.642%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-130.4131.1-177.353.20000110F106 H107T98-F106 CarbonylContact O-C 3.53Å; T98-F106 VanDerWaalsContact O-CA 3.29Å; T98-F106 WeakPolarHBondContact O-CA 3.26Å; T98-H107 PolarHBondContact N-O 2.79Å; T98-H107 PolarHBondContact O-N 2.98Å; T98-H107 WeakPolarHBondContact OG1-CB 3.47Å; T98-H107 PolarHBondContact OG1-O 3.43Å
99R93.3Very high89.2Confident87 Ų8772.7 Ų72.733%0.32835%0.347SS..EExtended strand (participates in β ladder)trans-77130.1176.7-171.2173.9-170.9-160.2-1.6109.6F82 E84 G103 F106F82-R99 HydrophobicContact CE2-CB 3.89Å; F82-R99 HydrophobicContact CZ-CB 3.83Å; F82-R99 HydrophobicContact CZ-CG 4.43Å; E84-R99 IonicContact OE1-NH1 3.81Å; E84-R99 PolarHBondContact OE1-NH1 3.28Å; E84-R99 IonicContact OE2-CZ 3.78Å; E84-R99 IonicContact OE2-NH1 2.89Å; E84-R99 PolarHBondContact OE2-NH1 3.45Å; R99-G103 PolarHBondContact NE-O 3.15Å; R99-G103 PolarHBondContact NH2-O 3.01Å; R99-F106 HydrophobicContact CB-CD1 3.9Å; R99-F106 HydrophobicContact CB-CE1 3.77Å; R99-F106 HydrophobicContact CG-CD1 4.05Å; R99-F106 HydrophobicContact CG-CE1 3.55Å; R99-F106 HydrophobicContact CG-CZ 4.06Å
100L93.6Very high91Very high42 Ų4267.7 Ų67.722%0.2232%0.315CS..  trans-77.6158.3176.2-77.2163.6000111.2N102 G103 D105 H107L100-N102 PolarHBondContact O-N 2.82Å; L100-G103 PolarHBondContact O-N 2.79Å; L100-D105 HydrophobicContact CB-CB 4.19Å; L100-D105 WeakPolarHBondContact CB-O 3.34Å; L100-D105 HydrophobicContact CD1-CB 3.39Å; L100-D105 HydrophobicContact CG-CB 4.35Å; L100-D105 PolarHBondContact N-O 3.35Å; L100-H107 VanDerWaalsContact CD1-CD2 3.48Å; L100-H107 WeakPolarHBondContact CD1-CD2 3.45Å
101P92.9Very high92.6Very high136 Ų13669 Ų6988%0.88332%0.319SS*.THydrogen-bonded Turntrans-59.5-21-179.1-25.534.8000114.8G103P101-G103 PolarHBondContact O-N 3.17Å
102N91.2Very high93.7Very high80 Ų8058.6 Ų58.643%0.42829%0.288SS..THydrogen-bonded Turntrans-73.8-5.2176.267.912.6000113.6L100 R104 D105L100-N102 PolarHBondContact O-N 2.82Å; N102-R104 HydrophobicContact CB-CG 4.48Å; N102-R104 PolarHBondContact O-N 2.65Å; N102-R104 PolarHBondContact OD1-N 3.41Å; N102-R104 VanDerWaalsContact OD1-N 3.15Å; N102-D105 VanDerWaalsContact ND2-CG 3.29Å; N102-D105 PolarHBondContact ND2-OD2 2.87Å; N102-D105 WeakPolarHBondContact OD1-CB 3.39Å; N102-D105 PolarHBondContact OD1-N 3.16Å
103G88.3Confident94.2Very high17 Ų1756.3 Ų56.318%0.17528%0.276CS..SBendtrans75.4-15.5174.900000115.3I59 R99 L100 P101I59-G103 WeakPolarHBondContact CD1-O 3.29Å; R99-G103 PolarHBondContact NE-O 3.15Å; R99-G103 PolarHBondContact NH2-O 3.01Å; L100-G103 PolarHBondContact O-N 2.79Å; P101-G103 PolarHBondContact O-N 3.17Å
104R91.4Very high94.6Very high143 Ų14352.1 Ų52.154%0.5426%0.261SS..SBendtrans-109.7-21.5-173.765.6174.9-175.2-166-1.5115.1L56 I59 N102 F106L56-R104 PolarHBondContact N-O 2.97Å; L56-R104 WeakPolarHBondContact O-CB 3.32Å; I59-R104 HydrophobicContact CD1-CB 4.31Å; I59-R104 HydrophobicContact CG1-CB 4.23Å; N102-R104 HydrophobicContact CB-CG 4.48Å; N102-R104 PolarHBondContact O-N 2.65Å; N102-R104 PolarHBondContact OD1-N 3.41Å; N102-R104 VanDerWaalsContact OD1-N 3.15Å; R104-F106 WeakPolarHBondContact O-CE2 3.36Å
105D94.9Very high94.7Very high26 Ų2654 Ų5414%0.13927%0.273CS..EExtended strand (participates in β ladder)trans-105.6146.4-178.8-61.9-23.5000110.6T53 C54 S55 L100 N102T53-D105 HydrophobicContact CG2-CB 4Å; C54-D105 CarbonylContact O-C 3.54Å; C54-D105 WeakPolarHBondContact O-CA 3.36Å; S55-D105 WeakPolarHBondContact CB-OD1 3.45Å; S55-D105 PolarHBondContact OG-OD1 3.15Å; L100-D105 HydrophobicContact CB-CB 4.19Å; L100-D105 WeakPolarHBondContact CB-O 3.34Å; L100-D105 HydrophobicContact CD1-CB 3.39Å; L100-D105 HydrophobicContact CG-CB 4.35Å; L100-D105 PolarHBondContact N-O 3.35Å; N102-D105 VanDerWaalsContact ND2-CG 3.29Å; N102-D105 PolarHBondContact ND2-OD2 2.87Å; N102-D105 WeakPolarHBondContact OD1-CB 3.39Å; N102-D105 PolarHBondContact OD1-N 3.16Å
106F95.4Very high94.7Very high0 Ų058.3 Ų58.30%030%0.296CS..EExtended strand (participates in β ladder)trans-131.1122-177.3-58.9-96.1000109.2T53 C54 L56 I59 F63 L65 F82 V97 T98 R99 R104T53-F106 WeakPolarHBondContact CA-O 3.27Å; C54-F106 HydrophobicContact CB-CB 4.45Å; C54-F106 PolarHBondContact N-O 2.93Å; C54-F106 PolarHBondContact O-N 2.83Å; L56-F106 HydrophobicContact CB-CE2 4.47Å; I59-F106 HydrophobicContact CD1-CE2 4.04Å; I59-F106 HydrophobicContact CD1-CZ 4.23Å; F63-F106 HydrophobicContact CE2-CZ 4.03Å; F63-F106 HydrophobicContact CZ-CE1 4.33Å; F63-F106 HydrophobicContact CZ-CE2 4.49Å; F63-F106 AromaticContact CZ-CZ 3.71Å; F63-F106 HydrophobicContact CZ-CZ 3.71Å; L65-F106 HydrophobicContact CD2-CB 3.59Å; L65-F106 HydrophobicContact CD2-CD1 3.73Å; L65-F106 HydrophobicContact CD2-CD2 3.57Å; L65-F106 HydrophobicContact CD2-CE1 4.32Å; L65-F106 HydrophobicContact CD2-CE2 4.2Å; L65-F106 HydrophobicContact CD2-CG 3.33Å; F82-F106 HydrophobicContact CD1-CD1 4.12Å; F82-F106 AromaticContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CD1-CE1 3.64Å; F82-F106 HydrophobicContact CE1-CD1 4.45Å; F82-F106 AromaticContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CE1-CE1 3.67Å; F82-F106 HydrophobicContact CG-CD1 4.28Å; F82-F106 HydrophobicContact CG-CE1 4.24Å; F82-F106 HydrophobicContact CZ-CE1 4.28Å; V97-F106 HydrophobicContact CG1-CB 4.31Å; T98-F106 CarbonylContact O-C 3.53Å; T98-F106 VanDerWaalsContact O-CA 3.29Å; T98-F106 WeakPolarHBondContact O-CA 3.26Å; R99-F106 HydrophobicContact CB-CD1 3.9Å; R99-F106 HydrophobicContact CB-CE1 3.77Å; R99-F106 HydrophobicContact CG-CD1 4.05Å; R99-F106 HydrophobicContact CG-CE1 3.55Å; R99-F106 HydrophobicContact CG-CZ 4.06Å; R104-F106 WeakPolarHBondContact O-CE2 3.36Å
107H96.8Very high94.8Very high64 Ų6452 Ų5230%0.29627%0.273SS..EExtended strand (participates in β ladder)trans-81.2119.5172.6-86.7-171.2000110.2T51 F52 V97 T98 L100T51-H107 HydrophobicContact CG2-CB 4.12Å; F52-H107 WeakPolarHBondContact O-CA 3.44Å; V97-H107 CarbonylContact C-O 3.49Å; V97-H107 VanDerWaalsContact CA-O 3.32Å; V97-H107 WeakPolarHBondContact CA-O 3.19Å; T98-H107 PolarHBondContact N-O 2.79Å; T98-H107 PolarHBondContact O-N 2.98Å; T98-H107 WeakPolarHBondContact OG1-CB 3.47Å; T98-H107 PolarHBondContact OG1-O 3.43Å; L100-H107 VanDerWaalsContact CD1-CD2 3.48Å; L100-H107 WeakPolarHBondContact CD1-CD2 3.45Å
108M96.9Very high95Very high0 Ų053 Ų530%028%0.281CS..EExtended strand (participates in β ladder)trans-105.1100.7173.7-61.5-170.1170.200108.1F37 T51 F52 C54 L65 W67 R96 V97 C123F37-M108 HydrophobicContact CD2-SD 4.44Å; F37-M108 HydrophobicContact CE2-CB 4.42Å; F37-M108 HydrophobicContact CE2-CG 4.39Å; F37-M108 HydrophobicContact CE2-SD 3.58Å; F37-M108 VanDerWaalsContact CE2-SD 3.58Å; F37-M108 HydrophobicContact CZ-SD 4.28Å; T51-M108 WeakPolarHBondContact CA-O 3.4Å; F52-M108 HydrophobicContact CB-CB 4.41Å; F52-M108 PolarHBondContact N-O 2.86Å; F52-M108 PolarHBondContact O-N 2.86Å; C54-M108 HydrophobicContact CB-CE 3.66Å; C54-M108 HydrophobicContact CB-SD 4.06Å; L65-M108 HydrophobicContact CD2-CE 3.7Å; L65-M108 HydrophobicContact CG-CE 3.9Å; W67-M108 HydrophobicContact CB-CE 4.07Å; W67-M108 HydrophobicContact CB-CG 4.49Å; W67-M108 HydrophobicContact CB-SD 3.67Å; W67-M108 HydrophobicContact CD2-CB 3.82Å; W67-M108 HydrophobicContact CD2-CG 4.31Å; W67-M108 HydrophobicContact CD2-SD 4.11Å; W67-M108 HydrophobicContact CE3-CB 4.05Å; W67-M108 HydrophobicContact CG-CB 4.21Å; W67-M108 HydrophobicContact CG-CE 4.5Å; W67-M108 HydrophobicContact CG-CG 4.22Å; W67-M108 HydrophobicContact CG-SD 3.47Å; W67-M108 HydrophobicContact CH2-CB 4.22Å; W67-M108 HydrophobicContact CZ2-CB 4.08Å; W67-M108 HydrophobicContact CZ3-CB 4.22Å; R96-M108 CarbonylContact O-C 3.55Å; R96-M108 WeakPolarHBondContact O-CA 3.29Å; V97-M108 HydrophobicContact CG1-CE 4.24Å; V97-M108 HydrophobicContact CG1-CG 4.33Å; V97-M108 HydrophobicContact CG2-CG 4.28Å; M108-C123 HydrophobicContact CE-CB 3.26Å; M108-C123 HydrophobicContact SD-CB 3.65Å
