A0A5K4FDW7_SCHMA Loading...

Calmodulin

AlphaFold DB , UniProt , Accession A0A5K4FDW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 173 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
1M46.3Very low41.7Very low246 Ų246147.1 Ų147.1100%1.21279%0.787SS**  0960-73.9177.9153.300107.1
2S44.9Very low42.1Very low119 Ų119149.8 Ų149.883%0.83279%0.791SS**  trans-138.993.3173.4-61.90000107
3S42.3Very low43Very low119 Ų119141.5 Ų141.583%0.83275%0.75SS**  trans-63.9129.7169.7-61.30000108.4R5S3-R5 PolarHBondContact O-N 2.71Å
4P46.2Very low44.7Very low121 Ų121135.1 Ų135.179%0.78672%0.723SS**  trans-65.9133.8171.1-1428.8000108.9E6P4-E6 PolarHBondContact O-N 2.99Å
5R39.5Very low46.6Very low236 Ų236137.9 Ų137.989%0.89173%0.73SS**  trans-40.5123.6169.9-85.1172.7159.7-169.2-6.9110.1S3 S7S3-R5 PolarHBondContact O-N 2.71Å; R5-S7 VanDerWaalsContact C-N 3.3Å; R5-S7 PolarHBondContact O-N 3.31Å
6E40.7Very low48.1Very low170 Ų170136.1 Ų136.179%0.79472%0.72SS**  trans-56.7102.1154.6-65.7-179.594.300106.9P4 K8P4-E6 PolarHBondContact O-N 2.99Å; E6-K8 PolarHBondContact O-N 3.18Å
7S38.9Very low49.9Very low104 Ų104128.5 Ų128.573%0.72768%0.68SS**  trans-64.481.3162.3-60.70000106.6R5 T9R5-S7 VanDerWaalsContact C-N 3.3Å; R5-S7 PolarHBondContact O-N 3.31Å; S7-T9 PolarHBondContact O-N 3.29Å
8K39.8Very low51.5Low171 Ų171127.2 Ų127.274%0.74367%0.67SS**  trans-63.987154.3-72.5-178.7178.8-179.90104.9E6 N10E6-K8 PolarHBondContact O-N 3.18Å; K8-N10 PolarHBondContact O-N 3.23Å
9T39.2Very low53Low116 Ų116126.6 Ų126.671%0.71266%0.663SS**  trans-55.992.1157.940.60000105.2S7 M11S7-T9 PolarHBondContact O-N 3.29Å; T9-M11 PolarHBondContact O-N 3.32Å
10N37.7Very low54.4Low144 Ų144121.5 Ų121.577%0.7764%0.636SS**  trans-53.295.4150.8-9513.4000104.1K8 E12K8-N10 PolarHBondContact O-N 3.23Å; N10-E12 PolarHBondContact O-N 3.3Å
11M43.4Very low55.6Low72 Ų72117.5 Ų117.536%0.35562%0.615SS.*  trans-60.797.3159.9-106149.48900104.2T9 T13 R28 R35T9-M11 PolarHBondContact O-N 3.32Å; M11-T13 VanDerWaalsContact C-N 3.34Å; M11-T13 PolarHBondContact O-N 3.01Å; M11-R28 PolarHBondContact O-NH2 3.46Å; M11-R35 VanDerWaalsContact CE-NH2 3.26Å
12E46.8Very low57.1Low180 Ų180112.4 Ų112.484%0.84159%0.586SS**  trans-44.2109.3154.4-78.5170.878.500105.3N10 S14N10-E12 PolarHBondContact O-N 3.3Å; E12-S14 PolarHBondContact O-N 2.72Å
13T53.6Low58.5Low41 Ų41110.7 Ų110.725%0.25257%0.567SS.*  trans-60.5119.2167.820.70000105.7M11 D17 M21 R28M11-T13 VanDerWaalsContact C-N 3.34Å; M11-T13 PolarHBondContact O-N 3.01Å; T13-D17 HydrophobicContact CG2-CB 4.27Å; T13-M21 HydrophobicContact CG2-CE 3.85Å; T13-R28 HydrophobicContact CG2-CG 4.22Å
14S67.2Low59.9Low53 Ų53105.6 Ų105.637%0.37153%0.532SS..  trans-61.8154.8176.5-166.10000108.9E12 D16 D17 E18E12-S14 PolarHBondContact O-N 2.72Å; S14-D16 PolarHBondContact O-N 2.91Å; S14-D16 VanDerWaalsContact O-N 3.15Å; S14-D16 PolarHBondContact OG-OD2 3.39Å; S14-D17 PolarHBondContact N-OD2 3.1Å; S14-D17 VanDerWaalsContact N-OD2 3.11Å; S14-D17 WeakPolarHBondContact O-CB 3.43Å; S14-D17 PolarHBondContact O-N 3.25Å; S14-E18 PolarHBondContact O-N 3.47Å; S14-E18 VanDerWaalsContact O-N 3.17Å
15E71.9Confident61.1Low177 Ų177107.4 Ų107.483%0.82753%0.529SS*.Hα-helixtrans-53.4-33.4169.1-69.1179.995.300110.4E18 Q19E15-E18 PolarHBondContact O-N 3.17Å; E15-Q19 WeakPolarHBondContact O-CB 3.36Å; E15-Q19 PolarHBondContact O-N 3.17Å
16D71.9Confident62.9Low109 Ų10996.8 Ų96.858%0.58349%0.49SS*.Hα-helixtrans-63.7-40.2173.5-47.9-76.7000113S14 E18 Q19 L20S14-D16 PolarHBondContact O-N 2.91Å; S14-D16 VanDerWaalsContact O-N 3.15Å; S14-D16 PolarHBondContact OG-OD2 3.39Å; D16-E18 VanDerWaalsContact C-N 3.31Å; D16-E18 PolarHBondContact O-N 3Å; D16-Q19 PolarHBondContact O-N 3.05Å; D16-L20 WeakPolarHBondContact O-CB 3.5Å; D16-L20 WeakPolarHBondContact O-CD1 3.44Å; D16-L20 PolarHBondContact O-N 2.91Å
17D77.2Confident64.8Low7 Ų793.1 Ų93.14%0.03748%0.48CS..Hα-helixtrans-64.5-40177.2-73.8-46.6000109.9T13 S14 L20 M21 R35T13-D17 HydrophobicContact CG2-CB 4.27Å; S14-D17 PolarHBondContact N-OD2 3.1Å; S14-D17 VanDerWaalsContact N-OD2 3.11Å; S14-D17 WeakPolarHBondContact O-CB 3.43Å; S14-D17 PolarHBondContact O-N 3.25Å; D17-L20 PolarHBondContact O-N 3.02Å; D17-M21 HydrophobicContact CB-CE 4.14Å; D17-M21 WeakPolarHBondContact O-CE 3.37Å; D17-M21 VanDerWaalsContact O-CG 3.3Å; D17-M21 WeakPolarHBondContact O-CG 3.31Å; D17-M21 PolarHBondContact O-N 2.99Å; D17-R35 IonicContact OD1-CZ 3.92Å; D17-R35 IonicContact OD1-NH2 3.98Å; D17-R35 IonicContact OD2-CZ 3.66Å; D17-R35 IonicContact OD2-NH1 3.67Å; D17-R35 IonicContact OD2-NH2 3.43Å; D17-R35 PolarHBondContact OD2-NH2 2.73Å
18E80Confident66.9Low105 Ų10594.1 Ų94.149%0.49147%0.468SS..Hα-helixtrans-71.3-36.2-179.6-139.9-179.8115.900112.4S14 E15 D16 K22S14-E18 PolarHBondContact O-N 3.47Å; S14-E18 VanDerWaalsContact O-N 3.17Å; E15-E18 PolarHBondContact O-N 3.17Å; D16-E18 VanDerWaalsContact C-N 3.31Å; D16-E18 PolarHBondContact O-N 3Å; E18-K22 PolarHBondContact O-N 2.94Å
19Q80Confident68.7Low116 Ų11693.1 Ų93.154%0.54246%0.463SS..Hα-helixtrans-63.9-46.5170.8-16771.240.400110.4E15 D16 M21 K22 D23E15-Q19 WeakPolarHBondContact O-CB 3.36Å; E15-Q19 PolarHBondContact O-N 3.17Å; D16-Q19 PolarHBondContact O-N 3.05Å; Q19-M21 PolarHBondContact O-N 3.3Å; Q19-K22 PolarHBondContact O-N 3.43Å; Q19-K22 VanDerWaalsContact O-N 3.13Å; Q19-D23 PolarHBondContact O-N 3.48Å
20L79.7Confident70.7Confident24 Ų2493 Ų9313%0.12645%0.45CS..Hα-helixtrans-61.5-40.8178.1-108.198.9000113.7D16 D17 K22 D23 C24 I31 D88 V91D16-L20 WeakPolarHBondContact O-CB 3.5Å; D16-L20 WeakPolarHBondContact O-CD1 3.44Å; D16-L20 PolarHBondContact O-N 2.91Å; D17-L20 PolarHBondContact O-N 3.02Å; L20-K22 PolarHBondContact O-N 2.88Å; L20-D23 PolarHBondContact O-N 2.96Å; L20-C24 WeakPolarHBondContact O-CB 3.35Å; L20-C24 PolarHBondContact O-N 3.24Å; L20-I31 HydrophobicContact CB-CD1 4.16Å; L20-D88 HydrophobicContact CD1-CB 3.61Å; L20-D88 HydrophobicContact CD2-CB 3.84Å; L20-D88 HydrophobicContact CG-CB 4.2Å; L20-V91 HydrophobicContact CD2-CB 3.61Å; L20-V91 HydrophobicContact CD2-CG1 3.65Å; L20-V91 HydrophobicContact CD2-CG2 4.15Å
21M79.8Confident72.9Confident38 Ų3886.2 Ų86.219%0.18741%0.414CS..Hα-helixtrans-57.8-36.5176-74.2-176.8-113.400111.9T13 D17 Q19 H25 V26 R28 I31T13-M21 HydrophobicContact CG2-CE 3.85Å; D17-M21 HydrophobicContact CB-CE 4.14Å; D17-M21 WeakPolarHBondContact O-CE 3.37Å; D17-M21 VanDerWaalsContact O-CG 3.3Å; D17-M21 WeakPolarHBondContact O-CG 3.31Å; D17-M21 PolarHBondContact O-N 2.99Å; Q19-M21 PolarHBondContact O-N 3.3Å; M21-H25 WeakPolarHBondContact O-CA 3.41Å; M21-H25 PolarHBondContact O-N 2.92Å; M21-V26 WeakPolarHBondContact CA-O 3.36Å; M21-V26 VanDerWaalsContact CB-O 3.31Å; M21-V26 WeakPolarHBondContact CB-O 3.47Å; M21-V26 VanDerWaalsContact CG-O 3.27Å; M21-V26 WeakPolarHBondContact CG-O 3.48Å; M21-V26 PolarHBondContact O-N 3.42Å; M21-R28 HydrophobicContact CE-CB 4.13Å; M21-R28 HydrophobicContact CE-CG 4.33Å; M21-R28 VanDerWaalsContact SD-CA 3.56Å; M21-R28 HydrophobicContact SD-CB 3.65Å; M21-R28 HydrophobicContact SD-CG 4.48Å; M21-R28 PolarHBondContact SD-N 2.97Å; M21-I31 HydrophobicContact CB-CD1 4.49Å; M21-I31 HydrophobicContact CE-CD1 4.32Å; M21-I31 HydrophobicContact CG-CD1 3.39Å; M21-I31 HydrophobicContact CG-CG1 4.08Å; M21-I31 HydrophobicContact SD-CD1 4.49Å
22K77.7Confident74.8Confident138 Ų13884.9 Ų84.960%0.641%0.412SS*.Hα-helixtrans-77.4-45.4177.5-71.2174.4-177.1165.20112.2E18 Q19 L20 C24E18-K22 PolarHBondContact O-N 2.94Å; Q19-K22 PolarHBondContact O-N 3.43Å; Q19-K22 VanDerWaalsContact O-N 3.13Å; L20-K22 PolarHBondContact O-N 2.88Å; K22-C24 VanDerWaalsContact C-N 3.31Å; K22-C24 PolarHBondContact O-N 3.12Å
