A0A087WSA1_MOUSE Loading...

Adhesion G protein-coupled receptor B1

AlphaFold DB , UniProt , Accession A0A087WSA1, Species MOUSE (Mus musculus, Mouse), Gene Adgrb1, Length 398 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 low50.1Low247 Ų247132.2 Ų132.2100%1.21780%0.799SS**  0118.30-64.3166-179.100107.8
2R39.3Very low50.7Low257 Ų257138.3 Ų138.397%0.9780%0.797SS**  trans-108.3110.6173-92.1-179.2168.1160.8-4.1107.7
3G40.6Very low51.3Low81 Ų81137.2 Ų137.284%0.83579%0.785SS**PPolyproline II helixtrans-80.6127.2173.500000110.4
4Q50.2Low52Low200 Ų200135.3 Ų135.394%0.93577%0.77SS**PPolyproline II helixtrans-82.4123.7166.6-70.6172.3-28.300108.4
5A50Low53.1Low103 Ų103130.5 Ų130.585%0.85175%0.753SS**PPolyproline II helixtrans-86.4125.9168.100000108.9
6A52.8Low54.3Low99 Ų99127.1 Ų127.182%0.81874%0.737SS**PPolyproline II helixtrans-70.5142.2-176.700000112
7A56.1Low55.3Low91 Ų91125.3 Ų125.375%0.75272%0.723SS**PPolyproline II helixtrans-68.9140.5171.200000110.6G9A7-G9 PolarHBondContact O-N 3.46Å
8P51.2Low56.2Low108 Ų108124.5 Ų124.570%0.70172%0.716SS**PPolyproline II helixtrans-67.7131.7178.227.7-33.6000111
9G59.6Low57.1Low39 Ų39123.6 Ų123.640%0.40271%0.708SS.*PPolyproline II helixtrans-69166.4-177.900000114.4A7 I11 W12A7-G9 PolarHBondContact O-N 3.46Å; G9-I11 PolarHBondContact O-N 3.46Å; G9-W12 PolarHBondContact O-N 3.4Å
10P55.8Low57.9Low95 Ų95122.4 Ų122.462%0.61770%0.698SS**THydrogen-bonded Turntrans-61.8-14.1-168.724.8-35.6000115.3W12 I13 L14P10-W12 PolarHBondContact O-N 3.45Å; P10-I13 PolarHBondContact O-N 2.93Å; P10-L14 PolarHBondContact O-N 3.46Å
11I56Low58.7Low134 Ų134121.5 Ų121.569%0.68769%0.691SS**Hα-helixtrans-58-35.3178.2-58.8171.9000111.6G9 I13 L14 A15G9-I11 PolarHBondContact O-N 3.46Å; I11-I13 VanDerWaalsContact C-N 3.26Å; I11-I13 PolarHBondContact O-N 3.38Å; I11-L14 PolarHBondContact O-N 3.3Å; I11-A15 PolarHBondContact O-N 3.3Å
12W56.6Low60.2Low206 Ų206114.6 Ų114.678%0.7866%0.658SS**Hα-helixtrans-68.2-20.7-179.4-77.984.1000114.3G9 P10 P16G9-W12 PolarHBondContact O-N 3.4Å; P10-W12 PolarHBondContact O-N 3.45Å; W12-P16 VanDerWaalsContact O-CD 3.25Å; W12-P16 WeakPolarHBondContact O-CD 3.43Å
13I59.1Low61.6Low124 Ų124106.5 Ų106.564%0.63663%0.634SS**Hα-helixtrans-95.2-34.6179.7-56.5175.1000110.6P10 I11 P16 L17P10-I13 PolarHBondContact O-N 2.93Å; I11-I13 VanDerWaalsContact C-N 3.26Å; I11-I13 PolarHBondContact O-N 3.38Å; I13-P16 WeakPolarHBondContact O-CD 3.36Å; I13-P16 WeakPolarHBondContact O-CG 3.32Å; I13-L17 PolarHBondContact O-N 3.28Å
14L61.5Low62.9Low110 Ų110107.5 Ų107.558%0.57662%0.62SS**Hα-helixtrans-70.3-35.3-178.5-67.3171000113P10 I11 L17 L18P10-L14 PolarHBondContact O-N 3.46Å; I11-L14 PolarHBondContact O-N 3.3Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 PolarHBondContact O-N 2.93Å
15A68.4Low63.3Low63 Ų6399.1 Ų99.152%0.52159%0.586SS.*Hα-helixtrans-60.3-52.7179.100000114.3I11 L17 L18 L19I11-A15 PolarHBondContact O-N 3.3Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 3.25Å; A15-L18 PolarHBondContact O-N 3.37Å; A15-L19 PolarHBondContact O-N 3.13Å
16P71.3Confident63.7Low76 Ų76103.1 Ų103.149%0.49458%0.58SS.*Hα-helixtrans-67.4-31.5176.425.8-34.4000112.8W12 I13 L19 L20W12-P16 VanDerWaalsContact O-CD 3.25Å; W12-P16 WeakPolarHBondContact O-CD 3.43Å; I13-P16 WeakPolarHBondContact O-CD 3.36Å; I13-P16 WeakPolarHBondContact O-CG 3.32Å; P16-L19 PolarHBondContact O-N 3.18Å; P16-L20 WeakPolarHBondContact O-CB 3.48Å; P16-L20 PolarHBondContact O-N 3.29Å
17L71.1Confident63.7Low97 Ų97108.2 Ų108.251%0.50858%0.578SS.*Hα-helixtrans-66.8-41.6176.5-154.798.2000111.7I13 L14 A15 L20 L21I13-L17 PolarHBondContact O-N 3.28Å; L14-L17 PolarHBondContact O-N 2.92Å; A15-L17 VanDerWaalsContact C-N 3.32Å; A15-L17 PolarHBondContact O-N 3.25Å; L17-L20 PolarHBondContact O-N 3.48Å; L17-L21 HydrophobicContact CD2-CD1 4.4Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 3.27Å
18L71.9Confident63.3Low111 Ų111106.6 Ų106.658%0.58156%0.564SS**Hα-helixtrans-64.9-40174.6-166.576.4000111.4L14 A15 L21 L22L14-L18 WeakPolarHBondContact O-CB 3.25Å; L14-L18 PolarHBondContact O-N 2.93Å; A15-L18 PolarHBondContact O-N 3.37Å; L18-L21 PolarHBondContact O-N 3.09Å; L18-L22 HydrophobicContact CG-CD1 4.46Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.93Å
19L73.1Confident63Low108 Ų108110.5 Ų110.557%0.56557%0.565SS**Hα-helixtrans-63.8-42175.5-163.276.1000111.6A15 P16 L22 L23A15-L19 PolarHBondContact O-N 3.13Å; P16-L19 PolarHBondContact O-N 3.18Å; L19-L22 PolarHBondContact O-N 3.04Å; L19-L23 HydrophobicContact CG-CD1 4.42Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 3.49Å
20L74.4Confident62.4Low99 Ų99112.8 Ų112.852%0.51858%0.58SS.*Hα-helixtrans-64-42.3175.5-171.768.5000111.7P16 L17 L22 L23 L24P16-L20 WeakPolarHBondContact O-CB 3.48Å; P16-L20 PolarHBondContact O-N 3.29Å; L17-L20 PolarHBondContact O-N 3.48Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 3.3Å; L20-L23 PolarHBondContact O-N 3.37Å; L20-L24 HydrophobicContact CG-CD1 4.04Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.42Å
21L73.7Confident62.1Low103 Ų103112.7 Ų112.754%0.53959%0.587SS.*Hα-helixtrans-64-36.6174.4-74.6166.3000112.5L17 L18 G25L17-L21 HydrophobicContact CD2-CD1 4.4Å; L17-L21 WeakPolarHBondContact O-CB 3.47Å; L17-L21 WeakPolarHBondContact O-CG 3.34Å; L17-L21 PolarHBondContact O-N 3.27Å; L18-L21 PolarHBondContact O-N 3.09Å; L21-G25 PolarHBondContact O-N 2.9Å
22L72.5Confident61.8Low102 Ų102111.1 Ų111.153%0.53459%0.588SS.*Hα-helixtrans-68.9-36.5173.6-73.9168.1000112.5L18 L19 L20 R26L18-L22 HydrophobicContact CG-CD1 4.46Å; L18-L22 WeakPolarHBondContact O-CB 3.48Å; L18-L22 VanDerWaalsContact O-CG 3.3Å; L18-L22 WeakPolarHBondContact O-CG 3.4Å; L18-L22 PolarHBondContact O-N 2.93Å; L19-L22 PolarHBondContact O-N 3.04Å; L20-L22 VanDerWaalsContact C-N 3.34Å; L20-L22 PolarHBondContact O-N 3.3Å; L22-R26 WeakPolarHBondContact O-CG 3.3Å; L22-R26 PolarHBondContact O-N 2.91Å
23L68.5Low60.8Low88 Ų88103.2 Ų103.246%0.46157%0.571SS.*Hα-helixtrans-70.1-44.8175.2-72.4166.1000111.6L19 L20 G25 R26 W27L19-L23 HydrophobicContact CG-CD1 4.42Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.34Å; L19-L23 PolarHBondContact O-N 3.49Å; L20-L23 PolarHBondContact O-N 3.37Å; L23-G25 VanDerWaalsContact C-N 3.34Å; L23-G25 PolarHBondContact O-N 3.06Å; L23-R26 WeakPolarHBondContact O-CB 3.35Å; L23-R26 PolarHBondContact O-N 3.37Å; L23-R26 VanDerWaalsContact O-N 3.13Å; L23-W27 PolarHBondContact O-N 3.13Å
24L66.5Low60.2Low102 Ų102102.1 Ų102.153%0.53458%0.58SS.*Hα-helixtrans-62.5-39.4172.7-72.2165.9000111.6L20 R26 W27 A28L20-L24 HydrophobicContact CG-CD1 4.04Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 WeakPolarHBondContact O-CG 3.4Å; L20-L24 PolarHBondContact O-N 3.42Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 2.82Å; L24-W27 PolarHBondContact O-N 2.83Å; L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 2.96Å
25G59.3Low58.8Low23 Ų23104.3 Ų104.324%0.23759%0.593CS.*Hα-helixtrans-70.7-15.3174.100000114.9L21 L23 R29L21-G25 PolarHBondContact O-N 2.9Å; L23-G25 VanDerWaalsContact C-N 3.34Å; L23-G25 PolarHBondContact O-N 3.06Å; G25-R29 WeakPolarHBondContact O-CG 3.5Å; G25-R29 PolarHBondContact O-NH1 3.34Å; G25-R29 VanDerWaalsContact O-NH1 3.14Å
26R58.7Low57.8Low188 Ų188109.3 Ų109.371%0.70961%0.609SS**Hα-helixtrans-85.7-39.6167-77.1176177.6-152.4-0.7111.5L22 L23 L24 R29 A30L22-R26 WeakPolarHBondContact O-CG 3.3Å; L22-R26 PolarHBondContact O-N 2.91Å; L23-R26 WeakPolarHBondContact O-CB 3.35Å; L23-R26 PolarHBondContact O-N 3.37Å; L23-R26 VanDerWaalsContact O-N 3.13Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 2.82Å; R26-R29 PolarHBondContact O-N 3.47Å; R26-A30 PolarHBondContact O-N 3.21Å; R26-A30 VanDerWaalsContact O-N 3.09Å
27W52.1Low56.1Low206 Ų206107.6 Ų107.678%0.7861%0.605SS**Hα-helixtrans-66.8-39.6174.5-86.254.4000112.8L23 L24 R29 A30 A31L23-W27 PolarHBondContact O-N 3.13Å; L24-W27 PolarHBondContact O-N 2.83Å; W27-R29 VanDerWaalsContact C-N 3.34Å; W27-R29 PolarHBondContact O-N 2.86Å; W27-A30 WeakPolarHBondContact O-CB 3Å; W27-A30 PolarHBondContact O-N 2.95Å; W27-A30 VanDerWaalsContact O-N 3.13Å; W27-A31 PolarHBondContact O-N 3.41Å
28A47Very low54.9Low56 Ų56109.6 Ų109.646%0.46362%0.624SS.*Hα-helixtrans-61.6-41.8173.300000111.6L24 A30 A31 S32L24-A28 WeakPolarHBondContact O-CB 3.4Å; L24-A28 PolarHBondContact O-N 2.96Å; A28-A30 VanDerWaalsContact C-N 3.27Å; A28-A30 PolarHBondContact O-N 2.97Å; A28-A31 PolarHBondContact O-N 3.16Å; A28-S32 PolarHBondContact O-N 3.26Å; A28-S32 PolarHBondContact O-OG 2.7Å
29R46.2Very low53.6Low190 Ų190106.9 Ų106.972%0.71762%0.622SS**Hα-helixtrans-64.2-28.3173.7-79-176.417693.3-6.3113.5G25 R26 W27 A31G25-R29 WeakPolarHBondContact O-CG 3.5Å; G25-R29 PolarHBondContact O-NH1 3.34Å; G25-R29 VanDerWaalsContact O-NH1 3.14Å; R26-R29 PolarHBondContact O-N 3.47Å; W27-R29 VanDerWaalsContact C-N 3.34Å; W27-R29 PolarHBondContact O-N 2.86Å; R29-A31 VanDerWaalsContact C-N 3.32Å
30A46.2Very low52.8Low87 Ų87104.7 Ų104.772%0.71961%0.614SS**Hα-helixtrans-77.1-14.7173.300000113.8R26 W27 A28R26-A30 PolarHBondContact O-N 3.21Å; R26-A30 VanDerWaalsContact O-N 3.09Å; W27-A30 WeakPolarHBondContact O-CB 3Å; W27-A30 PolarHBondContact O-N 2.95Å; W27-A30 VanDerWaalsContact O-N 3.13Å; A28-A30 VanDerWaalsContact C-N 3.27Å; A28-A30 PolarHBondContact O-N 2.97Å
31A49.1Very low52.3Low93 Ų93105.7 Ų105.777%0.76962%0.616SS**Hα-helixtrans-102-20.9178.800000113.2W27 A28 R29W27-A31 PolarHBondContact O-N 3.41Å; A28-A31 PolarHBondContact O-N 3.16Å; R29-A31 VanDerWaalsContact C-N 3.32Å
32S50.3Low52.2Low101 Ų101107.3 Ų107.371%0.70662%0.62SS**SBendtrans-11954.4175.767.60000111.4A28A28-S32 PolarHBondContact O-N 3.26Å; A28-S32 PolarHBondContact O-OG 2.7Å
33G36.7Very low52.5Low41 Ų41104.1 Ų104.142%0.42361%0.606SS.*  trans-140.78617700000109.7D35G33-D35 PolarHBondContact O-N 2.9Å
34A44.7Very low53.2Low101 Ų101105.3 Ų105.384%0.83562%0.618SS**  trans-70.280.8152.100000106I36A34-I36 VanDerWaalsContact C-N 3.28Å; A34-I36 PolarHBondContact O-N 3.08Å
35D34Very low54.1Low156 Ų156103.1 Ų103.183%0.83461%0.609SS**  trans-65.791.1179-95.8-28.8000108.8G33 G37G33-D35 PolarHBondContact O-N 2.9Å; D35-G37 PolarHBondContact O-N 2.83Å
36I45.5Very low55.2Low167 Ų167107.2 Ų107.286%0.85662%0.624SS**  trans-71.565.4154.9-51.3176.9000106.8A34A34-I36 VanDerWaalsContact C-N 3.28Å; A34-I36 PolarHBondContact O-N 3.08Å
37G37.5Very low56.4Low41 Ų4199 Ų9942%0.42360%0.595SS.*  trans-65.6157.2154.500000108.6D35 G39D35-G37 PolarHBondContact O-N 2.83Å; G37-G39 PolarHBondContact O-N 3.01Å
38P45.2Very low58Low139 Ų13994.2 Ų94.290%0.90358%0.581SS**  trans-73.561.5173.932.5-35.5000110.3T40P38-T40 PolarHBondContact O-N 2.77Å
39G44.7Very low59.2Low53 Ų5394.1 Ų94.155%0.54659%0.586SS.*  trans-61.5126.2169.500000108.4G37 E41G37-G39 PolarHBondContact O-N 3.01Å; G39-E41 VanDerWaalsContact C-N 3.29Å; G39-E41 WeakPolarHBondContact O-CG 3.26Å; G39-E41 PolarHBondContact O-N 2.72Å
40T57Low60.6Low62 Ų6291.4 Ų91.438%0.3858%0.579SS.*  trans-56.687.7173.943.50000111.2P38 Q42 S66 R67P38-T40 PolarHBondContact O-N 2.77Å; T40-Q42 PolarHBondContact O-N 2.84Å; T40-S66 WeakPolarHBondContact CB-OG 3.45Å; T40-R67 PolarHBondContact O-NH2 2.94Å; T40-R67 VanDerWaalsContact O-NH2 3.11Å; T40-R67 PolarHBondContact OG1-NH1 2.8Å; T40-R67 PolarHBondContact OG1-NH2 3.07Å
41E63.3Low62Low120 Ų12092 Ų9256%0.56157%0.566SS**  trans-60.8123.6-176.1-65.2-153.2150.300109.6G39 A65 S66 R67G39-E41 VanDerWaalsContact C-N 3.29Å; G39-E41 WeakPolarHBondContact O-CG 3.26Å; G39-E41 PolarHBondContact O-N 2.72Å; E41-A65 HydrophobicContact CB-CB 4.11Å; E41-S66 PolarHBondContact O-N 3.19Å; E41-R67 PolarHBondContact O-N 2.04Å
42Q70.4Confident63.8Low137 Ų13792 Ų9264%0.6455%0.549SS*.EExtended strand (participates in β ladder)trans-93.6130.8173.6-60-175.26.900107.2T40 R67T40-Q42 PolarHBondContact O-N 2.84Å; Q42-R67 WeakPolarHBondContact CA-O 3.04Å; Q42-R67 HydrophobicContact CG-CB 4.09Å; Q42-R67 VanDerWaalsContact NE2-NH2 3.11Å
43C79.2Confident65.1Low35 Ų3587.8 Ų87.824%0.23652%0.521CS..EExtended strand (participates in β ladder)trans-126.3141.5173.190.60000110.8V60 R67 C68 S69C43-V60 PolarHBondContact SG-O 3.05Å; C43-R67 PolarHBondContact N-O 3.3Å; C43-C68 HydrophobicContact CB-CB 4.3Å; C43-C68 WeakPolarHBondContact CB-SG 3.06Å; C43-C68 CarbonylContact O-C 3.58Å; C43-C68 VanDerWaalsContact O-CA 3.29Å; C43-C68 WeakPolarHBondContact O-CA 3.42Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C43-C68 CovalentContact SG-SG 2.03Å; C43-C68 PolarHBondContact SG-SG 3.32Å; C43-S69 PolarHBondContact O-N 3.14Å
44T83.9Confident67.4Low114 Ų11492.3 Ų92.370%0.69953%0.526SS*.EExtended strand (participates in β ladder)trans-137.2114.4-174.759.50000109.8S69T44-S69 CarbonylContact C-O 3.59Å; T44-S69 WeakPolarHBondContact CA-O 3.35Å
45T84.2Confident69.2Low56 Ų5688.3 Ų88.334%0.34449%0.49SS..EExtended strand (participates in β ladder)trans-109.1124175.6-59.90000109.8V47 S69 W70 T71T45-V47 HydrophobicContact CG2-CG2 4.43Å; T45-S69 PolarHBondContact N-O 3.11Å; T45-W70 CarbonylContact O-C 3.59Å; T45-W70 WeakPolarHBondContact O-CA 3.38Å; T45-T71 PolarHBondContact O-N 2.74Å
46L84.2Confident71.5Confident108 Ų10882.5 Ų82.557%0.56546%0.461SS*.EExtended strand (participates in β ladder)trans-111.6124.2172.6177.963.2000110.2T71 R73L46-T71 HydrophobicContact CD1-CG2 4.25Å; L46-R73 HydrophobicContact CD1-CB 4.38Å
47V83.8Confident73.1Confident17 Ų1774.6 Ų74.610%0.10342%0.421CS..EExtended strand (participates in β ladder)trans-105.5117.8172.6-178.80000108.9T45 K50 W70 T71 L72 R73 Y173T45-V47 HydrophobicContact CG2-CG2 4.43Å; V47-K50 HydrophobicContact CG1-CB 4.3Å; V47-K50 HydrophobicContact CG1-CD 4.47Å; V47-W70 HydrophobicContact CB-CZ2 4.48Å; V47-W70 HydrophobicContact CG2-CZ2 3.86Å; V47-T71 PolarHBondContact N-O 3.41Å; V47-L72 HydrophobicContact CB-CD1 3.88Å; V47-L72 HydrophobicContact CG1-CD1 3.58Å; V47-R73 PolarHBondContact O-N 3.47Å; V47-Y173 HydrophobicContact CG1-CE2 4.1Å; V47-Y173 VanDerWaalsContact CG1-OH 3.27Å; V47-Y173 WeakPolarHBondContact CG1-OH 3.37Å
48Q84.9Confident74.9Confident104 Ų10475.4 Ų75.449%0.48642%0.424SS..  trans-138.5149.6176.4179.7173.2-29.200109.8K50 R73Q48-K50 PolarHBondContact O-N 3.36Å; Q48-R73 HydrophobicContact CB-CB 4.34Å; Q48-R73 HydrophobicContact CG-CB 4.49Å
49G72.8Confident76.6Confident54 Ų5472.5 Ų72.556%0.55741%0.412SS*.SBendtrans740.6174.100000115.7
50K75.6Confident78.2Confident133 Ų13370.7 Ų70.758%0.57839%0.39SS*.  trans-99.2127.6174.9-65.5-172.1177.9-177.50110.5V47 Q48 Y173 V175V47-K50 HydrophobicContact CG1-CB 4.3Å; V47-K50 HydrophobicContact CG1-CD 4.47Å; Q48-K50 PolarHBondContact O-N 3.36Å; K50-Y173 HydrophobicContact CB-CE2 4.49Å; K50-V175 WeakPolarHBondContact O-CG2 3.4Å
51F76.2Confident79.2Confident100 Ų10068 Ų6844%0.43937%0.373SS..SBendtrans-87.4-13.8178.4-71.3-89.6000113.9P75 Y80 L174 V175F51-P75 HydrophobicContact CZ-CG 4.48Å; F51-Y80 HydrophobicContact CD1-CE1 4.45Å; F51-Y80 HydrophobicContact CE1-CD1 4.01Å; F51-Y80 AromaticContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE2 4.38Å; F51-Y80 AromaticContact CE1-CZ 3.83Å; F51-Y80 HydrophobicContact CZ-CE1 4.47Å; F51-L174 CarbonylContact O-C 3.55Å; F51-V175 HydrophobicContact CB-CB 4.34Å; F51-V175 HydrophobicContact CD1-CB 3.82Å; F51-V175 HydrophobicContact CD1-CG1 3.87Å; F51-V175 HydrophobicContact CE1-CG1 4.16Å; F51-V175 HydrophobicContact CG-CB 4.44Å; F51-V175 PolarHBondContact O-N 2.89Å
52F85Confident79.8Confident94 Ų9464.5 Ų64.541%0.41236%0.36SS..EExtended strand (participates in β ladder)trans-148.5151.4174167-105.2000109.1Y173 L174 M188F52-Y173 WeakPolarHBondContact CA-O 3.35Å; F52-Y173 VanDerWaalsContact CD2-O 3.23Å; F52-Y173 WeakPolarHBondContact CD2-O 3.43Å; F52-L174 HydrophobicContact CB-CD1 4.18Å; F52-L174 HydrophobicContact CD2-CD1 4.28Å; F52-M188 HydrophobicContact CD2-CE 3.74Å; F52-M188 HydrophobicContact CD2-SD 4.08Å; F52-M188 HydrophobicContact CE2-CE 3.34Å; F52-M188 HydrophobicContact CE2-SD 4.26Å; F52-M188 HydrophobicContact CG-SD 4.48Å; F52-M188 HydrophobicContact CZ-CE 3.82Å
53G78.3Confident79.7Confident11 Ų1162.2 Ų62.211%0.11337%0.365CS..EExtended strand (participates in β ladder)trans-177.6-179.5163.500000113.8E172 Y173G53-E172 WeakPolarHBondContact O-CA 2.97Å; G53-Y173 VanDerWaalsContact C-CE1 3.43Å; G53-Y173 VanDerWaalsContact CA-CZ 3.46Å; G53-Y173 PolarHBondContact N-O 3.44Å; G53-Y173 WeakPolarHBondContact O-CD1 3.23Å; G53-Y173 PolarHBondContact O-N 3.27Å
54Y85.9Confident79.2Confident137 Ų13766 Ų6654%0.53738%0.383SS..EExtended strand (participates in β ladder)trans-139147.9-175.7169.5-99.4000110.2S170 V171 E172Y54-S170 WeakPolarHBondContact OH-CB 3.48Å; Y54-V171 CarbonylContact C-O 3.55Å; Y54-V171 VanDerWaalsContact CA-O 3.27Å; Y54-V171 WeakPolarHBondContact CA-O 3.02Å; Y54-V171 WeakPolarHBondContact CD2-O 3.22Å; Y54-E172 HydrophobicContact CD2-CG 3.74Å