109S96.8Very high95.1Very high19 Ų1950.8 Ų50.813%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-117.4138.6-169.866.80000112.9A50 F95 R96A50-S109 CarbonylContact O-C 3.59Å; A50-S109 WeakPolarHBondContact O-CA 3.49Å; F95-S109 WeakPolarHBondContact CA-O 3.42Å; R96-S109 PolarHBondContact N-O 2.8Å; R96-S109 PolarHBondContact O-N 3.29Å
110I97.4Very high95.3Very high0 Ų049.2 Ų49.20%027%0.269CS..EExtended strand (participates in β ladder)trans-101.3118.2166.3-45.5-178.2000107.7N49 A50 W67 R94 F95 D117 Y121 L142N49-I110 VanDerWaalsContact CA-O 3.27Å; N49-I110 WeakPolarHBondContact CA-O 3.49Å; A50-I110 HydrophobicContact CB-CB 4.24Å; A50-I110 HydrophobicContact CB-CD1 4.42Å; A50-I110 HydrophobicContact CB-CG1 4.34Å; A50-I110 PolarHBondContact N-O 2.89Å; A50-I110 PolarHBondContact O-N 2.87Å; W67-I110 HydrophobicContact CH2-CD1 4.27Å; W67-I110 HydrophobicContact CH2-CG1 3.45Å; W67-I110 VanDerWaalsContact CH2-CG1 3.45Å; W67-I110 HydrophobicContact CZ2-CG1 4.11Å; W67-I110 HydrophobicContact CZ3-CG1 4.38Å; R94-I110 HydrophobicContact CB-CG2 4.47Å; R94-I110 WeakPolarHBondContact O-CA 3.5Å; F95-I110 HydrophobicContact CD1-CD1 4.23Å; F95-I110 HydrophobicContact CD1-CG1 3.85Å; F95-I110 HydrophobicContact CE1-CD1 3.62Å; F95-I110 HydrophobicContact CE1-CG1 3.73Å; F95-I110 HydrophobicContact CE1-CG2 4.21Å; F95-I110 HydrophobicContact CZ-CD1 4.42Å; F95-I110 HydrophobicContact CZ-CG2 4.38Å; I110-D117 HydrophobicContact CD1-CB 4.18Å; I110-Y121 HydrophobicContact CD1-CE1 4.38Å; I110-L142 HydrophobicContact CD1-CD2 3.44Å; I110-L142 VanDerWaalsContact CD1-CD2 3.44Å
111V96.9Very high95.5Very high46 Ų4647.2 Ų47.228%0.27926%0.258SS..SBendtrans-82.7130.4173.2-178.60000109.7N49 R94N49-V111 WeakPolarHBondContact OD1-CA 3.29Å; R94-V111 WeakPolarHBondContact CB-O 3.49Å; R94-V111 WeakPolarHBondContact CD-O 3.33Å; R94-V111 WeakPolarHBondContact CG-O 3.35Å; R94-V111 PolarHBondContact O-N 3.06Å
112A96.6Very high95.7Very high42 Ų4240.9 Ų40.935%0.34722%0.217SC..SBendtrans49.971.7-177.600000111.7N49 R94N49-A112 PolarHBondContact OD1-N 2.82Å; N49-A112 VanDerWaalsContact OD1-N 3.16Å; R94-A112 PolarHBondContact NH1-O 2.99Å
113A97.3Very high95.9Very high1 Ų137.1 Ų37.11%0.00820%0.197CC..  trans-57.9139-18000000111V44 G47 E48 V144V44-A113 HydrophobicContact CG2-CB 4Å; G47-A113 PolarHBondContact N-O 3.49Å; E48-A113 WeakPolarHBondContact O-CB 3.37Å; E48-A113 PolarHBondContact O-N 2.68Å; A113-V144 HydrophobicContact CB-CG1 4.15Å; A113-V144 HydrophobicContact CB-CG2 4.02Å
114R97.1Very high96.2Very high121 Ų12136.3 Ų36.346%0.45719%0.189SC..  trans-109155.6178.4-64.2170.2-176.4171.1-0.4109.2N116 D117 V144R114-N116 WeakPolarHBondContact CB-OD1 3.47Å; R114-N116 PolarHBondContact O-N 2.98Å; R114-N116 VanDerWaalsContact O-N 3.13Å; R114-D117 PolarHBondContact N-OD2 3.03Å; R114-D117 VanDerWaalsContact O-CB 3.29Å; R114-D117 WeakPolarHBondContact O-CB 3.46Å; R114-D117 PolarHBondContact O-N 2.87Å; R114-V144 WeakPolarHBondContact O-CG2 3.28Å
115L97Very high96.2Very high69 Ų6929.5 Ų29.536%0.36116%0.163SC..G310 helixtrans-52.6-38.8176.4-66.7173.1000112.8D117 S118 V144 E146L115-D117 PolarHBondContact O-N 2.59Å; L115-S118 WeakPolarHBondContact O-CB 3.17Å; L115-S118 PolarHBondContact O-N 2.9Å; L115-S118 PolarHBondContact O-OG 2.89Å; L115-V144 HydrophobicContact CD2-CG1 4.46Å; L115-V144 WeakPolarHBondContact CD2-O 3.49Å; L115-E146 HydrophobicContact CD1-CG 4.14Å; L115-E146 HydrophobicContact CD2-CG 4.08Å
116N94.8Very high96.1Very high107 Ų10730.3 Ų30.357%0.57217%0.167SC*.G310 helixtrans-75.5-2.5179.273.7-11.7000114.7R69 R114 S118R69-N116 VanDerWaalsContact CZ-O 3.28Å; R69-N116 PolarHBondContact NH1-O 2.79Å; R69-N116 PolarHBondContact NH2-O 2.84Å; R114-N116 WeakPolarHBondContact CB-OD1 3.47Å; R114-N116 PolarHBondContact O-N 2.98Å; R114-N116 VanDerWaalsContact O-N 3.13Å; N116-S118 VanDerWaalsContact C-N 3.28Å
117D95.9Very high95.8Very high4 Ų431 Ų312%0.02117%0.17CC..G310 helixtrans-81.1-10.3169.7-61.8-37.9000111.5R94 I110 R114 L115 G119 Y121 L142 V144R94-D117 IonicContact CZ-OD1 3.8Å; R94-D117 IonicContact CZ-OD2 3.42Å; R94-D117 IonicContact NH1-OD1 2.68Å; R94-D117 IonicContact NH1-OD2 3.17Å; R94-D117 PolarHBondContact NH1-OD2 3.03Å; R94-D117 IonicContact NH2-OD1 2.88Å; R94-D117 PolarHBondContact NH2-OD1 2.78Å; R94-D117 IonicContact NH2-OD2 3.27Å; R94-D117 PolarHBondContact NH2-OD2 2.96Å; I110-D117 HydrophobicContact CD1-CB 4.18Å; R114-D117 PolarHBondContact N-OD2 3.03Å; R114-D117 VanDerWaalsContact O-CB 3.29Å; R114-D117 WeakPolarHBondContact O-CB 3.46Å; R114-D117 PolarHBondContact O-N 2.87Å; L115-D117 PolarHBondContact O-N 2.59Å; D117-G119 PolarHBondContact O-N 2.94Å; D117-Y121 WeakPolarHBondContact O-CE2 3.02Å; D117-Y121 PolarHBondContact O-OH 3.09Å; D117-L142 HydrophobicContact CB-CD2 4.45Å; D117-V144 HydrophobicContact CB-CG2 4.37Å
118S97Very high95.3Very high41 Ų4130.5 Ų30.529%0.28717%0.169SC..  trans-58.2137.8176.2-54.90000111.9R69 L115 N116 L142 V144R69-S118 PolarHBondContact NH2-O 3.26Å; L115-S118 WeakPolarHBondContact O-CB 3.17Å; L115-S118 PolarHBondContact O-N 2.9Å; L115-S118 PolarHBondContact O-OG 2.89Å; N116-S118 VanDerWaalsContact C-N 3.28Å; S118-L142 CarbonylContact C-O 3.56Å; S118-L142 WeakPolarHBondContact CA-O 3.45Å; S118-V144 PolarHBondContact OG-N 2.53Å
119G96.3Very high94.7Very high22 Ų2235.2 Ų35.223%0.22720%0.2CC..EExtended strand (participates in β ladder)trans153.9-164.1-179.800000114.2D117 Y121 L142D117-G119 PolarHBondContact O-N 2.94Å; G119-Y121 WeakPolarHBondContact O-CD2 3.32Å; G119-L142 PolarHBondContact N-O 2.78Å; G119-L142 PolarHBondContact O-N 3.27Å
120I97.2Very high93.9Very high53 Ų5340.2 Ų40.227%0.27223%0.232SC..EExtended strand (participates in β ladder)trans-103131.6-175.3-55.6-59.1000110.8R69 L70 R139 A140 E141R69-I120 WeakPolarHBondContact CA-O 3.19Å; L70-I120 HydrophobicContact CB-CB 4.22Å; L70-I120 HydrophobicContact CD2-CG2 4.27Å; L70-I120 PolarHBondContact N-O 3.07Å; I120-R139 HydrophobicContact CG2-CB 3.7Å; I120-R139 HydrophobicContact CG2-CG 4.02Å; I120-A140 CarbonylContact C-O 3.46Å; I120-A140 WeakPolarHBondContact CA-O 3.07Å; I120-E141 HydrophobicContact CD1-CB 3.73Å; I120-E141 HydrophobicContact CD1-CG 3.88Å