23D74.4Confident76.6Confident84 Ų8479.8 Ų79.845%0.44939%0.387SS..Hα-helixtrans-64.7-36.7-176.5-116.9-109.5000112.1Q19 L20 R92Q19-D23 PolarHBondContact O-N 3.48Å; L20-D23 PolarHBondContact O-N 2.96Å; D23-R92 IonicContact OD1-CZ 2.92Å; D23-R92 IonicContact OD1-NH2 3.67Å; D23-R92 PolarHBondContact OD1-NH2 2.97Å
24C71.6Confident78.1Confident12 Ų1277.9 Ų77.98%0.08138%0.376CS..SBendtrans-113.27.3-170.7-55.10000113.4L20 K22 V26 R92 S95L20-C24 WeakPolarHBondContact O-CB 3.35Å; L20-C24 PolarHBondContact O-N 3.24Å; K22-C24 VanDerWaalsContact C-N 3.31Å; K22-C24 PolarHBondContact O-N 3.12Å; C24-V26 HydrophobicContact CB-CG1 3.31Å; C24-V26 PolarHBondContact O-N 3.49Å; C24-R92 WeakPolarHBondContact SG-CG 3.38Å; C24-S95 WeakPolarHBondContact O-CB 3.43Å
25H72.4Confident79Confident159 Ų15978.1 Ų78.174%0.73637%0.369SS*.  trans5228.3-177.6-64.884.7000114.7M21M21-H25 WeakPolarHBondContact O-CA 3.41Å; M21-H25 PolarHBondContact O-N 2.92Å
26V76.5Confident79.7Confident12 Ų1276.2 Ų76.27%0.07336%0.36CS..  trans-94.5140.2-178.1170000110.3M21 C24 R30 I31 V91 S95M21-V26 WeakPolarHBondContact CA-O 3.36Å; M21-V26 VanDerWaalsContact CB-O 3.31Å; M21-V26 WeakPolarHBondContact CB-O 3.47Å; M21-V26 VanDerWaalsContact CG-O 3.27Å; M21-V26 WeakPolarHBondContact CG-O 3.48Å; M21-V26 PolarHBondContact O-N 3.42Å; C24-V26 HydrophobicContact CB-CG1 3.31Å; C24-V26 PolarHBondContact O-N 3.49Å; V26-R30 HydrophobicContact CG2-CB 4.02Å; V26-R30 HydrophobicContact CG2-CG 4.18Å; V26-I31 HydrophobicContact CG2-CB 4.41Å; V26-I31 HydrophobicContact CG2-CD1 4.07Å; V26-I31 HydrophobicContact CG2-CG1 3.25Å; V26-V91 HydrophobicContact CG1-CG1 3.75Å; V26-V91 HydrophobicContact CG2-CG1 4.3Å; V26-S95 VanDerWaalsContact CG1-OG 3.25Å; V26-S95 WeakPolarHBondContact CG1-OG 3.47Å
27T82.1Confident80.2Confident94 Ų9474.1 Ų74.158%0.57735%0.348SS*.  trans-77.9152.6175.764.10000112.2K29 R30 I31T27-K29 PolarHBondContact O-N 2.86Å; T27-K29 VanDerWaalsContact O-N 3.08Å; T27-R30 WeakPolarHBondContact O-CA 3.24Å; T27-R30 WeakPolarHBondContact O-CB 3.33Å; T27-R30 PolarHBondContact O-N 3Å; T27-R30 PolarHBondContact OG1-N 3.34Å; T27-I31 PolarHBondContact O-N 3.15Å
28R81.1Confident80.6Confident124 Ų12474.3 Ų74.347%0.46835%0.348SS..Hα-helixtrans-49.2-38.2172.8-177.9179.7-179.1155.18.1113.4M11 T13 M21 I31 S32M11-R28 PolarHBondContact O-NH2 3.46Å; T13-R28 HydrophobicContact CG2-CG 4.22Å; M21-R28 HydrophobicContact CE-CB 4.13Å; M21-R28 HydrophobicContact CE-CG 4.33Å; M21-R28 VanDerWaalsContact SD-CA 3.56Å; M21-R28 HydrophobicContact SD-CB 3.65Å; M21-R28 HydrophobicContact SD-CG 4.48Å; M21-R28 PolarHBondContact SD-N 2.97Å; R28-I31 PolarHBondContact O-N 3.44Å; R28-S32 PolarHBondContact O-N 3.26Å; R28-S32 PolarHBondContact O-OG 2.94Å; R28-S32 VanDerWaalsContact O-OG 3.12Å
29K79.3Confident80.9Confident150 Ų15075.9 Ų75.965%0.65235%0.35SS*.Hα-helixtrans-63.6-47178.4-170.2-173.5175.1-162.60110.2T27 S32 E33T27-K29 PolarHBondContact O-N 2.86Å; T27-K29 VanDerWaalsContact O-N 3.08Å; K29-S32 WeakPolarHBondContact O-CB 3.35Å; K29-S32 PolarHBondContact O-N 2.96Å; K29-S32 VanDerWaalsContact O-N 3.14Å; K29-E33 WeakPolarHBondContact CE-OE1 3.33Å; K29-E33 IonicContact NZ-OE1 2.65Å; K29-E33 WeakPolarHBondContact O-CG 3.28Å; K29-E33 PolarHBondContact O-N 3.16Å
30R79.7Confident81.1Confident113 Ų11377.2 Ų77.243%0.42635%0.354SS..Hα-helixtrans-63.9-41.7176.7-174.762.8167.7-171.6-2.2111.8V26 T27 S32 E33 L34V26-R30 HydrophobicContact CG2-CB 4.02Å; V26-R30 HydrophobicContact CG2-CG 4.18Å; T27-R30 WeakPolarHBondContact O-CA 3.24Å; T27-R30 WeakPolarHBondContact O-CB 3.33Å; T27-R30 PolarHBondContact O-N 3Å; T27-R30 PolarHBondContact OG1-N 3.34Å; R30-S32 VanDerWaalsContact C-N 3.28Å; R30-S32 PolarHBondContact O-N 3.21Å; R30-E33 IonicContact NH1-OE2 2.74Å; R30-E33 PolarHBondContact O-N 2.9Å; R30-L34 HydrophobicContact CG-CD1 4.02Å; R30-L34 HydrophobicContact CG-CG 4.29Å; R30-L34 WeakPolarHBondContact O-CB 3.2Å; R30-L34 WeakPolarHBondContact O-CG 3.42Å; R30-L34 PolarHBondContact O-N 3.26Å
31I84.3Confident81.3Confident3 Ų376.6 Ų76.62%0.01535%0.351CS..Hα-helixtrans-56-43.7171.1-64.4-157.6000111.4L20 M21 V26 T27 R28 L34 R35 F87L20-I31 HydrophobicContact CB-CD1 4.16Å; M21-I31 HydrophobicContact CB-CD1 4.49Å; M21-I31 HydrophobicContact CE-CD1 4.32Å; M21-I31 HydrophobicContact CG-CD1 3.39Å; M21-I31 HydrophobicContact CG-CG1 4.08Å; M21-I31 HydrophobicContact SD-CD1 4.49Å; V26-I31 HydrophobicContact CG2-CB 4.41Å; V26-I31 HydrophobicContact CG2-CD1 4.07Å; V26-I31 HydrophobicContact CG2-CG1 3.25Å; T27-I31 PolarHBondContact O-N 3.15Å; R28-I31 PolarHBondContact O-N 3.44Å; I31-L34 PolarHBondContact O-N 2.98Å; I31-R35 VanDerWaalsContact O-CB 3.28Å; I31-R35 WeakPolarHBondContact O-CB 3.42Å; I31-R35 PolarHBondContact O-N 2.99Å; I31-F87 HydrophobicContact CG2-CE1 4.05Å; I31-F87 HydrophobicContact CG2-CZ 3.96Å
32S84.6Confident81.7Confident44 Ų4475.2 Ų75.231%0.30834%0.344SS..Hα-helixtrans-64.3-43.7179.8-630000112R28 K29 R30 R35 E36R28-S32 PolarHBondContact O-N 3.26Å; R28-S32 PolarHBondContact O-OG 2.94Å; R28-S32 VanDerWaalsContact O-OG 3.12Å; K29-S32 WeakPolarHBondContact O-CB 3.35Å; K29-S32 PolarHBondContact O-N 2.96Å; K29-S32 VanDerWaalsContact O-N 3.14Å; R30-S32 VanDerWaalsContact C-N 3.28Å; R30-S32 PolarHBondContact O-N 3.21Å; S32-R35 PolarHBondContact O-N 3.03Å; S32-E36 PolarHBondContact O-N 3.32Å
33E83.5Confident82Confident72 Ų7278.8 Ų78.834%0.33635%0.354SS..Hα-helixtrans-61.7-46.4175-69.4173.5170.800111.4K29 R30 R35 E36 I37K29-E33 WeakPolarHBondContact CE-OE1 3.33Å; K29-E33 IonicContact NZ-OE1 2.65Å; K29-E33 WeakPolarHBondContact O-CG 3.28Å; K29-E33 PolarHBondContact O-N 3.16Å; R30-E33 IonicContact NH1-OE2 2.74Å; R30-E33 PolarHBondContact O-N 2.9Å; E33-R35 VanDerWaalsContact C-N 3.27Å; E33-R35 PolarHBondContact O-N 3.48Å; E33-E36 PolarHBondContact O-N 2.79Å; E33-I37 WeakPolarHBondContact O-CG1 3.36Å; E33-I37 PolarHBondContact O-N 3.3Å
34L84.4Confident82.5Confident1 Ų179.6 Ų79.61%0.00536%0.358CS..Hα-helixtrans-62.2-36.5177.1-69176.7000111.6R30 I31 I37 F38 F87 F90 V91 L94R30-L34 HydrophobicContact CG-CD1 4.02Å; R30-L34 HydrophobicContact CG-CG 4.29Å; R30-L34 WeakPolarHBondContact O-CB 3.2Å; R30-L34 WeakPolarHBondContact O-CG 3.42Å; R30-L34 PolarHBondContact O-N 3.26Å; I31-L34 PolarHBondContact O-N 2.98Å; L34-I37 PolarHBondContact O-N 2.78Å; L34-F38 VanDerWaalsContact O-CB 3.25Å; L34-F38 WeakPolarHBondContact O-CB 3.27Å; L34-F38 PolarHBondContact O-N 2.92Å; L34-F87 HydrophobicContact CB-CE2 4.4Å; L34-F90 HydrophobicContact CB-CE1 4.38Å; L34-F90 HydrophobicContact CD2-CE1 4.05Å; L34-V91 HydrophobicContact CB-CG2 4.21Å; L34-V91 HydrophobicContact CD1-CB 4.2Å; L34-V91 HydrophobicContact CD1-CG1 3.95Å; L34-V91 HydrophobicContact CD1-CG2 3.88Å; L34-L94 HydrophobicContact CD2-CB 4.09Å; L34-L94 HydrophobicContact CD2-CD1 3.34Å; L34-L94 HydrophobicContact CD2-CG 4.35Å
35R86.4Confident83.1Confident58 Ų5884.2 Ų84.222%0.21938%0.382CS..Hα-helixtrans-69.4-35176.4-170.1140.360.6167.2-13.2112.4M11 D17 I31 S32 E33 R39 F87M11-R35 VanDerWaalsContact CE-NH2 3.26Å; D17-R35 IonicContact OD1-CZ 3.92Å; D17-R35 IonicContact OD1-NH2 3.98Å; D17-R35 IonicContact OD2-CZ 3.66Å; D17-R35 IonicContact OD2-NH1 3.67Å; D17-R35 IonicContact OD2-NH2 3.43Å; D17-R35 PolarHBondContact OD2-NH2 2.73Å; I31-R35 VanDerWaalsContact O-CB 3.28Å; I31-R35 WeakPolarHBondContact O-CB 3.42Å; I31-R35 PolarHBondContact O-N 2.99Å; S32-R35 PolarHBondContact O-N 3.03Å; E33-R35 VanDerWaalsContact C-N 3.27Å; E33-R35 PolarHBondContact O-N 3.48Å; R35-R39 VanDerWaalsContact O-CB 3.27Å; R35-R39 WeakPolarHBondContact O-CB 3.25Å; R35-R39 PolarHBondContact O-N 3.19Å; R35-F87 VanDerWaalsContact CA-CE2 3.44Å; R35-F87 HydrophobicContact CB-CE2 3.73Å; R35-F87 HydrophobicContact CB-CZ 3.61Å; R35-F87 HydrophobicContact CG-CE2 4.19Å; R35-F87 HydrophobicContact CG-CZ 4.15Å