55F80.9Confident78.6Confident16 Ų1660.8 Ų60.87%0.0735%0.351CS..EExtended strand (participates in β ladder)trans-147149.2162.370.4-91.1000111.6V60 F61 W70 M145 F169 S170 V171F55-V60 HydrophobicContact CB-CG2 3.79Å; F55-V60 HydrophobicContact CD2-CB 3.99Å; F55-V60 HydrophobicContact CD2-CG1 4.46Å; F55-V60 HydrophobicContact CD2-CG2 3.54Å; F55-V60 HydrophobicContact CE2-CB 4.37Å; F55-V60 HydrophobicContact CE2-CG1 4.46Å; F55-V60 HydrophobicContact CE2-CG2 4.31Å; F55-V60 HydrophobicContact CG-CG2 3.84Å; F55-F61 HydrophobicContact CE2-CE2 4.09Å; F55-W70 HydrophobicContact CD1-CD2 4.46Å; F55-W70 AromaticContact CD1-CE2 3.73Å; F55-W70 HydrophobicContact CD1-CH2 4.3Å; F55-W70 AromaticContact CD1-CZ2 3.65Å; F55-W70 HydrophobicContact CD1-CZ2 3.65Å; F55-W70 AromaticContact CD1-NE1 3.87Å; F55-W70 AromaticContact CE1-CD2 3.77Å; F55-W70 HydrophobicContact CE1-CD2 3.77Å; F55-W70 AromaticContact CE1-CE2 3.4Å; F55-W70 HydrophobicContact CE1-CE3 4.01Å; F55-W70 HydrophobicContact CE1-CG 4.49Å; F55-W70 AromaticContact CE1-CH2 3.56Å; F55-W70 HydrophobicContact CE1-CH2 3.56Å; F55-W70 AromaticContact CE1-CZ2 3.31Å; F55-W70 HydrophobicContact CE1-CZ2 3.31Å; F55-W70 AromaticContact CE1-CZ3 3.92Å; F55-W70 HydrophobicContact CE1-CZ3 3.92Å; F55-W70 AromaticContact CE1-NE1 3.94Å; F55-W70 AromaticContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CE3 4.14Å; F55-W70 HydrophobicContact CZ-CG 4.44Å; F55-W70 HydrophobicContact CZ-CH2 4.43Å; F55-W70 HydrophobicContact CZ-CZ2 4.32Å; F55-W70 HydrophobicContact CZ-CZ3 4.36Å; F55-M145 HydrophobicContact CZ-SD 3.98Å; F55-F169 HydrophobicContact CE2-CE2 4.35Å; F55-S170 WeakPolarHBondContact O-CA 3.5Å; F55-V171 HydrophobicContact CD1-CB 3.92Å; F55-V171 HydrophobicContact CD1-CG1 4.33Å; F55-V171 HydrophobicContact CD2-CB 4.48Å; F55-V171 HydrophobicContact CE1-CB 3.47Å; F55-V171 VanDerWaalsContact CE1-CB 3.47Å; F55-V171 HydrophobicContact CE1-CG1 3.63Å; F55-V171 HydrophobicContact CE1-CG2 3.96Å; F55-V171 HydrophobicContact CE2-CB 4.09Å; F55-V171 HydrophobicContact CE2-CG2 3.83Å; F55-V171 HydrophobicContact CG-CB 4.41Å; F55-V171 HydrophobicContact CZ-CB 3.58Å; F55-V171 HydrophobicContact CZ-CG1 3.99Å; F55-V171 HydrophobicContact CZ-CG2 3.5Å; F55-V171 VanDerWaalsContact CZ-CG2 3.5Å; F55-V171 PolarHBondContact N-O 2.87Å; F55-V171 PolarHBondContact O-N 3.09Å
56S83.2Confident77.8Confident34 Ų3458.7 Ų58.724%0.23834%0.339CS..EExtended strand (participates in β ladder)trans-93.2146.2162.257.10000109.5A58 A59S56-A58 VanDerWaalsContact C-N 3.32Å; S56-A58 PolarHBondContact O-N 3.1Å; S56-A59 PolarHBondContact O-N 3.34Å; S56-A59 VanDerWaalsContact O-N 3.1Å
57A79.2Confident77.4Confident1 Ų158 Ų581%0.00833%0.329CS..Hα-helixtrans-65.3-33.6-177.900000113A59 V60 F61 D167 F169A57-A59 PolarHBondContact O-N 3.14Å; A57-A59 VanDerWaalsContact O-N 3.15Å; A57-V60 PolarHBondContact O-N 3.19Å; A57-F61 HydrophobicContact CB-CD2 4.05Å; A57-F61 WeakPolarHBondContact O-CA 3.37Å; A57-F61 WeakPolarHBondContact O-CB 3.41Å; A57-F61 PolarHBondContact O-N 3.37Å; A57-D167 WeakPolarHBondContact CB-O 3.38Å; A57-F169 HydrophobicContact CB-CD1 3.49Å; A57-F169 VanDerWaalsContact CB-CD1 3.49Å; A57-F169 HydrophobicContact CB-CD2 4.06Å; A57-F169 HydrophobicContact CB-CE1 3.28Å; A57-F169 HydrophobicContact CB-CE2 3.88Å; A57-F169 HydrophobicContact CB-CG 3.88Å; A57-F169 HydrophobicContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-O 3.31Å; A57-F169 WeakPolarHBondContact CB-O 3.32Å; A57-F169 PolarHBondContact N-O 3.29Å
58A76.2Confident77.1Confident59 Ų5957.1 Ų57.149%0.48832%0.324SS..Hα-helixtrans-56.6-28.5171.700000114.2S56S56-A58 VanDerWaalsContact C-N 3.32Å; S56-A58 PolarHBondContact O-N 3.1Å
59A79.9Confident77Confident78 Ų7852.9 Ų52.965%0.64531%0.306SS*.Hα-helixtrans-84.3-17.4178.500000114S56 A57S56-A59 PolarHBondContact O-N 3.34Å; S56-A59 VanDerWaalsContact O-N 3.1Å; A57-A59 PolarHBondContact O-N 3.14Å; A57-A59 VanDerWaalsContact O-N 3.15Å
60V78.1Confident77.7Confident14 Ų1450.6 Ų50.69%0.08528%0.28CS..Hα-helixtrans-115.8-27-172.41740000112.6C43 F55 A57 P62 W70C43-V60 PolarHBondContact SG-O 3.05Å; F55-V60 HydrophobicContact CB-CG2 3.79Å; F55-V60 HydrophobicContact CD2-CB 3.99Å; F55-V60 HydrophobicContact CD2-CG1 4.46Å; F55-V60 HydrophobicContact CD2-CG2 3.54Å; F55-V60 HydrophobicContact CE2-CB 4.37Å; F55-V60 HydrophobicContact CE2-CG1 4.46Å; F55-V60 HydrophobicContact CE2-CG2 4.31Å; F55-V60 HydrophobicContact CG-CG2 3.84Å; A57-V60 PolarHBondContact O-N 3.19Å; V60-P62 VanDerWaalsContact C-CD 3.47Å; V60-P62 WeakPolarHBondContact O-CD 3.46Å; V60-W70 HydrophobicContact CG1-CB 3.55Å; V60-W70 VanDerWaalsContact CG1-CD1 3.48Å; V60-W70 HydrophobicContact CG1-CG 3.76Å
61F78.3Confident78Confident6 Ų645.3 Ų45.33%0.02626%0.259CS..SBendtrans-126.565-178.8-56.2-72.7000109.3F55 A57 C68 W70 V99 M145 R147 F169F55-F61 HydrophobicContact CE2-CE2 4.09Å; A57-F61 HydrophobicContact CB-CD2 4.05Å; A57-F61 WeakPolarHBondContact O-CA 3.37Å; A57-F61 WeakPolarHBondContact O-CB 3.41Å; A57-F61 PolarHBondContact O-N 3.37Å; F61-C68 HydrophobicContact CD1-CB 3.64Å; F61-C68 HydrophobicContact CE1-CB 4.3Å; F61-W70 HydrophobicContact CE1-CB 4.37Å; F61-W70 HydrophobicContact CZ-CB 3.81Å; F61-V99 HydrophobicContact CB-CG2 4.22Å; F61-V99 HydrophobicContact CD1-CG2 4.4Å; F61-V99 HydrophobicContact CD2-CG1 4.46Å; F61-V99 HydrophobicContact CD2-CG2 4.19Å; F61-V99 HydrophobicContact CE1-CG1 4.42Å; F61-V99 HydrophobicContact CE2-CG1 4.21Å; F61-V99 HydrophobicContact CG-CG2 4.02Å; F61-V99 HydrophobicContact CZ-CG1 4.2Å; F61-M145 HydrophobicContact CE2-CB 4.5Å; F61-M145 HydrophobicContact CZ-CB 3.78Å; F61-R147 HydrophobicContact CD1-CB 3.94Å; F61-F169 HydrophobicContact CD2-CZ 4.22Å; F61-F169 HydrophobicContact CE2-CZ 4.04Å
62P74.8Confident78.4Confident46 Ų4640.7 Ų40.730%0.29924%0.239SC..  trans-64.3145.5-175.630.7-37.7000110.9V60 N64 A65 R147V60-P62 VanDerWaalsContact C-CD 3.47Å; V60-P62 WeakPolarHBondContact O-CD 3.46Å; P62-N64 WeakPolarHBondContact CB-OD1 3.08Å; P62-N64 PolarHBondContact O-N 3.07Å; P62-N64 VanDerWaalsContact O-N 3.12Å; P62-A65 HydrophobicContact CG-CB 4.07Å; P62-A65 PolarHBondContact O-N 3.36Å; P62-R147 PolarHBondContact O-NH1 3.36Å
63A68.4Low78.4Confident89 Ų8940.5 Ų40.574%0.73624%0.235SC*.THydrogen-bonded Turntrans-59.9-31.4-167.400000113.9A65 R147A63-A65 VanDerWaalsContact C-N 3.33Å; A63-A65 PolarHBondContact O-N 3.03Å; A63-R147 PolarHBondContact O-NH1 2.94Å
64N69.9Low78.6Confident116 Ų11640 Ų4062%0.6223%0.23SC*.THydrogen-bonded Turntrans-71.2-18.8178.564.9-26.5000114.5P62P62-N64 WeakPolarHBondContact CB-OD1 3.08Å; P62-N64 PolarHBondContact O-N 3.07Å; P62-N64 VanDerWaalsContact O-N 3.12Å
65A70.9Confident78.5Confident3 Ų336.3 Ų36.33%0.02522%0.223CC..  trans-104.7128.4-176.900000111.3E41 P62 A63 C68 R147E41-A65 HydrophobicContact CB-CB 4.11Å; P62-A65 HydrophobicContact CG-CB 4.07Å; P62-A65 PolarHBondContact O-N 3.36Å; A63-A65 VanDerWaalsContact C-N 3.33Å; A63-A65 PolarHBondContact O-N 3.03Å; A65-C68 WeakPolarHBondContact CB-SG 3.39Å; A65-R147 PolarHBondContact O-NH1 3.47Å
66S68.4Low78.6Confident13 Ų1337.1 Ų37.19%0.09123%0.228CC..SBendtrans-99.4-17.2-171.564.40000115T40 E41 Q149T40-S66 WeakPolarHBondContact CB-OG 3.45Å; E41-S66 PolarHBondContact O-N 3.19Å; S66-Q149 VanDerWaalsContact CB-CD 3.45Å; S66-Q149 PolarHBondContact OG-OE1 3.09Å
67R74.1Confident78.6Confident92 Ų9236.9 Ų36.935%0.34723%0.226SC..EExtended strand (participates in β ladder)trans-128.861.1179-70-171.5-58.3-102.8-11.9110.4T40 E41 Q42 C43T40-R67 PolarHBondContact O-NH2 2.94Å; T40-R67 VanDerWaalsContact O-NH2 3.11Å; T40-R67 PolarHBondContact OG1-NH1 2.8Å; T40-R67 PolarHBondContact OG1-NH2 3.07Å; E41-R67 PolarHBondContact O-N 2.04Å; Q42-R67 WeakPolarHBondContact CA-O 3.04Å; Q42-R67 HydrophobicContact CG-CB 4.09Å; Q42-R67 VanDerWaalsContact NE2-NH2 3.11Å; C43-R67 PolarHBondContact N-O 3.3Å
68C78.7Confident78.6Confident0 Ų047.5 Ų47.50%027%0.266CS..EExtended strand (participates in β ladder)trans-88.6134.4174.5-83.50000111.4C43 F61 A65 Q146 R147C43-C68 HydrophobicContact CB-CB 4.3Å; C43-C68 WeakPolarHBondContact CB-SG 3.06Å; C43-C68 CarbonylContact O-C 3.58Å; C43-C68 VanDerWaalsContact O-CA 3.29Å; C43-C68 WeakPolarHBondContact O-CA 3.42Å; C43-C68 WeakPolarHBondContact SG-CB 3.42Å; C43-C68 CovalentContact SG-SG 2.03Å; C43-C68 PolarHBondContact SG-SG 3.32Å; F61-C68 HydrophobicContact CD1-CB 3.64Å; F61-C68 HydrophobicContact CE1-CB 4.3Å; A65-C68 WeakPolarHBondContact CB-SG 3.39Å; C68-Q146 CarbonylContact O-C 3.59Å; C68-Q146 WeakPolarHBondContact O-CA 3.37Å; C68-Q146 WeakPolarHBondContact O-CG 3.37Å; C68-R147 HydrophobicContact CB-CB 4.39Å; C68-R147 PolarHBondContact O-N 2.02Å
69S83.3Confident78.8Confident15 Ų1552.1 Ų52.111%0.10527%0.27CS..EExtended strand (participates in β ladder)trans-129.2143.1174.966.80000111.4C43 T44 T45 M145C43-S69 PolarHBondContact O-N 3.14Å; T44-S69 CarbonylContact C-O 3.59Å; T44-S69 WeakPolarHBondContact CA-O 3.35Å; T45-S69 PolarHBondContact N-O 3.11Å; S69-M145 CarbonylContact C-O 3.59Å; S69-M145 WeakPolarHBondContact CA-O 3.4Å
70W85.6Confident78.9Confident5 Ų551.2 Ų51.22%0.01925%0.251CS..EExtended strand (participates in β ladder)trans-128.7131.2175.7179.796.6000109T45 V47 F55 V60 F61 L72 M84 L143 Q144 M145 Y173T45-W70 CarbonylContact O-C 3.59Å; T45-W70 WeakPolarHBondContact O-CA 3.38Å; V47-W70 HydrophobicContact CB-CZ2 4.48Å; V47-W70 HydrophobicContact CG2-CZ2 3.86Å; F55-W70 HydrophobicContact CD1-CD2 4.46Å; F55-W70 AromaticContact CD1-CE2 3.73Å; F55-W70 HydrophobicContact CD1-CH2 4.3Å; F55-W70 AromaticContact CD1-CZ2 3.65Å; F55-W70 HydrophobicContact CD1-CZ2 3.65Å; F55-W70 AromaticContact CD1-NE1 3.87Å; F55-W70 AromaticContact CE1-CD2 3.77Å; F55-W70 HydrophobicContact CE1-CD2 3.77Å; F55-W70 AromaticContact CE1-CE2 3.4Å; F55-W70 HydrophobicContact CE1-CE3 4.01Å; F55-W70 HydrophobicContact CE1-CG 4.49Å; F55-W70 AromaticContact CE1-CH2 3.56Å; F55-W70 HydrophobicContact CE1-CH2 3.56Å; F55-W70 AromaticContact CE1-CZ2 3.31Å; F55-W70 HydrophobicContact CE1-CZ2 3.31Å; F55-W70 AromaticContact CE1-CZ3 3.92Å; F55-W70 HydrophobicContact CE1-CZ3 3.92Å; F55-W70 AromaticContact CE1-NE1 3.94Å; F55-W70 AromaticContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CD2 3.98Å; F55-W70 HydrophobicContact CZ-CE3 4.14Å; F55-W70 HydrophobicContact CZ-CG 4.44Å; F55-W70 HydrophobicContact CZ-CH2 4.43Å; F55-W70 HydrophobicContact CZ-CZ2 4.32Å; F55-W70 HydrophobicContact CZ-CZ3 4.36Å; V60-W70 HydrophobicContact CG1-CB 3.55Å; V60-W70 VanDerWaalsContact CG1-CD1 3.48Å; V60-W70 HydrophobicContact CG1-CG 3.76Å; F61-W70 HydrophobicContact CE1-CB 4.37Å; F61-W70 HydrophobicContact CZ-CB 3.81Å; W70-L72 HydrophobicContact CH2-CB 3.53Å; W70-L72 HydrophobicContact CH2-CD2 4.18Å; W70-L72 HydrophobicContact CH2-CG 4.37Å; W70-L72 HydrophobicContact CZ2-CB 4.25Å; W70-L72 HydrophobicContact CZ3-CB 3.77Å; W70-M84 HydrophobicContact CH2-CE 3.84Å; W70-M84 HydrophobicContact CZ3-CE 3.78Å; W70-L143 HydrophobicContact CZ3-CD2 4.03Å; W70-Q144 CarbonylContact O-C 3.59Å; W70-Q144 VanDerWaalsContact O-CA 3.3Å; W70-Q144 WeakPolarHBondContact O-CA 3.25Å; W70-Q144 WeakPolarHBondContact O-CG 3.21Å; W70-M145 HydrophobicContact CE3-CG 4.4Å; W70-M145 PolarHBondContact N-O 2.64Å; W70-M145 PolarHBondContact O-N 3.44Å; W70-Y173 HydrophobicContact CH2-CD1 4.18Å; W70-Y173 HydrophobicContact CZ2-CD1 4.1Å; W70-Y173 HydrophobicContact CZ2-CE1 4.08Å
71T83.6Confident79.1Confident23 Ų2351.1 Ų51.114%0.14125%0.25CC..EExtended strand (participates in β ladder)trans-131.8125.8-173.8-46.40000110.4T45 L46 V47 F142 L143 Q144T45-T71 PolarHBondContact O-N 2.74Å; L46-T71 HydrophobicContact CD1-CG2 4.25Å; V47-T71 PolarHBondContact N-O 3.41Å; T71-F142 HydrophobicContact CG2-CB 4.37Å; T71-F142 HydrophobicContact CG2-CD1 4.25Å; T71-L143 CarbonylContact C-O 3.59Å; T71-L143 WeakPolarHBondContact CA-O 3.38Å; T71-Q144 PolarHBondContact OG1-NE2 3.14Å
72L83.9Confident79.3Confident2 Ų250.9 Ų50.91%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-101123.7169.1176.661.7000109.7V47 W70 L82 F142 L143 Y173V47-L72 HydrophobicContact CB-CD1 3.88Å; V47-L72 HydrophobicContact CG1-CD1 3.58Å; W70-L72 HydrophobicContact CH2-CB 3.53Å; W70-L72 HydrophobicContact CH2-CD2 4.18Å; W70-L72 HydrophobicContact CH2-CG 4.37Å; W70-L72 HydrophobicContact CZ2-CB 4.25Å; W70-L72 HydrophobicContact CZ3-CB 3.77Å; L72-L82 HydrophobicContact CD2-CD1 4.06Å; L72-L82 HydrophobicContact CD2-CD2 4.13Å; L72-L82 HydrophobicContact CG-CD1 4.1Å; L72-L82 HydrophobicContact CG-CD2 4.37Å; L72-F142 CarbonylContact O-C 3.59Å; L72-F142 WeakPolarHBondContact O-CA 3.02Å; L72-L143 PolarHBondContact N-O 2.91Å; L72-L143 PolarHBondContact O-N 2.95Å; L72-Y173 HydrophobicContact CD1-CD2 3.9Å; L72-Y173 HydrophobicContact CD1-CE2 3.82Å; L72-Y173 HydrophobicContact CD2-CD2 3.65Å; L72-Y173 HydrophobicContact CD2-CE2 4.41Å; L72-Y173 HydrophobicContact CD2-CG 3.78Å; L72-Y173 HydrophobicContact CG-CD2 4.46Å
73R84.2Confident79.6Confident90 Ų9048.9 Ų48.934%0.3424%0.236SC..EExtended strand (participates in β ladder)trans-97.6124.9175.4-175.8-179.9-170.3174.95.2110.9L46 V47 Q48 F142L46-R73 HydrophobicContact CD1-CB 4.38Å; V47-R73 PolarHBondContact O-N 3.47Å; Q48-R73 HydrophobicContact CB-CB 4.34Å; Q48-R73 HydrophobicContact CG-CB 4.49Å; R73-F142 HydrophobicContact CB-CD1 3.93Å; R73-F142 HydrophobicContact CB-CE1 3.97Å; R73-F142 HydrophobicContact CG-CD1 3.86Å; R73-F142 HydrophobicContact CG-CE1 3.51Å; R73-F142 HydrophobicContact CG-CZ 4.37Å
74N83.9Confident80Confident2 Ų244.8 Ų44.81%0.01120%0.201CC..PPolyproline II helixtrans-69.4124.4167.7-170.9-22.9000109.8D76 P77 Y80 L82 K140 Q141N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 PolarHBondContact O-N 2.7Å; N74-D76 VanDerWaalsContact OD1-C 3.28Å; N74-D76 PolarHBondContact OD1-N 3.09Å; N74-D76 VanDerWaalsContact OD1-N 3.1Å; N74-D76 PolarHBondContact OD1-O 2.87Å; N74-P77 HydrophobicContact CB-CG 4.38Å; N74-Y80 PolarHBondContact ND2-O 3.36Å; N74-L82 HydrophobicContact CB-CD1 4.03Å; N74-L82 HydrophobicContact CB-CD2 4.1Å; N74-L82 HydrophobicContact CB-CG 4.04Å; N74-K140 WeakPolarHBondContact CB-O 3.42Å; N74-K140 PolarHBondContact ND2-O 3.49Å; N74-K140 VanDerWaalsContact ND2-O 3.09Å; N74-Q141 PolarHBondContact N-O 3.35Å
75P83.5Confident80.5Confident59 Ų5940.8 Ų40.838%0.38318%0.178SC..SBendtrans-58.5-36.8178.4-2534.7000113.6F51 Y80 V175F51-P75 HydrophobicContact CZ-CG 4.48Å; P75-Y80 HydrophobicContact CB-CD2 4.46Å; P75-V175 HydrophobicContact CG-CG1 4.48Å
76D83.2Confident80.9Confident33 Ų3340.6 Ų40.618%0.17618%0.177CC..  trans-160.2104.1176.5-176.3-20.3000110.2N74 R78 R79 Y80N74-D76 VanDerWaalsContact C-N 3.27Å; N74-D76 PolarHBondContact O-N 2.7Å; N74-D76 VanDerWaalsContact OD1-C 3.28Å; N74-D76 PolarHBondContact OD1-N 3.09Å; N74-D76 VanDerWaalsContact OD1-N 3.1Å; N74-D76 PolarHBondContact OD1-O 2.87Å; D76-R78 PolarHBondContact O-N 3.21Å; D76-R78 VanDerWaalsContact O-N 3.08Å; D76-R78 WeakPolarHBondContact OD1-CB 3.35Å; D76-R78 PolarHBondContact OD1-N 3.21Å; D76-R79 HydrophobicContact CB-CB 4.27Å; D76-R79 PolarHBondContact O-N 2.76Å; D76-R79 IonicContact OD2-CZ 2.94Å; D76-R79 IonicContact OD2-NE 3.75Å; D76-R79 PolarHBondContact OD2-NE 2.94Å; D76-R79 IonicContact OD2-NH2 3.55Å; D76-R79 PolarHBondContact OD2-NH2 3.42Å; D76-Y80 HydrophobicContact CB-CD2 4.04Å; D76-Y80 HydrophobicContact CB-CE2 4.33Å; D76-Y80 PolarHBondContact O-N 2.84Å
77P82Confident81.4Confident28 Ų2841.3 Ų41.318%0.18218%0.183CC..THydrogen-bonded Turntrans-57.4-23.4-179.8-27.937.1000115.5N74 S139 Q141N74-P77 HydrophobicContact CB-CG 4.38Å; P77-S139 WeakPolarHBondContact CB-O 3.3Å; P77-Q141 HydrophobicContact CG-CB 4.3Å; P77-Q141 HydrophobicContact CG-CG 3.9Å
78R79.7Confident81.6Confident225 Ų22537.7 Ų37.785%0.84917%0.17SC*.THydrogen-bonded Turntrans-78.5-29.8178.9-58.5-176.5176.8-144.8-1.1111.3D76 N178D76-R78 PolarHBondContact O-N 3.21Å; D76-R78 VanDerWaalsContact O-N 3.08Å; D76-R78 WeakPolarHBondContact OD1-CB 3.35Å; D76-R78 PolarHBondContact OD1-N 3.21Å; R78-N178 PolarHBondContact O-ND2 3.49Å; R78-N178 VanDerWaalsContact O-ND2 3.14Å
79R80Confident81.2Confident155 Ų15538.9 Ų38.959%0.58518%0.18SC*.THydrogen-bonded Turntrans-103-23.2-176.9-74.9-174.3-73177.3-1.7114.2D76 G177 N178D76-R79 HydrophobicContact CB-CB 4.27Å; D76-R79 PolarHBondContact O-N 2.76Å; D76-R79 IonicContact OD2-CZ 2.94Å; D76-R79 IonicContact OD2-NE 3.75Å; D76-R79 PolarHBondContact OD2-NE 2.94Å; D76-R79 IonicContact OD2-NH2 3.55Å; D76-R79 PolarHBondContact OD2-NH2 3.42Å; R79-G177 CarbonylContact O-C 3.58Å; R79-G177 WeakPolarHBondContact O-CA 3.44Å; R79-N178 PolarHBondContact O-N 3.34Å
80Y83.4Confident80.3Confident60 Ų6043.9 Ų43.924%0.23521%0.212CC..EExtended strand (participates in β ladder)trans-132.5145.7-175.9-54.4-80.8000113.1F51 N74 P75 D76 V175 V176 N178F51-Y80 HydrophobicContact CD1-CE1 4.45Å; F51-Y80 HydrophobicContact CE1-CD1 4.01Å; F51-Y80 AromaticContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE1 3.62Å; F51-Y80 HydrophobicContact CE1-CE2 4.38Å; F51-Y80 AromaticContact CE1-CZ 3.83Å; F51-Y80 HydrophobicContact CZ-CE1 4.47Å; N74-Y80 PolarHBondContact ND2-O 3.36Å; P75-Y80 HydrophobicContact CB-CD2 4.46Å; D76-Y80 HydrophobicContact CB-CD2 4.04Å; D76-Y80 HydrophobicContact CB-CE2 4.33Å; D76-Y80 PolarHBondContact O-N 2.84Å; Y80-V175 HydrophobicContact CD1-CG1 4.16Å; Y80-V175 HydrophobicContact CG-CG1 4Å; Y80-V176 CarbonylContact C-O 3.55Å; Y80-V176 VanDerWaalsContact CA-O 3.25Å; Y80-V176 WeakPolarHBondContact CA-O 3.49Å; Y80-N178 PolarHBondContact N-ND2 3.02Å
81T81.4Confident79.3Confident11 Ų1146.8 Ų46.87%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-112.7136.2169.8-63.20000109.2Y83 Q137 V176 N178T81-Y83 HydrophobicContact CG2-CD2 4.12Å; T81-Y83 HydrophobicContact CG2-CE2 3.52Å; T81-Q137 HydrophobicContact CG2-CG 3.67Å; T81-V176 PolarHBondContact N-O 2.72Å; T81-V176 PolarHBondContact O-N 2.94Å; T81-N178 WeakPolarHBondContact CB-OD1 3.44Å; T81-N178 PolarHBondContact N-OD1 3.12Å; T81-N178 VanDerWaalsContact N-OD1 3.12Å; T81-N178 PolarHBondContact OG1-OD1 3.46Å