121Y97.5Very high92.8Very high0 Ų045.3 Ų45.30%026%0.259CS..EExtended strand (participates in β ladder)trans-125.8151.9-175.4-67.3-94.3000111.2F37 F52 W67 Y68 R69 L79 F95 I110 D117 G119 A140 L142F37-Y121 WeakPolarHBondContact CE1-O 3.28Å; F52-Y121 HydrophobicContact CE2-CD2 4.48Å; W67-Y121 AromaticContact CE2-CD1 3.84Å; W67-Y121 AromaticContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CD1 3.9Å; W67-Y121 HydrophobicContact CZ2-CE1 4.19Å; W67-Y121 AromaticContact NE1-CD1 3.55Å; Y68-Y121 WeakPolarHBondContact O-CA 3.41Å; R69-Y121 HydrophobicContact CB-CD1 4.15Å; R69-Y121 HydrophobicContact CB-CE1 3.94Å; R69-Y121 HydrophobicContact CG-CD1 4.49Å; R69-Y121 HydrophobicContact CG-CE1 4.07Å; L79-Y121 HydrophobicContact CD1-CD1 3.65Å; L79-Y121 HydrophobicContact CD1-CE1 3.48Å; L79-Y121 VanDerWaalsContact CD1-CE1 3.48Å; F95-Y121 HydrophobicContact CE1-CE1 4.33Å; I110-Y121 HydrophobicContact CD1-CE1 4.38Å; D117-Y121 WeakPolarHBondContact O-CE2 3.02Å; D117-Y121 PolarHBondContact O-OH 3.09Å; G119-Y121 WeakPolarHBondContact O-CD2 3.32Å; Y121-A140 PolarHBondContact N-O 2.78Å; Y121-A140 PolarHBondContact O-N 2.81Å; Y121-L142 HydrophobicContact CD2-CB 3.86Å; Y121-L142 HydrophobicContact CE2-CB 3.65Å; Y121-L142 HydrophobicContact CE2-CD2 3.91Å; Y121-L142 HydrophobicContact CE2-CG 4.42Å
122L96.6Very high92.3Very high4 Ų447.7 Ų47.72%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-154.8159.8171.667.6101.3000111.2Y68 L70 E136 R139Y68-L122 HydrophobicContact CD2-CD1 3.94Å; Y68-L122 PolarHBondContact N-O 3.16Å; Y68-L122 PolarHBondContact O-N 3.29Å; Y68-L122 VanDerWaalsContact O-N 3.14Å; L70-L122 HydrophobicContact CD1-CD2 3.31Å; L70-L122 HydrophobicContact CD1-CG 4.34Å; L122-E136 HydrophobicContact CD1-CB 4.2Å; L122-E136 HydrophobicContact CD1-CG 4.21Å; L122-R139 HydrophobicContact CD2-CG 4.29Å
123C95.8Very high91.8Very high0 Ų048.3 Ų48.30%027%0.269CS..EExtended strand (participates in β ladder)trans-106.3149170.161.90000111.6F37 C54 N66 M108 S137F37-C123 HydrophobicContact CD2-CB 4.19Å; F37-C123 HydrophobicContact CE2-CB 4.37Å; C54-C123 HydrophobicContact CB-CB 3.72Å; C54-C123 WeakPolarHBondContact CB-SG 3.36Å; C54-C123 WeakPolarHBondContact SG-CB 3.46Å; C54-C123 CovalentContact SG-SG 2.04Å; C54-C123 PolarHBondContact SG-SG 2.69Å; N66-C123 WeakPolarHBondContact O-CA 3.26Å; M108-C123 HydrophobicContact CE-CB 3.26Å; M108-C123 HydrophobicContact SD-CB 3.65Å; C123-S137 PolarHBondContact N-OG 3.48Å; C123-S137 PolarHBondContact O-N 2.91Å; C123-S137 PolarHBondContact O-OG 3.21Å; C123-S137 VanDerWaalsContact SG-CB 3.51Å
124G94.3Very high91.4Very high1 Ų153.2 Ų53.21%0.0129%0.294CS..EExtended strand (participates in β ladder)trans-134.8131.4174.900000111.5N66 N135N66-G124 PolarHBondContact N-O 3.44Å; N66-G124 PolarHBondContact O-N 3.11Å; G124-N135 CarbonylContact C-O 3.59Å; G124-N135 WeakPolarHBondContact CA-O 3.4Å
125A92.6Very high91Very high0 Ų048.8 Ų48.80%028%0.28CS..EExtended strand (participates in β ladder)trans-98.6128.2172.800000109.7L35 L56 L65 I134 N135L35-A125 HydrophobicContact CD1-CB 4.06Å; L35-A125 HydrophobicContact CD2-CB 3.89Å; L35-A125 HydrophobicContact CG-CB 4.49Å; L56-A125 HydrophobicContact CD2-CB 4.47Å; L65-A125 HydrophobicContact CD1-CB 4.09Å; A125-I134 WeakPolarHBondContact O-CA 3.19Å; A125-N135 PolarHBondContact N-O 3.11Å; A125-N135 PolarHBondContact O-N 3.12Å
126I91.2Very high90.9Very high42 Ų4251.2 Ų51.222%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-105.1112.9170.3-54.7179.3000107.3F63 V64 N66 Q133 I134F63-I126 CarbonylContact C-O 3.57Å; F63-I126 VanDerWaalsContact CA-O 3.22Å; F63-I126 WeakPolarHBondContact CA-O 3.42Å; F63-I126 WeakPolarHBondContact CB-O 3.31Å; V64-I126 PolarHBondContact N-O 2.99Å; V64-I126 PolarHBondContact O-N 3.45Å; N66-I126 VanDerWaalsContact ND2-CD1 3.31Å; N66-I126 WeakPolarHBondContact ND2-CD1 3.45Å; I126-Q133 WeakPolarHBondContact CA-O 3.36Å; I126-I134 HydrophobicContact CG1-CG1 4.21Å; I126-I134 HydrophobicContact CG1-CG2 4.42Å; I126-I134 HydrophobicContact CG2-CG1 4.39Å
127Y88.9Confident90.9Very high16 Ų1646.7 Ų46.76%0.06327%0.266CS..EExtended strand (participates in β ladder)trans-76.6132.9172.9-55.7-87.2000108.8P60 N131 T132 Q133 N135P60-Y127 HydrophobicContact CB-CD1 3.75Å; P60-Y127 HydrophobicContact CB-CE1 4.01Å; P60-Y127 HydrophobicContact CG-CD1 3.57Å; P60-Y127 HydrophobicContact CG-CE1 3.63Å; Y127-N131 WeakPolarHBondContact CB-O 3.34Å; Y127-T132 WeakPolarHBondContact O-CA 3.27Å; Y127-Q133 HydrophobicContact CD2-CB 3.81Å; Y127-Q133 HydrophobicContact CD2-CG 4.42Å; Y127-Q133 WeakPolarHBondContact CD2-O 3.45Å; Y127-Q133 PolarHBondContact N-O 3.11Å; Y127-N135 HydrophobicContact CE2-CB 4.14Å; Y127-N135 PolarHBondContact OH-ND2 2.89Å
128L86.8Confident90.8Very high53 Ų5350.4 Ų50.428%0.27729%0.29SS..PPolyproline II helixtrans-88.2162.3-179.3-64.2178.9000110.7S62 V64S62-L128 PolarHBondContact O-N 3.33Å; S62-L128 WeakPolarHBondContact OG-CB 3.3Å; S62-L128 VanDerWaalsContact OG-CD1 3.23Å; S62-L128 WeakPolarHBondContact OG-CD1 3.16Å; V64-L128 HydrophobicContact CG2-CD1 4.2Å; V64-L128 HydrophobicContact CG2-CD2 4.39Å
129P83.8Confident90.8Very high99 Ų9956.1 Ų56.164%0.64331%0.306SS*.THydrogen-bonded Turntrans-50146.2-177.2-29.135.2000113.5
130P80.5Confident90.8Very high124 Ų12455.1 Ų55.181%0.80530%0.295SS*.THydrogen-bonded Turncis-86-17.71832.5-36000115.7
131N75.4Confident90.9Very high106 Ų10656.6 Ų56.657%0.56730%0.301SS*.SBendtrans-107.174.5-175.8-67.8-18.9000110.3Y127 Q133Y127-N131 WeakPolarHBondContact CB-O 3.34Å; N131-Q133 PolarHBondContact O-N 3.13Å
132T85.1Confident90.9Very high97 Ų9756.7 Ų56.760%0.59530%0.301SS*.  trans-70.1114.4179.3-53.30000110.6Y127Y127-T132 WeakPolarHBondContact O-CA 3.27Å
133Q86.1Confident91Very high54 Ų5458.6 Ų58.625%0.25232%0.315SS..EExtended strand (participates in β ladder)trans-141.8159.8176.9-174.4-177.25900109.4I126 Y127 N131 N135I126-Q133 WeakPolarHBondContact CA-O 3.36Å; Y127-Q133 HydrophobicContact CD2-CB 3.81Å; Y127-Q133 HydrophobicContact CD2-CG 4.42Å; Y127-Q133 WeakPolarHBondContact CD2-O 3.45Å; Y127-Q133 PolarHBondContact N-O 3.11Å; N131-Q133 PolarHBondContact O-N 3.13Å; Q133-N135 WeakPolarHBondContact CG-OD1 3.39Å; Q133-N135 PolarHBondContact OE1-OD1 2.98Å
134I88.6Confident91.1Very high105 Ų10559.1 Ų59.154%0.53832%0.318SS..EExtended strand (participates in β ladder)trans-126123.9174.7-53.6178.4000108.3A125 I126A125-I134 WeakPolarHBondContact O-CA 3.19Å; I126-I134 HydrophobicContact CG1-CG1 4.21Å; I126-I134 HydrophobicContact CG1-CG2 4.42Å; I126-I134 HydrophobicContact CG2-CG1 4.39Å
135N90.4Very high91.2Very high27 Ų2762.1 Ų62.114%0.14434%0.337CS..EExtended strand (participates in β ladder)trans-117.1131173.1-66.38.8000109.2L35 G124 A125 Y127 Q133L35-N135 HydrophobicContact CD1-CB 3.56Å; G124-N135 CarbonylContact C-O 3.59Å; G124-N135 WeakPolarHBondContact CA-O 3.4Å; A125-N135 PolarHBondContact N-O 3.11Å; A125-N135 PolarHBondContact O-N 3.12Å; Y127-N135 HydrophobicContact CE2-CB 4.14Å; Y127-N135 PolarHBondContact OH-ND2 2.89Å; Q133-N135 WeakPolarHBondContact CG-OD1 3.39Å; Q133-N135 PolarHBondContact OE1-OD1 2.98Å
136E93.4Very high91.4Very high121 Ų12169 Ų6957%0.56537%0.369SS*.EExtended strand (participates in β ladder)trans-106.9146.5176.2-66.7-175166.900110.3L122L122-E136 HydrophobicContact CD1-CB 4.2Å; L122-E136 HydrophobicContact CD1-CG 4.21Å
137S95Very high91.3Very high11 Ų1175.1 Ų75.18%0.07739%0.389CS..PPolyproline II helixtrans-79.5166.8173.373.10000112.1F37 C123F37-S137 VanDerWaalsContact CB-OG 3.28Å; F37-S137 WeakPolarHBondContact CB-OG 3.18Å; C123-S137 PolarHBondContact N-OG 3.48Å; C123-S137 PolarHBondContact O-N 2.91Å; C123-S137 PolarHBondContact O-OG 3.21Å; C123-S137 VanDerWaalsContact SG-CB 3.51Å
138P94.9Very high91.1Very high83 Ų8379 Ų7954%0.53942%0.415SS..PPolyproline II helixtrans-53.4156.2158-23.934.6000111.8L35L35-P138 WeakPolarHBondContact O-CD 3.32Å