36E86.8Confident83.8Confident138 Ų13880.3 Ų80.365%0.64537%0.366SS*.Hα-helixtrans-66.7-41.5171.7-74.1-171.693.200111.5S32 E33 F40S32-E36 PolarHBondContact O-N 3.32Å; E33-E36 PolarHBondContact O-N 2.79Å; E36-F40 WeakPolarHBondContact O-CB 3.11Å; E36-F40 PolarHBondContact O-N 3.12Å
37I83.8Confident84.2Confident64 Ų6481.6 Ų81.633%0.32838%0.382SS..Hα-helixtrans-63.9-49.4175.6-67.6166.9000110.3E33 L34 R39 F40 I41 L57 F90E33-I37 WeakPolarHBondContact O-CG1 3.36Å; E33-I37 PolarHBondContact O-N 3.3Å; L34-I37 PolarHBondContact O-N 2.78Å; I37-R39 VanDerWaalsContact C-N 3.35Å; I37-R39 PolarHBondContact O-N 3.37Å; I37-F40 WeakPolarHBondContact O-CB 3.38Å; I37-F40 PolarHBondContact O-N 3.04Å; I37-I41 HydrophobicContact CG2-CD1 3.53Å; I37-I41 HydrophobicContact CG2-CG1 4.45Å; I37-I41 WeakPolarHBondContact O-CD1 3.42Å; I37-I41 WeakPolarHBondContact O-CG1 3.24Å; I37-I41 PolarHBondContact O-N 3.45Å; I37-I41 VanDerWaalsContact O-N 3.14Å; I37-L57 HydrophobicContact CG2-CD1 3.79Å; I37-L57 HydrophobicContact CG2-CD2 4.08Å; I37-F90 HydrophobicContact CG2-CE1 4.19Å; I37-F90 HydrophobicContact CG2-CZ 3.78Å
38F85.1Confident84.5Confident12 Ų1278.2 Ų78.25%0.05336%0.361CS..Hα-helixtrans-55.2-51.1178.8-171.4-85.7000110.7L34 F40 I41 D42 G47 V49 F87 F90L34-F38 VanDerWaalsContact O-CB 3.25Å; L34-F38 WeakPolarHBondContact O-CB 3.27Å; L34-F38 PolarHBondContact O-N 2.92Å; F38-F40 PolarHBondContact O-N 2.96Å; F38-I41 PolarHBondContact O-N 2.74Å; F38-D42 HydrophobicContact CD1-CB 4.13Å; F38-D42 HydrophobicContact CE1-CB 4.01Å; F38-D42 VanDerWaalsContact O-CB 3.27Å; F38-D42 WeakPolarHBondContact O-CB 3.37Å; F38-D42 PolarHBondContact O-N 2.72Å; F38-G47 WeakPolarHBondContact CZ-O 3.28Å; F38-V49 HydrophobicContact CD1-CG2 4.48Å; F38-V49 HydrophobicContact CD2-CG2 3.6Å; F38-V49 HydrophobicContact CE1-CG2 4.22Å; F38-V49 HydrophobicContact CE2-CB 4.11Å; F38-V49 HydrophobicContact CE2-CG2 3.3Å; F38-V49 HydrophobicContact CG-CG2 4.2Å; F38-V49 HydrophobicContact CZ-CB 4.49Å; F38-V49 HydrophobicContact CZ-CG2 3.65Å; F38-F87 HydrophobicContact CB-CD2 3.79Å; F38-F87 HydrophobicContact CB-CE2 4.05Å; F38-F87 HydrophobicContact CD1-CD2 4.15Å; F38-F87 HydrophobicContact CD2-CB 4.34Å; F38-F87 AromaticContact CD2-CD2 3.76Å; F38-F87 HydrophobicContact CD2-CD2 3.76Å; F38-F87 HydrophobicContact CE1-CB 4.37Å; F38-F87 HydrophobicContact CE2-CB 4.07Å; F38-F87 HydrophobicContact CE2-CD2 4.34Å; F38-F87 AromaticContact CG-CD2 3.63Å; F38-F87 HydrophobicContact CG-CD2 3.63Å; F38-F87 HydrophobicContact CG-CE2 4.38Å; F38-F87 HydrophobicContact CZ-CB 4.08Å; F38-F90 HydrophobicContact CB-CD1 4.3Å; F38-F90 HydrophobicContact CB-CE1 4.34Å; F38-F90 HydrophobicContact CD2-CB 3.85Å; F38-F90 AromaticContact CD2-CD1 3.88Å; F38-F90 HydrophobicContact CD2-CD1 3.88Å; F38-F90 HydrophobicContact CD2-CD2 4.45Å; F38-F90 AromaticContact CD2-CG 3.81Å; F38-F90 HydrophobicContact CD2-CG 3.81Å; F38-F90 HydrophobicContact CE2-CB 4.04Å; F38-F90 HydrophobicContact CE2-CG 4.43Å
39R85.7Confident84.8Confident137 Ų13772.3 Ų72.352%0.51734%0.339SS..Hα-helixtrans-67.5-19.3179.2-149.5-167.5-56.81671.1113.9R35 I37R35-R39 VanDerWaalsContact O-CB 3.27Å; R35-R39 WeakPolarHBondContact O-CB 3.25Å; R35-R39 PolarHBondContact O-N 3.19Å; I37-R39 VanDerWaalsContact C-N 3.35Å; I37-R39 PolarHBondContact O-N 3.37Å
40F85.2Confident85.3Confident145 Ų14566.3 Ų66.364%0.63632%0.316SS*.Hα-helixtrans-78.2-29173.8-178.1-93.6000111.7E36 I37 F38 L60E36-F40 WeakPolarHBondContact O-CB 3.11Å; E36-F40 PolarHBondContact O-N 3.12Å; I37-F40 WeakPolarHBondContact O-CB 3.38Å; I37-F40 PolarHBondContact O-N 3.04Å; F38-F40 PolarHBondContact O-N 2.96Å; F40-L60 HydrophobicContact CE1-CD2 4.12Å
41I84.1Confident85.6Confident11 Ų1165.5 Ų65.56%0.05631%0.313CS..Hα-helixtrans-91.6-47.4-175.6-62155.7000111.3I37 F38 R43 V49 E53 L57 F90I37-I41 HydrophobicContact CG2-CD1 3.53Å; I37-I41 HydrophobicContact CG2-CG1 4.45Å; I37-I41 WeakPolarHBondContact O-CD1 3.42Å; I37-I41 WeakPolarHBondContact O-CG1 3.24Å; I37-I41 PolarHBondContact O-N 3.45Å; I37-I41 VanDerWaalsContact O-N 3.14Å; F38-I41 PolarHBondContact O-N 2.74Å; I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.23Å; I41-V49 HydrophobicContact CG2-CG1 3.9Å; I41-V49 HydrophobicContact CG2-CG2 4.2Å; I41-E53 VanDerWaalsContact CG2-C 3.41Å; I41-E53 HydrophobicContact CG2-CB 3.55Å; I41-E53 WeakPolarHBondContact CG2-O 3.14Å; I41-L57 HydrophobicContact CD1-CB 3.54Å; I41-L57 HydrophobicContact CD1-CD1 3.49Å; I41-L57 VanDerWaalsContact CD1-CD1 3.49Å; I41-L57 HydrophobicContact CD1-CD2 3.42Å; I41-L57 VanDerWaalsContact CD1-CD2 3.42Å; I41-L57 HydrophobicContact CD1-CG 3.57Å; I41-L57 HydrophobicContact CG1-CB 3.83Å; I41-L57 HydrophobicContact CG1-CD1 3.87Å; I41-L57 HydrophobicContact CG1-CG 4.22Å; I41-L57 HydrophobicContact CG2-CB 4.46Å; I41-F90 HydrophobicContact CD1-CE2 4.43Å; I41-F90 HydrophobicContact CD1-CZ 4.23Å
42D87.9Confident85.8Confident8 Ų873.1 Ų73.14%0.04335%0.349CS..  trans-62.486.9172.9174.77.6000108.6F38 N45 D46 G47 V49F38-D42 HydrophobicContact CD1-CB 4.13Å; F38-D42 HydrophobicContact CE1-CB 4.01Å; F38-D42 VanDerWaalsContact O-CB 3.27Å; F38-D42 WeakPolarHBondContact O-CB 3.37Å; F38-D42 PolarHBondContact O-N 2.72Å; D42-N45 WeakPolarHBondContact OD1-CA 3.47Å; D42-N45 PolarHBondContact OD1-N 2.9Å; D42-N45 WeakPolarHBondContact OD2-CA 3.46Å; D42-D46 PolarHBondContact OD1-N 3.5Å; D42-D46 VanDerWaalsContact OD1-N 3.16Å; D42-G47 WeakPolarHBondContact OD2-CA 3.04Å; D42-G47 PolarHBondContact OD2-N 2.82Å; D42-V49 HydrophobicContact CB-CG2 4.33Å
43R83.2Confident86Confident214 Ų21471.9 Ų71.981%0.80834%0.338SS*.SBendtrans-82.9-33-170.8-90.4-166.1169.7-172.5-0.2111.4I41 N45 E53I41-R43 VanDerWaalsContact C-N 3.28Å; I41-R43 PolarHBondContact O-N 3.23Å; R43-N45 VanDerWaalsContact C-N 3.29Å; R43-E53 PolarHBondContact N-OE1 2.83Å
44D85.8Confident86.1Confident101 Ų10168.5 Ų68.554%0.5432%0.322SS..SBendtrans-83.2-7.8175.452.815.3000112.8D46D44-D46 PolarHBondContact O-N 2.9Å; D44-D46 PolarHBondContact OD1-N 2.79Å
45N83.9Confident86.2Confident108 Ų10869.3 Ų69.358%0.57833%0.328SS*.  trans54.337.8-179-71-98.8000111.2D42 R43D42-N45 WeakPolarHBondContact OD1-CA 3.47Å; D42-N45 PolarHBondContact OD1-N 2.9Å; D42-N45 WeakPolarHBondContact OD2-CA 3.46Å; R43-N45 VanDerWaalsContact C-N 3.29Å
46D86.9Confident86.2Confident77 Ų7771 Ų7141%0.41235%0.345SS..SBendtrans-78.1-12174.974.1-0.9000111.9D42 D44 T48D42-D46 PolarHBondContact OD1-N 3.5Å; D42-D46 VanDerWaalsContact OD1-N 3.16Å; D44-D46 PolarHBondContact O-N 2.9Å; D44-D46 PolarHBondContact OD1-N 2.79Å; D46-T48 PolarHBondContact OD1-N 2.84Å; D46-T48 PolarHBondContact OD1-OG1 3.15Å; D46-T48 PolarHBondContact OD2-OG1 3.32Å
47G84.8Confident86Confident39 Ų3965.3 Ų65.340%0.40232%0.319SS..SBendtrans88.33.5177.800000113.7F38 D42F38-G47 WeakPolarHBondContact CZ-O 3.28Å; D42-G47 WeakPolarHBondContact OD2-CA 3.04Å; D42-G47 PolarHBondContact OD2-N 2.82Å