82L81.9Confident78Confident2 Ų250.9 Ų50.91%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-84130.6172.3-55.4178.9000109.4L72 N74 Q137 A138 L143 V175L72-L82 HydrophobicContact CD2-CD1 4.06Å; L72-L82 HydrophobicContact CD2-CD2 4.13Å; L72-L82 HydrophobicContact CG-CD1 4.1Å; L72-L82 HydrophobicContact CG-CD2 4.37Å; N74-L82 HydrophobicContact CB-CD1 4.03Å; N74-L82 HydrophobicContact CB-CD2 4.1Å; N74-L82 HydrophobicContact CB-CG 4.04Å; L82-Q137 CarbonylContact O-C 3.49Å; L82-Q137 WeakPolarHBondContact O-CA 3.5Å; L82-A138 HydrophobicContact CB-CB 4.25Å; L82-A138 WeakPolarHBondContact CB-O 3.27Å; L82-A138 PolarHBondContact N-O 2.03Å; L82-A138 PolarHBondContact O-N 2.79Å; L82-L143 HydrophobicContact CD1-CB 4.31Å; L82-V175 HydrophobicContact CD2-CB 4.27Å; L82-V175 HydrophobicContact CD2-CG1 4.1Å; L82-V175 HydrophobicContact CD2-CG2 3.62Å
83Y81.2Confident76.9Confident4 Ų453.9 Ų53.92%0.01629%0.285CS..EExtended strand (participates in β ladder)trans-117.4142.6168.4-67.2-92.3000108.7T81 L136 Q137 Y173 L174 V176 L189 I208 Q210 P212T81-Y83 HydrophobicContact CG2-CD2 4.12Å; T81-Y83 HydrophobicContact CG2-CE2 3.52Å; Y83-L136 WeakPolarHBondContact CA-O 3.41Å; Y83-Q137 HydrophobicContact CD1-CB 4.37Å; Y83-Q137 HydrophobicContact CD1-CG 4.22Å; Y83-Q137 HydrophobicContact CE1-CB 4.26Å; Y83-Q137 HydrophobicContact CE1-CG 3.73Å; Y83-Q137 PolarHBondContact OH-NE2 2.86Å; Y83-Y173 CarbonylContact O-C 3.59Å; Y83-Y173 WeakPolarHBondContact O-CA 3.25Å; Y83-L174 PolarHBondContact N-O 3.12Å; Y83-L174 PolarHBondContact O-N 3.08Å; Y83-V176 HydrophobicContact CD2-CB 3.91Å; Y83-V176 HydrophobicContact CD2-CG2 3.52Å; Y83-V176 HydrophobicContact CE2-CB 3.86Å; Y83-V176 HydrophobicContact CE2-CG2 3.95Å; Y83-V176 HydrophobicContact CG-CG2 4.5Å; Y83-L189 HydrophobicContact CD1-CD1 3.71Å; Y83-L189 HydrophobicContact CD1-CD2 4.31Å; Y83-L189 HydrophobicContact CD2-CD1 4.44Å; Y83-L189 HydrophobicContact CD2-CD2 4.2Å; Y83-L189 HydrophobicContact CE1-CD1 4.28Å; Y83-L189 HydrophobicContact CE1-CD2 4.19Å; Y83-L189 HydrophobicContact CE2-CD2 4.07Å; Y83-L189 HydrophobicContact CG-CD1 3.8Å; Y83-L189 HydrophobicContact CG-CD2 4.31Å; Y83-I208 HydrophobicContact CD1-CG2 3.84Å; Y83-I208 HydrophobicContact CE1-CG2 3.8Å; Y83-Q210 PolarHBondContact OH-O 2.66Å; Y83-Q210 VanDerWaalsContact OH-O 3.07Å; Y83-P212 WeakPolarHBondContact OH-CD 3.2Å
84M78.1Confident75.4Confident3 Ų354.7 Ų54.72%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-141.5131.3-178.2174.3179.7-74.600110.1W70 V86 F135 L136 L143 M145 V171 E172W70-M84 HydrophobicContact CH2-CE 3.84Å; W70-M84 HydrophobicContact CZ3-CE 3.78Å; M84-V86 HydrophobicContact CG-CG2 3.95Å; M84-V86 HydrophobicContact SD-CG2 4.05Å; M84-F135 CarbonylContact O-C 3.52Å; M84-F135 WeakPolarHBondContact O-CA 3.43Å; M84-L136 HydrophobicContact CB-CB 4.26Å; M84-L136 PolarHBondContact N-O 2.82Å; M84-L136 PolarHBondContact O-N 2.84Å; M84-L136 HydrophobicContact SD-CD1 4.19Å; M84-L143 HydrophobicContact CE-CD1 4.09Å; M84-L143 HydrophobicContact CE-CD2 3.58Å; M84-L143 HydrophobicContact SD-CD1 4.31Å; M84-L143 HydrophobicContact SD-CD2 4.13Å; M84-M145 HydrophobicContact CE-CE 4.03Å; M84-M145 HydrophobicContact SD-CE 3.32Å; M84-M145 WeakPolarHBondContact SD-CE 3.21Å; M84-V171 HydrophobicContact CE-CG1 3.67Å; M84-V171 HydrophobicContact CG-CG1 3.5Å; M84-V171 HydrophobicContact SD-CG1 3.58Å; M84-V171 VanDerWaalsContact SD-CG1 3.58Å; M84-E172 CarbonylContact C-O 3.6Å; M84-E172 WeakPolarHBondContact CA-O 3.39Å
85K79.9Confident74Confident31 Ų3155.9 Ų55.914%0.13532%0.317CS..EExtended strand (participates in β ladder)trans-107.8124170.5179.6-174.377.8-170.50108.2F135 V171 E172 W192K85-F135 HydrophobicContact CB-CD1 3.94Å; K85-F135 HydrophobicContact CB-CE1 3.67Å; K85-F135 HydrophobicContact CD-CE1 3.75Å; K85-F135 HydrophobicContact CD-CZ 3.99Å; K85-F135 HydrophobicContact CG-CD1 4.07Å; K85-F135 HydrophobicContact CG-CE1 3.41Å; K85-F135 VanDerWaalsContact CG-CE1 3.41Å; K85-F135 HydrophobicContact CG-CZ 3.8Å; K85-V171 WeakPolarHBondContact O-CA 3.33Å; K85-E172 WeakPolarHBondContact CE-OE1 3.3Å; K85-E172 WeakPolarHBondContact CE-OE2 3.36Å; K85-E172 PolarHBondContact N-O 2.81Å; K85-E172 IonicContact NZ-OE1 2.67Å; K85-E172 PolarHBondContact NZ-OE1 3.39Å; K85-E172 IonicContact NZ-OE2 2.77Å; K85-E172 PolarHBondContact NZ-OE2 3.03Å; K85-E172 PolarHBondContact O-N 2.87Å; K85-W192 HydrophobicContact CB-CD2 3.89Å; K85-W192 HydrophobicContact CB-CE3 3.8Å; K85-W192 HydrophobicContact CB-CH2 4.12Å; K85-W192 HydrophobicContact CB-CZ2 4.21Å; K85-W192 HydrophobicContact CB-CZ3 3.91Å; K85-W192 HydrophobicContact CD-CD2 4.26Å; K85-W192 HydrophobicContact CD-CG 4.19Å
86V78.2Confident72.4Confident0 Ų056.8 Ų56.80%032%0.323CS..EExtended strand (participates in β ladder)trans-111.1119.6175.8-175.30000108.5M84 L124 L126 L133 A134 F169 S170 V171M84-V86 HydrophobicContact CG-CG2 3.95Å; M84-V86 HydrophobicContact SD-CG2 4.05Å; V86-L124 HydrophobicContact CB-CD2 3.91Å; V86-L124 HydrophobicContact CG1-CD2 4.06Å; V86-L124 HydrophobicContact CG2-CD2 3.66Å; V86-L126 HydrophobicContact CG1-CD2 3.69Å; V86-L133 CarbonylContact O-C 3.56Å; V86-L133 WeakPolarHBondContact O-CA 3.46Å; V86-A134 PolarHBondContact N-O 3.07Å; V86-A134 PolarHBondContact O-N 2.73Å; V86-F169 HydrophobicContact CG1-CD2 4.07Å; V86-S170 CarbonylContact C-O 3.58Å; V86-S170 WeakPolarHBondContact CA-O 3.45Å; V86-V171 HydrophobicContact CG1-CG2 4.23Å; V86-V171 HydrophobicContact CG2-CG1 4.38Å; V86-V171 HydrophobicContact CG2-CG2 4.14Å
87A79.9Confident71.2Confident27 Ų2755.8 Ų55.822%0.22332%0.32CS..EExtended strand (participates in β ladder)trans-89.4120.1166.200000108.3L133 F169 S170A87-L133 HydrophobicContact CB-CD2 3.93Å; A87-F169 CarbonylContact O-C 3.5Å; A87-F169 WeakPolarHBondContact O-CA 3.46Å; A87-F169 VanDerWaalsContact O-CB 3.3Å; A87-F169 WeakPolarHBondContact O-CB 3.36Å; A87-S170 PolarHBondContact N-O 2.86Å; A87-S170 PolarHBondContact O-N 3.44Å
88K77.8Confident70.5Confident16 Ų1659 Ų597%0.0733%0.329CS..PPolyproline II helixtrans-86.5144.9-178.9-52.3-174.1-159.9173.70110.2R125 L126 D128 A131 P132K88-R125 VanDerWaalsContact CE-O 3.3Å; K88-R125 WeakPolarHBondContact CE-O 3.44Å; K88-R125 PolarHBondContact NZ-O 3.09Å; K88-R125 VanDerWaalsContact NZ-O 3.09Å; K88-L126 WeakPolarHBondContact CD-O 3.47Å; K88-D128 VanDerWaalsContact CD-O 3.3Å; K88-D128 WeakPolarHBondContact CD-O 2.99Å; K88-D128 PolarHBondContact NZ-O 2.88Å; K88-D128 VanDerWaalsContact NZ-O 3.16Å; K88-D128 IonicContact NZ-OD2 3.33Å; K88-D128 PolarHBondContact NZ-OD2 3.39Å; K88-A131 VanDerWaalsContact CD-O 3.23Å; K88-A131 WeakPolarHBondContact CD-O 3.47Å; K88-A131 WeakPolarHBondContact CE-O 3.48Å; K88-A131 PolarHBondContact NZ-O 2.81Å; K88-A131 VanDerWaalsContact NZ-O 3.16Å; K88-P132 PolarHBondContact N-O 2.96Å
89A70.9Confident70Confident26 Ų2648.4 Ų48.422%0.21529%0.289CS..PPolyproline II helixtrans-67.4141.517100000110.8D168A89-D168 HydrophobicContact CB-CB 4.05Å
90P63.2Low69.4Low119 Ų11945.1 Ų45.177%0.77328%0.276SS*.PPolyproline II helixtrans-63.9146.1165.628.4-32.9000110.3
91A65.2Low68.4Low66 Ų6642.6 Ų42.655%0.54527%0.267SS..SBendtrans-54150.8-179.100000112.7
92P57Low67.1Low110 Ų11044.5 Ų44.571%0.71427%0.274SS*.PPolyproline II helixcis-100.7124.125.635-32.9000116.2S94P92-S94 PolarHBondContact O-N 2.83Å
93C59.6Low65.7Low65 Ų6549.2 Ų49.244%0.43930%0.295SS..  trans-79.169.6165.5-97.10000111.7C127C93-C127 HydrophobicContact CB-CB 3.39Å; C93-C127 WeakPolarHBondContact CB-SG 3.37Å; C93-C127 WeakPolarHBondContact SG-CA 3.42Å; C93-C127 WeakPolarHBondContact SG-CB 3.1Å; C93-C127 CovalentContact SG-SG 2.04Å; C93-C127 PolarHBondContact SG-SG 2.95Å
94S53.2Low64Low106 Ų10656.5 Ų56.574%0.74133%0.328SS*.  trans-126.567.5-179.4-60.60000110.5P92P92-S94 PolarHBondContact O-N 2.83Å
95G54.8Low62.1Low27 Ų2762 Ų6228%0.27836%0.357SS..  trans-136.1140.7178.400000111.4G97G95-G97 VanDerWaalsContact C-N 3.27Å; G95-G97 PolarHBondContact O-N 2.87Å
96P50.9Low60.3Low79 Ų7965.3 Ų65.351%0.51338%0.384SS..SBendtrans-71.1-15.8-173.626.3-33.9000114.4P150 F162P96-P150 HydrophobicContact CB-CB 3.94Å; P96-P150 HydrophobicContact CB-CG 4.03Å; P96-P150 VanDerWaalsContact O-CB 3.31Å; P96-P150 WeakPolarHBondContact O-CB 3.31Å; P96-P150 VanDerWaalsContact O-CD 3.31Å; P96-P150 WeakPolarHBondContact O-CD 3.31Å; P96-F162 HydrophobicContact CG-CE1 4.35Å
97G57.7Low58.4Low11 Ų1168.7 Ų68.711%0.11340%0.399CS..SBendtrans-103.554.2-176.600000114.8G95 V99 R147G95-G97 VanDerWaalsContact C-N 3.27Å; G95-G97 PolarHBondContact O-N 2.87Å; G97-V99 PolarHBondContact O-N 2.83Å; G97-R147 WeakPolarHBondContact O-CG 3.39Å; G97-R147 PolarHBondContact O-NE 3.03Å
98R67.1Low56.4Low97 Ų9773.8 Ų73.837%0.36642%0.422SS..  trans-62.9126.2-174.3-170.2166.8107.5-164.33.9112.3E122 Q148R98-E122 IonicContact CZ-OE1 2.7Å; R98-E122 IonicContact CZ-OE2 3.15Å; R98-E122 IonicContact NE-OE1 3.13Å; R98-E122 PolarHBondContact NE-OE1 3.03Å; R98-E122 IonicContact NH2-OE1 3.74Å; R98-E122 PolarHBondContact NH2-OE1 2.88Å; R98-E122 IonicContact NH2-OE2 3.5Å; R98-E122 PolarHBondContact NH2-OE2 3.15Å; R98-Q148 PolarHBondContact O-N 3.03Å
99V69Low54.3Low2 Ų282.4 Ų82.41%0.01246%0.462CS..EExtended strand (participates in β ladder)trans-69.6130.8167.9-175.70000109.8F61 G97 L126 R147 F169F61-V99 HydrophobicContact CB-CG2 4.22Å; F61-V99 HydrophobicContact CD1-CG2 4.4Å; F61-V99 HydrophobicContact CD2-CG1 4.46Å; F61-V99 HydrophobicContact CD2-CG2 4.19Å; F61-V99 HydrophobicContact CE1-CG1 4.42Å; F61-V99 HydrophobicContact CE2-CG1 4.21Å; F61-V99 HydrophobicContact CG-CG2 4.02Å; F61-V99 HydrophobicContact CZ-CG1 4.2Å; G97-V99 PolarHBondContact O-N 2.83Å; V99-L126 HydrophobicContact CB-CD1 4.11Å; V99-L126 HydrophobicContact CG1-CD1 4.13Å; V99-R147 HydrophobicContact CG2-CB 4.17Å; V99-R147 HydrophobicContact CG2-CG 4.04Å; V99-F169 HydrophobicContact CB-CE1 3.92Å; V99-F169 HydrophobicContact CB-CZ 4.23Å; V99-F169 HydrophobicContact CG1-CE1 4.13Å; V99-F169 HydrophobicContact CG1-CZ 3.91Å; V99-F169 HydrophobicContact CG2-CE1 3.99Å; V99-F169 HydrophobicContact CG2-CZ 4.44Å
100R67.1Low52.5Low86 Ų8686 Ų8633%0.32549%0.485SS..EExtended strand (participates in β ladder)trans-117.1151.4175.3-70.9-173.4180-161.17.3110.6Y102 Q146R100-Y102 HydrophobicContact CB-CD2 4.27Å; R100-Y102 HydrophobicContact CB-CE2 3.55Å; R100-Y102 VanDerWaalsContact CD-OH 3.27Å; R100-Y102 WeakPolarHBondContact CD-OH 3.24Å; R100-Q146 PolarHBondContact N-O 3.33Å; R100-Q146 PolarHBondContact O-N 3.48Å; R100-Q146 VanDerWaalsContact O-O 3.07Å
101T62.9Low51.3Low6 Ų682.3 Ų82.34%0.03746%0.461CS..EExtended strand (participates in β ladder)trans-105.7113.4-179.4520000109.2L124 L126 M145T101-L124 HydrophobicContact CG2-CB 4.19Å; T101-L124 PolarHBondContact OG1-N 3.35Å; T101-L124 PolarHBondContact OG1-O 3.36Å; T101-L126 HydrophobicContact CG2-CD1 4.32Å; T101-M145 HydrophobicContact CG2-CE 4.21Å; T101-M145 HydrophobicContact CG2-CG 4.11Å; T101-M145 HydrophobicContact CG2-SD 4.35Å
102Y54.5Low50Low52 Ų5288.7 Ų88.720%0.20447%0.471CS..EExtended strand (participates in β ladder)trans-109.6134-174.7-69.7-76000110.8R100 Q144 Q146 Q148R100-Y102 HydrophobicContact CB-CD2 4.27Å; R100-Y102 HydrophobicContact CB-CE2 3.55Å; R100-Y102 VanDerWaalsContact CD-OH 3.27Å; R100-Y102 WeakPolarHBondContact CD-OH 3.24Å; Y102-Q144 PolarHBondContact N-O 2.79Å; Y102-Q144 VanDerWaalsContact O-O 3.06Å; Y102-Q146 HydrophobicContact CD2-CB 3.86Å; Y102-Q146 HydrophobicContact CE2-CB 4.09Å; Y102-Q148 HydrophobicContact CE2-CG 4.09Å; Y102-Q148 WeakPolarHBondContact OH-CG 3.22Å; Y102-Q148 PolarHBondContact OH-NE2 3.47Å; Y102-Q148 VanDerWaalsContact OH-NE2 3.14Å; Y102-Q148 PolarHBondContact OH-OE1 2.92Å
103Q52.5Low49.1Very low100 Ų10086.6 Ų86.647%0.46746%0.456SS..  trans-98.7108.9170.6-94.2178.748.400109.9D105 V123Q103-D105 PolarHBondContact O-N 3.17Å; Q103-V123 HydrophobicContact CB-CG2 4.05Å; Q103-V123 HydrophobicContact CG-CG2 3.71Å; Q103-V123 VanDerWaalsContact NE2-CG1 3.25Å; Q103-V123 VanDerWaalsContact NE2-CG2 3.32Å
104F45.5Very low48.1Very low158 Ų15890.8 Ų90.869%0.69346%0.464SS*.  trans-75.7110.4162-93.6-83.8000110.1
105D37.6Very low47.2Very low118 Ų11887.8 Ų87.863%0.63144%0.439SS*.SBendtrans71123.1159.8-131.9-35.9000120.7Q103 K140Q103-D105 PolarHBondContact O-N 3.17Å; D105-K140 VanDerWaalsContact O-CD 3.26Å; D105-K140 WeakPolarHBondContact O-CD 3.06Å; D105-K140 WeakPolarHBondContact O-CE 3.39Å; D105-K140 PolarHBondContact O-NZ 2.62Å
106S41.3Very low46.3Very low100 Ų10089.9 Ų89.970%0.69946%0.461SS*.  trans60.772.2153.4-66.30000119.2K140S106-K140 VanDerWaalsContact C-CE 3.5Å; S106-K140 WeakPolarHBondContact O-CE 3.27Å; S106-K140 PolarHBondContact O-NZ 2.84Å; S106-K140 VanDerWaalsContact O-NZ 3.16Å
107F39.4Very low45.4Very low72 Ų7289.4 Ų89.432%0.31646%0.457SS..  trans-92.2140.6166.1-160.9-121.1000110T111F107-T111 VanDerWaalsContact CE1-CB 3.45Å; F107-T111 WeakPolarHBondContact CE1-O 3.41Å; F107-T111 VanDerWaalsContact CE1-OG1 3.22Å; F107-T111 WeakPolarHBondContact CE1-OG1 3.44Å; F107-T111 VanDerWaalsContact CZ-CB 3.41Å; F107-T111 HydrophobicContact CZ-CG2 4.23Å; F107-T111 VanDerWaalsContact CZ-OG1 3.24Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.35Å
108L37Very low44.2Very low134 Ų13498.1 Ų98.170%0.70249%0.494SS*.  trans-74.9131.7172.7-75.2168.4000109.7S110 T111L108-S110 PolarHBondContact O-N 3.43Å; L108-T111 PolarHBondContact O-N 3.42Å; L108-T111 PolarHBondContact O-OG1 3.44Å; L108-T111 VanDerWaalsContact O-OG1 3.07Å
109E34Very low42.9Very low197 Ų19796.4 Ų96.492%0.92150%0.497SS*.THydrogen-bonded Turntrans-59.2-10.3-176.8-163.8167.2-168.900114.2
110S32.3Very low41.6Very low100 Ų100106.4 Ų106.470%0.69954%0.541SS*.THydrogen-bonded Turntrans-78.8-17.2-179.754.10000115.6L108 R112L108-S110 PolarHBondContact O-N 3.43Å; S110-R112 PolarHBondContact O-N 2.86Å
111T37.8Very low40.4Very low43 Ų43107.8 Ų107.826%0.26456%0.555SS.*  trans-94.887.6-172.23.50000111.7F107 L108 T113F107-T111 VanDerWaalsContact CE1-CB 3.45Å; F107-T111 WeakPolarHBondContact CE1-O 3.41Å; F107-T111 VanDerWaalsContact CE1-OG1 3.22Å; F107-T111 WeakPolarHBondContact CE1-OG1 3.44Å; F107-T111 VanDerWaalsContact CZ-CB 3.41Å; F107-T111 HydrophobicContact CZ-CG2 4.23Å; F107-T111 VanDerWaalsContact CZ-OG1 3.24Å; F107-T111 WeakPolarHBondContact CZ-OG1 3.35Å; L108-T111 PolarHBondContact O-N 3.42Å; L108-T111 PolarHBondContact O-OG1 3.44Å; L108-T111 VanDerWaalsContact O-OG1 3.07Å; T111-T113 PolarHBondContact O-N 3.08Å
112R38.8Very low40Very low199 Ų199108.8 Ų108.875%0.75156%0.559SS**  trans-67.793.5172.5-70.6-177.6177.6176.9-1.7111.1S110 Y114S110-R112 PolarHBondContact O-N 2.86Å; R112-Y114 PolarHBondContact O-N 3.16Å
113T39.1Very low40Very low67 Ų67108.4 Ų108.441%0.41156%0.562SS.*  trans-66.6118.2160.242.90000108.7T111 L115T111-T113 PolarHBondContact O-N 3.08Å; T113-L115 PolarHBondContact O-N 3.18Å
114Y37.4Very low40.7Very low152 Ų152103.8 Ų103.860%0.59654%0.541SS*.SBendtrans-75.949.4176.4-83.6-89.4000112.5R112R112-Y114 PolarHBondContact O-N 3.16Å
115L35.2Very low41.8Very low43 Ų43102 Ų10223%0.22553%0.529CS..SBendtrans-109.5100159.1-70.8167.1000105T113 V117 L124 A134 L136T113-L115 PolarHBondContact O-N 3.18Å; L115-V117 PolarHBondContact O-N 2.95Å; L115-L124 HydrophobicContact CD1-CD1 3.94Å; L115-L124 HydrophobicContact CD2-CD1 4.42Å; L115-A134 HydrophobicContact CD1-CB 4.27Å; L115-A134 HydrophobicContact CD2-CB 3.8Å; L115-L136 HydrophobicContact CD1-CD2 3.73Å; L115-L136 HydrophobicContact CD1-CG 4.48Å
116G34.8Very low43.4Very low72 Ų7297 Ų9774%0.74250%0.503SS*.  trans-65.7107.5-174.500000111.1
117V32.6Very low44.7Very low69 Ų6994.6 Ų94.642%0.41849%0.485SS..  -174.4154.7123.7-90.90000112.9L115 S119 R125L115-V117 PolarHBondContact O-N 2.95Å; V117-S119 PolarHBondContact O-N 3.27Å; V117-R125 VanDerWaalsContact CG1-CZ 3.49Å; V117-R125 VanDerWaalsContact CG1-NH1 3.29Å; V117-R125 HydrophobicContact CG2-CG 4.33Å; V117-R125 VanDerWaalsContact CG2-NE 3.29Å
118E33.5Very low46Very low193 Ų19393.7 Ų93.790%0.90248%0.484SS*.  trans-71106169.4-57.7148.7137.600110.9
119S37.8Very low47.3Very low61 Ų6191.5 Ų91.543%0.42748%0.479SS..  trans-170147.3146.563.40000110.2V117 D121V117-S119 PolarHBondContact O-N 3.27Å; S119-D121 PolarHBondContact O-N 2.91Å
120F42.1Very low48.6Very low212 Ų21284.5 Ų84.593%0.9345%0.453SS*.SBendtrans-76.5-11.1178.3-62.9-86000113.3
121D43.2Very low50.3Low116 Ų11680.8 Ų80.862%0.6243%0.427SS*.SBendtrans-103.8-13.6-167.6-61.1-47000115.5S119S119-D121 PolarHBondContact O-N 2.91Å
122E52.8Low51.8Low27 Ų2783 Ų8313%0.12644%0.443CS..  trans-141.699.7-179.5-170.6167.9-125.800112.1R98 L124R98-E122 IonicContact CZ-OE1 2.7Å; R98-E122 IonicContact CZ-OE2 3.15Å; R98-E122 IonicContact NE-OE1 3.13Å; R98-E122 PolarHBondContact NE-OE1 3.03Å; R98-E122 IonicContact NH2-OE1 3.74Å; R98-E122 PolarHBondContact NH2-OE1 2.88Å; R98-E122 IonicContact NH2-OE2 3.5Å; R98-E122 PolarHBondContact NH2-OE2 3.15Å; E122-L124 PolarHBondContact O-N 3.42Å
123V56.2Low53.4Low44 Ų4476.2 Ų76.227%0.26742%0.421SS..SBendtrans-72.4-30.5-171.3173.10000113Q103 L136Q103-V123 HydrophobicContact CB-CG2 4.05Å; Q103-V123 HydrophobicContact CG-CG2 3.71Å; Q103-V123 VanDerWaalsContact NE2-CG1 3.25Å; Q103-V123 VanDerWaalsContact NE2-CG2 3.32Å; V123-L136 HydrophobicContact CG1-CD2 4Å