139R95.4Very high90.7Very high161 Ų16183.7 Ų83.761%0.60844%0.439SS*.PPolyproline II helixtrans-81.6143178.2-64.6175.1-174.1-176.60.3110.2I120 L122I120-R139 HydrophobicContact CG2-CB 3.7Å; I120-R139 HydrophobicContact CG2-CG 4.02Å; L122-R139 HydrophobicContact CD2-CG 4.29Å
140A97.6Very high90.1Very high1 Ų186.1 Ų86.11%0.00844%0.442CS..EExtended strand (participates in β ladder)trans-123.9149.7169.200000111.5F37 P39 A40 F52 I120 Y121F37-A140 HydrophobicContact CD1-CB 3.5Å; F37-A140 HydrophobicContact CE1-CB 3.67Å; P39-A140 VanDerWaalsContact O-CB 3.24Å; P39-A140 WeakPolarHBondContact O-CB 3.02Å; A40-A140 CarbonylContact O-C 3.48Å; A40-A140 WeakPolarHBondContact O-CA 3.46Å; F52-A140 HydrophobicContact CD1-CB 4.02Å; F52-A140 HydrophobicContact CE1-CB 3.66Å; F52-A140 HydrophobicContact CZ-CB 4.44Å; I120-A140 CarbonylContact C-O 3.46Å; I120-A140 WeakPolarHBondContact CA-O 3.07Å; Y121-A140 PolarHBondContact N-O 2.78Å; Y121-A140 PolarHBondContact O-N 2.81Å
141E98.1Very high89.4Confident84 Ų8484.8 Ų84.839%0.39343%0.433SS..EExtended strand (participates in β ladder)trans-102.2133.1179.1-175.1168.6-159.500110.9A40 Q41 L42 I120A40-E141 PolarHBondContact O-N 3.5Å; Q41-E141 CarbonylContact C-O 3.56Å; Q41-E141 WeakPolarHBondContact CA-O 3.36Å; Q41-E141 HydrophobicContact CG-CB 4.25Å; L42-E141 PolarHBondContact N-O 3.02Å; I120-E141 HydrophobicContact CD1-CB 3.73Å; I120-E141 HydrophobicContact CD1-CG 3.88Å
142L98.4Very high88.4Confident1 Ų185.8 Ų85.81%0.00545%0.446CS..EExtended strand (participates in β ladder)trans-109.1125.3169.3179.162.5000109.4L42 V44 A50 F52 I110 D117 S118 G119 Y121 V144L42-L142 HydrophobicContact CB-CD1 4.17Å; L42-L142 HydrophobicContact CD2-CD1 4.03Å; L42-L142 HydrophobicContact CG-CD1 4Å; L42-L142 CarbonylContact O-C 3.55Å; L42-L142 WeakPolarHBondContact O-CA 3.29Å; V44-L142 HydrophobicContact CG2-CD1 4.12Å; A50-L142 HydrophobicContact CB-CD1 3.73Å; A50-L142 HydrophobicContact CB-CD2 4.07Å; F52-L142 HydrophobicContact CE2-CB 4.2Å; F52-L142 HydrophobicContact CE2-CD1 4.45Å; F52-L142 HydrophobicContact CZ-CB 3.94Å; F52-L142 HydrophobicContact CZ-CD1 4.36Å; I110-L142 HydrophobicContact CD1-CD2 3.44Å; I110-L142 VanDerWaalsContact CD1-CD2 3.44Å; D117-L142 HydrophobicContact CB-CD2 4.45Å; S118-L142 CarbonylContact C-O 3.56Å; S118-L142 WeakPolarHBondContact CA-O 3.45Å; G119-L142 PolarHBondContact N-O 2.78Å; G119-L142 PolarHBondContact O-N 3.27Å; Y121-L142 HydrophobicContact CD2-CB 3.86Å; Y121-L142 HydrophobicContact CE2-CB 3.65Å; Y121-L142 HydrophobicContact CE2-CD2 3.91Å; Y121-L142 HydrophobicContact CE2-CG 4.42Å; L142-V144 HydrophobicContact CD1-CG2 4.41Å; L142-V144 HydrophobicContact CD2-CG2 4.09Å; L142-V144 HydrophobicContact CG-CG2 4.01Å
143S98.3Very high86.7Confident44 Ų4486 Ų8631%0.30845%0.447SS..EExtended strand (participates in β ladder)trans-113.9115171-70.30000109.5L42 T43 V44L42-S143 PolarHBondContact O-N 2.88Å; T43-S143 VanDerWaalsContact CA-O 3.27Å; T43-S143 WeakPolarHBondContact CA-O 3.49Å; V44-S143 PolarHBondContact N-O 2.04Å
144V98.1Very high85Confident11 Ų1192.3 Ų92.37%0.06748%0.477CS..EExtended strand (participates in β ladder)trans-100.4115.7174.1-172.50000108.3V44 E46 A113 R114 L115 D117 S118 L142V44-V144 HydrophobicContact CG2-CG1 4.41Å; V44-V144 HydrophobicContact CG2-CG2 4.04Å; V44-V144 CarbonylContact O-C 3.49Å; V44-V144 WeakPolarHBondContact O-CA 3.28Å; E46-V144 HydrophobicContact CB-CG1 4.22Å; A113-V144 HydrophobicContact CB-CG1 4.15Å; A113-V144 HydrophobicContact CB-CG2 4.02Å; R114-V144 WeakPolarHBondContact O-CG2 3.28Å; L115-V144 HydrophobicContact CD2-CG1 4.46Å; L115-V144 WeakPolarHBondContact CD2-O 3.49Å; D117-V144 HydrophobicContact CB-CG2 4.37Å; S118-V144 PolarHBondContact OG-N 2.53Å; L142-V144 HydrophobicContact CD1-CG2 4.41Å; L142-V144 HydrophobicContact CD2-CG2 4.09Å; L142-V144 HydrophobicContact CG-CG2 4.01Å
145T97.5Very high83.2Confident65 Ų6591.3 Ų91.340%0.39948%0.479SS..EExtended strand (participates in β ladder)trans-93.4156.7178.460.80000110.7T43 V44 Q45 E46T43-T145 HydrophobicContact CG2-CG2 3.95Å; V44-T145 PolarHBondContact O-N 3.39Å; V44-T145 PolarHBondContact O-OG1 3.21Å; Q45-T145 CarbonylContact C-O 3.54Å; E46-T145 PolarHBondContact N-O 3.02Å
146E96Very high81.4Confident145 Ų14595.6 Ų95.668%0.67851%0.508SS*.PPolyproline II helixtrans-55.3146.1173.4-68.3-179.7178.500111L115 T148L115-E146 HydrophobicContact CD1-CG 4.14Å; L115-E146 HydrophobicContact CD2-CG 4.08Å; E146-T148 PolarHBondContact O-N 3.45Å
147R89.9Confident79.4Confident169 Ų16994.9 Ų94.964%0.63852%0.517SS*.PPolyproline II helixtrans-67121.6174.4-171.2172.8-176156.22.2108.5E46 L149E46-R147 HydrophobicContact CB-CB 4.43Å; R147-L149 PolarHBondContact O-N 2.88Å
148T84.4Confident77.5Confident99 Ų9999.4 Ų99.461%0.60755%0.545SS*.  trans-70.4106.9170.8-56.90000107E146 E150E146-T148 PolarHBondContact O-N 3.45Å; T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 3.28Å
149L78.8Confident75.9Confident151 Ų151100.5 Ų100.579%0.79155%0.553SS**  trans-6798.2161.3-69.3172.4000105.2R147 P151R147-L149 PolarHBondContact O-N 2.88Å; L149-P151 VanDerWaalsContact O-CD 3.3Å; L149-P151 WeakPolarHBondContact O-CD 3.49Å
150E70.6Confident73.7Confident149 Ų14998.6 Ų98.670%0.69656%0.561SS**  trans-50.8118.9164.4-160.2177.4157.100105.3T148 T153T148-E150 VanDerWaalsContact C-N 3.26Å; T148-E150 PolarHBondContact O-N 3.28Å; E150-T153 PolarHBondContact OE1-OG1 2.92Å
151P65.3Low71.8Confident96 Ų96109.8 Ų109.862%0.62360%0.603SS**  trans-49.6142173.1-21.130.4000106.3L149 T153L149-P151 VanDerWaalsContact O-CD 3.3Å; L149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-T153 PolarHBondContact O-N 3.13Å
152P54.1Low69.7Low127 Ų127112.3 Ų112.383%0.82562%0.619SS**  trans-53.3102.7174.421.5-30.5000106.8Q154P152-Q154 PolarHBondContact O-N 3.36Å
153T50Low67.5Low103 Ų103115.7 Ų115.763%0.63264%0.642SS**  trans-60.8103.2172.4-69.50000101.9E150 P151 S155E150-T153 PolarHBondContact OE1-OG1 2.92Å; P151-T153 PolarHBondContact O-N 3.13Å; T153-S155 PolarHBondContact O-N 3.07Å
154Q50.3Low65.4Low186 Ų186116.3 Ų116.387%0.86966%0.656SS**  trans-65.484.9175.7-161.2179.240.400104.1P152 P156P152-Q154 PolarHBondContact O-N 3.36Å; Q154-P156 WeakPolarHBondContact O-CD 3.38Å; Q154-P156 VanDerWaalsContact O-N 3.08Å
155S51.3Low63.4Low84 Ų84123.8 Ų123.859%0.58769%0.69SS**PPolyproline II helixtrans-53.2120174.2179.10000104.7T153 S157T153-S155 PolarHBondContact O-N 3.07Å; S155-S157 PolarHBondContact O-N 2.91Å
156P52Low61.5Low116 Ų116126.1 Ų126.175%0.75370%0.7SS**PPolyproline II helixtrans-56.4122169.621.9-28.5000105.9Q154Q154-P156 WeakPolarHBondContact O-CD 3.38Å; Q154-P156 VanDerWaalsContact O-N 3.08Å
157S50.9Low59.6Low107 Ų107125.2 Ų125.275%0.74870%0.695SS**PPolyproline II helixtrans-46.5128.5177.7-45.30000108.2S155S155-S157 PolarHBondContact O-N 2.91Å
158P56.3Low58.1Low105 Ų105119.3 Ų119.368%0.68269%0.687SS**PPolyproline II helixtrans-57.9136.117522.9-30.9000108.1
159P61Low57Low106 Ų106120 Ų12069%0.68869%0.687SS**PPolyproline II helixtrans-56.4145.4178.723.3-32.7000109.3R161P159-R161 PolarHBondContact O-N 3.41Å
160P49.6Very low56.5Low121 Ų121117 Ų11779%0.78667%0.674SS**  trans-54.7115.4-178.622.2-32000108.5L162P160-L162 PolarHBondContact O-N 2.84Å