48T88.9Confident85.9Confident23 Ų2363.1 Ų63.114%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-120.2167.2169.967.10000109D46 E84 M85D46-T48 PolarHBondContact OD1-N 2.84Å; D46-T48 PolarHBondContact OD1-OG1 3.15Å; D46-T48 PolarHBondContact OD2-OG1 3.32Å; T48-E84 HydrophobicContact CG2-CB 4.38Å; T48-E84 PolarHBondContact OG1-OE2 3.47Å; T48-M85 CarbonylContact C-O 3.6Å; T48-M85 WeakPolarHBondContact CA-O 3.48Å
49V87.4Confident85.7Confident0 Ų069.3 Ų69.30%033%0.33CS..EExtended strand (participates in β ladder)trans-116.2110.9173.6167.60000106.8F38 I41 D42 E53 F54 M74 M85F38-V49 HydrophobicContact CD1-CG2 4.48Å; F38-V49 HydrophobicContact CD2-CG2 3.6Å; F38-V49 HydrophobicContact CE1-CG2 4.22Å; F38-V49 HydrophobicContact CE2-CB 4.11Å; F38-V49 HydrophobicContact CE2-CG2 3.3Å; F38-V49 HydrophobicContact CG-CG2 4.2Å; F38-V49 HydrophobicContact CZ-CB 4.49Å; F38-V49 HydrophobicContact CZ-CG2 3.65Å; I41-V49 HydrophobicContact CG2-CG1 3.9Å; I41-V49 HydrophobicContact CG2-CG2 4.2Å; D42-V49 HydrophobicContact CB-CG2 4.33Å; V49-E53 HydrophobicContact CG1-CB 3.91Å; V49-F54 HydrophobicContact CG1-CB 3.75Å; V49-F54 HydrophobicContact CG1-CD2 4.31Å; V49-M74 WeakPolarHBondContact O-CE 3.3Å; V49-M85 HydrophobicContact CB-CB 4.32Å; V49-M85 PolarHBondContact N-O 3.29Å; V49-M85 PolarHBondContact O-N 2.74Å
50S89.2Confident85.4Confident25 Ų2568.7 Ų68.718%0.17534%0.337CS..EExtended strand (participates in β ladder)trans-68160.2175.469.10000111.1Q52 E53 F54S50-Q52 PolarHBondContact O-N 3.06Å; S50-E53 WeakPolarHBondContact CB-OE2 3.38Å; S50-E53 PolarHBondContact N-OE2 3.09Å; S50-E53 PolarHBondContact O-N 3.41Å; S50-E53 WeakPolarHBondContact OG-CG 3.31Å; S50-E53 PolarHBondContact OG-N 2.88Å; S50-E53 PolarHBondContact OG-OE2 3.05Å; S50-F54 PolarHBondContact O-N 3.21Å
51R86.2Confident85Confident96 Ų9667.3 Ų67.336%0.36234%0.34SS..Hα-helixtrans-52.9-32.8175.9-175.4177.8177.1-120-8.5113.5S55 D67 M74R51-S55 WeakPolarHBondContact O-CB 3.5Å; R51-S55 PolarHBondContact O-N 3.05Å; R51-D67 IonicContact CZ-OD1 3.6Å; R51-D67 IonicContact NH1-OD1 3.94Å; R51-D67 PolarHBondContact NH2-O 3.32Å; R51-D67 IonicContact NH2-OD1 2.66Å; R51-D67 PolarHBondContact NH2-OD1 2.72Å; R51-M74 HydrophobicContact CB-CE 4.47Å; R51-M74 HydrophobicContact CB-CG 4.41Å; R51-M74 HydrophobicContact CB-SD 4.31Å; R51-M74 HydrophobicContact CG-CG 4.41Å
52Q87.3Confident84.3Confident162 Ų16268.4 Ų68.476%0.75735%0.349SS*.Hα-helixtrans-71.8-39.4178.8-75.9176-8.100111.8S50 T56S50-Q52 PolarHBondContact O-N 3.06Å; Q52-T56 PolarHBondContact O-N 3.48Å; Q52-T56 VanDerWaalsContact O-N 3.09Å; Q52-T56 PolarHBondContact O-OG1 2.85Å
53E89.1Confident83.6Confident19 Ų1973.2 Ų73.29%0.08938%0.383CS..Hα-helixtrans-71.2-44.2177-68.3170.8126.500110.8I41 R43 V49 S50 S55 T56 L57I41-E53 VanDerWaalsContact CG2-C 3.41Å; I41-E53 HydrophobicContact CG2-CB 3.55Å; I41-E53 WeakPolarHBondContact CG2-O 3.14Å; R43-E53 PolarHBondContact N-OE1 2.83Å; V49-E53 HydrophobicContact CG1-CB 3.91Å; S50-E53 WeakPolarHBondContact CB-OE2 3.38Å; S50-E53 PolarHBondContact N-OE2 3.09Å; S50-E53 PolarHBondContact O-N 3.41Å; S50-E53 WeakPolarHBondContact OG-CG 3.31Å; S50-E53 PolarHBondContact OG-N 2.88Å; S50-E53 PolarHBondContact OG-OE2 3.05Å; E53-S55 VanDerWaalsContact C-N 3.33Å; E53-S55 PolarHBondContact O-N 3.32Å; E53-T56 WeakPolarHBondContact O-CA 3.43Å; E53-T56 VanDerWaalsContact O-CB 3.32Å; E53-T56 WeakPolarHBondContact O-CB 3.21Å; E53-T56 PolarHBondContact O-N 3.44Å; E53-L57 PolarHBondContact O-N 3.43Å
54F86Confident83.1Confident1 Ų170.7 Ų70.70%0.00438%0.38CS..Hα-helixtrans-58.8-43.6173.4-166.9-110.2000112.2V49 S50 T56 L57 I58 I70 L73 M74 M85 F90 L93V49-F54 HydrophobicContact CG1-CB 3.75Å; V49-F54 HydrophobicContact CG1-CD2 4.31Å; S50-F54 PolarHBondContact O-N 3.21Å; F54-T56 VanDerWaalsContact C-N 3.26Å; F54-T56 PolarHBondContact O-N 3.39Å; F54-L57 WeakPolarHBondContact O-CB 3.23Å; F54-L57 PolarHBondContact O-N 3.47Å; F54-I58 HydrophobicContact CD1-CG1 4.01Å; F54-I58 HydrophobicContact CE1-CD1 4.06Å; F54-I58 HydrophobicContact CE1-CG1 3.58Å; F54-I58 HydrophobicContact CE2-CD1 4.36Å; F54-I58 HydrophobicContact CE2-CG1 4.28Å; F54-I58 HydrophobicContact CZ-CD1 3.75Å; F54-I58 HydrophobicContact CZ-CG1 3.72Å; F54-I58 WeakPolarHBondContact O-CG1 3.47Å; F54-I58 PolarHBondContact O-N 3.4Å; F54-I70 HydrophobicContact CD1-CG2 3.98Å; F54-I70 HydrophobicContact CE1-CG2 4.5Å; F54-L73 HydrophobicContact CE1-CB 3.85Å; F54-L73 HydrophobicContact CZ-CB 4.38Å; F54-M74 HydrophobicContact CB-SD 3.89Å; F54-M74 HydrophobicContact CD1-CB 4.46Å; F54-M74 HydrophobicContact CD1-SD 4.08Å; F54-M74 HydrophobicContact CG-SD 4.05Å; F54-M85 HydrophobicContact CB-CE 4.48Å; F54-M85 HydrophobicContact CD1-CE 4.08Å; F54-M85 HydrophobicContact CD2-CE 3.43Å; F54-M85 VanDerWaalsContact CD2-CE 3.43Å; F54-M85 HydrophobicContact CD2-SD 4.11Å; F54-M85 HydrophobicContact CE1-CE 4.17Å; F54-M85 HydrophobicContact CE2-CE 3.54Å; F54-M85 HydrophobicContact CE2-SD 4.01Å; F54-M85 HydrophobicContact CG-CE 3.73Å; F54-M85 HydrophobicContact CZ-CE 3.93Å; F54-F90 HydrophobicContact CD2-CD2 4.46Å; F54-F90 HydrophobicContact CD2-CE2 4.34Å; F54-F90 HydrophobicContact CE2-CD2 4.23Å; F54-F90 HydrophobicContact CE2-CE2 4.07Å; F54-L93 HydrophobicContact CE1-CD2 4.47Å; F54-L93 HydrophobicContact CE2-CD2 3.8Å; F54-L93 HydrophobicContact CZ-CD2 3.45Å; F54-L93 VanDerWaalsContact CZ-CD2 3.45Å
55S85.9Confident82.4Confident18 Ų1869.2 Ų69.213%0.12637%0.368CS..Hα-helixtrans-58.2-39.5174173.40000112.3R51 E53 R59R51-S55 WeakPolarHBondContact O-CB 3.5Å; R51-S55 PolarHBondContact O-N 3.05Å; E53-S55 VanDerWaalsContact C-N 3.33Å; E53-S55 PolarHBondContact O-N 3.32Å; S55-R59 VanDerWaalsContact O-CB 3.29Å; S55-R59 WeakPolarHBondContact O-CB 3.45Å; S55-R59 VanDerWaalsContact O-CG 3.26Å; S55-R59 WeakPolarHBondContact O-CG 3.49Å; S55-R59 PolarHBondContact O-N 2.93Å
56T86.2Confident82.4Confident94 Ų9467.2 Ų67.258%0.57736%0.36SS*.Hα-helixtrans-65.3-42.1178-57.40000111Q52 E53 F54 L60Q52-T56 PolarHBondContact O-N 3.48Å; Q52-T56 VanDerWaalsContact O-N 3.09Å; Q52-T56 PolarHBondContact O-OG1 2.85Å; E53-T56 WeakPolarHBondContact O-CA 3.43Å; E53-T56 VanDerWaalsContact O-CB 3.32Å; E53-T56 WeakPolarHBondContact O-CB 3.21Å; E53-T56 PolarHBondContact O-N 3.44Å; F54-T56 VanDerWaalsContact C-N 3.26Å; F54-T56 PolarHBondContact O-N 3.39Å; T56-L60 WeakPolarHBondContact O-CB 3.19Å; T56-L60 PolarHBondContact O-N 3.47Å; T56-L60 VanDerWaalsContact O-N 3.14Å
57L83.7Confident82.2Confident17 Ų1767.1 Ų67.19%0.08936%0.359CS..Hα-helixtrans-61.5-56.5173.7179.365.5000111.7I37 I41 E53 F54 R59 L60 V61 F90I37-L57 HydrophobicContact CG2-CD1 3.79Å; I37-L57 HydrophobicContact CG2-CD2 4.08Å; I41-L57 HydrophobicContact CD1-CB 3.54Å; I41-L57 HydrophobicContact CD1-CD1 3.49Å; I41-L57 VanDerWaalsContact CD1-CD1 3.49Å; I41-L57 HydrophobicContact CD1-CD2 3.42Å; I41-L57 VanDerWaalsContact CD1-CD2 3.42Å; I41-L57 HydrophobicContact CD1-CG 3.57Å; I41-L57 HydrophobicContact CG1-CB 3.83Å; I41-L57 HydrophobicContact CG1-CD1 3.87Å; I41-L57 HydrophobicContact CG1-CG 4.22Å; I41-L57 HydrophobicContact CG2-CB 4.46Å; E53-L57 PolarHBondContact O-N 3.43Å; F54-L57 WeakPolarHBondContact O-CB 3.23Å; F54-L57 PolarHBondContact O-N 3.47Å; L57-R59 PolarHBondContact O-N 3.35Å; L57-L60 WeakPolarHBondContact O-CA 3.3Å; L57-L60 VanDerWaalsContact O-CB 3.26Å; L57-L60 WeakPolarHBondContact O-CB 3.13Å; L57-L60 PolarHBondContact O-N 2.93Å; L57-V61 HydrophobicContact CD1-CG2 4.03Å; L57-V61 HydrophobicContact CG-CG2 4.34Å; L57-V61 PolarHBondContact O-N 3.43Å; L57-F90 HydrophobicContact CD2-CE2 3.7Å; L57-F90 HydrophobicContact CD2-CZ 3.75Å