124L67.2Low55Low3 Ų373 Ų732%0.01640%0.402CS..  trans-141.7118.6179.3170.561.2000109.9V86 T101 L115 E122 L126 A134 L136V86-L124 HydrophobicContact CB-CD2 3.91Å; V86-L124 HydrophobicContact CG1-CD2 4.06Å; V86-L124 HydrophobicContact CG2-CD2 3.66Å; T101-L124 HydrophobicContact CG2-CB 4.19Å; T101-L124 PolarHBondContact OG1-N 3.35Å; T101-L124 PolarHBondContact OG1-O 3.36Å; L115-L124 HydrophobicContact CD1-CD1 3.94Å; L115-L124 HydrophobicContact CD2-CD1 4.42Å; E122-L124 PolarHBondContact O-N 3.42Å; L124-L126 HydrophobicContact CD2-CD2 3.65Å; L124-L126 HydrophobicContact CG-CD2 3.98Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L124-L126 PolarHBondContact O-N 2.96Å; L124-L126 VanDerWaalsContact O-N 3.09Å; L124-A134 HydrophobicContact CD1-CB 3.39Å; L124-A134 HydrophobicContact CD2-CB 4.25Å; L124-A134 HydrophobicContact CG-CB 4.49Å; L124-L136 HydrophobicContact CB-CD1 4.3Å; L124-L136 HydrophobicContact CD2-CD1 3.95Å
125R67.6Low56.7Low119 Ų11966.8 Ų66.845%0.44938%0.378SS..  trans-7394.9166-69.4-175.4174.1170.34110K88 V117 C127 D128K88-R125 VanDerWaalsContact CE-O 3.3Å; K88-R125 WeakPolarHBondContact CE-O 3.44Å; K88-R125 PolarHBondContact NZ-O 3.09Å; K88-R125 VanDerWaalsContact NZ-O 3.09Å; V117-R125 VanDerWaalsContact CG1-CZ 3.49Å; V117-R125 VanDerWaalsContact CG1-NH1 3.29Å; V117-R125 HydrophobicContact CG2-CG 4.33Å; V117-R125 VanDerWaalsContact CG2-NE 3.29Å; R125-C127 PolarHBondContact O-N 3.27Å; R125-D128 HydrophobicContact CB-CB 4.18Å
126L70.9Confident58.6Low14 Ų1465.6 Ų65.67%0.07337%0.371CS..SBendtrans-64.9-29.6172.3-65.4174.4000112.2V86 K88 V99 T101 L124 D128 F169V86-L126 HydrophobicContact CG1-CD2 3.69Å; K88-L126 WeakPolarHBondContact CD-O 3.47Å; V99-L126 HydrophobicContact CB-CD1 4.11Å; V99-L126 HydrophobicContact CG1-CD1 4.13Å; T101-L126 HydrophobicContact CG2-CD1 4.32Å; L124-L126 HydrophobicContact CD2-CD2 3.65Å; L124-L126 HydrophobicContact CG-CD2 3.98Å; L124-L126 HydrophobicContact CG-CG 4.41Å; L124-L126 PolarHBondContact O-N 2.96Å; L124-L126 VanDerWaalsContact O-N 3.09Å; L126-D128 PolarHBondContact O-N 3.22Å; L126-F169 HydrophobicContact CD1-CD1 4.12Å; L126-F169 HydrophobicContact CD1-CE1 3.75Å; L126-F169 HydrophobicContact CD1-CE2 4.27Å; L126-F169 HydrophobicContact CD1-CZ 3.83Å; L126-F169 HydrophobicContact CD2-CD2 4.16Å; L126-F169 HydrophobicContact CD2-CE2 4.39Å; L126-F169 HydrophobicContact CD2-CG 4.27Å
127C69.9Low60.5Low50 Ų5064 Ų6434%0.33835%0.345SS..SBendtrans-97.459.1-177.9-76.20000112.8C93 R125C93-C127 HydrophobicContact CB-CB 3.39Å; C93-C127 WeakPolarHBondContact CB-SG 3.37Å; C93-C127 WeakPolarHBondContact SG-CA 3.42Å; C93-C127 WeakPolarHBondContact SG-CB 3.1Å; C93-C127 CovalentContact SG-SG 2.04Å; C93-C127 PolarHBondContact SG-SG 2.95Å; R125-C127 PolarHBondContact O-N 3.27Å
128D65.9Low62.4Low53 Ų5361.5 Ų61.528%0.28333%0.331SS..  trans-142.5106.9179.3161.638.7000109.5K88 R125 L126 S130K88-D128 VanDerWaalsContact CD-O 3.3Å; K88-D128 WeakPolarHBondContact CD-O 2.99Å; K88-D128 PolarHBondContact NZ-O 2.88Å; K88-D128 VanDerWaalsContact NZ-O 3.16Å; K88-D128 IonicContact NZ-OD2 3.33Å; K88-D128 PolarHBondContact NZ-OD2 3.39Å; R125-D128 HydrophobicContact CB-CB 4.18Å; L126-D128 PolarHBondContact O-N 3.22Å; D128-S130 VanDerWaalsContact C-N 3.3Å; D128-S130 PolarHBondContact O-N 3.19Å; D128-S130 WeakPolarHBondContact OD1-CB 3.29Å; D128-S130 PolarHBondContact OD1-N 3.26Å; D128-S130 VanDerWaalsContact OD1-N 3.13Å; D128-S130 PolarHBondContact OD1-OG 2.86Å; D128-S130 PolarHBondContact OD2-OG 2.88Å
129S65.2Low64Low87 Ų8755.4 Ų55.461%0.60831%0.31SS*.THydrogen-bonded Turntrans-79-6.6-176.154.40000114.1A131S129-A131 VanDerWaalsContact C-N 3.32Å
130S61.3Low65.5Low51 Ų5154.5 Ų54.536%0.35730%0.298SS..THydrogen-bonded Turntrans-73.6-26.7179.980.20000112.8D128 H204D128-S130 VanDerWaalsContact C-N 3.3Å; D128-S130 PolarHBondContact O-N 3.19Å; D128-S130 WeakPolarHBondContact OD1-CB 3.29Å; D128-S130 PolarHBondContact OD1-N 3.26Å; D128-S130 VanDerWaalsContact OD1-N 3.13Å; D128-S130 PolarHBondContact OD1-OG 2.86Å; D128-S130 PolarHBondContact OD2-OG 2.88Å; S130-H204 VanDerWaalsContact CB-NE2 3.26Å; S130-H204 WeakPolarHBondContact CB-NE2 3Å; S130-H204 PolarHBondContact OG-CD2 3.44Å; S130-H204 PolarHBondContact OG-NE2 2.94Å
131A66.6Low67Low21 Ų2149.3 Ų49.317%0.17428%0.277CS..  trans-127.898.7177.600000110.3K88 S129 L133K88-A131 VanDerWaalsContact CD-O 3.23Å; K88-A131 WeakPolarHBondContact CD-O 3.47Å; K88-A131 WeakPolarHBondContact CE-O 3.48Å; K88-A131 PolarHBondContact NZ-O 2.81Å; K88-A131 VanDerWaalsContact NZ-O 3.16Å; S129-A131 VanDerWaalsContact C-N 3.32Å; A131-L133 VanDerWaalsContact C-N 3.25Å; A131-L133 PolarHBondContact O-N 3.38Å
132P70.3Confident68.6Low90 Ų9048.1 Ų48.158%0.58427%0.266SS*.SBendtrans-71.9-17.3-17529.3-36.2000113.8K88K88-P132 PolarHBondContact N-O 2.96Å
133L72.4Confident69.7Low56 Ų5648.1 Ų48.129%0.29327%0.267SS..EExtended strand (participates in β ladder)trans-119.7141.8173.4-65.1176.8000109.5V86 A87 A131 F135V86-L133 CarbonylContact O-C 3.56Å; V86-L133 WeakPolarHBondContact O-CA 3.46Å; A87-L133 HydrophobicContact CB-CD2 3.93Å; A131-L133 VanDerWaalsContact C-N 3.25Å; A131-L133 PolarHBondContact O-N 3.38Å; L133-F135 HydrophobicContact CB-CE2 4.04Å; L133-F135 HydrophobicContact CB-CZ 4.49Å
134A73.1Confident70.7Confident1 Ų148.1 Ų48.11%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-132.8146.6170.500000110.7V86 L115 L124V86-A134 PolarHBondContact N-O 3.07Å; V86-A134 PolarHBondContact O-N 2.73Å; L115-A134 HydrophobicContact CD1-CB 4.27Å; L115-A134 HydrophobicContact CD2-CB 3.8Å; L124-A134 HydrophobicContact CD1-CB 3.39Å; L124-A134 HydrophobicContact CD2-CB 4.25Å; L124-A134 HydrophobicContact CG-CB 4.49Å
135F73.3Confident71.3Confident21 Ų2148 Ų489%0.09226%0.264CS..EExtended strand (participates in β ladder)trans-122.8133.5-178.8-64-88.6000110.3M84 K85 L133 W192 C196 C206 I208M84-F135 CarbonylContact O-C 3.52Å; M84-F135 WeakPolarHBondContact O-CA 3.43Å; K85-F135 HydrophobicContact CB-CD1 3.94Å; K85-F135 HydrophobicContact CB-CE1 3.67Å; K85-F135 HydrophobicContact CD-CE1 3.75Å; K85-F135 HydrophobicContact CD-CZ 3.99Å; K85-F135 HydrophobicContact CG-CD1 4.07Å; K85-F135 HydrophobicContact CG-CE1 3.41Å; K85-F135 VanDerWaalsContact CG-CE1 3.41Å; K85-F135 HydrophobicContact CG-CZ 3.8Å; L133-F135 HydrophobicContact CB-CE2 4.04Å; L133-F135 HydrophobicContact CB-CZ 4.49Å; F135-W192 HydrophobicContact CD1-CE3 4.44Å; F135-W192 HydrophobicContact CE1-CB 3.82Å; F135-W192 HydrophobicContact CE1-CD2 4.44Å; F135-W192 HydrophobicContact CE1-CE3 4.37Å; F135-W192 HydrophobicContact CE1-CG 4.24Å; F135-W192 WeakPolarHBondContact CZ-O 3.41Å; F135-C196 HydrophobicContact CD2-CB 4.04Å; F135-C196 HydrophobicContact CE2-CB 3.41Å; F135-C196 VanDerWaalsContact CE2-CB 3.41Å; F135-C196 HydrophobicContact CZ-CB 3.77Å; F135-C206 VanDerWaalsContact CD2-SG 3.54Å; F135-C206 VanDerWaalsContact CE2-SG 3.55Å; F135-I208 HydrophobicContact CB-CG1 4.14Å; F135-I208 HydrophobicContact CD1-CD1 3.65Å; F135-I208 HydrophobicContact CD1-CG1 4.04Å; F135-I208 HydrophobicContact CE1-CD1 3.99Å; F135-I208 HydrophobicContact CG-CD1 4.15Å; F135-I208 HydrophobicContact CG-CG1 4.01Å
136L73.8Confident71.7Confident17 Ų1745.2 Ų45.29%0.08926%0.256CS..EExtended strand (participates in β ladder)trans-123.6138.8178.9-66.2171.8000109.7Y83 M84 L115 V123 L124Y83-L136 WeakPolarHBondContact CA-O 3.41Å; M84-L136 HydrophobicContact CB-CB 4.26Å; M84-L136 PolarHBondContact N-O 2.82Å; M84-L136 PolarHBondContact O-N 2.84Å; M84-L136 HydrophobicContact SD-CD1 4.19Å; L115-L136 HydrophobicContact CD1-CD2 3.73Å; L115-L136 HydrophobicContact CD1-CG 4.48Å; V123-L136 HydrophobicContact CG1-CD2 4Å; L124-L136 HydrophobicContact CB-CD1 4.3Å; L124-L136 HydrophobicContact CD2-CD1 3.95Å
137Q74.9Confident71.9Confident39 Ų3946 Ų4618%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-120.6127.9174.3-176.6-172.111.400108.2T81 L82 Y83 M209T81-Q137 HydrophobicContact CG2-CG 3.67Å; L82-Q137 CarbonylContact O-C 3.49Å; L82-Q137 WeakPolarHBondContact O-CA 3.5Å; Y83-Q137 HydrophobicContact CD1-CB 4.37Å; Y83-Q137 HydrophobicContact CD1-CG 4.22Å; Y83-Q137 HydrophobicContact CE1-CB 4.26Å; Y83-Q137 HydrophobicContact CE1-CG 3.73Å; Y83-Q137 PolarHBondContact OH-NE2 2.86Å; Q137-M209 PolarHBondContact OE1-O 2.87Å
138A73.5Confident71.7Confident17 Ų1747.2 Ų47.214%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-134.6114.6178.200000111.4L82 K140 L143L82-A138 HydrophobicContact CB-CB 4.25Å; L82-A138 WeakPolarHBondContact CB-O 3.27Å; L82-A138 PolarHBondContact N-O 2.03Å; L82-A138 PolarHBondContact O-N 2.79Å; A138-K140 VanDerWaalsContact C-N 3.34Å; A138-L143 HydrophobicContact CB-CD1 4.09Å
139S66.5Low71.3Confident64 Ų6448.2 Ų48.245%0.44826%0.261SS..  trans-91.713.9179520000113.8P77P77-S139 WeakPolarHBondContact CB-O 3.3Å
140K69.8Low70.7Confident43 Ų4346.3 Ų46.319%0.18725%0.247CC..SBendtrans-109-179-173.3-58.7-171-140.6159.80113.3N74 D105 S106 A138N74-K140 WeakPolarHBondContact CB-O 3.42Å; N74-K140 PolarHBondContact ND2-O 3.49Å; N74-K140 VanDerWaalsContact ND2-O 3.09Å; D105-K140 VanDerWaalsContact O-CD 3.26Å; D105-K140 WeakPolarHBondContact O-CD 3.06Å; D105-K140 WeakPolarHBondContact O-CE 3.39Å; D105-K140 PolarHBondContact O-NZ 2.62Å; S106-K140 VanDerWaalsContact C-CE 3.5Å; S106-K140 WeakPolarHBondContact O-CE 3.27Å; S106-K140 PolarHBondContact O-NZ 2.84Å; S106-K140 VanDerWaalsContact O-NZ 3.16Å; A138-K140 VanDerWaalsContact C-N 3.34Å
141Q73.6Confident69.9Low103 Ų10349 Ų4948%0.48126%0.263SS..SBendtrans-62-39.9-178.6-63.3-100.3-58.700113.9N74 P77N74-Q141 PolarHBondContact N-O 3.35Å; P77-Q141 HydrophobicContact CG-CB 4.3Å; P77-Q141 HydrophobicContact CG-CG 3.9Å
142F75.9Confident69.1Low91 Ų9156.3 Ų56.340%0.39929%0.294SS..EExtended strand (participates in β ladder)trans-142.4152.4-170.5-53.7-80000112.2T71 L72 R73T71-F142 HydrophobicContact CG2-CB 4.37Å; T71-F142 HydrophobicContact CG2-CD1 4.25Å; L72-F142 CarbonylContact O-C 3.59Å; L72-F142 WeakPolarHBondContact O-CA 3.02Å; R73-F142 HydrophobicContact CB-CD1 3.93Å; R73-F142 HydrophobicContact CB-CE1 3.97Å; R73-F142 HydrophobicContact CG-CD1 3.86Å; R73-F142 HydrophobicContact CG-CE1 3.51Å; R73-F142 HydrophobicContact CG-CZ 4.37Å
143L76.7Confident67.8Low27 Ų2759.1 Ų59.114%0.14130%0.304CS..EExtended strand (participates in β ladder)trans-133.4129.1167.5-178.1160.3000107.6W70 T71 L72 L82 M84 A138 M145W70-L143 HydrophobicContact CZ3-CD2 4.03Å; T71-L143 CarbonylContact C-O 3.59Å; T71-L143 WeakPolarHBondContact CA-O 3.38Å; L72-L143 PolarHBondContact N-O 2.91Å; L72-L143 PolarHBondContact O-N 2.95Å; L82-L143 HydrophobicContact CD1-CB 4.31Å; M84-L143 HydrophobicContact CE-CD1 4.09Å; M84-L143 HydrophobicContact CE-CD2 3.58Å; M84-L143 HydrophobicContact SD-CD1 4.31Å; M84-L143 HydrophobicContact SD-CD2 4.13Å; A138-L143 HydrophobicContact CB-CD1 4.09Å; L143-M145 HydrophobicContact CD2-CE 4.4Å
144Q77.2Confident66.8Low44 Ų4460.2 Ų60.221%0.20633%0.329CS..EExtended strand (participates in β ladder)trans-126.5146.5-174.8-164.8176.53500112.5W70 T71 Y102W70-Q144 CarbonylContact O-C 3.59Å; W70-Q144 VanDerWaalsContact O-CA 3.3Å; W70-Q144 WeakPolarHBondContact O-CA 3.25Å; W70-Q144 WeakPolarHBondContact O-CG 3.21Å; T71-Q144 PolarHBondContact OG1-NE2 3.14Å; Y102-Q144 PolarHBondContact N-O 2.79Å; Y102-Q144 VanDerWaalsContact O-O 3.06Å
145M78.6Confident65.3Low1 Ų167.5 Ų67.51%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-126.8140169.4-61.3-170.4177.300108.6F55 F61 S69 W70 M84 T101 L143 F169 V171F55-M145 HydrophobicContact CZ-SD 3.98Å; F61-M145 HydrophobicContact CE2-CB 4.5Å; F61-M145 HydrophobicContact CZ-CB 3.78Å; S69-M145 CarbonylContact C-O 3.59Å; S69-M145 WeakPolarHBondContact CA-O 3.4Å; W70-M145 HydrophobicContact CE3-CG 4.4Å; W70-M145 PolarHBondContact N-O 2.64Å; W70-M145 PolarHBondContact O-N 3.44Å; M84-M145 HydrophobicContact CE-CE 4.03Å; M84-M145 HydrophobicContact SD-CE 3.32Å; M84-M145 WeakPolarHBondContact SD-CE 3.21Å; T101-M145 HydrophobicContact CG2-CE 4.21Å; T101-M145 HydrophobicContact CG2-CG 4.11Å; T101-M145 HydrophobicContact CG2-SD 4.35Å; L143-M145 HydrophobicContact CD2-CE 4.4Å; M145-F169 HydrophobicContact SD-CE2 4.22Å; M145-V171 HydrophobicContact CE-CG2 4.35Å
146Q76.1Confident64.3Low60 Ų6074.7 Ų74.728%0.2841%0.406SS..EExtended strand (participates in β ladder)trans-138.7132.9-178.5-164.7-174.431.800111.1C68 R100 Y102C68-Q146 CarbonylContact O-C 3.59Å; C68-Q146 WeakPolarHBondContact O-CA 3.37Å; C68-Q146 WeakPolarHBondContact O-CG 3.37Å; R100-Q146 PolarHBondContact N-O 3.33Å; R100-Q146 PolarHBondContact O-N 3.48Å; R100-Q146 VanDerWaalsContact O-O 3.07Å; Y102-Q146 HydrophobicContact CD2-CB 3.86Å; Y102-Q146 HydrophobicContact CE2-CB 4.09Å
147R74.9Confident62.6Low29 Ų2977 Ų7711%0.10943%0.433CS..EExtended strand (participates in β ladder)trans-76.4125.3166.1-163.2179.1-163.7-150.25.6109.1F61 P62 A63 A65 C68 G97 V99 D167F61-R147 HydrophobicContact CD1-CB 3.94Å; P62-R147 PolarHBondContact O-NH1 3.36Å; A63-R147 PolarHBondContact O-NH1 2.94Å; A65-R147 PolarHBondContact O-NH1 3.47Å; C68-R147 HydrophobicContact CB-CB 4.39Å; C68-R147 PolarHBondContact O-N 2.02Å; G97-R147 WeakPolarHBondContact O-CG 3.39Å; G97-R147 PolarHBondContact O-NE 3.03Å; V99-R147 HydrophobicContact CG2-CB 4.17Å; V99-R147 HydrophobicContact CG2-CG 4.04Å; R147-D167 IonicContact NH2-OD2 2.64Å
148Q65.6Low61.1Low77 Ų7781.4 Ų81.436%0.3647%0.465SS..PPolyproline II helixtrans-94.5143.4171.9-69.2-129.7-47.400110.6R98 Y102R98-Q148 PolarHBondContact O-N 3.03Å; Y102-Q148 HydrophobicContact CE2-CG 4.09Å; Y102-Q148 WeakPolarHBondContact OH-CG 3.22Å; Y102-Q148 PolarHBondContact OH-NE2 3.47Å; Y102-Q148 VanDerWaalsContact OH-NE2 3.14Å; Y102-Q148 PolarHBondContact OH-OE1 2.92Å
149Q58.6Low60Low74 Ų7489.5 Ų89.535%0.34650%0.501SS..PPolyproline II helixtrans-63.4142.3164.6-168.794.560.600108S66S66-Q149 VanDerWaalsContact CB-CD 3.45Å; S66-Q149 PolarHBondContact OG-OE1 3.09Å
150P53Low58.5Low46 Ų4689 Ų8930%0.29951%0.505SS..PPolyproline II helixtrans-54149.8164.823.4-34.6000110.3P96 Q152P96-P150 HydrophobicContact CB-CB 3.94Å; P96-P150 HydrophobicContact CB-CG 4.03Å; P96-P150 VanDerWaalsContact O-CB 3.31Å; P96-P150 WeakPolarHBondContact O-CB 3.31Å; P96-P150 VanDerWaalsContact O-CD 3.31Å; P96-P150 WeakPolarHBondContact O-CD 3.31Å; P150-Q152 PolarHBondContact O-N 3.42Å
151P44.4Very low57.1Low109 Ų10996.1 Ų96.171%0.70854%0.539SS*.PPolyproline II helixtrans-52.6129.4162.1-19.831.9000108.8D153P151-D153 PolarHBondContact O-N 3.28Å
152Q49.3Very low55.3Low174 Ų17498.8 Ų98.881%0.81355%0.55SS*.  trans-7972.4169.6-69.6-171.85.600108.7P150 G154P150-Q152 PolarHBondContact O-N 3.42Å; Q152-G154 PolarHBondContact O-N 3.02Å; Q152-G154 VanDerWaalsContact O-N 3.09Å
153D43.1Very low53.7Low149 Ų14999.8 Ų99.880%0.79757%0.565SS**  trans-67.7104.1159.4-75-33.7000106.7P151 D155P151-D153 PolarHBondContact O-N 3.28Å; D153-D155 PolarHBondContact O-N 2.91Å; D153-D155 VanDerWaalsContact O-N 3.07Å
154G50.3Low52.2Low79 Ų79104.2 Ų104.281%0.81460%0.599SS**  trans-7693.3-178.400000111.1Q152Q152-G154 PolarHBondContact O-N 3.02Å; Q152-G154 VanDerWaalsContact O-N 3.09Å
155D41.4Very low50.9Low153 Ų153104.4 Ų104.482%0.81861%0.605SS**  trans-149.6157.5144.4-139.8-20.3000113.1D153D153-D155 PolarHBondContact O-N 2.91Å; D153-D155 VanDerWaalsContact O-N 3.07Å
156L53.8Low49.7Very low173 Ų173107.6 Ų107.691%0.90663%0.627SS**  trans-81.3118.6-167.8-71.3154.8000112.3
157G37.7Very low48.9Very low64 Ų64106.5 Ų106.566%0.6662%0.623SS**  trans-125.6139.7165.100000110.6
158P43.3Very low48.6Very low132 Ų132109.7 Ų109.786%0.85764%0.642SS**  trans-66.6151.4-173.527.6-34.6000112.1G160P158-G160 VanDerWaalsContact C-N 3.32Å; P158-G160 PolarHBondContact O-N 2.83Å
159Q49.7Very low49.2Very low188 Ų188106.4 Ų106.488%0.87963%0.627SS**  trans-61.688.4175-71.1179.6-37.500111.2
160G34.8Very low50.3Low53 Ų53104.1 Ų104.155%0.54662%0.619SS.*  trans-66.3133.7148.600000107.9P158 F162P158-G160 VanDerWaalsContact C-N 3.32Å; P158-G160 PolarHBondContact O-N 2.83Å; G160-F162 PolarHBondContact O-N 2.72Å
161E41.2Very low51.7Low193 Ų193101.9 Ų101.990%0.90261%0.605SS**  trans-52108.6176.2-70162.6114.700109.2P163E161-P163 WeakPolarHBondContact O-CD 3.44Å; E161-P163 VanDerWaalsContact O-N 3.08Å
162F36.6Very low53.6Low159 Ų15998.9 Ų98.970%0.69758%0.581SS**  trans-59.7117.3177.6-73.8-82.9000107.6P96 G160 S164P96-F162 HydrophobicContact CG-CE1 4.35Å; G160-F162 PolarHBondContact O-N 2.72Å; F162-S164 PolarHBondContact O-N 3.07Å
163P40.7Very low55.3Low111 Ų11191.1 Ų91.172%0.72154%0.544SS*.  trans-56.7134166.3-15.429.2000105.8E161 S165E161-P163 WeakPolarHBondContact O-CD 3.44Å; E161-P163 VanDerWaalsContact O-N 3.08Å; P163-S165 PolarHBondContact O-N 3.39Å
164S46.6Very low57.3Low121 Ų12184.3 Ų84.385%0.84651%0.508SS*.  trans-64.481.4164.854.30000107.4F162 S166F162-S164 PolarHBondContact O-N 3.07Å; S164-S166 PolarHBondContact O-N 2.84Å
165S50Low58.9Low48 Ų4880.8 Ų80.834%0.33647%0.471SS..  trans-67.487.617365.70000105.8P163 D167P163-S165 PolarHBondContact O-N 3.39Å; S165-D167 PolarHBondContact O-N 3.49Å
166S52.3Low60.9Low68 Ų6873.5 Ų73.548%0.47643%0.432SS..  trans-52.8108.4171-168.50000106S164 D168S164-S166 PolarHBondContact O-N 2.84Å; S166-D168 PolarHBondContact O-N 2.96Å; S166-D168 WeakPolarHBondContact OG-CB 3.26Å
167D59.1Low62.2Low36 Ų3665.6 Ų65.619%0.19339%0.392CS..  trans-65.772.7162.5-78.2-54.4000105.3A57 R147 S165 F169A57-D167 WeakPolarHBondContact CB-O 3.38Å; R147-D167 IonicContact NH2-OD2 2.64Å; S165-D167 PolarHBondContact O-N 3.49Å; D167-F169 HydrophobicContact CB-CD1 4.39Å; D167-F169 HydrophobicContact CB-CE1 4.47Å; D167-F169 PolarHBondContact O-N 3.09Å
168D68.9Low64.3Low97 Ų9765.3 Ų65.352%0.51938%0.375SS..  trans-89.238.4-164.4-148-4.7000111.8A89 S166A89-D168 HydrophobicContact CB-CB 4.05Å; S166-D168 PolarHBondContact O-N 2.96Å; S166-D168 WeakPolarHBondContact OG-CB 3.26Å