161R56.4Low56.3Low237 Ų237115.3 Ų115.389%0.89467%0.668SS**  trans-70.978.5175.7-74.9-165.8178.2178.61.4109.1P159 S163P159-R161 PolarHBondContact O-N 3.41Å; R161-S163 PolarHBondContact O-N 2.85Å
162L53.9Low56.6Low137 Ų137112.4 Ų112.472%0.71766%0.656SS**THydrogen-bonded Turntrans-82.760.4170-143.8140.1000108.4P160P160-L162 PolarHBondContact O-N 2.84Å
163S53.1Low57.6Low71 Ų71110.7 Ų110.750%0.49764%0.643SS.*THydrogen-bonded Turntrans-132.7-11.4-178.4-144.60000114.1R161R161-S163 PolarHBondContact O-N 2.85Å
164G53.9Low58.9Low58 Ų58109.3 Ų109.360%0.59863%0.634SS**Hα-helixtrans-79.6-30.1175.700000114.5G168G164-G168 PolarHBondContact O-N 2.91Å
165Q56.4Low60.3Low168 Ų168104.3 Ų104.379%0.78562%0.62SS**Hα-helixtrans-82.6-30.9-169.4-162.5166.4-13.400113.5L169Q165-L169 PolarHBondContact O-N 3.44Å
166L56.5Low62Low114 Ų114105 Ų10560%0.59762%0.621SS**Hα-helixtrans-79.9-36.6174.9-93.5145.8000112.3L169 V170L166-L169 PolarHBondContact O-N 2.88Å; L166-V170 VanDerWaalsContact O-CG2 3.23Å; L166-V170 WeakPolarHBondContact O-CG2 3.24Å; L166-V170 PolarHBondContact O-N 2.98Å
167Q56.6Low63.8Low126 Ų126105.6 Ų105.659%0.58962%0.617SS**Hα-helixtrans-68.3-41.4177.3-73.8-170.6-29.300112.2L169 V170 I171Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 3.01Å; Q167-V170 PolarHBondContact O-N 3.06Å; Q167-I171 WeakPolarHBondContact O-CB 3.19Å; Q167-I171 WeakPolarHBondContact O-CD1 3.41Å; Q167-I171 WeakPolarHBondContact O-CG1 3.37Å; Q167-I171 PolarHBondContact O-N 3.29Å
168G58.7Low65.7Low45 Ų45104.5 Ų104.546%0.46461%0.605SS.*Hα-helixtrans-62.6-37.7174.900000113.1G164 G172G164-G168 PolarHBondContact O-N 2.91Å; G168-G172 PolarHBondContact O-N 2.9Å
169L62.3Low67.3Low114 Ų114100.9 Ų100.960%0.59759%0.588SS**Hα-helixtrans-68.8-42.2175.6-170.470.1000111.8Q165 L166 Q167 G172 V173Q165-L169 PolarHBondContact O-N 3.44Å; L166-L169 PolarHBondContact O-N 2.88Å; Q167-L169 VanDerWaalsContact C-N 3.32Å; Q167-L169 PolarHBondContact O-N 3.01Å; L169-G172 PolarHBondContact O-N 2.99Å; L169-V173 HydrophobicContact CD1-CG2 4.49Å; L169-V173 HydrophobicContact CG-CG2 4.47Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.23Å; L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 2.86Å
170V67.1Low68.8Low86 Ų8699.4 Ų99.452%0.52158%0.576SS.*Hα-helixtrans-66.2-41.8177.4173.40000111.2L166 Q167 T174L166-V170 VanDerWaalsContact O-CG2 3.23Å; L166-V170 WeakPolarHBondContact O-CG2 3.24Å; L166-V170 PolarHBondContact O-N 2.98Å; Q167-V170 PolarHBondContact O-N 3.06Å; V170-T174 HydrophobicContact CG1-CG2 4.29Å; V170-T174 VanDerWaalsContact O-CB 3.31Å; V170-T174 WeakPolarHBondContact O-CB 3.33Å; V170-T174 WeakPolarHBondContact O-CG2 3.21Å; V170-T174 PolarHBondContact O-N 2.9Å; V170-T174 PolarHBondContact O-OG1 2.83Å
171I66.1Low70.9Confident114 Ų11499 Ų9959%0.58557%0.567SS**Hα-helixtrans-66.6-40.6176.4-65163.8000110.8Q167 T174 S175Q167-I171 WeakPolarHBondContact O-CB 3.19Å; Q167-I171 WeakPolarHBondContact O-CD1 3.41Å; Q167-I171 WeakPolarHBondContact O-CG1 3.37Å; Q167-I171 PolarHBondContact O-N 3.29Å; I171-T174 WeakPolarHBondContact CA-OG1 3.25Å; I171-T174 PolarHBondContact O-OG1 3.38Å; I171-T174 VanDerWaalsContact O-OG1 3.13Å; I171-S175 WeakPolarHBondContact O-CB 3.06Å; I171-S175 PolarHBondContact O-N 2.85Å
172G71.2Confident72.6Confident35 Ų3592.9 Ų92.936%0.36155%0.551SS.*Hα-helixtrans-63.1-48.9175.400000112.9G168 L169 S175 V176G168-G172 PolarHBondContact O-N 2.9Å; L169-G172 PolarHBondContact O-N 2.99Å; G172-S175 PolarHBondContact O-N 2.8Å; G172-V176 VanDerWaalsContact O-CG2 3.3Å; G172-V176 WeakPolarHBondContact O-CG2 3.42Å; G172-V176 PolarHBondContact O-N 2.94Å
173V75.8Confident74.5Confident92 Ų9291.7 Ų91.756%0.55855%0.545SS*.Hα-helixtrans-67.1-41.5-179.1173.80000111.5L169 V176 L177L169-V173 HydrophobicContact CD1-CG2 4.49Å; L169-V173 HydrophobicContact CG-CG2 4.47Å; L169-V173 WeakPolarHBondContact O-CB 3.48Å; L169-V173 VanDerWaalsContact O-CG2 3.23Å; L169-V173 WeakPolarHBondContact O-CG2 3.23Å; L169-V173 PolarHBondContact O-N 2.86Å; V173-V176 PolarHBondContact O-N 3.14Å; V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 PolarHBondContact O-N 2.92Å
174T76.6Confident76.3Confident73 Ų7393.3 Ų93.345%0.44855%0.548SS..Hα-helixtrans-67-39.4176.952.70000112.1V170 I171 L177 V178V170-T174 HydrophobicContact CG1-CG2 4.29Å; V170-T174 VanDerWaalsContact O-CB 3.31Å; V170-T174 WeakPolarHBondContact O-CB 3.33Å; V170-T174 WeakPolarHBondContact O-CG2 3.21Å; V170-T174 PolarHBondContact O-N 2.9Å; V170-T174 PolarHBondContact O-OG1 2.83Å; I171-T174 WeakPolarHBondContact CA-OG1 3.25Å; I171-T174 PolarHBondContact O-OG1 3.38Å; I171-T174 VanDerWaalsContact O-OG1 3.13Å; T174-L177 PolarHBondContact O-N 2.74Å; T174-V178 VanDerWaalsContact O-CG2 3.28Å; T174-V178 WeakPolarHBondContact O-CG2 3.22Å; T174-V178 PolarHBondContact O-N 2.63Å
175S81.1Confident78.1Confident82 Ų8295 Ų9557%0.57354%0.542SS*.Hα-helixtrans-63-44.3175.7-179.30000112.2I171 G172 V178 G179I171-S175 WeakPolarHBondContact O-CB 3.06Å; I171-S175 PolarHBondContact O-N 2.85Å; G172-S175 PolarHBondContact O-N 2.8Å; S175-V178 PolarHBondContact O-N 2.9Å; S175-G179 PolarHBondContact O-N 3.34Å
176V87Confident79.7Confident98 Ų9892.1 Ų92.159%0.59453%0.532SS*.Hα-helixtrans-63.3-44.2176.5172.70000111.1G172 V173 V178 G179 V180G172-V176 VanDerWaalsContact O-CG2 3.3Å; G172-V176 WeakPolarHBondContact O-CG2 3.42Å; G172-V176 PolarHBondContact O-N 2.94Å; V173-V176 PolarHBondContact O-N 3.14Å; V176-V178 PolarHBondContact O-N 2.75Å; V176-G179 PolarHBondContact O-N 3.41Å; V176-V180 HydrophobicContact CG1-CG2 4.45Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 2.85Å
177L89.1Confident81.2Confident129 Ų12990.2 Ų90.268%0.67553%0.525SS*.Hα-helixtrans-61.8-43.2179.8-16872.7000111.9V173 T174 V180 L181V173-L177 WeakPolarHBondContact O-CB 3.46Å; V173-L177 PolarHBondContact O-N 2.92Å; T174-L177 PolarHBondContact O-N 2.74Å; L177-V180 PolarHBondContact O-N 3.28Å; L177-L181 PolarHBondContact O-N 2.81Å
178V90.4Very high82.8Confident83 Ų8392.7 Ų92.750%0.50353%0.529SS..Hα-helixtrans-66.5-40.7176.3173.80000111.1T174 S175 V176 V180 L181 L182T174-V178 VanDerWaalsContact O-CG2 3.28Å; T174-V178 WeakPolarHBondContact O-CG2 3.22Å; T174-V178 PolarHBondContact O-N 2.63Å; S175-V178 PolarHBondContact O-N 2.9Å; V176-V178 PolarHBondContact O-N 2.75Å; V178-V180 PolarHBondContact O-N 2.99Å; V178-L181 PolarHBondContact O-N 2.88Å; V178-L182 HydrophobicContact CG1-CD1 4Å; V178-L182 WeakPolarHBondContact O-CG 3.21Å; V178-L182 PolarHBondContact O-N 3.11Å
179G89.9Confident84Confident30 Ų3093.7 Ų93.731%0.30953%0.526SS..Hα-helixtrans-60.9-43.317600000113S175 V176 L182 L183S175-G179 PolarHBondContact O-N 3.34Å; V176-G179 PolarHBondContact O-N 3.41Å; G179-L182 PolarHBondContact O-N 3.48Å; G179-L183 PolarHBondContact O-N 3.15Å
180V93.3Very high84.9Confident74 Ų7492.1 Ų92.145%0.44852%0.518SS..Hα-helixtrans-64-42.9175.5173.20000111.1V176 L177 V178 L182 L183 L184V176-V180 HydrophobicContact CG1-CG2 4.45Å; V176-V180 WeakPolarHBondContact O-CG2 3.24Å; V176-V180 PolarHBondContact O-N 2.85Å; L177-V180 PolarHBondContact O-N 3.28Å; V178-V180 PolarHBondContact O-N 2.99Å; V180-L182 VanDerWaalsContact C-N 3.33Å; V180-L182 PolarHBondContact O-N 3.41Å; V180-L183 PolarHBondContact O-N 2.88Å; V180-L184 HydrophobicContact CG1-CD1 4.03Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 WeakPolarHBondContact O-CG 3.37Å; V180-L184 PolarHBondContact O-N 2.99Å