58I80.9Confident82Confident18 Ų1871.3 Ų71.39%0.09237%0.372CS..Hα-helixtrans-59.2-40.9-172.3-69-67.2000109.5F54 L60 V61 S62 Y65 I70 L73F54-I58 HydrophobicContact CD1-CG1 4.01Å; F54-I58 HydrophobicContact CE1-CD1 4.06Å; F54-I58 HydrophobicContact CE1-CG1 3.58Å; F54-I58 HydrophobicContact CE2-CD1 4.36Å; F54-I58 HydrophobicContact CE2-CG1 4.28Å; F54-I58 HydrophobicContact CZ-CD1 3.75Å; F54-I58 HydrophobicContact CZ-CG1 3.72Å; F54-I58 WeakPolarHBondContact O-CG1 3.47Å; F54-I58 PolarHBondContact O-N 3.4Å; I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 PolarHBondContact O-N 3.17Å; I58-V61 PolarHBondContact O-N 3.18Å; I58-S62 CarbonylContact O-C 3.52Å; I58-S62 WeakPolarHBondContact O-CA 3.48Å; I58-S62 PolarHBondContact O-N 2.8Å; I58-Y65 VanDerWaalsContact CG2-CB 3.42Å; I58-Y65 HydrophobicContact CG2-CD1 4.08Å; I58-Y65 HydrophobicContact CG2-CD2 3.84Å; I58-Y65 HydrophobicContact CG2-CG 3.5Å; I58-I70 HydrophobicContact CB-CD1 4.47Å; I58-I70 HydrophobicContact CB-CG1 4.24Å; I58-I70 HydrophobicContact CG2-CD1 4.27Å; I58-I70 HydrophobicContact CG2-CG1 3.86Å; I58-L73 HydrophobicContact CD1-CD1 4.19Å
59R81.8Confident81.6Confident142 Ų14274.4 Ų74.454%0.53639%0.385SS..Hα-helixtrans-67-26.3175-73.6179.8155.4-159-3.7114.3S55 L57 I70S55-R59 VanDerWaalsContact O-CB 3.29Å; S55-R59 WeakPolarHBondContact O-CB 3.45Å; S55-R59 VanDerWaalsContact O-CG 3.26Å; S55-R59 WeakPolarHBondContact O-CG 3.49Å; S55-R59 PolarHBondContact O-N 2.93Å; L57-R59 PolarHBondContact O-N 3.35Å; R59-I70 HydrophobicContact CG-CD1 4.13Å
60L79.4Confident81.4Confident124 Ų12474.4 Ų74.465%0.64939%0.385SS*.Hα-helixtrans-74.4-38.6175.6-171.870.6000111.4F40 T56 L57 I58F40-L60 HydrophobicContact CE1-CD2 4.12Å; T56-L60 WeakPolarHBondContact O-CB 3.19Å; T56-L60 PolarHBondContact O-N 3.47Å; T56-L60 VanDerWaalsContact O-N 3.14Å; L57-L60 WeakPolarHBondContact O-CA 3.3Å; L57-L60 VanDerWaalsContact O-CB 3.26Å; L57-L60 WeakPolarHBondContact O-CB 3.13Å; L57-L60 PolarHBondContact O-N 2.93Å; I58-L60 VanDerWaalsContact C-N 3.29Å; I58-L60 PolarHBondContact O-N 3.17Å
61V76.9Confident81.1Confident117 Ų11778.3 Ų78.371%0.70940%0.399SS*.Hα-helixtrans-80.6-43.3179.2-178.90000111L57 I58L57-V61 HydrophobicContact CD1-CG2 4.03Å; L57-V61 HydrophobicContact CG-CG2 4.34Å; L57-V61 PolarHBondContact O-N 3.43Å; I58-V61 PolarHBondContact O-N 3.18Å
62S69Low80.9Confident34 Ų3479.6 Ų79.624%0.23841%0.412CS..  trans-146.7108.7-178.9-176.80000111.6I58 E64 Y65I58-S62 CarbonylContact O-C 3.52Å; I58-S62 WeakPolarHBondContact O-CA 3.48Å; I58-S62 PolarHBondContact O-N 2.8Å; S62-E64 PolarHBondContact O-N 3.28Å; S62-Y65 WeakPolarHBondContact OG-CD2 3.48Å
63S72.9Confident80.6Confident108 Ų10873.3 Ų73.376%0.75538%0.384SS*.THydrogen-bonded Turntrans-70.9-6.5-179.855.10000114.3
64E72.2Confident80.3Confident162 Ų16272.7 Ų72.776%0.75738%0.381SS*.THydrogen-bonded Turntrans-81.4-17.9-177.2-59.8-163.397.800113.1S62 T66S62-E64 PolarHBondContact O-N 3.28Å; E64-T66 PolarHBondContact O-N 2.73Å
65Y72.7Confident80.1Confident70 Ų7078.1 Ų78.128%0.27541%0.41SS..  trans-69.8119.4179.4-77.9-97.5000111.2I58 S62 Q69 L73I58-Y65 VanDerWaalsContact CG2-CB 3.42Å; I58-Y65 HydrophobicContact CG2-CD1 4.08Å; I58-Y65 HydrophobicContact CG2-CD2 3.84Å; I58-Y65 HydrophobicContact CG2-CG 3.5Å; S62-Y65 WeakPolarHBondContact OG-CD2 3.48Å; Y65-Q69 HydrophobicContact CD1-CB 3.85Å; Y65-L73 HydrophobicContact CD1-CD1 3.79Å; Y65-L73 HydrophobicContact CE1-CD1 3.61Å
66T82.4Confident79.8Confident66 Ų6684.7 Ų84.741%0.40544%0.436SS..  trans-76.1158.5173.761.60000111.1E64 N68 Q69 I70E64-T66 PolarHBondContact O-N 2.73Å; T66-N68 PolarHBondContact O-N 3.39Å; T66-Q69 PolarHBondContact O-N 2.69Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.39Å; T66-Q69 PolarHBondContact OG1-N 3.22Å; T66-I70 WeakPolarHBondContact O-CG1 3.49Å; T66-I70 PolarHBondContact O-N 2.65Å
67D83.2Confident79.5Confident74 Ų7480.3 Ų80.340%0.39641%0.41SS..Hα-helixtrans-55.5-30.1178.7-146-97.6000112.6R51 K71R51-D67 IonicContact CZ-OD1 3.6Å; R51-D67 IonicContact NH1-OD1 3.94Å; R51-D67 PolarHBondContact NH2-O 3.32Å; R51-D67 IonicContact NH2-OD1 2.66Å; R51-D67 PolarHBondContact NH2-OD1 2.72Å; D67-K71 VanDerWaalsContact O-CB 3.27Å; D67-K71 WeakPolarHBondContact O-CB 2.9Å; D67-K71 PolarHBondContact O-N 3.43Å
68N81.4Confident79.6Confident128 Ų12880.4 Ų80.468%0.68441%0.41SS*.Hα-helixtrans-70.4-43.4174.2-70.9-32000112.5T66 K71 L72T66-N68 PolarHBondContact O-N 3.39Å; N68-K71 PolarHBondContact O-N 2.72Å; N68-L72 WeakPolarHBondContact O-CB 3.38Å; N68-L72 PolarHBondContact O-N 3.4Å
69Q80.2Confident79.4Confident87 Ų8785.7 Ų85.741%0.40744%0.436SS..Hα-helixtrans-67-41.4175.7-69169.724.800110.7Y65 T66 K71 L72 L73Y65-Q69 HydrophobicContact CD1-CB 3.85Å; T66-Q69 PolarHBondContact O-N 2.69Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.39Å; T66-Q69 PolarHBondContact OG1-N 3.22Å; Q69-K71 VanDerWaalsContact C-N 3.31Å; Q69-K71 PolarHBondContact O-N 2.83Å; Q69-L72 WeakPolarHBondContact O-CB 3.42Å; Q69-L72 PolarHBondContact O-N 2.71Å; Q69-L72 VanDerWaalsContact O-N 3.14Å; Q69-L73 WeakPolarHBondContact O-CG 3.46Å; Q69-L73 PolarHBondContact O-N 2.96Å
70I82.4Confident79.4Confident1 Ų183.3 Ų83.31%0.00543%0.434CS..Hα-helixtrans-60.8-43.2173.9-62.4169.4000110.1F54 I58 R59 T66 L72 L73 M74F54-I70 HydrophobicContact CD1-CG2 3.98Å; F54-I70 HydrophobicContact CE1-CG2 4.5Å; I58-I70 HydrophobicContact CB-CD1 4.47Å; I58-I70 HydrophobicContact CB-CG1 4.24Å; I58-I70 HydrophobicContact CG2-CD1 4.27Å; I58-I70 HydrophobicContact CG2-CG1 3.86Å; R59-I70 HydrophobicContact CG-CD1 4.13Å; T66-I70 WeakPolarHBondContact O-CG1 3.49Å; T66-I70 PolarHBondContact O-N 2.65Å; I70-L72 VanDerWaalsContact C-N 3.3Å; I70-L72 PolarHBondContact O-N 2.94Å; I70-L73 PolarHBondContact O-N 3.02Å; I70-M74 VanDerWaalsContact O-CB 3.31Å; I70-M74 WeakPolarHBondContact O-CB 3.35Å; I70-M74 PolarHBondContact O-N 2.97Å
71K82.4Confident79.5Confident106 Ų10680.2 Ų80.246%0.46143%0.432SS..Hα-helixtrans-61.9-39.3175.4-167.1176.4-179.4-179.50112.1D67 N68 Q69 N75D67-K71 VanDerWaalsContact O-CB 3.27Å; D67-K71 WeakPolarHBondContact O-CB 2.9Å; D67-K71 PolarHBondContact O-N 3.43Å; N68-K71 PolarHBondContact O-N 2.72Å; Q69-K71 VanDerWaalsContact C-N 3.31Å; Q69-K71 PolarHBondContact O-N 2.83Å; K71-N75 WeakPolarHBondContact O-CB 3.4Å; K71-N75 PolarHBondContact O-N 3.2Å
72L81.9Confident80Confident124 Ų12479 Ų7965%0.64942%0.422SS*.Hα-helixtrans-67.8-43.4177.9-168.771000111.2N68 Q69 I70 N75 K76N68-L72 WeakPolarHBondContact O-CB 3.38Å; N68-L72 PolarHBondContact O-N 3.4Å; Q69-L72 WeakPolarHBondContact O-CB 3.42Å; Q69-L72 PolarHBondContact O-N 2.71Å; Q69-L72 VanDerWaalsContact O-N 3.14Å; I70-L72 VanDerWaalsContact C-N 3.3Å; I70-L72 PolarHBondContact O-N 2.94Å; L72-N75 PolarHBondContact O-N 2.92Å; L72-K76 WeakPolarHBondContact O-CB 3.21Å; L72-K76 PolarHBondContact O-N 3.47Å
73L82.1Confident80.6Confident30 Ų3079.2 Ų79.216%0.15743%0.43CS..Hα-helixtrans-60.9-46.8173.6-73.6174.9000111.1F54 I58 Y65 Q69 I70 K76 A77F54-L73 HydrophobicContact CE1-CB 3.85Å; F54-L73 HydrophobicContact CZ-CB 4.38Å; I58-L73 HydrophobicContact CD1-CD1 4.19Å; Y65-L73 HydrophobicContact CD1-CD1 3.79Å; Y65-L73 HydrophobicContact CE1-CD1 3.61Å; Q69-L73 WeakPolarHBondContact O-CG 3.46Å; Q69-L73 PolarHBondContact O-N 2.96Å; I70-L73 PolarHBondContact O-N 3.02Å; L73-K76 PolarHBondContact O-N 3.38Å; L73-K76 VanDerWaalsContact O-N 3.1Å; L73-A77 WeakPolarHBondContact O-CB 3.31Å; L73-A77 PolarHBondContact O-N 3.48Å