169F78.4Confident65.9Low7 Ų770 Ų703%0.03138%0.376CS..  trans-83.6146.1171.377.1-93.3000109.4F55 A57 F61 V86 A87 V99 L126 M145 D167 V171F55-F169 HydrophobicContact CE2-CE2 4.35Å; A57-F169 HydrophobicContact CB-CD1 3.49Å; A57-F169 VanDerWaalsContact CB-CD1 3.49Å; A57-F169 HydrophobicContact CB-CD2 4.06Å; A57-F169 HydrophobicContact CB-CE1 3.28Å; A57-F169 HydrophobicContact CB-CE2 3.88Å; A57-F169 HydrophobicContact CB-CG 3.88Å; A57-F169 HydrophobicContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-CZ 3.5Å; A57-F169 VanDerWaalsContact CB-O 3.31Å; A57-F169 WeakPolarHBondContact CB-O 3.32Å; A57-F169 PolarHBondContact N-O 3.29Å; F61-F169 HydrophobicContact CD2-CZ 4.22Å; F61-F169 HydrophobicContact CE2-CZ 4.04Å; V86-F169 HydrophobicContact CG1-CD2 4.07Å; A87-F169 CarbonylContact O-C 3.5Å; A87-F169 WeakPolarHBondContact O-CA 3.46Å; A87-F169 VanDerWaalsContact O-CB 3.3Å; A87-F169 WeakPolarHBondContact O-CB 3.36Å; V99-F169 HydrophobicContact CB-CE1 3.92Å; V99-F169 HydrophobicContact CB-CZ 4.23Å; V99-F169 HydrophobicContact CG1-CE1 4.13Å; V99-F169 HydrophobicContact CG1-CZ 3.91Å; V99-F169 HydrophobicContact CG2-CE1 3.99Å; V99-F169 HydrophobicContact CG2-CZ 4.44Å; L126-F169 HydrophobicContact CD1-CD1 4.12Å; L126-F169 HydrophobicContact CD1-CE1 3.75Å; L126-F169 HydrophobicContact CD1-CE2 4.27Å; L126-F169 HydrophobicContact CD1-CZ 3.83Å; L126-F169 HydrophobicContact CD2-CD2 4.16Å; L126-F169 HydrophobicContact CD2-CE2 4.39Å; L126-F169 HydrophobicContact CD2-CG 4.27Å; M145-F169 HydrophobicContact SD-CE2 4.22Å; D167-F169 HydrophobicContact CB-CD1 4.39Å; D167-F169 HydrophobicContact CB-CE1 4.47Å; D167-F169 PolarHBondContact O-N 3.09Å; F169-V171 HydrophobicContact CD2-CG2 3.75Å; F169-V171 HydrophobicContact CE2-CG2 3.71Å
170S81.9Confident67.1Low26 Ų2668.1 Ų68.118%0.18237%0.372CS..EExtended strand (participates in β ladder)trans-127.7150.7176.1680000111Y54 F55 V86 A87Y54-S170 WeakPolarHBondContact OH-CB 3.48Å; F55-S170 WeakPolarHBondContact O-CA 3.5Å; V86-S170 CarbonylContact C-O 3.58Å; V86-S170 WeakPolarHBondContact CA-O 3.45Å; A87-S170 PolarHBondContact N-O 2.86Å; A87-S170 PolarHBondContact O-N 3.44Å
171V83.2Confident69.4Low0 Ų067.1 Ų67.10%036%0.356CS..EExtended strand (participates in β ladder)trans-132.4121.5-169.4-177.30000109.3Y54 F55 M84 K85 V86 M145 F169Y54-V171 CarbonylContact C-O 3.55Å; Y54-V171 VanDerWaalsContact CA-O 3.27Å; Y54-V171 WeakPolarHBondContact CA-O 3.02Å; Y54-V171 WeakPolarHBondContact CD2-O 3.22Å; F55-V171 HydrophobicContact CD1-CB 3.92Å; F55-V171 HydrophobicContact CD1-CG1 4.33Å; F55-V171 HydrophobicContact CD2-CB 4.48Å; F55-V171 HydrophobicContact CE1-CB 3.47Å; F55-V171 VanDerWaalsContact CE1-CB 3.47Å; F55-V171 HydrophobicContact CE1-CG1 3.63Å; F55-V171 HydrophobicContact CE1-CG2 3.96Å; F55-V171 HydrophobicContact CE2-CB 4.09Å; F55-V171 HydrophobicContact CE2-CG2 3.83Å; F55-V171 HydrophobicContact CG-CB 4.41Å; F55-V171 HydrophobicContact CZ-CB 3.58Å; F55-V171 HydrophobicContact CZ-CG1 3.99Å; F55-V171 HydrophobicContact CZ-CG2 3.5Å; F55-V171 VanDerWaalsContact CZ-CG2 3.5Å; F55-V171 PolarHBondContact N-O 2.87Å; F55-V171 PolarHBondContact O-N 3.09Å; M84-V171 HydrophobicContact CE-CG1 3.67Å; M84-V171 HydrophobicContact CG-CG1 3.5Å; M84-V171 HydrophobicContact SD-CG1 3.58Å; M84-V171 VanDerWaalsContact SD-CG1 3.58Å; K85-V171 WeakPolarHBondContact O-CA 3.33Å; V86-V171 HydrophobicContact CG1-CG2 4.23Å; V86-V171 HydrophobicContact CG2-CG1 4.38Å; V86-V171 HydrophobicContact CG2-CG2 4.14Å; M145-V171 HydrophobicContact CE-CG2 4.35Å; F169-V171 HydrophobicContact CD2-CG2 3.75Å; F169-V171 HydrophobicContact CE2-CG2 3.71Å
172E84.1Confident71.1Confident46 Ų4661.4 Ų61.422%0.21534%0.337CS..EExtended strand (participates in β ladder)trans-101.7136.3163.4-64.9169-139.700108.6G53 Y54 M84 K85 W192G53-E172 WeakPolarHBondContact O-CA 2.97Å; Y54-E172 HydrophobicContact CD2-CG 3.74Å; M84-E172 CarbonylContact C-O 3.6Å; M84-E172 WeakPolarHBondContact CA-O 3.39Å; K85-E172 WeakPolarHBondContact CE-OE1 3.3Å; K85-E172 WeakPolarHBondContact CE-OE2 3.36Å; K85-E172 PolarHBondContact N-O 2.81Å; K85-E172 IonicContact NZ-OE1 2.67Å; K85-E172 PolarHBondContact NZ-OE1 3.39Å; K85-E172 IonicContact NZ-OE2 2.77Å; K85-E172 PolarHBondContact NZ-OE2 3.03Å; K85-E172 PolarHBondContact O-N 2.87Å; E172-W192 HydrophobicContact CB-CH2 3.91Å; E172-W192 HydrophobicContact CB-CZ2 3.45Å; E172-W192 VanDerWaalsContact CB-CZ2 3.45Å; E172-W192 HydrophobicContact CG-CZ2 4.46Å; E172-W192 WeakPolarHBondContact O-CH2 3.35Å; E172-W192 WeakPolarHBondContact OE2-CZ2 3.35Å; E172-W192 PolarHBondContact OE2-NE1 3.48Å
173Y84.8Confident72.9Confident10 Ų1061.2 Ų61.24%0.03934%0.338CS..EExtended strand (participates in β ladder)trans-127.6149.3174.967.4-91.2000111.5V47 K50 F52 G53 W70 L72 Y83V47-Y173 HydrophobicContact CG1-CE2 4.1Å; V47-Y173 VanDerWaalsContact CG1-OH 3.27Å; V47-Y173 WeakPolarHBondContact CG1-OH 3.37Å; K50-Y173 HydrophobicContact CB-CE2 4.49Å; F52-Y173 WeakPolarHBondContact CA-O 3.35Å; F52-Y173 VanDerWaalsContact CD2-O 3.23Å; F52-Y173 WeakPolarHBondContact CD2-O 3.43Å; G53-Y173 VanDerWaalsContact C-CE1 3.43Å; G53-Y173 VanDerWaalsContact CA-CZ 3.46Å; G53-Y173 PolarHBondContact N-O 3.44Å; G53-Y173 WeakPolarHBondContact O-CD1 3.23Å; G53-Y173 PolarHBondContact O-N 3.27Å; W70-Y173 HydrophobicContact CH2-CD1 4.18Å; W70-Y173 HydrophobicContact CZ2-CD1 4.1Å; W70-Y173 HydrophobicContact CZ2-CE1 4.08Å; L72-Y173 HydrophobicContact CD1-CD2 3.9Å; L72-Y173 HydrophobicContact CD1-CE2 3.82Å; L72-Y173 HydrophobicContact CD2-CD2 3.65Å; L72-Y173 HydrophobicContact CD2-CE2 4.41Å; L72-Y173 HydrophobicContact CD2-CG 3.78Å; L72-Y173 HydrophobicContact CG-CD2 4.46Å; Y83-Y173 CarbonylContact O-C 3.59Å; Y83-Y173 WeakPolarHBondContact O-CA 3.25Å
174L84.8Confident74.4Confident6 Ų658.8 Ų58.83%0.03133%0.327CS..EExtended strand (participates in β ladder)trans-141137.1-176.4-17571.2000109.8F51 F52 Y83 V176 A185 M188 L189 W192F51-L174 CarbonylContact O-C 3.55Å; F52-L174 HydrophobicContact CB-CD1 4.18Å; F52-L174 HydrophobicContact CD2-CD1 4.28Å; Y83-L174 PolarHBondContact N-O 3.12Å; Y83-L174 PolarHBondContact O-N 3.08Å; L174-V176 HydrophobicContact CB-CG2 4.46Å; L174-V176 HydrophobicContact CD2-CG2 3.53Å; L174-V176 HydrophobicContact CG-CG2 3.64Å; L174-A185 HydrophobicContact CD1-CB 4.13Å; L174-A185 HydrophobicContact CD2-CB 4.21Å; L174-A185 WeakPolarHBondContact CD2-O 3.38Å; L174-A185 HydrophobicContact CG-CB 4.4Å; L174-M188 HydrophobicContact CD1-SD 4.42Å; L174-M188 HydrophobicContact CD2-CB 4.15Å; L174-L189 HydrophobicContact CD2-CB 4.15Å; L174-W192 HydrophobicContact CB-CH2 3.9Å; L174-W192 HydrophobicContact CB-CZ3 4.24Å
175V83.6Confident75.7Confident6 Ų653.2 Ų53.24%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-110.2111.2178.6-173.40000107.9K50 F51 P75 Y80 L82K50-V175 WeakPolarHBondContact O-CG2 3.4Å; F51-V175 HydrophobicContact CB-CB 4.34Å; F51-V175 HydrophobicContact CD1-CB 3.82Å; F51-V175 HydrophobicContact CD1-CG1 3.87Å; F51-V175 HydrophobicContact CE1-CG1 4.16Å; F51-V175 HydrophobicContact CG-CB 4.44Å; F51-V175 PolarHBondContact O-N 2.89Å; P75-V175 HydrophobicContact CG-CG1 4.48Å; Y80-V175 HydrophobicContact CD1-CG1 4.16Å; Y80-V175 HydrophobicContact CG-CG1 4Å; L82-V175 HydrophobicContact CD2-CB 4.27Å; L82-V175 HydrophobicContact CD2-CG1 4.1Å; L82-V175 HydrophobicContact CD2-CG2 3.62Å
176V84Confident77.1Confident0 Ų051.9 Ų51.90%028%0.279CS..EExtended strand (participates in β ladder)trans-114132.7-167.8-173.80000110Y80 T81 Y83 L174 P181 A185 L189 P212Y80-V176 CarbonylContact C-O 3.55Å; Y80-V176 VanDerWaalsContact CA-O 3.25Å; Y80-V176 WeakPolarHBondContact CA-O 3.49Å; T81-V176 PolarHBondContact N-O 2.72Å; T81-V176 PolarHBondContact O-N 2.94Å; Y83-V176 HydrophobicContact CD2-CB 3.91Å; Y83-V176 HydrophobicContact CD2-CG2 3.52Å; Y83-V176 HydrophobicContact CE2-CB 3.86Å; Y83-V176 HydrophobicContact CE2-CG2 3.95Å; Y83-V176 HydrophobicContact CG-CG2 4.5Å; L174-V176 HydrophobicContact CB-CG2 4.46Å; L174-V176 HydrophobicContact CD2-CG2 3.53Å; L174-V176 HydrophobicContact CG-CG2 3.64Å; V176-P181 HydrophobicContact CG1-CB 3.62Å; V176-A185 HydrophobicContact CG2-CB 4.31Å; V176-L189 HydrophobicContact CG2-CD2 4.32Å; V176-P212 HydrophobicContact CG1-CG 3.54Å
177G81.3Confident78.4Confident7 Ų754.7 Ų54.77%0.07229%0.285CS..EExtended strand (participates in β ladder)trans-69.4132.2178.300000112.5R79 R179 P181 P212R79-G177 CarbonylContact O-C 3.58Å; R79-G177 WeakPolarHBondContact O-CA 3.44Å; G177-R179 PolarHBondContact O-N 3.33Å; G177-P181 WeakPolarHBondContact O-CB 3.27Å; G177-P181 WeakPolarHBondContact O-CD 3.46Å; G177-P212 WeakPolarHBondContact O-CG 3.46Å
178N81.7Confident79.3Confident57 Ų5755.7 Ų55.731%0.30529%0.289SS..SBendtrans-72.3-26.3-175.2-64.2-16.2000113.6R78 R79 Y80 T81R78-N178 PolarHBondContact O-ND2 3.49Å; R78-N178 VanDerWaalsContact O-ND2 3.14Å; R79-N178 PolarHBondContact O-N 3.34Å; Y80-N178 PolarHBondContact N-ND2 3.02Å; T81-N178 WeakPolarHBondContact CB-OD1 3.44Å; T81-N178 PolarHBondContact N-OD1 3.12Å; T81-N178 VanDerWaalsContact N-OD1 3.12Å; T81-N178 PolarHBondContact OG1-OD1 3.46Å
179R76.8Confident79.7Confident232 Ų23251.1 Ų51.188%0.87527%0.265SS*.SBendtrans-112.6-40.8-179.6-65.6-172.1178.4-149.3-1.1113.3G177G177-R179 PolarHBondContact O-N 3.33Å
180N74Confident79.7Confident148 Ų14851.6 Ų51.679%0.79127%0.268SS*.SBendtrans-131.877179.7-64.787.6000108
181P82.7Confident79.6Confident32 Ų3259.6 Ų59.621%0.20830%0.295CS..  trans-65.2146.7171.130.3-35.7000110V176 G177 C186 P212V176-P181 HydrophobicContact CG1-CB 3.62Å; G177-P181 WeakPolarHBondContact O-CB 3.27Å; G177-P181 WeakPolarHBondContact O-CD 3.46Å; P181-C186 VanDerWaalsContact CB-SG 3.53Å; P181-C186 WeakPolarHBondContact CG-SG 3.33Å; P181-P212 HydrophobicContact CB-CG 4.33Å; P181-P212 HydrophobicContact CG-CB 4.32Å; P181-P212 HydrophobicContact CG-CG 4.39Å
182S78.2Confident79.3Confident72 Ų7260 Ų6050%0.50330%0.296SS..  trans-74148.3175.867.70000110.6A184 A185 C186S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact O-N 2.04Å; S182-A185 PolarHBondContact O-N 2.83Å; S182-A185 VanDerWaalsContact OG-CB 3.24Å; S182-A185 WeakPolarHBondContact OG-CB 3.24Å; S182-A185 PolarHBondContact OG-N 3.06Å; S182-C186 PolarHBondContact O-N 3.06Å
183H73.4Confident78.9Confident155 Ų15559.4 Ų59.472%0.71829%0.294SS*.Hα-helixtrans-53.5-44.8179.2-177.6-90.2000112.2A185 C186 Q187H183-A185 PolarHBondContact O-N 2.91Å; H183-C186 PolarHBondContact O-N 3.15Å; H183-Q187 WeakPolarHBondContact O-CB 3.21Å; H183-Q187 PolarHBondContact O-N 3.1Å
184A72.9Confident78.3Confident60 Ų6063.2 Ų63.250%0.49632%0.315SS..Hα-helixtrans-61.6-42176.600000112.7S182 Q187 M188S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact O-N 2.04Å; A184-Q187 PolarHBondContact O-N 2.95Å; A184-M188 WeakPolarHBondContact O-CG 3.42Å; A184-M188 PolarHBondContact O-N 3.28Å
185A74.3Confident77.5Confident4 Ų465.2 Ų65.23%0.03333%0.332CS..Hα-helixtrans-64.6-41.8176.300000111.5L174 V176 S182 H183 M188 L189L174-A185 HydrophobicContact CD1-CB 4.13Å; L174-A185 HydrophobicContact CD2-CB 4.21Å; L174-A185 WeakPolarHBondContact CD2-O 3.38Å; L174-A185 HydrophobicContact CG-CB 4.4Å; V176-A185 HydrophobicContact CG2-CB 4.31Å; S182-A185 PolarHBondContact O-N 2.83Å; S182-A185 VanDerWaalsContact OG-CB 3.24Å; S182-A185 WeakPolarHBondContact OG-CB 3.24Å; S182-A185 PolarHBondContact OG-N 3.06Å; H183-A185 PolarHBondContact O-N 2.91Å; A185-M188 PolarHBondContact O-N 2.95Å; A185-L189 WeakPolarHBondContact O-CB 3.34Å; A185-L189 PolarHBondContact O-N 3.03Å
186C78.5Confident76.7Confident21 Ų2165 Ų6514%0.14233%0.331CS..Hα-helixtrans-62.7-45.9174.1-70.10000112.8P181 S182 H183 M188 L189 C190 C213P181-C186 VanDerWaalsContact CB-SG 3.53Å; P181-C186 WeakPolarHBondContact CG-SG 3.33Å; S182-C186 PolarHBondContact O-N 3.06Å; H183-C186 PolarHBondContact O-N 3.15Å; C186-M188 VanDerWaalsContact C-N 3.29Å; C186-M188 PolarHBondContact O-N 2.77Å; C186-L189 PolarHBondContact O-N 3.4Å; C186-C190 WeakPolarHBondContact O-CB 3.39Å; C186-C190 PolarHBondContact O-N 3.47Å; C186-C190 PolarHBondContact O-SG 2.96Å; C186-C213 WeakPolarHBondContact CA-SG 3.36Å; C186-C213 HydrophobicContact CB-CB 3.48Å; C186-C213 VanDerWaalsContact CB-CB 3.48Å; C186-C213 WeakPolarHBondContact CB-SG 3.49Å; C186-C213 WeakPolarHBondContact SG-CB 3.45Å; C186-C213 CovalentContact SG-SG 2.04Å; C186-C213 PolarHBondContact SG-SG 2.82Å
187Q79.2Confident76Confident127 Ų12769.5 Ų69.559%0.59336%0.355SS*.Hα-helixtrans-58-41.3177.6-172179.93.600112H183 A184 R191H183-Q187 WeakPolarHBondContact O-CB 3.21Å; H183-Q187 PolarHBondContact O-N 3.1Å; A184-Q187 PolarHBondContact O-N 2.95Å; Q187-R191 WeakPolarHBondContact O-CB 3.3Å; Q187-R191 PolarHBondContact O-N 2.82Å; Q187-R191 VanDerWaalsContact O-N 3.09Å
188M79.3Confident75.1Confident56 Ų5673.5 Ų73.528%0.27639%0.387SS..Hα-helixtrans-67.6-45.4175.2-68.1-168.67400112.5F52 L174 A184 A185 C186 C190 R191 W192F52-M188 HydrophobicContact CD2-CE 3.74Å; F52-M188 HydrophobicContact CD2-SD 4.08Å; F52-M188 HydrophobicContact CE2-CE 3.34Å; F52-M188 HydrophobicContact CE2-SD 4.26Å; F52-M188 HydrophobicContact CG-SD 4.48Å; F52-M188 HydrophobicContact CZ-CE 3.82Å; L174-M188 HydrophobicContact CD1-SD 4.42Å; L174-M188 HydrophobicContact CD2-CB 4.15Å; A184-M188 WeakPolarHBondContact O-CG 3.42Å; A184-M188 PolarHBondContact O-N 3.28Å; A185-M188 PolarHBondContact O-N 2.95Å; C186-M188 VanDerWaalsContact C-N 3.29Å; C186-M188 PolarHBondContact O-N 2.77Å; M188-C190 VanDerWaalsContact C-N 3.34Å; M188-C190 PolarHBondContact O-N 2.79Å; M188-R191 PolarHBondContact O-N 3.31Å; M188-W192 WeakPolarHBondContact O-CB 2.94Å; M188-W192 VanDerWaalsContact O-CD1 3.29Å; M188-W192 PolarHBondContact O-N 3.26Å
189L77Confident73.9Confident2 Ų273.3 Ų73.31%0.0140%0.399CS..Hα-helixtrans-66.1-36.3-178.9-171.458.6000112.3Y83 L174 V176 A185 C186 W192 L193 I208 T211Y83-L189 HydrophobicContact CD1-CD1 3.71Å; Y83-L189 HydrophobicContact CD1-CD2 4.31Å; Y83-L189 HydrophobicContact CD2-CD1 4.44Å; Y83-L189 HydrophobicContact CD2-CD2 4.2Å; Y83-L189 HydrophobicContact CE1-CD1 4.28Å; Y83-L189 HydrophobicContact CE1-CD2 4.19Å; Y83-L189 HydrophobicContact CE2-CD2 4.07Å; Y83-L189 HydrophobicContact CG-CD1 3.8Å; Y83-L189 HydrophobicContact CG-CD2 4.31Å; L174-L189 HydrophobicContact CD2-CB 4.15Å; V176-L189 HydrophobicContact CG2-CD2 4.32Å; A185-L189 WeakPolarHBondContact O-CB 3.34Å; A185-L189 PolarHBondContact O-N 3.03Å; C186-L189 PolarHBondContact O-N 3.4Å; L189-W192 HydrophobicContact CD1-CE3 4.36Å; L189-W192 WeakPolarHBondContact O-CB 2.95Å; L189-W192 PolarHBondContact O-N 3.4Å; L189-L193 PolarHBondContact O-N 3.09Å; L189-I208 HydrophobicContact CD1-CD1 4.12Å; L189-I208 HydrophobicContact CD1-CG2 4.17Å; L189-T211 VanDerWaalsContact CD2-OG1 3.26Å; L189-T211 WeakPolarHBondContact CD2-OG1 3.49Å
190C77.9Confident72.9Confident16 Ų1664.4 Ų64.411%0.10837%0.372CS..Hα-helixtrans-67.9-46.6173.5-63.30000111.7C186 M188 W192 L193 D194 C215C186-C190 WeakPolarHBondContact O-CB 3.39Å; C186-C190 PolarHBondContact O-N 3.47Å; C186-C190 PolarHBondContact O-SG 2.96Å; M188-C190 VanDerWaalsContact C-N 3.34Å; M188-C190 PolarHBondContact O-N 2.79Å; C190-W192 PolarHBondContact O-N 2.83Å; C190-L193 CarbonylContact O-C 3.59Å; C190-L193 WeakPolarHBondContact O-CA 3.03Å; C190-L193 WeakPolarHBondContact O-CB 3.49Å; C190-L193 PolarHBondContact O-N 2.04Å; C190-D194 VanDerWaalsContact O-CG 3.28Å; C190-D194 PolarHBondContact O-N 3.28Å; C190-C215 WeakPolarHBondContact CA-SG 3.39Å; C190-C215 HydrophobicContact CB-CB 3.67Å; C190-C215 WeakPolarHBondContact CB-SG 3.4Å; C190-C215 WeakPolarHBondContact SG-CA 3.43Å; C190-C215 WeakPolarHBondContact SG-CB 3.37Å; C190-C215 CovalentContact SG-SG 2.04Å; C190-C215 PolarHBondContact SG-SG 2.94Å
191R79.8Confident71.9Confident194 Ų19466.1 Ų66.173%0.73237%0.368SS*.Hα-helixtrans-58.6-34.3174-176.8-180176.6-164.2-1112.7Q187 M188 A195Q187-R191 WeakPolarHBondContact O-CB 3.3Å; Q187-R191 PolarHBondContact O-N 2.82Å; Q187-R191 VanDerWaalsContact O-N 3.09Å; M188-R191 PolarHBondContact O-N 3.31Å; R191-A195 WeakPolarHBondContact O-CB 3.37Å; R191-A195 PolarHBondContact O-N 3.18Å; R191-A195 VanDerWaalsContact O-N 3.15Å
192W77.8Confident70.4Confident9 Ų971 Ų713%0.03440%0.402CS..Hα-helixtrans-68-41.1173-7713.3000112.2K85 F135 E172 L174 M188 L189 C190 C196 I208K85-W192 HydrophobicContact CB-CD2 3.89Å; K85-W192 HydrophobicContact CB-CE3 3.8Å; K85-W192 HydrophobicContact CB-CH2 4.12Å; K85-W192 HydrophobicContact CB-CZ2 4.21Å; K85-W192 HydrophobicContact CB-CZ3 3.91Å; K85-W192 HydrophobicContact CD-CD2 4.26Å; K85-W192 HydrophobicContact CD-CG 4.19Å; F135-W192 HydrophobicContact CD1-CE3 4.44Å; F135-W192 HydrophobicContact CE1-CB 3.82Å; F135-W192 HydrophobicContact CE1-CD2 4.44Å; F135-W192 HydrophobicContact CE1-CE3 4.37Å; F135-W192 HydrophobicContact CE1-CG 4.24Å; F135-W192 WeakPolarHBondContact CZ-O 3.41Å; E172-W192 HydrophobicContact CB-CH2 3.91Å; E172-W192 HydrophobicContact CB-CZ2 3.45Å; E172-W192 VanDerWaalsContact CB-CZ2 3.45Å; E172-W192 HydrophobicContact CG-CZ2 4.46Å; E172-W192 WeakPolarHBondContact O-CH2 3.35Å; E172-W192 WeakPolarHBondContact OE2-CZ2 3.35Å; E172-W192 PolarHBondContact OE2-NE1 3.48Å; L174-W192 HydrophobicContact CB-CH2 3.9Å; L174-W192 HydrophobicContact CB-CZ3 4.24Å; M188-W192 WeakPolarHBondContact O-CB 2.94Å; M188-W192 VanDerWaalsContact O-CD1 3.29Å; M188-W192 PolarHBondContact O-N 3.26Å; L189-W192 HydrophobicContact CD1-CE3 4.36Å; L189-W192 WeakPolarHBondContact O-CB 2.95Å; L189-W192 PolarHBondContact O-N 3.4Å; C190-W192 PolarHBondContact O-N 2.83Å; W192-C196 VanDerWaalsContact O-CB 3.24Å; W192-C196 WeakPolarHBondContact O-CB 3.48Å; W192-C196 PolarHBondContact O-N 2.88Å; W192-I208 HydrophobicContact CB-CD1 4Å