181L93.1Very high85.4Confident112 Ų11291.5 Ų91.559%0.58652%0.522SS*.Hα-helixtrans-61.9-41.9177.4-173.566.4000111.7L177 V178 L184 L185L177-L181 PolarHBondContact O-N 2.81Å; V178-L181 PolarHBondContact O-N 2.88Å; L181-L184 PolarHBondContact O-N 2.92Å; L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 PolarHBondContact O-N 2.94Å
182L92.9Very high85.8Confident110 Ų11089 Ų8958%0.57652%0.518SS*.Hα-helixtrans-64.9-41.6176.3-75.7166.7000112.2V178 G179 V180 L185 L186V178-L182 HydrophobicContact CG1-CD1 4Å; V178-L182 WeakPolarHBondContact O-CG 3.21Å; V178-L182 PolarHBondContact O-N 3.11Å; G179-L182 PolarHBondContact O-N 3.48Å; V180-L182 VanDerWaalsContact C-N 3.33Å; V180-L182 PolarHBondContact O-N 3.41Å; L182-L185 PolarHBondContact O-N 2.82Å; L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 PolarHBondContact O-N 2.8Å
183L92.8Very high85.8Confident111 Ų11192.1 Ų92.158%0.58153%0.53SS*.Hα-helixtrans-62.9-41.6174.7-82.4160.9000112.1G179 V180 L185 L186 T187G179-L183 PolarHBondContact O-N 3.15Å; V180-L183 PolarHBondContact O-N 2.88Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L183-L186 PolarHBondContact O-N 3.17Å; L183-T187 WeakPolarHBondContact O-CB 3.48Å; L183-T187 VanDerWaalsContact O-CG2 3.29Å; L183-T187 WeakPolarHBondContact O-CG2 3.38Å; L183-T187 PolarHBondContact O-N 3.24Å; L183-T187 PolarHBondContact O-OG1 3.32Å
184L92.3Very high85.1Confident106 Ų10694.8 Ų94.856%0.55553%0.534SS*.Hα-helixtrans-64-40174.6-73.5171000111.5V180 L181 T187 W188V180-L184 HydrophobicContact CG1-CD1 4.03Å; V180-L184 HydrophobicContact CG1-CG 4.45Å; V180-L184 WeakPolarHBondContact O-CG 3.37Å; V180-L184 PolarHBondContact O-N 2.99Å; L181-L184 PolarHBondContact O-N 2.92Å; L184-T187 WeakPolarHBondContact CA-OG1 3.18Å; L184-T187 PolarHBondContact O-OG1 2.88Å; L184-W188 VanDerWaalsContact O-CB 3.26Å; L184-W188 WeakPolarHBondContact O-CB 3.4Å; L184-W188 PolarHBondContact O-N 2.96Å
185L91.1Very high84Confident93 Ų9396.3 Ų96.349%0.48755%0.545SS..Hα-helixtrans-65.2-43.2174.7-122151.3000111.3L181 L182 L183 W188 V189L181-L185 WeakPolarHBondContact O-CB 3.47Å; L181-L185 PolarHBondContact O-N 2.94Å; L182-L185 PolarHBondContact O-N 2.82Å; L183-L185 VanDerWaalsContact C-N 3.33Å; L185-W188 PolarHBondContact O-N 2.81Å; L185-V189 HydrophobicContact CD2-CG2 4.38Å; L185-V189 WeakPolarHBondContact O-CB 3.41Å; L185-V189 VanDerWaalsContact O-CG2 3.25Å; L185-V189 WeakPolarHBondContact O-CG2 3.3Å; L185-V189 PolarHBondContact O-N 2.64Å
186L89.9Confident82.9Confident107 Ų107104 Ų10456%0.5656%0.562SS**Hα-helixtrans-65.7-43.5179.3-159.3114.3000111.6L182 L183 W188 V189 L190L182-L186 WeakPolarHBondContact O-CB 3.37Å; L182-L186 PolarHBondContact O-N 2.8Å; L183-L186 PolarHBondContact O-N 3.17Å; L186-W188 VanDerWaalsContact C-N 3.35Å; L186-V189 PolarHBondContact O-N 2.86Å; L186-L190 HydrophobicContact CD2-CD1 3.83Å; L186-L190 HydrophobicContact CG-CD1 4.45Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.22Å
187T88.4Confident80.7Confident75 Ų75103.8 Ų103.846%0.4657%0.57SS.*Hα-helixtrans-65.2-38.1174.7520000111.8L183 L184 L190 A191L183-T187 WeakPolarHBondContact O-CB 3.48Å; L183-T187 VanDerWaalsContact O-CG2 3.29Å; L183-T187 WeakPolarHBondContact O-CG2 3.38Å; L183-T187 PolarHBondContact O-N 3.24Å; L183-T187 PolarHBondContact O-OG1 3.32Å; L184-T187 WeakPolarHBondContact CA-OG1 3.18Å; L184-T187 PolarHBondContact O-OG1 2.88Å; T187-L190 PolarHBondContact O-N 2.99Å; T187-A191 VanDerWaalsContact O-CB 3.31Å; T187-A191 WeakPolarHBondContact O-CB 3.31Å; T187-A191 PolarHBondContact O-N 3.25Å
188W89.4Confident78.7Confident178 Ų178104.3 Ų104.367%0.67458%0.579SS**Hα-helixtrans-65.4-43.5173.9-175.977.3000112.2L184 L185 L186 A191 A192L184-W188 VanDerWaalsContact O-CB 3.26Å; L184-W188 WeakPolarHBondContact O-CB 3.4Å; L184-W188 PolarHBondContact O-N 2.96Å; L185-W188 PolarHBondContact O-N 2.81Å; L186-W188 VanDerWaalsContact C-N 3.35Å; W188-A191 PolarHBondContact O-N 3.38Å; W188-A192 VanDerWaalsContact O-CB 3.28Å; W188-A192 WeakPolarHBondContact O-CB 3.28Å; W188-A192 PolarHBondContact O-N 3.3Å
189V84.7Confident76.5Confident65 Ų65112.5 Ų112.539%0.39460%0.601SS.*Hα-helixtrans-62.2-44.8173.5170.90000110.4L185 L186 A191 A192 V193L185-V189 HydrophobicContact CD2-CG2 4.38Å; L185-V189 WeakPolarHBondContact O-CB 3.41Å; L185-V189 VanDerWaalsContact O-CG2 3.25Å; L185-V189 WeakPolarHBondContact O-CG2 3.3Å; L185-V189 PolarHBondContact O-N 2.64Å; L186-V189 PolarHBondContact O-N 2.86Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 2.8Å; V189-A192 PolarHBondContact O-N 3.38Å; V189-V193 HydrophobicContact CG1-CG2 3.87Å; V189-V193 WeakPolarHBondContact O-CB 3.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.35Å; V189-V193 PolarHBondContact O-N 3.07Å
190L81Confident74Confident82 Ų82114.2 Ų114.243%0.42962%0.619SS.*Hα-helixtrans-60.9-42.2175.4-74166.5000111.4L186 T187 A192 F194L186-L190 HydrophobicContact CD2-CD1 3.83Å; L186-L190 HydrophobicContact CG-CD1 4.45Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 VanDerWaalsContact O-CG 3.22Å; L186-L190 WeakPolarHBondContact O-CG 3.45Å; L186-L190 PolarHBondContact O-N 3.22Å; T187-L190 PolarHBondContact O-N 2.99Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.08Å; L190-F194 HydrophobicContact CD2-CD2 3.9Å; L190-F194 HydrophobicContact CD2-CE2 3.6Å; L190-F194 VanDerWaalsContact O-CB 3.26Å; L190-F194 WeakPolarHBondContact O-CB 3.38Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 3.49Å
191A77.8Confident71.3Confident72 Ų72115.3 Ų115.360%0.59564%0.635SS**Hα-helixtrans-68.3-32176.700000113.1T187 W188 V189T187-A191 VanDerWaalsContact O-CB 3.31Å; T187-A191 WeakPolarHBondContact O-CB 3.31Å; T187-A191 PolarHBondContact O-N 3.25Å; W188-A191 PolarHBondContact O-N 3.38Å; V189-A191 VanDerWaalsContact C-N 3.34Å; V189-A191 PolarHBondContact O-N 2.8Å
192A74.9Confident68.3Low61 Ų61116.2 Ų116.250%0.50465%0.649SS.*Hα-helixtrans-81-34.517800000113W188 V189 L190W188-A192 VanDerWaalsContact O-CB 3.28Å; W188-A192 WeakPolarHBondContact O-CB 3.28Å; W188-A192 PolarHBondContact O-N 3.3Å; V189-A192 PolarHBondContact O-N 3.38Å; L190-A192 VanDerWaalsContact C-N 3.34Å; L190-A192 PolarHBondContact O-N 3.08Å
193V69.8Low65.7Low102 Ų102117.5 Ų117.562%0.61866%0.661SS**Hα-helixtrans-86.8-26.9-178.8175.40000111.9V189 P195V189-V193 HydrophobicContact CG1-CG2 3.87Å; V189-V193 WeakPolarHBondContact O-CB 3.4Å; V189-V193 WeakPolarHBondContact O-CG2 3.35Å; V189-V193 PolarHBondContact O-N 3.07Å; V193-P195 WeakPolarHBondContact O-CD 3.49Å
194F62.4Low62.7Low147 Ų147118 Ų11865%0.64567%0.673SS**SBendtrans-105.474.8169-65.4-82.7000111.2L190 R196L190-F194 HydrophobicContact CD2-CD2 3.9Å; L190-F194 HydrophobicContact CD2-CE2 3.6Å; L190-F194 VanDerWaalsContact O-CB 3.26Å; L190-F194 WeakPolarHBondContact O-CB 3.38Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 3.49Å; F194-R196 PolarHBondContact O-N 2.68Å
195P53.3Low59.9Low105 Ų105116.8 Ų116.868%0.68269%0.686SS**  trans-70.1107.9166.429.2-29.8000108.7V193V193-P195 WeakPolarHBondContact O-CD 3.49Å
196R56.4Low57Low245 Ų245118 Ų11893%0.92570%0.703SS**  trans40.5104.7155.8-80.7-176.116893.7-0.5117.5F194F194-R196 PolarHBondContact O-N 2.68Å
197A42.7Very low54.6Low93 Ų93121 Ų12177%0.76971%0.714SS**  trans-135.8117.4136.800000104.8
198T46.1Very low51.8Low140 Ų140124.7 Ų124.786%0.85973%0.731SS**  cis-164.4148.324.7190000108.5