74M82.4Confident81.3Confident6 Ų677.7 Ų77.73%0.0341%0.411CS..Hα-helixtrans-56.9-52.3175.3-170.381.9-16900110.8V49 R51 F54 I70 K76 A77 D78 G83 M85V49-M74 WeakPolarHBondContact O-CE 3.3Å; R51-M74 HydrophobicContact CB-CE 4.47Å; R51-M74 HydrophobicContact CB-CG 4.41Å; R51-M74 HydrophobicContact CB-SD 4.31Å; R51-M74 HydrophobicContact CG-CG 4.41Å; F54-M74 HydrophobicContact CB-SD 3.89Å; F54-M74 HydrophobicContact CD1-CB 4.46Å; F54-M74 HydrophobicContact CD1-SD 4.08Å; F54-M74 HydrophobicContact CG-SD 4.05Å; I70-M74 VanDerWaalsContact O-CB 3.31Å; I70-M74 WeakPolarHBondContact O-CB 3.35Å; I70-M74 PolarHBondContact O-N 2.97Å; M74-K76 PolarHBondContact O-N 3.26Å; M74-K76 VanDerWaalsContact O-N 3.14Å; M74-A77 PolarHBondContact O-N 2.72Å; M74-D78 VanDerWaalsContact O-CB 3.23Å; M74-D78 WeakPolarHBondContact O-CB 3.48Å; M74-D78 PolarHBondContact O-N 2.94Å; M74-G83 WeakPolarHBondContact CE-O 3.39Å; M74-M85 HydrophobicContact CE-CB 3.88Å; M74-M85 HydrophobicContact CE-CE 4.21Å; M74-M85 HydrophobicContact SD-CE 3.48Å; M74-M85 WeakPolarHBondContact SD-CE 3.17Å
75N82.4Confident82Confident114 Ų11470 Ų7061%0.6138%0.375SS*.Hα-helixtrans-60.7-24.7177.8-106.411.8000113.8K71 L72K71-N75 WeakPolarHBondContact O-CB 3.4Å; K71-N75 PolarHBondContact O-N 3.2Å; L72-N75 PolarHBondContact O-N 2.92Å
76K79.4Confident82.8Confident156 Ų15667.5 Ų67.568%0.67837%0.369SS*.Hα-helixtrans-85.4-26178.5-156.5178.8-176.8-171.50111.5L72 L73 M74L72-K76 WeakPolarHBondContact O-CB 3.21Å; L72-K76 PolarHBondContact O-N 3.47Å; L73-K76 PolarHBondContact O-N 3.38Å; L73-K76 VanDerWaalsContact O-N 3.1Å; M74-K76 PolarHBondContact O-N 3.26Å; M74-K76 VanDerWaalsContact O-N 3.14Å
77A80.2Confident83Confident3 Ų366.1 Ų66.13%0.02536%0.357CS..Hα-helixtrans-86.9-43.3179.500000112.8L73 M74 M79 M85 E89 L93L73-A77 WeakPolarHBondContact O-CB 3.31Å; L73-A77 PolarHBondContact O-N 3.48Å; M74-A77 PolarHBondContact O-N 2.72Å; A77-M79 VanDerWaalsContact C-N 3.29Å; A77-M79 WeakPolarHBondContact O-CG 3.35Å; A77-M79 PolarHBondContact O-N 2.79Å; A77-M85 HydrophobicContact CB-CE 3.34Å; A77-M85 HydrophobicContact CB-CG 4.11Å; A77-M85 HydrophobicContact CB-SD 3.55Å; A77-M85 VanDerWaalsContact CB-SD 3.55Å; A77-E89 WeakPolarHBondContact O-CB 3.31Å; A77-L93 HydrophobicContact CB-CB 3.85Å; A77-L93 HydrophobicContact CB-CD1 3.55Å; A77-L93 HydrophobicContact CB-CD2 3.58Å; A77-L93 HydrophobicContact CB-CG 3.81Å
78D85.9Confident83.1Confident18 Ų1865.6 Ų65.610%0.09635%0.354CS..  trans-68.784.3176.2177.56.4000108.7M74 N80 G81 D82 G83M74-D78 VanDerWaalsContact O-CB 3.23Å; M74-D78 WeakPolarHBondContact O-CB 3.48Å; M74-D78 PolarHBondContact O-N 2.94Å; D78-N80 PolarHBondContact OD1-OD1 3.08Å; D78-G81 WeakPolarHBondContact OD1-CA 3.35Å; D78-G81 PolarHBondContact OD1-N 3.49Å; D78-D82 PolarHBondContact OD1-N 3.03Å; D78-G83 WeakPolarHBondContact OD2-CA 3.33Å; D78-G83 PolarHBondContact OD2-N 3.15Å
79M76.7Confident83.3Confident129 Ų12959.7 Ų59.764%0.63532%0.323SS*.SBendtrans-78.4-29.4-176.5-64.6-159.579.900111A77 E89A77-M79 VanDerWaalsContact C-N 3.29Å; A77-M79 WeakPolarHBondContact O-CG 3.35Å; A77-M79 PolarHBondContact O-N 2.79Å; M79-E89 PolarHBondContact N-OE1 3.31Å
80N82.2Confident83.5Confident92 Ų9255.6 Ų55.649%0.49230%0.304SS..SBendtrans-83.4-17.5-179.177.322.2000112.4D78 D82 E89D78-N80 PolarHBondContact OD1-OD1 3.08Å; N80-D82 PolarHBondContact ND2-OD2 2.66Å; N80-D82 WeakPolarHBondContact OD1-CB 3.22Å; N80-D82 PolarHBondContact OD1-N 3.38Å; N80-D82 PolarHBondContact OD1-OD1 3.32Å; N80-D82 VanDerWaalsContact OD1-OD1 3.12Å; N80-D82 PolarHBondContact OD1-OD2 2.81Å; N80-E89 PolarHBondContact N-OE1 3.24Å
81G81.3Confident83.6Confident60 Ų6055.5 Ų55.562%0.61930%0.303SS*.  trans73.122.7177.800000114.2D78 G83D78-G81 WeakPolarHBondContact OD1-CA 3.35Å; D78-G81 PolarHBondContact OD1-N 3.49Å; G81-G83 VanDerWaalsContact C-N 3.29Å
82D85.7Confident83.5Confident90 Ų9054.1 Ų54.148%0.48130%0.295SS..SBendtrans-81.9-9.3-179.572.212000113D78 N80 E84D78-D82 PolarHBondContact OD1-N 3.03Å; N80-D82 PolarHBondContact ND2-OD2 2.66Å; N80-D82 WeakPolarHBondContact OD1-CB 3.22Å; N80-D82 PolarHBondContact OD1-N 3.38Å; N80-D82 PolarHBondContact OD1-OD1 3.32Å; N80-D82 VanDerWaalsContact OD1-OD1 3.12Å; N80-D82 PolarHBondContact OD1-OD2 2.81Å; D82-E84 VanDerWaalsContact C-N 3.31Å; D82-E84 WeakPolarHBondContact OD1-CA 3.39Å; D82-E84 PolarHBondContact OD1-N 3.45Å
83G82.7Confident83.4Confident40 Ų4049 Ų4941%0.41227%0.269SS..SBendtrans870.1179.400000114M74 D78 G81M74-G83 WeakPolarHBondContact CE-O 3.39Å; D78-G83 WeakPolarHBondContact OD2-CA 3.33Å; D78-G83 PolarHBondContact OD2-N 3.15Å; G81-G83 VanDerWaalsContact C-N 3.29Å
84E87.5Confident83.1Confident75 Ų7549.3 Ų49.335%0.3527%0.27SS..EExtended strand (participates in β ladder)trans-119.1167.9174.5-56.2-172.4155.500108.8T48 D82T48-E84 HydrophobicContact CG2-CB 4.38Å; T48-E84 PolarHBondContact OG1-OE2 3.47Å; D82-E84 VanDerWaalsContact C-N 3.31Å; D82-E84 WeakPolarHBondContact OD1-CA 3.39Å; D82-E84 PolarHBondContact OD1-N 3.45Å
85M87.2Confident82.7Confident0 Ų049.3 Ų49.30%027%0.271CS..EExtended strand (participates in β ladder)trans-123.6108.7-179.1-166.5-174.1-47.500108.8T48 V49 F54 M74 A77 E89 F90 L93T48-M85 CarbonylContact C-O 3.6Å; T48-M85 WeakPolarHBondContact CA-O 3.48Å; V49-M85 HydrophobicContact CB-CB 4.32Å; V49-M85 PolarHBondContact N-O 3.29Å; V49-M85 PolarHBondContact O-N 2.74Å; F54-M85 HydrophobicContact CB-CE 4.48Å; F54-M85 HydrophobicContact CD1-CE 4.08Å; F54-M85 HydrophobicContact CD2-CE 3.43Å; F54-M85 VanDerWaalsContact CD2-CE 3.43Å; F54-M85 HydrophobicContact CD2-SD 4.11Å; F54-M85 HydrophobicContact CE1-CE 4.17Å; F54-M85 HydrophobicContact CE2-CE 3.54Å; F54-M85 HydrophobicContact CE2-SD 4.01Å; F54-M85 HydrophobicContact CG-CE 3.73Å; F54-M85 HydrophobicContact CZ-CE 3.93Å; M74-M85 HydrophobicContact CE-CB 3.88Å; M74-M85 HydrophobicContact CE-CE 4.21Å; M74-M85 HydrophobicContact SD-CE 3.48Å; M74-M85 WeakPolarHBondContact SD-CE 3.17Å; A77-M85 HydrophobicContact CB-CE 3.34Å; A77-M85 HydrophobicContact CB-CG 4.11Å; A77-M85 HydrophobicContact CB-SD 3.55Å; A77-M85 VanDerWaalsContact CB-SD 3.55Å; M85-E89 HydrophobicContact CG-CB 3.78Å; M85-F90 HydrophobicContact CG-CB 4.28Å; M85-F90 HydrophobicContact SD-CB 3.95Å; M85-F90 HydrophobicContact SD-CD2 3.79Å; M85-F90 HydrophobicContact SD-CG 4.38Å; M85-L93 HydrophobicContact CE-CD2 4.26Å; M85-L93 HydrophobicContact SD-CD2 4.15Å
86A88.5Confident81.7Confident19 Ų1948.6 Ų48.616%0.15727%0.267CS..EExtended strand (participates in β ladder)trans-66.3162.7175.400000111.2D88 E89 F90A86-D88 VanDerWaalsContact CB-OD1 3.3Å; A86-D88 WeakPolarHBondContact CB-OD1 3.26Å; A86-D88 PolarHBondContact O-N 3Å; A86-E89 HydrophobicContact CB-CG 4.43Å; A86-E89 PolarHBondContact N-OE2 3.18Å; A86-E89 WeakPolarHBondContact O-CB 3.17Å; A86-E89 PolarHBondContact O-N 3.45Å; A86-E89 VanDerWaalsContact O-N 3.15Å; A86-F90 WeakPolarHBondContact O-CB 3.29Å; A86-F90 PolarHBondContact O-N 3.44Å
87F86.6Confident80.5Confident37 Ų3745.2 Ų45.216%0.16225%0.253CS..Hα-helixtrans-57.6-38.3178.9180-112000112.5I31 L34 R35 F38 F90 V91I31-F87 HydrophobicContact CG2-CE1 4.05Å; I31-F87 HydrophobicContact CG2-CZ 3.96Å; L34-F87 HydrophobicContact CB-CE2 4.4Å; R35-F87 VanDerWaalsContact CA-CE2 3.44Å; R35-F87 HydrophobicContact CB-CE2 3.73Å; R35-F87 HydrophobicContact CB-CZ 3.61Å; R35-F87 HydrophobicContact CG-CE2 4.19Å; R35-F87 HydrophobicContact CG-CZ 4.15Å; F38-F87 HydrophobicContact CB-CD2 3.79Å; F38-F87 HydrophobicContact CB-CE2 4.05Å; F38-F87 HydrophobicContact CD1-CD2 4.15Å; F38-F87 HydrophobicContact CD2-CB 4.34Å; F38-F87 AromaticContact CD2-CD2 3.76Å; F38-F87 HydrophobicContact CD2-CD2 3.76Å; F38-F87 HydrophobicContact CE1-CB 4.37Å; F38-F87 HydrophobicContact CE2-CB 4.07Å; F38-F87 HydrophobicContact CE2-CD2 4.34Å; F38-F87 AromaticContact CG-CD2 3.63Å; F38-F87 HydrophobicContact CG-CD2 3.63Å; F38-F87 HydrophobicContact CG-CE2 4.38Å; F38-F87 HydrophobicContact CZ-CB 4.08Å; F87-F90 PolarHBondContact O-N 2.99Å; F87-V91 HydrophobicContact CD1-CG2 4.33Å; F87-V91 HydrophobicContact CD2-CG2 4.28Å; F87-V91 HydrophobicContact CE1-CG2 3.86Å; F87-V91 HydrophobicContact CE2-CG2 3.77Å; F87-V91 HydrophobicContact CZ-CG2 3.55Å; F87-V91 VanDerWaalsContact O-CG2 3.27Å; F87-V91 WeakPolarHBondContact O-CG2 3.48Å; F87-V91 PolarHBondContact O-N 3.28Å