193L74.6Confident68.7Low33 Ų3371.3 Ų71.317%0.17341%0.405CS..Hα-helixtrans-63.8-43.3173.8-179.161.5000111.6L189 C190 A195 C196 L197 I208L189-L193 PolarHBondContact O-N 3.09Å; C190-L193 CarbonylContact O-C 3.59Å; C190-L193 WeakPolarHBondContact O-CA 3.03Å; C190-L193 WeakPolarHBondContact O-CB 3.49Å; C190-L193 PolarHBondContact O-N 2.04Å; L193-A195 PolarHBondContact O-N 2.83Å; L193-C196 VanDerWaalsContact O-CB 3.31Å; L193-C196 WeakPolarHBondContact O-CB 3.42Å; L193-C196 PolarHBondContact O-N 2.86Å; L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.13Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.4Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.2Å; L193-L197 PolarHBondContact O-N 3.02Å; L193-I208 HydrophobicContact CB-CD1 4.18Å; L193-I208 HydrophobicContact CD1-CB 4.16Å; L193-I208 HydrophobicContact CD1-CG1 4.22Å
194D71.9Confident67.6Low91 Ų9167.7 Ų67.749%0.48739%0.388SS..Hα-helixtrans-61.2-45.5177.5-61.2-34.9000111.4C190 C196 L197 A198C190-D194 VanDerWaalsContact O-CG 3.28Å; C190-D194 PolarHBondContact O-N 3.28Å; D194-C196 VanDerWaalsContact C-N 3.33Å; D194-C196 PolarHBondContact O-N 2.85Å; D194-L197 PolarHBondContact O-N 2.93Å; D194-A198 VanDerWaalsContact O-CB 3.31Å; D194-A198 WeakPolarHBondContact O-CB 3.31Å; D194-A198 PolarHBondContact O-N 3.43Å
195A68Low66.7Low47 Ų4768.2 Ų68.239%0.38839%0.386SS..Hα-helixtrans-64.3-37.117600000112.7R191 L193 G199R191-A195 WeakPolarHBondContact O-CB 3.37Å; R191-A195 PolarHBondContact O-N 3.18Å; R191-A195 VanDerWaalsContact O-N 3.15Å; L193-A195 PolarHBondContact O-N 2.83Å; A195-G199 PolarHBondContact O-N 2.04Å; A195-G199 VanDerWaalsContact O-N 3.16Å
196C67.8Low65.9Low1 Ų169.7 Ų69.71%0.00740%0.396CS..Hα-helixtrans-62.8-48.4173.9176.80000111.2F135 W192 L193 D194 G199 S200 C206 G207F135-C196 HydrophobicContact CD2-CB 4.04Å; F135-C196 HydrophobicContact CE2-CB 3.41Å; F135-C196 VanDerWaalsContact CE2-CB 3.41Å; F135-C196 HydrophobicContact CZ-CB 3.77Å; W192-C196 VanDerWaalsContact O-CB 3.24Å; W192-C196 WeakPolarHBondContact O-CB 3.48Å; W192-C196 PolarHBondContact O-N 2.88Å; L193-C196 VanDerWaalsContact O-CB 3.31Å; L193-C196 WeakPolarHBondContact O-CB 3.42Å; L193-C196 PolarHBondContact O-N 2.86Å; D194-C196 VanDerWaalsContact C-N 3.33Å; D194-C196 PolarHBondContact O-N 2.85Å; C196-G199 PolarHBondContact O-N 2.92Å; C196-S200 WeakPolarHBondContact O-CB 3.43Å; C196-S200 PolarHBondContact O-N 2.99Å; C196-S200 VanDerWaalsContact O-N 3.09Å; C196-C206 WeakPolarHBondContact CA-SG 3.37Å; C196-C206 HydrophobicContact CB-CB 4.19Å; C196-C206 WeakPolarHBondContact CB-SG 3.48Å; C196-C206 VanDerWaalsContact O-CB 3.29Å; C196-C206 WeakPolarHBondContact O-CB 3.01Å; C196-C206 WeakPolarHBondContact SG-CB 3.39Å; C196-C206 CovalentContact SG-SG 2.04Å; C196-C206 PolarHBondContact SG-SG 2.94Å; C196-G207 VanDerWaalsContact SG-CA 3.59Å; C196-G207 PolarHBondContact SG-N 3.05Å
197L68.3Low65Low95 Ų9570.4 Ų70.450%0.49741%0.407SS..Hα-helixtrans-67.3-39.7179-67.6174.2000112.3L193 D194 G199 S200L193-L197 HydrophobicContact CD1-CD1 4.12Å; L193-L197 HydrophobicContact CD1-CG 4.13Å; L193-L197 HydrophobicContact CG-CD1 3.99Å; L193-L197 HydrophobicContact CG-CG 4.4Å; L193-L197 WeakPolarHBondContact O-CB 3.3Å; L193-L197 VanDerWaalsContact O-CG 3.3Å; L193-L197 WeakPolarHBondContact O-CG 3.2Å; L193-L197 PolarHBondContact O-N 3.02Å; D194-L197 PolarHBondContact O-N 2.93Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.15Å; L197-S200 WeakPolarHBondContact O-CB 3.12Å; L197-S200 PolarHBondContact O-N 2.85Å; L197-S200 VanDerWaalsContact O-N 3.12Å
198A64.3Low64Low91 Ų9165.3 Ų65.375%0.75238%0.384SS*.Hα-helixtrans-64.7-31.3176.400000113.3D194D194-A198 VanDerWaalsContact O-CB 3.31Å; D194-A198 WeakPolarHBondContact O-CB 3.31Å; D194-A198 PolarHBondContact O-N 3.43Å
199G56.4Low62.7Low54 Ų5467.4 Ų67.456%0.55739%0.394SS*.Hα-helixtrans-85.8-9.317300000114.8A195 C196 L197A195-G199 PolarHBondContact O-N 2.04Å; A195-G199 VanDerWaalsContact O-N 3.16Å; C196-G199 PolarHBondContact O-N 2.92Å; L197-G199 VanDerWaalsContact C-N 3.3Å; L197-G199 PolarHBondContact O-N 3.15Å
200S55.5Low61.6Low45 Ų4574.1 Ų74.132%0.31543%0.425SS..  trans-70.7132.6-172.4-1680000111.8C196 L197 P205 C206C196-S200 WeakPolarHBondContact O-CB 3.43Å; C196-S200 PolarHBondContact O-N 2.99Å; C196-S200 VanDerWaalsContact O-N 3.09Å; L197-S200 WeakPolarHBondContact O-CB 3.12Å; L197-S200 PolarHBondContact O-N 2.85Å; L197-S200 VanDerWaalsContact O-N 3.12Å; S200-P205 WeakPolarHBondContact OG-CA 3.3Å; S200-C206 PolarHBondContact OG-N 2.95Å
201R51.5Low61Low184 Ų18475.3 Ų75.369%0.69443%0.432SS*.BIsolated β-bridgetrans-125.7160177.1-65.3-177.4178.2-172.2-1.5110.1S203 H204R201-S203 PolarHBondContact O-N 3.47Å; R201-S203 VanDerWaalsContact O-N 3.14Å; R201-H204 PolarHBondContact N-O 3.2Å; R201-H204 VanDerWaalsContact N-O 3.14Å; R201-H204 CarbonylContact O-C 3.6Å; R201-H204 PolarHBondContact O-N 3.33Å
202S51.1Low60.5Low133 Ų13368.1 Ų68.193%0.9341%0.411SS*.THydrogen-bonded Turntrans-56.3-30.917752.60000113.6
203S43.9Very low60.3Low80 Ų8068.2 Ų68.256%0.55941%0.412SS*.THydrogen-bonded Turntrans-83-23.6174.850.70000114.5R201R201-S203 PolarHBondContact O-N 3.47Å; R201-S203 VanDerWaalsContact O-N 3.14Å
204H50.4Low60.3Low79 Ų7971.3 Ų71.337%0.36644%0.443SS..BIsolated β-bridgetrans-138.975.2-176.6-59.689.8000109.1S130 R201 C206S130-H204 VanDerWaalsContact CB-NE2 3.26Å; S130-H204 WeakPolarHBondContact CB-NE2 3Å; S130-H204 PolarHBondContact OG-CD2 3.44Å; S130-H204 PolarHBondContact OG-NE2 2.94Å; R201-H204 PolarHBondContact N-O 3.2Å; R201-H204 VanDerWaalsContact N-O 3.14Å; R201-H204 CarbonylContact O-C 3.6Å; R201-H204 PolarHBondContact O-N 3.33Å; H204-C206 PolarHBondContact O-N 3.35Å
205P52.7Low60Low71 Ų7168.9 Ų68.946%0.46143%0.433SS..  trans-72123.7-17928.6-34000110.4S200S200-P205 WeakPolarHBondContact OG-CA 3.3Å
206C59.1Low59.4Low34 Ų3473.5 Ų73.523%0.2345%0.45CS..  trans-101.6140.3175.8-168.90000110.6F135 C196 S200 H204F135-C206 VanDerWaalsContact CD2-SG 3.54Å; F135-C206 VanDerWaalsContact CE2-SG 3.55Å; C196-C206 WeakPolarHBondContact CA-SG 3.37Å; C196-C206 HydrophobicContact CB-CB 4.19Å; C196-C206 WeakPolarHBondContact CB-SG 3.48Å; C196-C206 VanDerWaalsContact O-CB 3.29Å; C196-C206 WeakPolarHBondContact O-CB 3.01Å; C196-C206 WeakPolarHBondContact SG-CB 3.39Å; C196-C206 CovalentContact SG-SG 2.04Å; C196-C206 PolarHBondContact SG-SG 2.94Å; S200-C206 PolarHBondContact OG-N 2.95Å; H204-C206 PolarHBondContact O-N 3.35Å
207G57.6Low58.5Low36 Ų3676.3 Ų76.337%0.37148%0.479SS..  trans-164.3151.8171.200000113.5C196C196-G207 VanDerWaalsContact SG-CA 3.59Å; C196-G207 PolarHBondContact SG-N 3.05Å
208I59Low57.2Low21 Ų2175.7 Ų75.711%0.10850%0.496CS..  trans-109.6112.6173.1-51.7179.9000107.9Y83 F135 L189 W192 L193Y83-I208 HydrophobicContact CD1-CG2 3.84Å; Y83-I208 HydrophobicContact CE1-CG2 3.8Å; F135-I208 HydrophobicContact CB-CG1 4.14Å; F135-I208 HydrophobicContact CD1-CD1 3.65Å; F135-I208 HydrophobicContact CD1-CG1 4.04Å; F135-I208 HydrophobicContact CE1-CD1 3.99Å; F135-I208 HydrophobicContact CG-CD1 4.15Å; F135-I208 HydrophobicContact CG-CG1 4.01Å; L189-I208 HydrophobicContact CD1-CD1 4.12Å; L189-I208 HydrophobicContact CD1-CG2 4.17Å; W192-I208 HydrophobicContact CB-CD1 4Å; L193-I208 HydrophobicContact CB-CD1 4.18Å; L193-I208 HydrophobicContact CD1-CB 4.16Å; L193-I208 HydrophobicContact CD1-CG1 4.22Å
209M51.4Low55.6Low100 Ų10076.3 Ų76.349%0.49349%0.486SS..  trans-80.4152.3-176.6-62.7-59.3-69.800111.9Q137 T211Q137-M209 PolarHBondContact OE1-O 2.87Å; M209-T211 VanDerWaalsContact C-N 3.27Å; M209-T211 PolarHBondContact O-N 2.87Å; M209-T211 VanDerWaalsContact O-N 3.09Å
210Q54.4Low54.9Low142 Ų14280.4 Ų80.466%0.66450%0.5SS*.SBendtrans50.839165.6-60.4178.6-2.800115.2Y83Y83-Q210 PolarHBondContact OH-O 2.66Å; Y83-Q210 VanDerWaalsContact OH-O 3.07Å
211T66.5Low53.7Low41 Ų4181.2 Ų81.225%0.25252%0.516SS..  trans-61.8131.2170.3169.40000110.5L189 M209 C213L189-T211 VanDerWaalsContact CD2-OG1 3.26Å; L189-T211 WeakPolarHBondContact CD2-OG1 3.49Å; M209-T211 VanDerWaalsContact C-N 3.27Å; M209-T211 PolarHBondContact O-N 2.87Å; M209-T211 VanDerWaalsContact O-N 3.09Å; T211-C213 PolarHBondContact O-N 2.88Å; T211-C213 WeakPolarHBondContact OG1-CB 3.42Å; T211-C213 PolarHBondContact OG1-N 2.88Å; T211-C213 VanDerWaalsContact OG1-N 3.08Å; T211-C213 PolarHBondContact OG1-O 3.39Å
212P68.7Low52.8Low44 Ų4479.8 Ų79.829%0.28652%0.522SS..SBendtrans-76.12.5172.433.6-36.5000112.7Y83 V176 G177 P181Y83-P212 WeakPolarHBondContact OH-CD 3.2Å; V176-P212 HydrophobicContact CG1-CG 3.54Å; G177-P212 WeakPolarHBondContact O-CG 3.46Å; P181-P212 HydrophobicContact CB-CG 4.33Å; P181-P212 HydrophobicContact CG-CB 4.32Å; P181-P212 HydrophobicContact CG-CG 4.39Å
213C73.1Confident52.3Low10 Ų1079.2 Ų79.27%0.06852%0.515CS..SBendtrans-106.2131.4-175.5-64.80000111.8C186 T211 C215C186-C213 WeakPolarHBondContact CA-SG 3.36Å; C186-C213 HydrophobicContact CB-CB 3.48Å; C186-C213 VanDerWaalsContact CB-CB 3.48Å; C186-C213 WeakPolarHBondContact CB-SG 3.49Å; C186-C213 WeakPolarHBondContact SG-CB 3.45Å; C186-C213 CovalentContact SG-SG 2.04Å; C186-C213 PolarHBondContact SG-SG 2.82Å; T211-C213 PolarHBondContact O-N 2.88Å; T211-C213 WeakPolarHBondContact OG1-CB 3.42Å; T211-C213 PolarHBondContact OG1-N 2.88Å; T211-C213 VanDerWaalsContact OG1-N 3.08Å; T211-C213 PolarHBondContact OG1-O 3.39Å; C213-C215 PolarHBondContact O-N 3.04Å
214A75.3Confident51.8Low98 Ų9879.8 Ų79.881%0.8152%0.524SS*.  trans-78.9105.5169.700000109.8L216A214-L216 PolarHBondContact O-N 2.93Å
215C65.4Low51Low41 Ų4181.6 Ų81.628%0.27755%0.546SS..  trans-82.8110.4175-57.80000109.5C190 C213 G217C190-C215 WeakPolarHBondContact CA-SG 3.39Å; C190-C215 HydrophobicContact CB-CB 3.67Å; C190-C215 WeakPolarHBondContact CB-SG 3.4Å; C190-C215 WeakPolarHBondContact SG-CA 3.43Å; C190-C215 WeakPolarHBondContact SG-CB 3.37Å; C190-C215 CovalentContact SG-SG 2.04Å; C190-C215 PolarHBondContact SG-SG 2.94Å; C213-C215 PolarHBondContact O-N 3.04Å; C215-G217 PolarHBondContact O-N 2.92Å
216L54.6Low50Low144 Ų14484 Ų8475%0.75457%0.565SS**  trans-71.4112.5170.4-66.3171.6000108.2A214 G218A214-L216 PolarHBondContact O-N 2.93Å; L216-G218 PolarHBondContact O-N 3.1Å
217G48.8Very low49.7Very low59 Ų5987.7 Ų87.761%0.60859%0.588SS**  trans-52.5129.5158.200000108.2C215 D219C215-G217 PolarHBondContact O-N 2.92Å; G217-D219 PolarHBondContact O-N 3.01Å
218G40.8Very low48.4Very low83 Ų8393.7 Ų93.786%0.85661%0.611SS**  trans-53.3107.7-162.800000113.2L216L216-G218 PolarHBondContact O-N 3.1Å
219D32.1Very low47.3Very low103 Ų10398.7 Ų98.755%0.55164%0.642SS**  trans-95.5126.7176.3-136.937.2000108.6G217 G221 R333G217-D219 PolarHBondContact O-N 3.01Å; D219-G221 PolarHBondContact O-N 3.41Å; D219-R333 IonicContact OD1-CZ 3.48Å; D219-R333 IonicContact OD1-NH1 2.66Å; D219-R333 PolarHBondContact OD1-NH1 3.25Å; D219-R333 IonicContact OD1-NH2 2.83Å; D219-R333 PolarHBondContact OD1-NH2 3.34Å; D219-R333 IonicContact OD2-CZ 3.97Å; D219-R333 IonicContact OD2-NH1 2.87Å; D219-R333 PolarHBondContact OD2-NH1 3.17Å; D219-R333 IonicContact OD2-NH2 2.72Å; D219-R333 PolarHBondContact OD2-NH2 3.42Å
220V40.9Very low47Very low140 Ų14098.7 Ų98.785%0.84865%0.65SS**  trans-66.1117.5172.5175.90000108.7
221G31.3Very low46.1Very low63 Ų63102.4 Ų102.465%0.64966%0.658SS**  trans-107.8143.3156.200000108.8D219D219-G221 PolarHBondContact O-N 3.41Å
222D31.2Very low44.4Very low154 Ų154103.6 Ų103.682%0.82468%0.678SS**  cis-152.7166.4-5.2-118.8-30.7000107.7
223P41.3Very low42.8Very low120 Ų120108 Ų10878%0.77970%0.699SS**  trans-87.8129.1-169.133-33.2000113.7
224A32.9Very low41Very low92 Ų92113.5 Ų113.576%0.7673%0.733SS**  trans-148.5131.4160.500000112.5
225S33.5Very low39.1Very low118 Ų118115.3 Ų115.383%0.82574%0.737SS**SBendtrans77110.3167.368.30000120.8
226S31.4Very low37.5Very low122 Ų122121.2 Ų121.285%0.85377%0.766SS**  trans86.5150.4146.8-73.50000121.6
227P53Low36.7Very low110 Ų110124.6 Ų124.671%0.71477%0.768SS**  trans-122.4171.4-150.241-27.2000115.3
228L31Very low35.9Very low162 Ų162129.3 Ų129.385%0.84878%0.78SS**  trans167.896.5143.2-89153.4000112.9
229V35.5Very low35.6Very low127 Ų127128.4 Ų128.477%0.7777%0.77SS**  40.2143.1117170.10000119.7
230P46.1Very low35.5Very low100 Ų100130.6 Ų130.665%0.64979%0.787SS**  cis-152.7-166.3-25.144.5-23.3000117.8
231R34.7Very low35.5Very low219 Ų219128.8 Ų128.883%0.82679%0.787SS**  trans74.9139.1160.2-57.4-85.8169.3118.52.1117D233R231-D233 WeakPolarHBondContact CD-OD2 3.26Å
232G31.3Very low35.5Very low67 Ų67129.6 Ų129.669%0.69180%0.795SS**  cis170.81722.200000110.5
233D34.7Very low35.7Very low135 Ų135124.8 Ų124.872%0.72278%0.782SS**  cis-150.7-140.3-10.1-81.2-42.8000108.4R231R231-D233 WeakPolarHBondContact CD-OD2 3.26Å
234V35.9Very low35.9Very low127 Ų127125.2 Ų125.277%0.7778%0.784SS**  trans-125.6147.5-159.7174.20000114.7
235C34.1Very low36.5Very low135 Ų135127.1 Ų127.191%0.91278%0.777SS**  trans-108.6122159.3-72.20000110.4
236L33.4Very low37.2Very low166 Ų166128.3 Ų128.387%0.86978%0.775SS**  trans-90146.4-175.2-168.567000111.7
237R36.3Very low37.5Very low215 Ų215128.9 Ų128.981%0.81178%0.777SS**  trans-102.7136.2174.5165.7-176.1169.4170.4-0.4109.9
238D33.6Very low37Very low158 Ų158130.7 Ų130.785%0.84578%0.78SS**  trans178.1142.6145.9-84.4-30.1000106.6
239G32.4Very low37.2Very low64 Ų64129.1 Ų129.166%0.6678%0.778SS**  cis-179.9159.4-700000108.8
240V31.5Very low37.2Very low149 Ų149128 Ų12890%0.90378%0.775SS**  trans82.3104.3175.4-171.40000118.8
241A41.4Very low37.1Very low102 Ų102130.5 Ų130.584%0.84378%0.782SS**  trans35.4104.1142.400000122.7
242G30.1Very low37.7Very low79 Ų79126.6 Ų126.681%0.81478%0.783SS**  trans155.4115.1147.700000115.1
243G35.2Very low38Very low53 Ų53130.8 Ų130.855%0.54679%0.785SS.*  trans67.2131.7157.600000119.2E245G243-E245 VanDerWaalsContact C-N 3.31Å; G243-E245 VanDerWaalsContact C-OE1 3.28Å; G243-E245 WeakPolarHBondContact CA-OE1 3.27Å; G243-E245 PolarHBondContact O-N 3.14Å
244P46.2Very low38.7Very low129 Ų129131.4 Ų131.484%0.83879%0.788SS**SBendtrans-88.451.7178.939.3-37.1000113.6
245E45.7Very low38.9Very low132 Ų132135.9 Ų135.962%0.61779%0.791SS**  trans-128.6144.6176.329.9-75.9146.400112.6G243G243-E245 VanDerWaalsContact C-N 3.31Å; G243-E245 VanDerWaalsContact C-OE1 3.28Å; G243-E245 WeakPolarHBondContact CA-OE1 3.27Å; G243-E245 PolarHBondContact O-N 3.14Å
246N47.3Very low39.4Very low143 Ų143133.4 Ų133.477%0.76579%0.788SS**  trans84.452175.1-46.5-44.7000118.5
247C38.1Very low39.6Very low134 Ų134129 Ų12991%0.90578%0.782SS**SBendtrans-11944.9141.1-158.90000110.9
248L42.9Very low40.1Very low149 Ų149128.2 Ų128.278%0.7879%0.788SS**  trans-157.765.4-178.2-127.4173.4000114.2
249T34.4Very low40.5Very low129 Ų129124.1 Ų124.179%0.79178%0.782SS**  trans-143.892.5159.942.50000111.5
250S35.6Very low41.4Very low102 Ų102124 Ų12471%0.71377%0.772SS**  -165.580.9123.7-161.80000109.9
251L45.2Very low42.3Very low154 Ų154121.5 Ų121.581%0.80677%0.766SS**  trans-84.1145.5144.4-77.3169.7000106.6
252T45.4Very low43.3Very low137 Ų137118 Ų11884%0.8474%0.74SS**  trans66.277.2-179.373.10000117
253Q38.1Very low45Very low155 Ų155115.7 Ų115.772%0.72472%0.716SS**  trans-119.193.3130.1-173.785.665.100107.4R255Q253-R255 PolarHBondContact O-N 3.48Å
254D49.2Very low46.6Very low147 Ų147116.3 Ų116.379%0.78670%0.702SS**  trans-71.2117.2170.1-166.70000108.8
255R39.8Very low47.9Very low222 Ų222115.7 Ų115.784%0.83869%0.686SS**  trans-149.2111.6164.1-116.3-179.7177144.51.7107.4Q253 G257Q253-R255 PolarHBondContact O-N 3.48Å; R255-G257 PolarHBondContact O-N 2.94Å
256G45.3Very low49.1Very low83 Ų83117.2 Ų117.286%0.85670%0.698SS**  trans-53.1129.7-166.200000114.3
257G38.9Very low50.3Low72 Ų72113.3 Ų113.374%0.74267%0.672SS**  trans-175.663.6-176.600000112.4R255R255-G257 PolarHBondContact O-N 2.94Å
258H46.5Very low51.5Low200 Ų200109.3 Ų109.393%0.92665%0.646SS**  trans31.7100157.3-171.257.4000118.2
259G41Very low52.9Low71 Ų71110 Ų11073%0.73265%0.65SS**  trans170.7105.9167.200000115.3
260S51.5Low54.7Low63 Ų63106.9 Ų106.944%0.44162%0.623SS.*  trans-66.9126171177.80000111.2L292S260-L292 WeakPolarHBondContact CB-O 3.15Å; S260-L292 PolarHBondContact OG-N 3.31Å; S260-L292 PolarHBondContact OG-O 3.21Å
261A51.3Low56.3Low95 Ų95103 Ų10379%0.78560%0.6SS**  trans-119.686.5178.300000111.5
262G60.7Low57.4Low29 Ų29101.2 Ų101.230%0.29959%0.588SS.*  trans-87.3163.3166.700000111.9L289G262-L289 CarbonylContact C-O 3.51Å; G262-L289 VanDerWaalsContact CA-O 3.26Å; G262-L289 WeakPolarHBondContact CA-O 3.16Å
263G66.9Low58.6Low30 Ų3095.4 Ų95.431%0.30955%0.552SS.*EExtended strand (participates in β ladder)trans151.8176.8-175.800000112.6K265 L289 C299G263-K265 PolarHBondContact O-N 2.94Å; G263-L289 PolarHBondContact N-O 2.75Å; G263-L289 PolarHBondContact O-N 2.98Å; G263-C299 PolarHBondContact O-SG 2.77Å; G263-C299 VanDerWaalsContact O-SG 3.36Å