199R45Very low49.3Very low255 Ų255124.3 Ų124.396%0.96274%0.736SS**  trans-95.1133.4160.6-164.4-176.6-166.3-178.83.4106.6
200G37Very low47.4Very low66 Ų66126 Ų12668%0.6875%0.749SS**  trans155.397.1168.600000111.5
201A36Very low45.3Very low97 Ų97129.4 Ų129.480%0.80277%0.766SS**  77.1124.5101.500000111.4
202C31.1Very low43.1Very low130 Ų130136.1 Ų136.188%0.87878%0.782SS**  cis-157.2160.347.8-85.30000113.5
203V37.3Very low41Very low137 Ų137141.9 Ų141.983%0.8380%0.798SS**  trans-61.9137.4165.9169.60000111.8
204C30.5Very low39.1Very low123 Ų123140.2 Ų140.283%0.83180%0.802SS**  176.5136126.3-95.90000109.9
205G32.9Very low38.4Very low80 Ų80139 Ų13983%0.82581%0.809SS**  trans-83169.2-177.300000114.3
206S30.4Very low37.3Very low119 Ų119141.8 Ų141.883%0.83282%0.818SS**  trans-171.7142.5142.6-1690000108.3
207E39.7Very low36.3Very low169 Ų169134.4 Ų134.479%0.7981%0.809SS**  trans-63.6170.6175.7-69163.1104.200113.1
208D29.5Very low36.1Very low153 Ų153133.7 Ų133.782%0.81880%0.804SS**  trans118.7108.5150.4-59.7-33.6000118.2
209E36.9Very low36Very low170 Ų170132.6 Ų132.679%0.79480%0.799SS**  trans-59.3162.9138.3-126.4-162.875.100109.1
210P44.3Very low35.8Very low101 Ų101125.5 Ų125.566%0.65678%0.784SS**  cis-149.2-175.828.436.6-11.2000117
211L37.9Very low35.8Very low152 Ų152132 Ų13280%0.79679%0.793SS**  trans20.4128.5155.3-93.588.1000120.8
212K31.6Very low36.1Very low214 Ų214133.2 Ų133.293%0.9379%0.791SS**  -164.4153.2120.2-125.9174.4177.4175.70115
213E30.3Very low37.1Very low181 Ų181133.5 Ų133.585%0.84678%0.783SS**  trans-104.1146.7-163.1176.7171.4-173.500112.7
214G29.1Very low37.5Very low67 Ų67134.1 Ų134.169%0.69178%0.782SS**  trans82.7174.4150.300000119
215P47.8Very low38.4Very low123 Ų123137.7 Ų137.780%0.79978%0.779SS**  -129.7159.7-73.337.2-25.7000111.3
216D31.3Very low39.3Very low163 Ų163137.2 Ų137.287%0.87277%0.774SS**  177.8146.6129.8-117.2-31000115.8
217A34.5Very low40.2Very low89 Ų89140.5 Ų140.574%0.73678%0.777SS**  trans63.7105.6148.600000121.2
218A38.9Very low40.7Very low79 Ų79139 Ų13965%0.65377%0.773SS**  trans-68.8171.3161.400000113.1V220A218-V220 HydrophobicContact CB-CG2 4.06Å
219P44.4Very low41.6Very low116 Ų116137.2 Ų137.275%0.75376%0.764SS**  -133.5118.289.533.6-20.3000111.4
220V39.8Very low42Very low106 Ų106137.3 Ų137.364%0.64276%0.762SS**  45.195.895.8-171.10000113.6A218 T222A218-V220 HydrophobicContact CB-CG2 4.06Å; V220-T222 VanDerWaalsContact CG1-OG1 3.3Å; V220-T222 WeakPolarHBondContact CG1-OG1 3.37Å
221F36.8Very low42.1Very low202 Ų202139.3 Ų139.389%0.88676%0.763SS**  trans-12195.1144.8-81.8-84000107.2L223F221-L223 PolarHBondContact O-N 3.19Å
222T44Very low42.2Very low124 Ų124142.9 Ų142.976%0.76177%0.766SS**  trans-74.4107172.4-36.80000107.6V220V220-T222 VanDerWaalsContact CG1-OG1 3.3Å; V220-T222 WeakPolarHBondContact CG1-OG1 3.37Å
223L50.8Low42.9Very low136 Ų136142.9 Ų142.971%0.71276%0.76SS**  trans-85.9108.3160.3-90.2156.9000107.1F221 Y225F221-L223 PolarHBondContact O-N 3.19Å; L223-Y225 HydrophobicContact CB-CD2 4.43Å; L223-Y225 HydrophobicContact CB-CE2 3.99Å; L223-Y225 PolarHBondContact O-N 3.2Å
224D47.1Very low43.8Very low150 Ų150141.9 Ų141.980%0.80276%0.755SS**  trans-71.2101.5174.6-173.825000108.9
225Y48Very low44.4Very low197 Ų197148 Ų14877%0.77376%0.763SS**  trans-89.7104.7168.3-74.3-84.2000107.6L223 E227L223-Y225 HydrophobicContact CB-CD2 4.43Å; L223-Y225 HydrophobicContact CB-CE2 3.99Å; L223-Y225 PolarHBondContact O-N 3.2Å; Y225-E227 PolarHBondContact O-N 3.34Å
226G52.1Low44.2Very low70 Ų70147.8 Ų147.872%0.72276%0.759SS**  trans-59.5109.9170.200000110.7
227E48.8Very low45.1Very low189 Ų189145.7 Ų145.788%0.88375%0.754SS**  trans-76.3114.4170.5-170.9166.3-171.400108.9Y225 D229Y225-E227 PolarHBondContact O-N 3.34Å; E227-D229 PolarHBondContact O-N 3.02Å
228L51.8Low45.7Very low136 Ų136149.9 Ų149.971%0.71276%0.759SS**  trans-84.498.5169.1-78.5162.2000108.3F230L228-F230 HydrophobicContact CB-CD2 4.11Å; L228-F230 HydrophobicContact CB-CE2 3.53Å; L228-F230 HydrophobicContact CB-CZ 3.93Å; L228-F230 HydrophobicContact CD1-CE2 4.23Å; L228-F230 HydrophobicContact CD1-CZ 4Å; L228-F230 HydrophobicContact CG-CE2 4.43Å; L228-F230 HydrophobicContact CG-CZ 4.4Å; L228-F230 WeakPolarHBondContact O-CD2 3.25Å; L228-F230 PolarHBondContact O-N 3.02Å; L228-F230 VanDerWaalsContact O-N 3.13Å
229D46.8Very low46.4Very low116 Ų116151.3 Ų151.362%0.6276%0.761SS**  trans-70.498.8166.2-177.624.2000108.9E227 Q231E227-D229 PolarHBondContact O-N 3.02Å; D229-Q231 VanDerWaalsContact C-N 3.27Å; D229-Q231 PolarHBondContact O-N 3.41Å; D229-Q231 VanDerWaalsContact O-N 3.15Å; D229-Q231 WeakPolarHBondContact OD2-CG 3.36Å; D229-Q231 PolarHBondContact OD2-NE2 3.47Å
230F45.9Very low46.6Very low172 Ų172151.7 Ų151.775%0.75476%0.764SS**  trans-83.978.5167.8-64.8-80.4000108.7L228 W232L228-F230 HydrophobicContact CB-CD2 4.11Å; L228-F230 HydrophobicContact CB-CE2 3.53Å; L228-F230 HydrophobicContact CB-CZ 3.93Å; L228-F230 HydrophobicContact CD1-CE2 4.23Å; L228-F230 HydrophobicContact CD1-CZ 4Å; L228-F230 HydrophobicContact CG-CE2 4.43Å; L228-F230 HydrophobicContact CG-CZ 4.4Å; L228-F230 WeakPolarHBondContact O-CD2 3.25Å; L228-F230 PolarHBondContact O-N 3.02Å; L228-F230 VanDerWaalsContact O-N 3.13Å; F230-W232 PolarHBondContact O-N 3.35Å
231Q46.7Very low47.2Very low144 Ų144150.7 Ų150.767%0.67377%0.767SS**  trans-64.592161.7-90.9-176.963.700109D229 R233D229-Q231 VanDerWaalsContact C-N 3.27Å; D229-Q231 PolarHBondContact O-N 3.41Å; D229-Q231 VanDerWaalsContact O-N 3.15Å; D229-Q231 WeakPolarHBondContact OD2-CG 3.36Å; D229-Q231 PolarHBondContact OD2-NE2 3.47Å; Q231-R233 PolarHBondContact O-N 3.25Å
232W39.4Very low47.6Very low227 Ų227147.2 Ų147.286%0.8676%0.764SS**  trans-6581.2162.4-175.1-95000108.2F230 E234F230-W232 PolarHBondContact O-N 3.35Å; W232-E234 PolarHBondContact O-N 3.23Å; W232-E234 VanDerWaalsContact O-N 3.11Å
233R47.3Very low47.7Very low213 Ų213147.3 Ų147.380%0.80477%0.769SS**  trans-76.397.9165.3-156-159.8-75.4-108.16.6106.3Q231 K235Q231-R233 PolarHBondContact O-N 3.25Å; R233-K235 PolarHBondContact O-N 3.5Å
234E49.6Very low47.7Very low160 Ų160145 Ų14575%0.74877%0.77SS**  trans-52.399.5169.5-162.8172-164.900108.5W232 T236W232-E234 PolarHBondContact O-N 3.23Å; W232-E234 VanDerWaalsContact O-N 3.11Å; E234-T236 PolarHBondContact O-N 3.02Å
235K39.8Very low47.9Very low197 Ų197143.6 Ų143.686%0.85777%0.768SS**  trans-85.997.5-179.3-160165.2-174.5177.40107.4R233R233-K235 PolarHBondContact O-N 3.5Å
236T45.5Very low48Very low117 Ų117143.1 Ų143.172%0.71877%0.773SS**  trans-44.3134.3168.3-48.90000110.3E234 E238E234-T236 PolarHBondContact O-N 3.02Å; T236-E238 PolarHBondContact O-N 3.3Å
237P48.6Very low48.1Very low119 Ų119148.9 Ų148.977%0.77378%0.781SS**PPolyproline II helixtrans-63.8123.6174.6-16.629.3000109.8
238E48.3Very low48.4Very low178 Ų178144.6 Ų144.683%0.83277%0.768SS**PPolyproline II helixtrans-71133.6173.2-155.1168.3-166.500108.9T236T236-E238 PolarHBondContact O-N 3.3Å
239P53.7Low48.9Very low108 Ų108147.1 Ų147.170%0.70178%0.776SS**PPolyproline II helixtrans-67.4145.2-178.5-4.816.5000110.9A241P239-A241 PolarHBondContact O-N 3.43Å
240P48.7Very low49.5Very low125 Ų125150.9 Ų150.981%0.81278%0.783SS**PPolyproline II helixtrans-63.9131.6174.925.6-31.4000110.3