88D85.3Confident78.7Confident62 Ų6247.6 Ų47.633%0.33227%0.27SS..Hα-helixtrans-68.6-37.5178.363.8-74.2000112.8L20 A86 V91 R92L20-D88 HydrophobicContact CD1-CB 3.61Å; L20-D88 HydrophobicContact CD2-CB 3.84Å; L20-D88 HydrophobicContact CG-CB 4.2Å; A86-D88 VanDerWaalsContact CB-OD1 3.3Å; A86-D88 WeakPolarHBondContact CB-OD1 3.26Å; A86-D88 PolarHBondContact O-N 3Å; D88-V91 PolarHBondContact O-N 3.14Å; D88-R92 VanDerWaalsContact O-CB 3.29Å; D88-R92 WeakPolarHBondContact O-CB 3.48Å; D88-R92 WeakPolarHBondContact O-CG 3.05Å; D88-R92 PolarHBondContact O-N 3.3Å
89E86.3Confident76.5Confident5 Ų550.6 Ų50.62%0.02329%0.286CS..Hα-helixtrans-65.9-40.9173.4-70.5175.6135.700111.4A77 M79 N80 M85 A86 R92 L93A77-E89 WeakPolarHBondContact O-CB 3.31Å; M79-E89 PolarHBondContact N-OE1 3.31Å; N80-E89 PolarHBondContact N-OE1 3.24Å; M85-E89 HydrophobicContact CG-CB 3.78Å; A86-E89 HydrophobicContact CB-CG 4.43Å; A86-E89 PolarHBondContact N-OE2 3.18Å; A86-E89 WeakPolarHBondContact O-CB 3.17Å; A86-E89 PolarHBondContact O-N 3.45Å; A86-E89 VanDerWaalsContact O-N 3.15Å; E89-R92 PolarHBondContact O-N 3.43Å; E89-L93 WeakPolarHBondContact O-CB 3.49Å; E89-L93 PolarHBondContact O-N 3.31Å
90F83.7Confident74.8Confident0 Ų047.7 Ų47.70%028%0.282CS..Hα-helixtrans-62.5-44.2175.2-177.3-103000111.8L34 I37 F38 I41 F54 L57 M85 A86 F87 L93 L94L34-F90 HydrophobicContact CB-CE1 4.38Å; L34-F90 HydrophobicContact CD2-CE1 4.05Å; I37-F90 HydrophobicContact CG2-CE1 4.19Å; I37-F90 HydrophobicContact CG2-CZ 3.78Å; F38-F90 HydrophobicContact CB-CD1 4.3Å; F38-F90 HydrophobicContact CB-CE1 4.34Å; F38-F90 HydrophobicContact CD2-CB 3.85Å; F38-F90 AromaticContact CD2-CD1 3.88Å; F38-F90 HydrophobicContact CD2-CD1 3.88Å; F38-F90 HydrophobicContact CD2-CD2 4.45Å; F38-F90 AromaticContact CD2-CG 3.81Å; F38-F90 HydrophobicContact CD2-CG 3.81Å; F38-F90 HydrophobicContact CE2-CB 4.04Å; F38-F90 HydrophobicContact CE2-CG 4.43Å; I41-F90 HydrophobicContact CD1-CE2 4.43Å; I41-F90 HydrophobicContact CD1-CZ 4.23Å; F54-F90 HydrophobicContact CD2-CD2 4.46Å; F54-F90 HydrophobicContact CD2-CE2 4.34Å; F54-F90 HydrophobicContact CE2-CD2 4.23Å; F54-F90 HydrophobicContact CE2-CE2 4.07Å; L57-F90 HydrophobicContact CD2-CE2 3.7Å; L57-F90 HydrophobicContact CD2-CZ 3.75Å; M85-F90 HydrophobicContact CG-CB 4.28Å; M85-F90 HydrophobicContact SD-CB 3.95Å; M85-F90 HydrophobicContact SD-CD2 3.79Å; M85-F90 HydrophobicContact SD-CG 4.38Å; A86-F90 WeakPolarHBondContact O-CB 3.29Å; A86-F90 PolarHBondContact O-N 3.44Å; F87-F90 PolarHBondContact O-N 2.99Å; F90-L93 PolarHBondContact O-N 2.97Å; F90-L94 HydrophobicContact CD1-CD1 3.97Å; F90-L94 HydrophobicContact CD2-CD1 4.28Å; F90-L94 HydrophobicContact CE1-CD1 3.4Å; F90-L94 HydrophobicContact CE2-CD1 3.74Å; F90-L94 HydrophobicContact CG-CD1 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.26Å; F90-L94 PolarHBondContact O-N 2.98Å; F90-L94 VanDerWaalsContact O-N 3.09Å
91V84.9Confident72.8Confident0 Ų047.8 Ų47.80%028%0.28CS..Hα-helixtrans-65.3-44.3174.9174.80000110.3L20 V26 L34 F87 D88 L93 L94 S95L20-V91 HydrophobicContact CD2-CB 3.61Å; L20-V91 HydrophobicContact CD2-CG1 3.65Å; L20-V91 HydrophobicContact CD2-CG2 4.15Å; V26-V91 HydrophobicContact CG1-CG1 3.75Å; V26-V91 HydrophobicContact CG2-CG1 4.3Å; L34-V91 HydrophobicContact CB-CG2 4.21Å; L34-V91 HydrophobicContact CD1-CB 4.2Å; L34-V91 HydrophobicContact CD1-CG1 3.95Å; L34-V91 HydrophobicContact CD1-CG2 3.88Å; F87-V91 HydrophobicContact CD1-CG2 4.33Å; F87-V91 HydrophobicContact CD2-CG2 4.28Å; F87-V91 HydrophobicContact CE1-CG2 3.86Å; F87-V91 HydrophobicContact CE2-CG2 3.77Å; F87-V91 HydrophobicContact CZ-CG2 3.55Å; F87-V91 VanDerWaalsContact O-CG2 3.27Å; F87-V91 WeakPolarHBondContact O-CG2 3.48Å; F87-V91 PolarHBondContact O-N 3.28Å; D88-V91 PolarHBondContact O-N 3.14Å; V91-L93 VanDerWaalsContact C-N 3.35Å; V91-L93 PolarHBondContact O-N 3.13Å; V91-L94 PolarHBondContact O-N 3.12Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.01Å; V91-S95 PolarHBondContact O-OG 2.79Å
92R80.6Confident70.8Confident77 Ų7751.2 Ų51.229%0.29128%0.279SS..Hα-helixtrans-58.9-43.8175.9-86.5174.4165.7-166.10.3112.3D23 C24 D88 E89 S95 N96D23-R92 IonicContact OD1-CZ 2.92Å; D23-R92 IonicContact OD1-NH2 3.67Å; D23-R92 PolarHBondContact OD1-NH2 2.97Å; C24-R92 WeakPolarHBondContact SG-CG 3.38Å; D88-R92 VanDerWaalsContact O-CB 3.29Å; D88-R92 WeakPolarHBondContact O-CB 3.48Å; D88-R92 WeakPolarHBondContact O-CG 3.05Å; D88-R92 PolarHBondContact O-N 3.3Å; E89-R92 PolarHBondContact O-N 3.43Å; R92-S95 PolarHBondContact O-N 3.47Å; R92-N96 VanDerWaalsContact O-CB 3.22Å; R92-N96 WeakPolarHBondContact O-CB 3.39Å; R92-N96 PolarHBondContact O-N 3.4Å
93L79.9Confident68.8Low17 Ų1753.6 Ų53.69%0.08929%0.288CS..Hα-helixtrans-60.3-52.5177.6-177.371.5000110.9F54 A77 M85 E89 F90 V91 S95 N96 E97F54-L93 HydrophobicContact CE1-CD2 4.47Å; F54-L93 HydrophobicContact CE2-CD2 3.8Å; F54-L93 HydrophobicContact CZ-CD2 3.45Å; F54-L93 VanDerWaalsContact CZ-CD2 3.45Å; A77-L93 HydrophobicContact CB-CB 3.85Å; A77-L93 HydrophobicContact CB-CD1 3.55Å; A77-L93 HydrophobicContact CB-CD2 3.58Å; A77-L93 HydrophobicContact CB-CG 3.81Å; M85-L93 HydrophobicContact CE-CD2 4.26Å; M85-L93 HydrophobicContact SD-CD2 4.15Å; E89-L93 WeakPolarHBondContact O-CB 3.49Å; E89-L93 PolarHBondContact O-N 3.31Å; F90-L93 PolarHBondContact O-N 2.97Å; V91-L93 VanDerWaalsContact C-N 3.35Å; V91-L93 PolarHBondContact O-N 3.13Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 2.93Å; L93-N96 PolarHBondContact O-N 3.45Å; L93-E97 PolarHBondContact O-N 2.61Å
94L75.9Confident67.2Low36 Ų3654 Ų5419%0.18828%0.282CS..Hα-helixtrans-74.5-20.3-176.6-71.3171.1000113.3L34 F90 V91L34-L94 HydrophobicContact CD2-CB 4.09Å; L34-L94 HydrophobicContact CD2-CD1 3.34Å; L34-L94 HydrophobicContact CD2-CG 4.35Å; F90-L94 HydrophobicContact CD1-CD1 3.97Å; F90-L94 HydrophobicContact CD2-CD1 4.28Å; F90-L94 HydrophobicContact CE1-CD1 3.4Å; F90-L94 HydrophobicContact CE2-CD1 3.74Å; F90-L94 HydrophobicContact CG-CD1 4.39Å; F90-L94 HydrophobicContact CZ-CD1 3.26Å; F90-L94 PolarHBondContact O-N 2.98Å; F90-L94 VanDerWaalsContact O-N 3.09Å; V91-L94 PolarHBondContact O-N 3.12Å
95S73.3Confident65.7Low6 Ų651.9 Ų51.94%0.04228%0.276CS..Hα-helixtrans-83.2-39.4172.3-510000111.2C24 V26 V91 R92 L93 E97 S98 D99C24-S95 WeakPolarHBondContact O-CB 3.43Å; V26-S95 VanDerWaalsContact CG1-OG 3.25Å; V26-S95 WeakPolarHBondContact CG1-OG 3.47Å; V91-S95 WeakPolarHBondContact O-CB 3.47Å; V91-S95 PolarHBondContact O-N 3.01Å; V91-S95 PolarHBondContact O-OG 2.79Å; R92-S95 PolarHBondContact O-N 3.47Å; L93-S95 VanDerWaalsContact C-N 3.29Å; L93-S95 PolarHBondContact O-N 2.93Å; S95-E97 VanDerWaalsContact C-N 3.3Å; S95-E97 PolarHBondContact O-N 2.92Å; S95-S98 WeakPolarHBondContact O-CB 3.06Å; S95-S98 PolarHBondContact O-N 2.62Å; S95-S98 VanDerWaalsContact O-N 3.16Å; S95-S98 PolarHBondContact O-OG 3.04Å; S95-D99 PolarHBondContact O-N 2.8Å