264W68.3Low60Low67 Ų6789 Ų8925%0.25452%0.523SS..EExtended strand (participates in β ladder)trans-63.8130.4175.6-77116.7000111.2R286 C288 C299 E300 G301 L303W264-R286 HydrophobicContact CD2-CG 4.21Å; W264-R286 HydrophobicContact CE3-CB 4.38Å; W264-R286 HydrophobicContact CE3-CG 3.57Å; W264-R286 HydrophobicContact CZ3-CG 3.82Å; W264-C288 HydrophobicContact CE3-CB 3.94Å; W264-C288 HydrophobicContact CH2-CB 4.26Å; W264-C288 HydrophobicContact CZ3-CB 3.74Å; W264-C299 HydrophobicContact CD2-CB 3.44Å; W264-C299 VanDerWaalsContact CD2-CB 3.44Å; W264-C299 HydrophobicContact CE3-CB 4.04Å; W264-C299 HydrophobicContact CG-CB 3.68Å; W264-C299 HydrophobicContact CH2-CB 4.34Å; W264-C299 HydrophobicContact CZ2-CB 3.78Å; W264-C299 WeakPolarHBondContact CZ2-O 3.47Å; W264-C299 HydrophobicContact CZ3-CB 4.45Å; W264-C299 PolarHBondContact N-SG 2.98Å; W264-C299 VanDerWaalsContact N-SG 3.45Å; W264-E300 PolarHBondContact NE1-O 2.96Å; W264-G301 WeakPolarHBondContact CZ2-O 3.25Å; W264-L303 HydrophobicContact CH2-CB 4.38Å; W264-L303 HydrophobicContact CH2-CD1 4.02Å; W264-L303 HydrophobicContact CZ3-CD1 3.84Å
265K74.8Confident60.7Low115 Ų11585.8 Ų85.850%0.550%0.5SS..PPolyproline II helixtrans-67.4162159.6-67.4-55.1-156.9-169.80110.5G263 T287 L289G263-K265 PolarHBondContact O-N 2.94Å; K265-T287 VanDerWaalsContact CB-O 3.25Å; K265-T287 WeakPolarHBondContact CB-O 3.45Å; K265-T287 WeakPolarHBondContact CG-O 3.3Å; K265-T287 PolarHBondContact N-O 3.16Å; K265-L289 HydrophobicContact CD-CD1 4.22Å; K265-L289 HydrophobicContact CD-CG 4.37Å; K265-L289 HydrophobicContact CG-CG 4.4Å; K265-L289 VanDerWaalsContact NZ-CD1 3.3Å
266L70.4Confident62.4Low164 Ų16479.8 Ų79.886%0.85949%0.485SS*.PPolyproline II helixtrans-57.7148.5173.3-161.268.6000110.8
267W71.9Confident63.8Low61 Ų6177 Ų7723%0.23145%0.452CS..PPolyproline II helixtrans-61.1143.8173.1-74.3106000112.2R284 T285 R286 V302 E305W267-R284 HydrophobicContact CD2-CG 4.36Å; W267-R284 HydrophobicContact CE3-CB 4.4Å; W267-R284 HydrophobicContact CE3-CG 3.74Å; W267-R284 HydrophobicContact CZ3-CG 4.15Å; W267-T285 VanDerWaalsContact CE3-C 3.41Å; W267-R286 HydrophobicContact CD2-CB 3.97Å; W267-R286 HydrophobicContact CD2-CG 3.94Å; W267-R286 HydrophobicContact CE3-CB 3.77Å; W267-R286 HydrophobicContact CE3-CG 3.76Å; W267-R286 HydrophobicContact CG-CB 4.43Å; W267-R286 HydrophobicContact CH2-CG 3.85Å; W267-R286 HydrophobicContact CZ2-CG 4.03Å; W267-R286 VanDerWaalsContact CZ2-NE 3.28Å; W267-R286 HydrophobicContact CZ3-CB 4.18Å; W267-R286 HydrophobicContact CZ3-CG 3.72Å; W267-V302 HydrophobicContact CH2-CG2 4.06Å; W267-V302 HydrophobicContact CZ2-CG2 4.2Å; W267-E305 HydrophobicContact CH2-CB 3.97Å; W267-E305 HydrophobicContact CZ3-CB 4.16Å
268S63.8Low65.3Low50 Ų5075.3 Ų75.335%0.3543%0.434SS..PPolyproline II helixtrans-61.9163.2166.277.90000110.9T285S268-T285 VanDerWaalsContact CB-O 3.31Å; S268-T285 WeakPolarHBondContact CB-O 3.36Å; S268-T285 PolarHBondContact N-O 3.47Å; S268-T285 PolarHBondContact OG-N 3.46Å; S268-T285 PolarHBondContact OG-O 3.15Å
269L72.1Confident66.4Low164 Ų16467 Ų6786%0.85940%0.403SS*.PPolyproline II helixtrans-59154161.4-61.4177.3000110
270W73.1Confident67.7Low63 Ų6363.8 Ų63.824%0.23937%0.37CS..PPolyproline II helixtrans-65.6132.7173-70.898.3000110.1Q282 T283 R284 E305 R307W270-Q282 HydrophobicContact CE3-CB 4Å; W270-Q282 WeakPolarHBondContact CZ3-O 3.43Å; W270-T283 CarbonylContact C-O 3.05Å; W270-T283 WeakPolarHBondContact CA-O 3.3Å; W270-R284 HydrophobicContact CD2-CB 4.17Å; W270-R284 HydrophobicContact CD2-CG 4.08Å; W270-R284 HydrophobicContact CE3-CB 3.98Å; W270-R284 HydrophobicContact CE3-CG 3.89Å; W270-R284 HydrophobicContact CH2-CG 3.8Å; W270-R284 HydrophobicContact CZ2-CG 4Å; W270-R284 HydrophobicContact CZ3-CB 4.27Å; W270-R284 HydrophobicContact CZ3-CG 3.74Å; W270-E305 HydrophobicContact CH2-CB 4.34Å; W270-E305 HydrophobicContact CH2-CG 3.97Å; W270-R307 HydrophobicContact CD2-CG 4.38Å; W270-R307 HydrophobicContact CE3-CG 3.86Å; W270-R307 HydrophobicContact CH2-CB 3.95Å; W270-R307 HydrophobicContact CH2-CG 3.79Å; W270-R307 HydrophobicContact CZ2-CG 4.29Å; W270-R307 HydrophobicContact CZ3-CB 4.02Å; W270-R307 HydrophobicContact CZ3-CG 3.56Å
271G67.3Low68.4Low22 Ų2263.4 Ų63.423%0.22736%0.363CS..PPolyproline II helixtrans-63.2169171.700000112.4Q282 T283G271-Q282 VanDerWaalsContact O-CD 3.24Å; G271-Q282 WeakPolarHBondContact O-CG 3.39Å; G271-Q282 PolarHBondContact O-NE2 3.23Å; G271-T283 PolarHBondContact N-O 2.93Å
272E68.4Low68.8Low116 Ų11660.4 Ų60.454%0.54233%0.332SS..PPolyproline II helixtrans-63.7151.7174.4-65.7-176.1145.500111.6T274 R323E272-T274 PolarHBondContact O-N 3.13Å; E272-R323 IonicContact OE1-NH1 2.72Å; E272-R323 PolarHBondContact OE1-NH1 3.05Å; E272-R323 IonicContact OE2-CZ 2.77Å; E272-R323 IonicContact OE2-NH1 3.18Å; E272-R323 PolarHBondContact OE2-NH1 3.36Å
273C71Confident69.1Low14 Ų1460.1 Ų60.110%0.09533%0.325CS..PPolyproline II helixtrans-69.2132.1178.1-170.80000110.2R275 Q282 C309 N310C273-R275 PolarHBondContact O-N 2.8Å; C273-R275 PolarHBondContact SG-O 3.33Å; C273-Q282 HydrophobicContact CB-CG 4.08Å; C273-C309 VanDerWaalsContact CA-SG 3.54Å; C273-C309 HydrophobicContact CB-CB 3.85Å; C273-C309 WeakPolarHBondContact CB-SG 3.49Å; C273-C309 WeakPolarHBondContact SG-CB 3.04Å; C273-C309 CovalentContact SG-SG 2.02Å; C273-C309 PolarHBondContact SG-SG 3.16Å; C273-N310 WeakPolarHBondContact CB-ND2 3.03Å; C273-N310 PolarHBondContact SG-ND2 2.91Å
274T66.9Low69.2Low20 Ų2061.5 Ų61.512%0.12332%0.321CS..SBendtrans-61.4-16.6-180540000114.2E272 L281 S322 R323 Q325 L327E272-T274 PolarHBondContact O-N 3.13Å; T274-L281 WeakPolarHBondContact CG2-O 3.11Å; T274-L281 PolarHBondContact N-O 3.47Å; T274-L281 PolarHBondContact OG1-N 3.34Å; T274-L281 PolarHBondContact OG1-O 3Å; T274-S322 CarbonylContact O-C 3.57Å; T274-S322 WeakPolarHBondContact O-CA 3.19Å; T274-R323 WeakPolarHBondContact CA-O 3.29Å; T274-R323 WeakPolarHBondContact CB-O 3.48Å; T274-R323 VanDerWaalsContact CG2-O 3.25Å; T274-R323 WeakPolarHBondContact CG2-O 3.47Å; T274-R323 PolarHBondContact O-N 3.41Å; T274-Q325 HydrophobicContact CG2-CB 4.13Å; T274-L327 HydrophobicContact CG2-CD1 4.24Å
275R65.4Low69Low80 Ų8061.5 Ų61.530%0.30233%0.328SS..BIsolated β-bridgetrans-145.7138.8179.9-57.9-179.667.8-148.75.3111.4C273 C277 G278 G279 N310 S320C273-R275 PolarHBondContact O-N 2.8Å; C273-R275 PolarHBondContact SG-O 3.33Å; R275-C277 VanDerWaalsContact C-N 3.31Å; R275-C277 PolarHBondContact O-N 3.09Å; R275-G278 PolarHBondContact NH1-O 3.31Å; R275-G279 WeakPolarHBondContact CD-O 3.23Å; R275-G279 PolarHBondContact NH1-O 2.88Å; R275-G279 VanDerWaalsContact NH1-O 3.15Å; R275-N310 VanDerWaalsContact O-CB 3.3Å; R275-N310 WeakPolarHBondContact O-CB 3.43Å; R275-N310 PolarHBondContact O-ND2 2.85Å; R275-S320 PolarHBondContact NH2-OG 3.22Å
276D74Confident68.7Low97 Ų9758.1 Ų58.152%0.51931%0.312SS..SBendtrans-76.5-18.2-177.9-56.5-57.1000113.6S321D276-S321 WeakPolarHBondContact OD2-CB 3.2Å; D276-S321 PolarHBondContact OD2-OG 2.04Å
277C76.5Confident68.6Low24 Ų2454.7 Ų54.716%0.16230%0.298CS..SBendtrans-155.4167.8177.359.60000111.3R275 G279 N310 C314R275-C277 VanDerWaalsContact C-N 3.31Å; R275-C277 PolarHBondContact O-N 3.09Å; C277-G279 VanDerWaalsContact C-N 3.33Å; C277-G279 PolarHBondContact O-N 3.38Å; C277-N310 CarbonylContact C-O 3.58Å; C277-C314 HydrophobicContact CB-CB 3.97Å; C277-C314 WeakPolarHBondContact CB-SG 3.33Å; C277-C314 VanDerWaalsContact SG-CA 3.51Å; C277-C314 WeakPolarHBondContact SG-CB 3.26Å; C277-C314 CovalentContact SG-SG 2.04Å; C277-C314 PolarHBondContact SG-SG 3.45Å
278G69.6Low68.7Low36 Ų3653.8 Ų53.837%0.37130%0.301SS..SBendtrans72.921.1173.900000114.8R275 N310 K312R275-G278 PolarHBondContact NH1-O 3.31Å; G278-N310 PolarHBondContact N-O 3.18Å; G278-K312 PolarHBondContact N-O 3.43Å
279G69.2Low69Low25 Ų2555 Ų5526%0.25830%0.302SS..  trans81.2107-177.200000112.5R275 C277 C309 N310R275-G279 WeakPolarHBondContact CD-O 3.23Å; R275-G279 PolarHBondContact NH1-O 2.88Å; R275-G279 VanDerWaalsContact NH1-O 3.15Å; C277-G279 VanDerWaalsContact C-N 3.33Å; C277-G279 PolarHBondContact O-N 3.38Å; G279-C309 WeakPolarHBondContact CA-O 3.31Å; G279-N310 PolarHBondContact N-O 2.81Å
280G68.6Low68.3Low4 Ų451.2 Ų51.24%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-112.6-173.4165.500000111.2L308 C309G280-L308 WeakPolarHBondContact O-CA 3.24Å; G280-C309 PolarHBondContact N-O 2.69Å; G280-C309 PolarHBondContact O-N 3.33Å; G280-C309 PolarHBondContact O-SG 2.99Å; G280-C309 VanDerWaalsContact O-SG 3.42Å
281L67.2Low67.6Low56 Ų5649.9 Ų49.929%0.29329%0.287SS..EExtended strand (participates in β ladder)trans-134.3146.7-178-162.870000109.3T274 R307 L308 C309 L327T274-L281 WeakPolarHBondContact CG2-O 3.11Å; T274-L281 PolarHBondContact N-O 3.47Å; T274-L281 PolarHBondContact OG1-N 3.34Å; T274-L281 PolarHBondContact OG1-O 3Å; L281-R307 CarbonylContact C-O 3.6Å; L281-R307 WeakPolarHBondContact CA-O 3.48Å; L281-R307 WeakPolarHBondContact CD1-O 3Å; L281-L308 HydrophobicContact CD1-CD2 3.81Å; L281-L308 HydrophobicContact CD1-CG 4.17Å; L281-C309 VanDerWaalsContact C-SG 3.53Å; L281-C309 PolarHBondContact N-SG 3.3Å; L281-L327 HydrophobicContact CB-CD1 3.81Å; L281-L327 HydrophobicContact CD2-CB 3.49Å; L281-L327 VanDerWaalsContact CD2-CB 3.49Å; L281-L327 HydrophobicContact CD2-CD1 3.69Å; L281-L327 HydrophobicContact CD2-CD2 3.89Å; L281-L327 HydrophobicContact CD2-CG 3.82Å; L281-L327 HydrophobicContact CG-CB 4.34Å; L281-L327 HydrophobicContact CG-CD1 3.65Å; L281-L327 HydrophobicContact CG-CD2 3.9Å; L281-L327 HydrophobicContact CG-CG 4.12Å
282Q59.8Low67.1Low32 Ų3255.7 Ų55.715%0.1531%0.312CS..EExtended strand (participates in β ladder)trans-125.5135.1177.8-79.3179.8-42.700110.3W270 G271 C273 G306 R307 C309W270-Q282 HydrophobicContact CE3-CB 4Å; W270-Q282 WeakPolarHBondContact CZ3-O 3.43Å; G271-Q282 VanDerWaalsContact O-CD 3.24Å; G271-Q282 WeakPolarHBondContact O-CG 3.39Å; G271-Q282 PolarHBondContact O-NE2 3.23Å; C273-Q282 HydrophobicContact CB-CG 4.08Å; Q282-G306 WeakPolarHBondContact O-CA 3.38Å; Q282-R307 HydrophobicContact CB-CG 4.15Å; Q282-R307 PolarHBondContact N-O 2.72Å; Q282-R307 PolarHBondContact O-N 2.87Å; Q282-R307 VanDerWaalsContact OE1-NE 3.14Å; Q282-C309 HydrophobicContact CG-CB 4.12Å
283T65.8Low66.5Low22 Ų2254.3 Ų54.314%0.13533%0.328CS..EExtended strand (participates in β ladder)trans-85.9156170.342.30000112.2W270 G271 E305 L327W270-T283 CarbonylContact C-O 3.05Å; W270-T283 WeakPolarHBondContact CA-O 3.3Å; G271-T283 PolarHBondContact N-O 2.93Å; T283-E305 CarbonylContact C-O 3.49Å; T283-E305 WeakPolarHBondContact CA-O 3.39Å; T283-L327 HydrophobicContact CG2-CD1 3.88Å; T283-L327 HydrophobicContact CG2-CD2 3.46Å; T283-L327 VanDerWaalsContact CG2-CD2 3.46Å; T283-L327 HydrophobicContact CG2-CG 3.37Å
284R68.4Low65.6Low60 Ų6057.9 Ų57.923%0.22635%0.35CS..EExtended strand (participates in β ladder)trans-141.6156.6142.962.4176.9179.6-177.1-6.1110W267 W270 E304 E305W267-R284 HydrophobicContact CD2-CG 4.36Å; W267-R284 HydrophobicContact CE3-CB 4.4Å; W267-R284 HydrophobicContact CE3-CG 3.74Å; W267-R284 HydrophobicContact CZ3-CG 4.15Å; W270-R284 HydrophobicContact CD2-CB 4.17Å; W270-R284 HydrophobicContact CD2-CG 4.08Å; W270-R284 HydrophobicContact CE3-CB 3.98Å; W270-R284 HydrophobicContact CE3-CG 3.89Å; W270-R284 HydrophobicContact CH2-CG 3.8Å; W270-R284 HydrophobicContact CZ2-CG 4Å; W270-R284 HydrophobicContact CZ3-CB 4.27Å; W270-R284 HydrophobicContact CZ3-CG 3.74Å; R284-E304 WeakPolarHBondContact O-CA 3.31Å; R284-E305 HydrophobicContact CG-CB 4.11Å; R284-E305 IonicContact CZ-OE2 3.48Å; R284-E305 PolarHBondContact N-O 3.16Å; R284-E305 IonicContact NE-OE2 3.44Å; R284-E305 PolarHBondContact NE-OE2 3.22Å; R284-E305 IonicContact NH2-OE1 2.72Å; R284-E305 IonicContact NH2-OE2 3.92Å; R284-E305 PolarHBondContact NH2-OE2 2.98Å; R284-E305 PolarHBondContact O-N 3.4Å
285T64.2Low64.7Low66 Ų6666.4 Ų66.441%0.40539%0.388SS..EExtended strand (participates in β ladder)trans-129.4159.7-179.453.20000111.4W267 S268 L303 E304W267-T285 VanDerWaalsContact CE3-C 3.41Å; S268-T285 VanDerWaalsContact CB-O 3.31Å; S268-T285 WeakPolarHBondContact CB-O 3.36Å; S268-T285 PolarHBondContact N-O 3.47Å; S268-T285 PolarHBondContact OG-N 3.46Å; S268-T285 PolarHBondContact OG-O 3.15Å; T285-L303 CarbonylContact C-O 3.45Å; T285-L303 VanDerWaalsContact CA-O 3.31Å; T285-L303 WeakPolarHBondContact CA-O 3.31Å; T285-E304 HydrophobicContact CG2-CB 4.09Å; T285-E304 HydrophobicContact CG2-CG 3.9Å
286R68.7Low64Low45 Ų4566.6 Ų66.617%0.1742%0.415CS..  trans-137.3159.1170.258.6175.5175173.53.5110.3W264 W267 V302 L303W264-R286 HydrophobicContact CD2-CG 4.21Å; W264-R286 HydrophobicContact CE3-CB 4.38Å; W264-R286 HydrophobicContact CE3-CG 3.57Å; W264-R286 HydrophobicContact CZ3-CG 3.82Å; W267-R286 HydrophobicContact CD2-CB 3.97Å; W267-R286 HydrophobicContact CD2-CG 3.94Å; W267-R286 HydrophobicContact CE3-CB 3.77Å; W267-R286 HydrophobicContact CE3-CG 3.76Å; W267-R286 HydrophobicContact CG-CB 4.43Å; W267-R286 HydrophobicContact CH2-CG 3.85Å; W267-R286 HydrophobicContact CZ2-CG 4.03Å; W267-R286 VanDerWaalsContact CZ2-NE 3.28Å; W267-R286 HydrophobicContact CZ3-CB 4.18Å; W267-R286 HydrophobicContact CZ3-CG 3.72Å; R286-V302 VanDerWaalsContact CZ-O 3.3Å; R286-V302 PolarHBondContact NE-O 2.83Å; R286-V302 PolarHBondContact NH2-O 2.67Å; R286-L303 PolarHBondContact N-O 3.12Å; R286-L303 WeakPolarHBondContact O-CD1 3.19Å
287T69.4Low62.8Low92 Ų9262.8 Ų62.856%0.56440%0.399SS*.  trans-108.9136.3-178.2-48.10000110.4K265K265-T287 VanDerWaalsContact CB-O 3.25Å; K265-T287 WeakPolarHBondContact CB-O 3.45Å; K265-T287 WeakPolarHBondContact CG-O 3.3Å; K265-T287 PolarHBondContact N-O 3.16Å
288C73.8Confident61.9Low42 Ų4264.4 Ų64.428%0.28442%0.42SS..EExtended strand (participates in β ladder)trans-85.8132.7170.2176.70000110.3W264 C299W264-C288 HydrophobicContact CE3-CB 3.94Å; W264-C288 HydrophobicContact CH2-CB 4.26Å; W264-C288 HydrophobicContact CZ3-CB 3.74Å; C288-C299 WeakPolarHBondContact CA-SG 3.2Å; C288-C299 HydrophobicContact CB-CB 3.67Å; C288-C299 WeakPolarHBondContact CB-SG 3.48Å; C288-C299 WeakPolarHBondContact SG-CB 3.31Å; C288-C299 PolarHBondContact SG-N 2.99Å; C288-C299 CovalentContact SG-SG 2.03Å; C288-C299 PolarHBondContact SG-SG 3.14Å
289L69.4Low61.5Low74 Ų7463.9 Ų63.939%0.38741%0.41SS..EExtended strand (participates in β ladder)trans-99.6123.9160.5-75.8-173.7000109.4G262 G263 K265G262-L289 CarbonylContact C-O 3.51Å; G262-L289 VanDerWaalsContact CA-O 3.26Å; G262-L289 WeakPolarHBondContact CA-O 3.16Å; G263-L289 PolarHBondContact N-O 2.75Å; G263-L289 PolarHBondContact O-N 2.98Å; K265-L289 HydrophobicContact CD-CD1 4.22Å; K265-L289 HydrophobicContact CD-CG 4.37Å; K265-L289 HydrophobicContact CG-CG 4.4Å; K265-L289 VanDerWaalsContact NZ-CD1 3.3Å
290P57.6Low61Low86 Ų8671.6 Ų71.656%0.55844%0.439SS*.PPolyproline II helixtrans-70.3144.9174.529.5-33.9000111.4L292P290-L292 PolarHBondContact O-N 2.77Å
291T57.8Low60.3Low34 Ų3474.1 Ų74.121%0.20947%0.465CS..  trans-69110.6167.922.40000109.5G293 V294 G297T291-G293 PolarHBondContact O-N 2.7Å; T291-V294 PolarHBondContact O-N 3.25Å; T291-G297 PolarHBondContact N-O 3.5Å; T291-G297 WeakPolarHBondContact OG1-CA 3.39Å; T291-G297 PolarHBondContact OG1-O 2.79Å
292L58.1Low59.5Low145 Ų14573.9 Ų73.976%0.75947%0.466SS*.THydrogen-bonded Turntrans-56.6122.5169.2-64.6176.5000109.4S260 P290S260-L292 WeakPolarHBondContact CB-O 3.15Å; S260-L292 PolarHBondContact OG-N 3.31Å; S260-L292 PolarHBondContact OG-O 3.21Å; P290-L292 PolarHBondContact O-N 2.77Å
293G56Low59.5Low86 Ų8677 Ų7789%0.88748%0.483SS*.THydrogen-bonded Turntrans101.1-3.4178.900000116.4T291T291-G293 PolarHBondContact O-N 2.7Å
294V50.4Low59.1Low89 Ų8977.5 Ų77.554%0.53948%0.484SS..  trans-120.5108.5177.4-176.30000110.7T291 G296 G297T291-V294 PolarHBondContact O-N 3.25Å; V294-G296 PolarHBondContact O-N 3.09Å; V294-G297 PolarHBondContact O-N 3.31Å
295E48.5Very low59.1Low200 Ų20077.4 Ų77.494%0.93549%0.486SS*.THydrogen-bonded Turntrans-59.4127.3165.1-76.8-115.2118.300109.3G297E295-G297 VanDerWaalsContact C-N 3.35Å
296G51.4Low59.1Low83 Ų8375.4 Ų75.486%0.85648%0.479SS*.THydrogen-bonded Turntrans82.93.6-17400000115.3V294 G298V294-G296 PolarHBondContact O-N 3.09Å; G296-G298 PolarHBondContact O-N 3.03Å
297G48.9Very low59Low18 Ų1878.4 Ų78.419%0.18649%0.49CS..  trans-69.243.5175.300000115.6T291 V294 E295T291-G297 PolarHBondContact N-O 3.5Å; T291-G297 WeakPolarHBondContact OG1-CA 3.39Å; T291-G297 PolarHBondContact OG1-O 2.79Å; V294-G297 PolarHBondContact O-N 3.31Å; E295-G297 VanDerWaalsContact C-N 3.35Å
298G57.3Low58.9Low58 Ų5879 Ų7960%0.59849%0.489SS*.PPolyproline II helixtrans-87.5156.4175.800000112.4G296G296-G298 PolarHBondContact O-N 3.03Å
299C60.9Low58.7Low24 Ų2477.6 Ų77.616%0.16248%0.48CS..PPolyproline II helixtrans-84.6119.4-175.8-44.10000111.1G263 W264 C288G263-C299 PolarHBondContact O-SG 2.77Å; G263-C299 VanDerWaalsContact O-SG 3.36Å; W264-C299 HydrophobicContact CD2-CB 3.44Å; W264-C299 VanDerWaalsContact CD2-CB 3.44Å; W264-C299 HydrophobicContact CE3-CB 4.04Å; W264-C299 HydrophobicContact CG-CB 3.68Å; W264-C299 HydrophobicContact CH2-CB 4.34Å; W264-C299 HydrophobicContact CZ2-CB 3.78Å; W264-C299 WeakPolarHBondContact CZ2-O 3.47Å; W264-C299 HydrophobicContact CZ3-CB 4.45Å; W264-C299 PolarHBondContact N-SG 2.98Å; W264-C299 VanDerWaalsContact N-SG 3.45Å; C288-C299 WeakPolarHBondContact CA-SG 3.2Å; C288-C299 HydrophobicContact CB-CB 3.67Å; C288-C299 WeakPolarHBondContact CB-SG 3.48Å; C288-C299 WeakPolarHBondContact SG-CB 3.31Å; C288-C299 PolarHBondContact SG-N 2.99Å; C288-C299 CovalentContact SG-SG 2.03Å; C288-C299 PolarHBondContact SG-SG 3.14Å
300E59.3Low59Low188 Ų18877.5 Ų77.588%0.87948%0.48SS*.PPolyproline II helixtrans-77.8132-177.9-168.1178.3176.200112.2W264W264-E300 PolarHBondContact NE1-O 2.96Å