241A51.3Low50.6Low85 Ų85147.1 Ų147.170%0.70278%0.784SS**PPolyproline II helixtrans-60.2143.6172.700000110.6P239 C243P239-A241 PolarHBondContact O-N 3.43Å; A241-C243 PolarHBondContact O-N 2.95Å
242P45.9Very low51.4Low128 Ų128146.2 Ų146.283%0.83179%0.788SS**PPolyproline II helixtrans-60.5127.4175.9-18.830.2000110.8A244P242-A244 PolarHBondContact O-N 3.37Å; P242-A244 VanDerWaalsContact O-N 3.16Å
243C45.1Very low52.5Low127 Ų127141.7 Ų141.786%0.85878%0.78SS**PPolyproline II helixtrans-56117.4173.2-58.10000110A241A241-C243 PolarHBondContact O-N 2.95Å
244A52.2Low53.4Low88 Ų88137.2 Ų137.273%0.72778%0.776SS**PPolyproline II helixtrans-70.8136.5160.300000108.1P242 E246P242-A244 PolarHBondContact O-N 3.37Å; P242-A244 VanDerWaalsContact O-N 3.16Å; A244-E246 PolarHBondContact O-N 3.45Å; A244-E246 VanDerWaalsContact O-N 3.09Å
245P51.3Low53.8Low120 Ų120137.9 Ų137.978%0.77978%0.777SS**  trans-69.3110.4176.727.4-30.8000108.7Q247P245-Q247 PolarHBondContact O-N 2.98Å; P245-Q247 VanDerWaalsContact O-N 3.16Å
246E49.6Very low54.3Low187 Ų187134.3 Ų134.387%0.87477%0.774SS**  trans-59.5116.6162.7-109.5176.915500107.5A244 T248A244-E246 PolarHBondContact O-N 3.45Å; A244-E246 VanDerWaalsContact O-N 3.09Å; E246-T248 PolarHBondContact O-N 3.01Å
247Q53.4Low54.4Low191 Ų191132.3 Ų132.389%0.89378%0.776SS**  trans-60106.5173.2-77.1179.4-500108.4P245 E249P245-Q247 PolarHBondContact O-N 2.98Å; P245-Q247 VanDerWaalsContact O-N 3.16Å; Q247-E249 PolarHBondContact O-N 3.07Å
248T55.9Low54.5Low98 Ų98137.8 Ų137.860%0.60178%0.781SS**  trans-67.8100.6166.149.40000108E246 Y250E246-T248 PolarHBondContact O-N 3.01Å; T248-Y250 VanDerWaalsContact O-CD2 3.3Å; T248-Y250 WeakPolarHBondContact O-CD2 3.33Å; T248-Y250 WeakPolarHBondContact O-CE2 3.43Å; T248-Y250 PolarHBondContact O-N 3.29Å; T248-Y250 WeakPolarHBondContact OG1-CE2 3.42Å; T248-Y250 PolarHBondContact OG1-OH 2.78Å
249E62.9Low54.4Low190 Ų190134.9 Ų134.989%0.88878%0.778SS**  trans-74.8112.6168.8-171.8176.4177.400108.5Q247Q247-E249 PolarHBondContact O-N 3.07Å
250Y59Low53.9Low194 Ų194134.4 Ų134.476%0.76178%0.783SS**  trans-85116.4176.3-62.7-90.7000109.2T248T248-Y250 VanDerWaalsContact O-CD2 3.3Å; T248-Y250 WeakPolarHBondContact O-CD2 3.33Å; T248-Y250 WeakPolarHBondContact O-CE2 3.43Å; T248-Y250 PolarHBondContact O-N 3.29Å; T248-Y250 WeakPolarHBondContact OG1-CE2 3.42Å; T248-Y250 PolarHBondContact OG1-OH 2.78Å
251A68.4Low53.7Low93 Ų93133.8 Ų133.877%0.76978%0.781SS**  trans-85.1115.816800000110.1I253A251-I253 PolarHBondContact O-N 3.05Å
252T63.5Low53.4Low125 Ų125136.1 Ų136.177%0.76779%0.79SS**  trans-78.3112.2172-61.20000109.5V254T252-V254 HydrophobicContact CG2-CG2 4.23Å; T252-V254 PolarHBondContact O-N 3Å
253I63.3Low53Low132 Ų132133.6 Ų133.668%0.67779%0.787SS**  trans-80.1106.8174.3-56.3173.7000108.4A251 F255A251-I253 PolarHBondContact O-N 3.05Å; I253-F255 HydrophobicContact CG2-CE1 4.21Å; I253-F255 HydrophobicContact CG2-CE2 4.18Å; I253-F255 HydrophobicContact CG2-CZ 3.98Å
254V66.2Low52.6Low120 Ų120139.2 Ų139.273%0.72779%0.79SS**  trans-90.1113.4170.9-176.50000108.3T252T252-V254 HydrophobicContact CG2-CG2 4.23Å; T252-V254 PolarHBondContact O-N 3Å
255F56.3Low52Low174 Ų174146 Ų14676%0.76380%0.797SS**PPolyproline II helixtrans-75.3125.6171.2-63.9-81.3000109.3I253 G257I253-F255 HydrophobicContact CG2-CE1 4.21Å; I253-F255 HydrophobicContact CG2-CE2 4.18Å; I253-F255 HydrophobicContact CG2-CZ 3.98Å; F255-G257 PolarHBondContact O-N 3.03Å
256P51.7Low51.1Low122 Ų122145.2 Ų145.279%0.79280%0.8SS**PPolyproline II helixtrans-64.1121.717025.2-30.2000108.3R258P256-R258 PolarHBondContact O-N 3.29Å
257G46.8Very low50.7Low74 Ų74141.6 Ų141.676%0.76380%0.795SS**PPolyproline II helixtrans-55.7123.4175.200000109.9F255F255-G257 PolarHBondContact O-N 3.03Å
258R51.2Low49.8Very low234 Ų234137.4 Ų137.488%0.88379%0.793SS**PPolyproline II helixtrans-57.2135.7170.7178179.1-102.1-126.4-1108.3P256 A260P256-R258 PolarHBondContact O-N 3.29Å; R258-A260 PolarHBondContact O-N 3.19Å
259P46.3Very low49Very low118 Ų118138 Ų13877%0.76680%0.802SS**PPolyproline II helixtrans-57.811617520.7-30.4000109.5S261P259-S261 PolarHBondContact O-N 3.28Å
260A43.3Very low47.6Very low98 Ų98134.6 Ų134.681%0.8180%0.799SS**PPolyproline II helixtrans-63.2121.7177.800000109.3R258R258-A260 PolarHBondContact O-N 3.19Å
261S44.1Very low46.7Very low111 Ų111133.4 Ų133.478%0.77681%0.805SS**PPolyproline II helixtrans-68.2142161.8-59.70000108.9P259P259-S261 PolarHBondContact O-N 3.28Å
262P44.2Very low45.1Very low135 Ų135138.5 Ų138.588%0.87781%0.813SS**SBendtrans-78130.8-165.129.7-32.5000111.6
263G37.8Very low43.7Very low75 Ų75136 Ų13677%0.77381%0.812SS**  trans131.393.9153.300000115.3
264R37.4Very low42.3Very low245 Ų245135 Ų13593%0.92582%0.823SS**  -175.6115.1112.5-171.1170.3-81.4-145.6-2.1108.8
265R38.8Very low40.6Very low231 Ų231138.1 Ų138.187%0.87283%0.83SS**  trans-62.1126.1175.4178-176.6-68.4-134.7-2.1110.4
266A33.4Very low39.9Very low103 Ų103135.2 Ų135.285%0.85183%0.829SS**  trans-147.3116.6149.600000108.1
267S39.8Very low40.2Very low110 Ų110135.3 Ų135.377%0.76983%0.829SS**  trans-77.7143.1-173.1-49.50000112.1
268A35.1Very low39.4Very low103 Ų103137.4 Ų137.485%0.85183%0.832SS**  trans-160.8104.4138.600000109.2
269S39.1Very low39.3Very low111 Ų111131 Ų13178%0.77682%0.821SS**  trans-71.1136.4165.241.40000110.7
270S33.3Very low38.9Very low119 Ų119133.5 Ų133.583%0.83282%0.822SS**  165.3124.1113.6-80.50000112.2
271L41.1Very low38.6Very low169 Ų169136 Ų13689%0.88582%0.822SS**  trans-81.8136.5163.4-95.1116000109.7
272Q34.9Very low38.1Very low199 Ų199134.1 Ų134.193%0.9382%0.82SS**  trans-161.4127.7135.4-139.8124.950.900110
273G33.6Very low38.1Very low73 Ų73134 Ų13475%0.75382%0.82SS**  trans-92.6172.7176.900000113.8
274A33.7Very low37.8Very low110 Ų110133.8 Ų133.891%0.90982%0.817SS**  trans143.1122.3144.600000112.5
275Q31.1Very low37.7Very low186 Ų186130.2 Ų130.287%0.86982%0.815SS**  trans-62.8-178.8174.8-169.6162.6-50.400113
276P41.4Very low37.6Very low114 Ų114130.7 Ų130.774%0.7482%0.817SS**  cis-128.8-170.4-1623.9000115.8
277P57.3Low38.9Very low123 Ų123131.1 Ų131.180%0.79981%0.811SS**  trans-100.4167.5-163.740.6-33.8000115.5
278S31.1Very low38.9Very low118 Ų118137.6 Ų137.683%0.82584%0.836SS**  trans-175.2169.2151.1-124.90000112.2
279P49.4Very low39.1Very low100 Ų100139.3 Ų139.365%0.64984%0.835SS**  -125.5-168.6-12426.80.5000112.9
280E37.3Very low39.1Very low171 Ų171140.8 Ų140.880%0.79984%0.838SS**  trans77.9134.7165.4-52.6-169.212700114
281D37.2Very low39.4Very low151 Ų151142 Ų14281%0.80784%0.839SS**  cis-154.4156.221.1-90.4-48.7000109.8
282G33.6Very low39.3Very low71 Ų71140.4 Ų140.473%0.73284%0.836SS**  trans-73.8-143.5177.700000114.5
283P44.7Very low39.6Very low133 Ų133136.8 Ų136.886%0.86483%0.83SS**  cis-132.1175.3-27.439-22.9000113.4
284G30.6Very low40Very low69 Ų69141 Ų14171%0.71184%0.835SS**  trans87.6154161.800000114.7
285L34.7Very low40.4Very low171 Ų171143.2 Ų143.290%0.89583%0.83SS**  cis-164.9146.55.7-101135.7000105.2
286W37.6Very low41.1Very low240 Ų240139.9 Ų139.991%0.90983%0.827SS**  trans-54.9159.1166.1-57.195.8000111.2
287P59.5Low41.1Very low113 Ų113142.1 Ų142.173%0.73483%0.834SS**  -151.916181.935.7-14.7000118.1
288L40.3Very low39.6Very low245 Ų245143.8 Ų143.8100%1.28384%0.837SS**  trans72.80157.7-65.8165.6000119.7

Retrieved 288 of 288 residues in 491.8 ms (Link to these results)