301G53.5Low59.8Low56 Ų5682.4 Ų82.458%0.57749%0.487SS*.SBendtrans116.6-166.4179.600000113.9W264W264-G301 WeakPolarHBondContact CZ2-O 3.25Å
302V49.6Very low60.7Low52 Ų5289.4 Ų89.432%0.31551%0.514SS..  trans-89.1141.5-166.7-59.60000113W267 R286 T330W267-V302 HydrophobicContact CH2-CG2 4.06Å; W267-V302 HydrophobicContact CZ2-CG2 4.2Å; R286-V302 VanDerWaalsContact CZ-O 3.3Å; R286-V302 PolarHBondContact NE-O 2.83Å; R286-V302 PolarHBondContact NH2-O 2.67Å; V302-T330 HydrophobicContact CG1-CG2 3.73Å; V302-T330 VanDerWaalsContact CG1-OG1 3.27Å; V302-T330 WeakPolarHBondContact CG1-OG1 3.45Å
303L59.7Low61.4Low97 Ų9786.9 Ų86.951%0.50851%0.514SS..SBendtrans-81.9-30.1179-173.376.3000112.7W264 T285 R286W264-L303 HydrophobicContact CH2-CB 4.38Å; W264-L303 HydrophobicContact CH2-CD1 4.02Å; W264-L303 HydrophobicContact CZ3-CD1 3.84Å; T285-L303 CarbonylContact C-O 3.45Å; T285-L303 VanDerWaalsContact CA-O 3.31Å; T285-L303 WeakPolarHBondContact CA-O 3.31Å; R286-L303 PolarHBondContact N-O 3.12Å; R286-L303 WeakPolarHBondContact O-CD1 3.19Å
304E58.8Low62.5Low33 Ų3385 Ų8515%0.15449%0.487CS..EExtended strand (participates in β ladder)trans-139.4140.4-169.8-173.6-176.5150.800108.7R284 T285 R328R284-E304 WeakPolarHBondContact O-CA 3.31Å; T285-E304 HydrophobicContact CG2-CB 4.09Å; T285-E304 HydrophobicContact CG2-CG 3.9Å; E304-R328 HydrophobicContact CG-CB 4.39Å; E304-R328 PolarHBondContact OE1-N 2.93Å
305E67.1Low63.9Low57 Ų5782.8 Ų82.827%0.26648%0.482SS..EExtended strand (participates in β ladder)trans-129.9140.8178.2-171.5-168.4159.500109.7W267 W270 T283 R284W267-E305 HydrophobicContact CH2-CB 3.97Å; W267-E305 HydrophobicContact CZ3-CB 4.16Å; W270-E305 HydrophobicContact CH2-CB 4.34Å; W270-E305 HydrophobicContact CH2-CG 3.97Å; T283-E305 CarbonylContact C-O 3.49Å; T283-E305 WeakPolarHBondContact CA-O 3.39Å; R284-E305 HydrophobicContact CG-CB 4.11Å; R284-E305 IonicContact CZ-OE2 3.48Å; R284-E305 PolarHBondContact N-O 3.16Å; R284-E305 IonicContact NE-OE2 3.44Å; R284-E305 PolarHBondContact NE-OE2 3.22Å; R284-E305 IonicContact NH2-OE1 2.72Å; R284-E305 IonicContact NH2-OE2 3.92Å; R284-E305 PolarHBondContact NH2-OE2 2.98Å; R284-E305 PolarHBondContact O-N 3.4Å
306G65.3Low64.9Low25 Ų2580.1 Ų80.126%0.25848%0.482SS..EExtended strand (participates in β ladder)trans-124133-177.700000112.9Q282 L327Q282-G306 WeakPolarHBondContact O-CA 3.38Å; G306-L327 VanDerWaalsContact CA-CD2 3.46Å
307R66.9Low65.4Low108 Ų10882.8 Ų82.841%0.40848%0.482SS..EExtended strand (participates in β ladder)trans-132.9148.517775.8178-174.4-179.11.1113.6W270 L281 Q282W270-R307 HydrophobicContact CD2-CG 4.38Å; W270-R307 HydrophobicContact CE3-CG 3.86Å; W270-R307 HydrophobicContact CH2-CB 3.95Å; W270-R307 HydrophobicContact CH2-CG 3.79Å; W270-R307 HydrophobicContact CZ2-CG 4.29Å; W270-R307 HydrophobicContact CZ3-CB 4.02Å; W270-R307 HydrophobicContact CZ3-CG 3.56Å; L281-R307 CarbonylContact C-O 3.6Å; L281-R307 WeakPolarHBondContact CA-O 3.48Å; L281-R307 WeakPolarHBondContact CD1-O 3Å; Q282-R307 HydrophobicContact CB-CG 4.15Å; Q282-R307 PolarHBondContact N-O 2.72Å; Q282-R307 PolarHBondContact O-N 2.87Å; Q282-R307 VanDerWaalsContact OE1-NE 3.14Å
308L66.2Low65.6Low104 Ų10483.9 Ų83.955%0.54549%0.494SS..EExtended strand (participates in β ladder)trans-75.3135.3177-69.5169.4000112.7G280 L281G280-L308 WeakPolarHBondContact O-CA 3.24Å; L281-L308 HydrophobicContact CD1-CD2 3.81Å; L281-L308 HydrophobicContact CD1-CG 4.17Å
309C70.6Confident65.6Low13 Ų1392.8 Ų92.89%0.08851%0.509CS..EExtended strand (participates in β ladder)trans-130.6168.3-179.251.70000111.5C273 G279 G280 L281 Q282 R311C273-C309 VanDerWaalsContact CA-SG 3.54Å; C273-C309 HydrophobicContact CB-CB 3.85Å; C273-C309 WeakPolarHBondContact CB-SG 3.49Å; C273-C309 WeakPolarHBondContact SG-CB 3.04Å; C273-C309 CovalentContact SG-SG 2.02Å; C273-C309 PolarHBondContact SG-SG 3.16Å; G279-C309 WeakPolarHBondContact CA-O 3.31Å; G280-C309 PolarHBondContact N-O 2.69Å; G280-C309 PolarHBondContact O-N 3.33Å; G280-C309 PolarHBondContact O-SG 2.99Å; G280-C309 VanDerWaalsContact O-SG 3.42Å; L281-C309 VanDerWaalsContact C-SG 3.53Å; L281-C309 PolarHBondContact N-SG 3.3Å; Q282-C309 HydrophobicContact CG-CB 4.12Å; C309-R311 VanDerWaalsContact C-N 3.34Å; C309-R311 PolarHBondContact O-N 2.76Å; C309-R311 VanDerWaalsContact O-N 3.16Å
310N75.5Confident65.3Low72 Ų7294.1 Ų94.139%0.38552%0.519SS..  trans47.347.2172.9-63.7-12.4000115.4C273 R275 C277 G278 G279 K312C273-N310 WeakPolarHBondContact CB-ND2 3.03Å; C273-N310 PolarHBondContact SG-ND2 2.91Å; R275-N310 VanDerWaalsContact O-CB 3.3Å; R275-N310 WeakPolarHBondContact O-CB 3.43Å; R275-N310 PolarHBondContact O-ND2 2.85Å; C277-N310 CarbonylContact C-O 3.58Å; G278-N310 PolarHBondContact N-O 3.18Å; G279-N310 PolarHBondContact N-O 2.81Å; N310-K312 PolarHBondContact O-N 2.79Å
311R74.9Confident65.1Low188 Ų18887.4 Ų87.471%0.70949%0.493SS*.  trans-68.7-8.3-176.4-57.7-174.4-172.1-171.22.1115.1C309C309-R311 VanDerWaalsContact C-N 3.34Å; C309-R311 PolarHBondContact O-N 2.76Å; C309-R311 VanDerWaalsContact O-N 3.16Å
312K76.5Confident64.9Low182 Ų18288.6 Ų88.679%0.79149%0.492SS*.SBendtrans-65.8134.9177.2-66.3-175.4178.4-178.20109.5G278 N310G278-K312 PolarHBondContact N-O 3.43Å; N310-K312 PolarHBondContact O-N 2.79Å
313A73.1Confident64.9Low91 Ų9192.8 Ų92.875%0.75250%0.503SS*.PPolyproline II helixtrans-57.3143.3177.600000111.3
314C77.2Confident63.9Low47 Ų4794 Ų9432%0.31852%0.519SS..PPolyproline II helixtrans-67.3132.9171.3-61.60000109.5C277C277-C314 HydrophobicContact CB-CB 3.97Å; C277-C314 WeakPolarHBondContact CB-SG 3.33Å; C277-C314 VanDerWaalsContact SG-CA 3.51Å; C277-C314 WeakPolarHBondContact SG-CB 3.26Å; C277-C314 CovalentContact SG-SG 2.04Å; C277-C314 PolarHBondContact SG-SG 3.45Å
315G80.6Confident62.9Low43 Ų4397 Ų9744%0.44353%0.533SS..PPolyproline II helixtrans-65.8160.3173.500000112T317 G318G315-T317 PolarHBondContact O-N 3.36Å; G315-G318 PolarHBondContact O-N 2.03Å
316P69.2Low61.2Low143 Ų143100 Ų10093%0.92956%0.56SS**THydrogen-bonded Turntrans-62.2-13-173.224.8-35000114.9
317T61.6Low59.7Low139 Ų139100.9 Ų100.985%0.85356%0.559SS**THydrogen-bonded Turntrans-114.23.9177.550.80000113.6G315 R319G315-T317 PolarHBondContact O-N 3.36Å; T317-R319 PolarHBondContact O-N 2.97Å
318G53.3Low58.3Low42 Ų42104.6 Ų104.643%0.43357%0.573SS.*  trans-82.8108.7-175.300000113.5G315 S320G315-G318 PolarHBondContact O-N 2.03Å; G318-S320 PolarHBondContact O-N 2.78Å
319R57.5Low56.5Low244 Ų244102.3 Ų102.392%0.92157%0.566SS**  trans-63.3113.4167-82.7178.8153.8-173.8-7.2110T317 S321T317-R319 PolarHBondContact O-N 2.97Å; R319-S321 PolarHBondContact O-N 3.2Å
320S54.6Low54.4Low52 Ų52105.9 Ų105.936%0.36459%0.587SS.*  trans-66.799.8173.2177.80000110R275 G318 S322R275-S320 PolarHBondContact NH2-OG 3.22Å; G318-S320 PolarHBondContact O-N 2.78Å; S320-S322 PolarHBondContact O-N 3.36Å
321S55.1Low52.3Low48 Ų48109.8 Ų109.834%0.33661%0.608SS.*  trans-71123.7162.5121.40000108D276 R319D276-S321 WeakPolarHBondContact OD2-CB 3.2Å; D276-S321 PolarHBondContact OD2-OG 2.04Å; R319-S321 PolarHBondContact O-N 3.2Å
322S49.2Very low50Low81 Ų81105.4 Ų105.457%0.56661%0.612SS**BIsolated β-bridgetrans-118.499.7-179.9-67.10000108.3T274 S320 S324T274-S322 CarbonylContact O-C 3.57Å; T274-S322 WeakPolarHBondContact O-CA 3.19Å; S320-S322 PolarHBondContact O-N 3.36Å; S322-S324 PolarHBondContact O-N 2.79Å
323R50.4Low47.9Very low140 Ų140103 Ų10353%0.52860%0.598SS.*  trans-83.3106.1172.2-67.3-175.7-177.7-170.2-0.3107.9E272 T274 Q325E272-R323 IonicContact OE1-NH1 2.72Å; E272-R323 PolarHBondContact OE1-NH1 3.05Å; E272-R323 IonicContact OE2-CZ 2.77Å; E272-R323 IonicContact OE2-NH1 3.18Å; E272-R323 PolarHBondContact OE2-NH1 3.36Å; T274-R323 WeakPolarHBondContact CA-O 3.29Å; T274-R323 WeakPolarHBondContact CB-O 3.48Å; T274-R323 VanDerWaalsContact CG2-O 3.25Å; T274-R323 WeakPolarHBondContact CG2-O 3.47Å; T274-R323 PolarHBondContact O-N 3.41Å; R323-Q325 PolarHBondContact O-N 2.89Å; R323-Q325 VanDerWaalsContact O-N 3.09Å
324S37.5Very low45.8Very low121 Ų121107.9 Ų107.985%0.84660%0.597SS**  trans-71.5102.7-179.155.10000111.2S322S322-S324 PolarHBondContact O-N 2.79Å
325Q39.5Very low43.7Very low96 Ų96114.2 Ų114.245%0.44961%0.614SS.*  trans-116.9120.4160.1-65.9-1691.800108.4T274 R323T274-Q325 HydrophobicContact CG2-CB 4.13Å; R323-Q325 PolarHBondContact O-N 2.89Å; R323-Q325 VanDerWaalsContact O-N 3.09Å
326S30.7Very low41.3Very low120 Ų120117.7 Ų117.784%0.83962%0.619SS**  trans-62.8141.5173.2-60.40000109.6
327L33.8Very low39.6Very low45 Ų45118.1 Ų118.124%0.23661%0.608CS.*  trans-135.2123-169.6-107.4133.4000112.2T274 L281 T283 G306T274-L327 HydrophobicContact CG2-CD1 4.24Å; L281-L327 HydrophobicContact CB-CD1 3.81Å; L281-L327 HydrophobicContact CD2-CB 3.49Å; L281-L327 VanDerWaalsContact CD2-CB 3.49Å; L281-L327 HydrophobicContact CD2-CD1 3.69Å; L281-L327 HydrophobicContact CD2-CD2 3.89Å; L281-L327 HydrophobicContact CD2-CG 3.82Å; L281-L327 HydrophobicContact CG-CB 4.34Å; L281-L327 HydrophobicContact CG-CD1 3.65Å; L281-L327 HydrophobicContact CG-CD2 3.9Å; L281-L327 HydrophobicContact CG-CG 4.12Å; T283-L327 HydrophobicContact CG2-CD1 3.88Å; T283-L327 HydrophobicContact CG2-CD2 3.46Å; T283-L327 VanDerWaalsContact CG2-CD2 3.46Å; T283-L327 HydrophobicContact CG2-CG 3.37Å; G306-L327 VanDerWaalsContact CA-CD2 3.46Å
328R36.8Very low38.2Very low185 Ų185119.9 Ų119.970%0.69860%0.604SS**  trans-99.7140.3166-62175.8155.3150.7-5.6109.3E304E304-R328 HydrophobicContact CG-CB 4.39Å; E304-R328 PolarHBondContact OE1-N 2.93Å
329S28.4Very low37.1Very low57 Ų57121.4 Ų121.440%0.39962%0.62SS.*  trans-176.3121.3144.5178.20000111
330T27.5Very low35.8Very low87 Ų87116 Ų11653%0.53461%0.61SS.*  trans-2.9148.5132320000121.1V302V302-T330 HydrophobicContact CG1-CG2 3.73Å; V302-T330 VanDerWaalsContact CG1-OG1 3.27Å; V302-T330 WeakPolarHBondContact CG1-OG1 3.45Å
331D30.3Very low34.7Very low154 Ų154121 Ų12182%0.82463%0.627SS**  trans-46.6156.3176.5-78.4-89.8000120.3
332A27.9Very low33.6Very low96 Ų96124.5 Ų124.579%0.79364%0.642SS**  -171.2107.2117.800000114.9
333R31.7Very low32.7Very low133 Ų133128.1 Ų128.150%0.50265%0.65SS.*  trans41.4131.4132.2-76.4-173.6167.2-161.4-12.9124.4D219D219-R333 IonicContact OD1-CZ 3.48Å; D219-R333 IonicContact OD1-NH1 2.66Å; D219-R333 PolarHBondContact OD1-NH1 3.25Å; D219-R333 IonicContact OD1-NH2 2.83Å; D219-R333 PolarHBondContact OD1-NH2 3.34Å; D219-R333 IonicContact OD2-CZ 3.97Å; D219-R333 IonicContact OD2-NH1 2.87Å; D219-R333 PolarHBondContact OD2-NH1 3.17Å; D219-R333 IonicContact OD2-NH2 2.72Å; D219-R333 PolarHBondContact OD2-NH2 3.42Å
334R28.8Very low31.6Very low192 Ų192128.4 Ų128.473%0.72566%0.657SS**  trans70.7135.3133.2-144.5-165.3-83.4-175.4-5.3115.9
335R33.6Very low31Very low181 Ų181131.3 Ų131.368%0.68366%0.655SS**  -178.3150.951.6-160.5168.7-164.4-127-1.5112.8
336E29Very low30.3Very low115 Ų115130.4 Ų130.454%0.53767%0.671SS.*  trans65.3109.4148.3-82.7152-160.300125.4
337E34.1Very low30.2Very low152 Ų152134.4 Ų134.471%0.7167%0.674SS**  89.2134.8108.8-81.3-170.4142.300126.3
338F32.4Very low30.5Very low176 Ų176137.4 Ų137.477%0.77270%0.696SS**  trans60.4133.4148.7-87.7-84.6000124
339G29.5Very low30Very low74 Ų74133.9 Ų133.976%0.76370%0.699SS**  trans168116.7171.100000109.9
340D31.3Very low30.5Very low132 Ų132136.4 Ų136.471%0.70672%0.715SS**  trans-88.6162.2-158.9-98.9-52000117.7
341E32Very low30.6Very low155 Ų155140.3 Ų140.372%0.72473%0.727SS**  trans64.9132.3143.1-79.9-164.7108.500125.7
342L31.6Very low30.5Very low123 Ų123139.4 Ų139.464%0.64473%0.727SS**  trans81.8128.4134.8-71.5168.7000123.4
343Q28.7Very low30.6Very low157 Ų157138.4 Ų138.473%0.73473%0.725SS**  trans92.2108.2133.3-84.1170.118.400122.5
344Q28.3Very low30.5Very low145 Ų145140.6 Ų140.668%0.67875%0.746SS**  93.5110.1113.9-138.969.7-7.200121.1
345F25.5Very low30.7Very low183 Ų183138.4 Ų138.480%0.80375%0.749SS**  trans42.8134.1140.8-73.1-114.6000122.5
346G25.3Very low31.3Very low76 Ų76134.7 Ų134.778%0.78475%0.748SS**  trans178.7112.2157.700000114.1
347F27Very low31.3Very low205 Ų205136.6 Ų136.690%0.89976%0.757SS**  trans-91.6173.2177.3-92-90.3000112.1
348P40.6Very low31.1Very low108 Ų108134.7 Ų134.770%0.70176%0.756SS**  trans-116.7-154.8-144.446.3-41.4000115.7
349S26.6Very low31Very low110 Ų110131.8 Ų131.877%0.76975%0.752SS**  trans102.6161.4165.284.10000115.3
350P39Very low31Very low111 Ų111135.5 Ų135.572%0.72175%0.75SS**  cis-135.9154.610.540.8-22.7000119.5
351Q28.9Very low30.9Very low169 Ų169136.8 Ų136.879%0.7975%0.752SS**  trans33.7125.6136-49.6-64.214.600123.2
352T28.1Very low30.8Very low135 Ų135137 Ų13783%0.82876%0.757SS**  trans-34.9158.4143.630.70000118.1
353G30.3Very low30.5Very low74 Ų74142.6 Ų142.676%0.76377%0.77SS**  134.6123.5122.800000116.3
354L30.9Very low30.6Very low180 Ų180140.9 Ų140.994%0.94278%0.775SS**  trans-86143.3164.4-68.7100.9000110.6
355D31Very low30.4Very low146 Ų146137.3 Ų137.378%0.78178%0.777SS**  trans-96.1157.8158.1-137.1-19.7000107.5
356P46.3Very low31.4Very low103 Ų103133.7 Ų133.767%0.66977%0.772SS**  -153.5160.767.737.4-16.3000117.6
357Q29.2Very low31.6Very low154 Ų154138.9 Ų138.972%0.7278%0.775SS**  159.2124116.2-80.1-92-37.400113.3
358V30.1Very low31.8Very low112 Ų112132.3 Ų132.368%0.67977%0.765SS**  trans49.5120.8134.9-171.70000117.8
359T30Very low31.3Very low115 Ų115133 Ų13371%0.70677%0.767SS**  -166.1158.285.8-500000112.5
360Q30.7Very low31.4Very low153 Ų153138.7 Ų138.772%0.71577%0.774SS**  trans-17159.7163.2-57.8172.2-10.800118.7
361Q28.8Very low30.9Very low159 Ų159137.4 Ų137.474%0.74377%0.772SS**  cis-170.6176.524.7-137150.610.400111.9
362L29Very low31.5Very low158 Ų158134.6 Ų134.683%0.82777%0.768SS**  trans109.376.8159.9-62.3168.1000120.4
363R27Very low31.6Very low242 Ų242134.6 Ų134.691%0.91377%0.768SS**  36.9107.6111.7-152.7-177.7-155.3-177.85.7119.3
364S29.6Very low32.4Very low120 Ų120136.3 Ų136.384%0.83977%0.766SS**  -172.1131.9123.835.50000112.1
365G25.6Very low32.5Very low70 Ų70132.1 Ų132.172%0.72276%0.757SS**  trans-101.8-156.1157.400000109.3
366P44.6Very low32.6Very low107 Ų107130.9 Ų130.970%0.69575%0.754SS**  cis-138.7-178.6826.6-1.4000115.7
367H31.4Very low32Very low185 Ų185137.4 Ų137.486%0.85677%0.766SS**  trans135.1136.6138.7-75.6-72.9000117.2
368G30.4Very low32.3Very low67 Ų67134.7 Ų134.769%0.69177%0.77SS**  trans80.587.5166.300000115.1
369V29.8Very low32.2Very low122 Ų122133.3 Ų133.374%0.73978%0.778SS**  59.993.557.2-1660000113.7
370Y28.6Very low32.6Very low231 Ų231139.4 Ų139.491%0.90679%0.788SS**  -175.3157.9112.4-103.9-74.5000111.5
371A28.9Very low33.4Very low84 Ų84138.2 Ų138.269%0.69479%0.793SS**  trans-124.1-167.1-178.800000109.1
372P41.8Very low33.7Very low109 Ų109134.8 Ų134.871%0.70879%0.792SS**  -136.2168.5-65.539.4-24000115.4
373V29.7Very low35.3Very low135 Ų135133.1 Ų133.182%0.81879%0.791SS**  trans55.7-179.5163.8-108.30000118.4
374P46.7Very low35.6Very low111 Ų111126.4 Ų126.472%0.72179%0.787SS**  cis-131.2155.3-36.631-12.2000116.6
375A33.1Very low35.7Very low92 Ų92126.6 Ų126.676%0.7679%0.789SS**  trans32.1156.8137.300000126.6
376V33.7Very low36.2Very low119 Ų119127.6 Ų127.672%0.72179%0.79SS**  trans129.3120.71331780000118.9
377R34.2Very low35.4Very low241 Ų241129 Ų12991%0.90980%0.801SS**  trans67.6159.5152.9-83.8172.5177.6162.2-1.4120.9
378A33.8Very low35.4Very low97 Ų97129 Ų12980%0.80280%0.801SS**  cis-156.9163.2-6.100000111.5
379G29.6Very low36.5Very low82 Ų82130.3 Ų130.385%0.84580%0.797SS**  trans17098166.100000115.8
380R37.2Very low36.7Very low244 Ų244135.5 Ų135.592%0.92180%0.804SS**  trans-128.5155.8163.8-109.4-172.3-173.3-170.83.7106.2
381P47.1Very low36.8Very low127 Ų127130.7 Ų130.783%0.82580%0.798SS**  -145.4-170.157.837-14.6000116.2
382A35.5Very low37.1Very low88 Ų88132.5 Ų132.573%0.72780%0.801SS**  trans-115.1-158.6178.100000109.1
383P62.2Low36.7Very low123 Ų123135.7 Ų135.780%0.79981%0.811SS**  cis-144-156.5-1.643.9-22.1000115.9
384A34.5Very low37Very low101 Ų101134.1 Ų134.184%0.83581%0.805SS**  trans87.814117100000116.4
385S32.1Very low36.6Very low124 Ų124133.1 Ų133.187%0.86781%0.807SS**  cis-144.417214.757.10000113.1
386A34.8Very low36.8Very low91 Ų91134.4 Ų134.475%0.75281%0.805SS**  trans-126.1157.3176.900000111.2
387C27.9Very low36.9Very low136 Ų136135.7 Ų135.792%0.91981%0.808SS**  trans169.4161.6135.8-93.70000114.7
388H32.1Very low37.2Very low184 Ų184136 Ų13685%0.85283%0.826SS**  trans-117.5-159.7-177-125.925.7000107.6
389P53.5Low37.3Very low96 Ų96138 Ų13862%0.62383%0.828SS**  cis-142.4-164-27.534.1-10.4000115.3
390R33.8Very low37.7Very low231 Ų231140.9 Ų140.987%0.87283%0.827SS**  trans76.7154.6159.8-62.5178.2170.4-177-3.4117.8
391T31.3Very low37.8Very low130 Ų130135.2 Ų135.280%0.79882%0.822SS**  cis-151.4164.720.3-33.10000114.8
392V35.1Very low37.2Very low122 Ų122135.7 Ų135.774%0.73982%0.821SS**  trans-49.4152.9176.1-179.10000118.3
393L32.8Very low37.3Very low176 Ų176138.7 Ų138.792%0.92183%0.827SS**  trans-151.8152.3139.7-115.9156000112
394S35.5Very low35.7Very low101 Ų101139.7 Ų139.771%0.70683%0.829SS**  trans-147.9139.9-172.5-177.20000111.1
395A38.1Very low35.8Very low91 Ų91142.5 Ų142.575%0.75283%0.829SS**  trans-164.3126164.100000106.4
396V38.3Very low36Very low119 Ų119143.9 Ų143.972%0.72183%0.826SS**  cis85.3111.248178.50000112.9
397D34.4Very low36.1Very low146 Ų146148.3 Ų148.378%0.78183%0.832SS**  trans37.4123153.8-52-22.2000122.3
398L40.8Very low36.9Very low248 Ų248149.5 Ų149.5100%1.29882%0.824SS**  -165.10112.1-104.9160.7000112.3

Retrieved 398 of 398 residues in 220 ms (Link to these results)