96N61.4Low64.5Low99 Ų9955.1 Ų55.153%0.52930%0.302SS..Hα-helixtrans-70.9-23.6172.3-92.3-19.9000113R92 L93 D99 A100R92-N96 VanDerWaalsContact O-CB 3.22Å; R92-N96 WeakPolarHBondContact O-CB 3.39Å; R92-N96 PolarHBondContact O-N 3.4Å; L93-N96 PolarHBondContact O-N 3.45Å; N96-D99 PolarHBondContact O-N 2.84Å; N96-A100 VanDerWaalsContact O-CB 3.29Å; N96-A100 WeakPolarHBondContact O-CB 3.31Å; N96-A100 PolarHBondContact O-N 3.24Å
97E55.2Low63.4Low85 Ų8555.1 Ų55.140%0.39730%0.3SS..Hα-helixtrans-67-29.6171.1-127.1-165.5123.600111.2L93 S95 H101L93-E97 PolarHBondContact O-N 2.61Å; S95-E97 VanDerWaalsContact C-N 3.3Å; S95-E97 PolarHBondContact O-N 2.92Å; E97-H101 WeakPolarHBondContact O-CB 3.37Å; E97-H101 PolarHBondContact O-N 3.28Å
98S42.9Very low62.7Low53 Ų5359 Ų5937%0.37131%0.314SS..Hα-helixtrans-65.9-55.4163.916.60000110.7S95 A100 H101 E102S95-S98 WeakPolarHBondContact O-CB 3.06Å; S95-S98 PolarHBondContact O-N 2.62Å; S95-S98 VanDerWaalsContact O-N 3.16Å; S95-S98 PolarHBondContact O-OG 3.04Å; S98-A100 PolarHBondContact O-N 3.02Å; S98-H101 CarbonylContact O-C 3.56Å; S98-H101 WeakPolarHBondContact O-CA 3.27Å; S98-H101 PolarHBondContact O-N 3.16Å; S98-E102 WeakPolarHBondContact O-CB 3.3Å; S98-E102 PolarHBondContact O-N 3.4Å
99D39.8Very low62.2Low81 Ų8161.6 Ų61.643%0.43332%0.324SS..Hα-helixtrans-64.6-35.7-174.9-72.1-80.7000115.1S95 N96 H101S95-D99 PolarHBondContact O-N 2.8Å; N96-D99 PolarHBondContact O-N 2.84Å; D99-H101 VanDerWaalsContact C-N 3.26Å; D99-H101 PolarHBondContact O-N 2.91Å
100A39.8Very low61.8Low67 Ų6762.9 Ų62.955%0.55434%0.335SS*.Hα-helixtrans-74.7-18.6174.600000112.8N96 S98N96-A100 VanDerWaalsContact O-CB 3.29Å; N96-A100 WeakPolarHBondContact O-CB 3.31Å; N96-A100 PolarHBondContact O-N 3.24Å; S98-A100 PolarHBondContact O-N 3.02Å
101H39.4Very low61.6Low95 Ų9563.3 Ų63.344%0.4434%0.337SS..Hα-helixtrans-101.6-11.8175.1-156.3-79.3000112.5E97 S98 D99 V104 S105E97-H101 WeakPolarHBondContact O-CB 3.37Å; E97-H101 PolarHBondContact O-N 3.28Å; S98-H101 CarbonylContact O-C 3.56Å; S98-H101 WeakPolarHBondContact O-CA 3.27Å; S98-H101 PolarHBondContact O-N 3.16Å; D99-H101 VanDerWaalsContact C-N 3.26Å; D99-H101 PolarHBondContact O-N 2.91Å; H101-V104 CarbonylContact O-C 3.53Å; H101-S105 VanDerWaalsContact O-CA 3.26Å; H101-S105 WeakPolarHBondContact O-CA 3.46Å; H101-S105 WeakPolarHBondContact O-CB 3.45Å; H101-S105 PolarHBondContact O-N 3.33Å
102E39.7Very low61.4Low131 Ų13167.7 Ų67.761%0.61236%0.358SS*.Hα-helixtrans-91.1-39.4-170-155.3153.9104.700112.7S98 V104 S105 A106S98-E102 WeakPolarHBondContact O-CB 3.3Å; S98-E102 PolarHBondContact O-N 3.4Å; E102-V104 VanDerWaalsContact C-N 3.25Å; E102-V104 PolarHBondContact O-N 2.85Å; E102-S105 PolarHBondContact O-N 2.83Å; E102-A106 PolarHBondContact O-N 2.87Å
103E44.1Very low61.4Low141 Ų14168.4 Ų68.466%0.65937%0.37SS*.Hα-helixtrans-70.8-29.2169.9-157.3172.7100.900111.1T107E103-T107 PolarHBondContact O-OG1 3.38Å
104V49.1Very low61.5Low48 Ų4869.6 Ų69.629%0.29138%0.375SS..Hα-helixtrans-75.9-35.2170167.50000111.4H101 E102 T107 R108 Y160H101-V104 CarbonylContact O-C 3.53Å; E102-V104 VanDerWaalsContact C-N 3.25Å; E102-V104 PolarHBondContact O-N 2.85Å; V104-T107 PolarHBondContact O-N 3.45Å; V104-R108 HydrophobicContact CG1-CB 4.11Å; V104-R108 WeakPolarHBondContact O-CA 3.25Å; V104-R108 WeakPolarHBondContact O-CB 3.49Å; V104-R108 PolarHBondContact O-N 3.09Å; V104-Y160 VanDerWaalsContact CG1-OH 3.31Å; V104-Y160 WeakPolarHBondContact CG1-OH 3.38Å
105S55.2Low62Low31 Ų3168 Ų6822%0.21737%0.367CS..Hα-helixtrans-66-48.4-173.8-164.30000110.6H101 E102 T107 R108 E109H101-S105 VanDerWaalsContact O-CA 3.26Å; H101-S105 WeakPolarHBondContact O-CA 3.46Å; H101-S105 WeakPolarHBondContact O-CB 3.45Å; H101-S105 PolarHBondContact O-N 3.33Å; E102-S105 PolarHBondContact O-N 2.83Å; S105-T107 VanDerWaalsContact C-N 3.31Å; S105-T107 PolarHBondContact O-N 2.81Å; S105-R108 PolarHBondContact O-N 3.47Å; S105-E109 WeakPolarHBondContact O-CA 3.38Å; S105-E109 WeakPolarHBondContact O-CB 3.28Å; S105-E109 WeakPolarHBondContact O-CG 3.29Å; S105-E109 PolarHBondContact O-N 3.25Å; S105-E109 PolarHBondContact OG-OE2 2.98Å
106A62Low62.2Low67 Ų6770.5 Ų70.555%0.55438%0.382SS*.Hα-helixtrans-63.9-41.9179.400000111.3E102 A110E102-A106 PolarHBondContact O-N 2.87Å; A106-A110 VanDerWaalsContact O-CB 3.25Å; A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.43Å
107T66.9Low63.3Low19 Ų1970.6 Ų70.612%0.11738%0.382CS..Hα-helixtrans-69.2-39.6-179.7-50.90000112.1E103 V104 S105 F111 F163 V164 L167E103-T107 PolarHBondContact O-OG1 3.38Å; V104-T107 PolarHBondContact O-N 3.45Å; S105-T107 VanDerWaalsContact C-N 3.31Å; S105-T107 PolarHBondContact O-N 2.81Å; T107-F111 VanDerWaalsContact O-CB 3.31Å; T107-F111 WeakPolarHBondContact O-CB 3.5Å; T107-F111 PolarHBondContact O-N 3.34Å; T107-F163 HydrophobicContact CG2-CD1 3.78Å; T107-F163 HydrophobicContact CG2-CE1 4.04Å; T107-V164 HydrophobicContact CG2-CB 4.33Å; T107-V164 HydrophobicContact CG2-CG2 3.5Å; T107-L167 HydrophobicContact CG2-CD1 3.39Å
108R70.5Confident64.4Low119 Ų11971.5 Ų71.545%0.44939%0.39SS..Hα-helixtrans-77.2-38.4179.8-174-178.2-177.3161.99.9111.9V104 S105 A110 F111 E112 Y160V104-R108 HydrophobicContact CG1-CB 4.11Å; V104-R108 WeakPolarHBondContact O-CA 3.25Å; V104-R108 WeakPolarHBondContact O-CB 3.49Å; V104-R108 PolarHBondContact O-N 3.09Å; S105-R108 PolarHBondContact O-N 3.47Å; R108-A110 VanDerWaalsContact C-N 3.33Å; R108-F111 CarbonylContact O-C 3.34Å; R108-F111 WeakPolarHBondContact O-CB 3.42Å; R108-F111 PolarHBondContact O-N 3.19Å; R108-E112 WeakPolarHBondContact CG-OE2 3.2Å; R108-E112 IonicContact NE-OE2 3.84Å; R108-E112 PolarHBondContact NE-OE2 3.14Å; R108-E112 WeakPolarHBondContact O-CB 3.18Å; R108-E112 WeakPolarHBondContact O-CG 3.22Å; R108-E112 PolarHBondContact O-N 3.31Å; R108-Y160 HydrophobicContact CB-CE2 3.99Å; R108-Y160 HydrophobicContact CG-CE2 4.32Å
109E74.9Confident66.3Low116 Ų11672.6 Ų72.654%0.54239%0.391SS..Hα-helixtrans-64-41.9170.5-76.2176.186.500110.1S105 F111 V113S105-E109 WeakPolarHBondContact O-CA 3.38Å; S105-E109 WeakPolarHBondContact O-CB 3.28Å; S105-E109 WeakPolarHBondContact O-CG 3.29Å; S105-E109 PolarHBondContact O-N 3.25Å; S105-E109 PolarHBondContact OG-OE2 2.98Å; E109-F111 VanDerWaalsContact C-N 3.35Å; E109-V113 WeakPolarHBondContact O-CB 3.4Å; E109-V113 WeakPolarHBondContact O-CG2 3.41Å; E109-V113 PolarHBondContact O-N 3.37Å
110A78.2Confident68.3Low32 Ų3270.3 Ų70.326%0.26439%0.387SS..Hα-helixtrans-59.8-48.7170.800000110.3A106 R108 E112 V113 F114 F163A106-A110 VanDerWaalsContact O-CB 3.25Å; A106-A110 WeakPolarHBondContact O-CB 3.37Å; A106-A110 PolarHBondContact O-N 3.43Å; R108-A110 VanDerWaalsContact C-N 3.33Å; A110-E112 PolarHBondContact O-N 2.87Å; A110-V113 WeakPolarHBondContact O-CB 3.39Å; A110-V113 PolarHBondContact O-N 3.25Å; A110-V113 VanDerWaalsContact O-N 3.12Å; A110-F114 WeakPolarHBondContact O-CD2 3.29Å; A110-F114 PolarHBondContact O-N 2.75Å; A110-F163 HydrophobicContact CB-CE1 3.96Å; A110-F163 HydrophobicContact CB-CZ 4.1Å
111F80Confident70.6Confident9 Ų971.8 Ų71.84%0.03938%0.379CS..Hα-helixtrans-57.8-48.1178.6-166-87.2000112.1T107 R108 E109 V113 F114 D115 G120 I122 Y160 F163T107-F111 VanDerWaalsContact O-CB 3.31Å; T107-F111 WeakPolarHBondContact O-CB 3.5Å; T107-F111 PolarHBondContact O-N 3.34Å; R108-F111 CarbonylContact O-C 3.34Å; R108-F111 WeakPolarHBondContact O-CB 3.42Å; R108-F111 PolarHBondContact O-N 3.19Å; E109-F111 VanDerWaalsContact C-N 3.35Å; F111-V113 VanDerWaalsContact C-N 3.28Å; F111-V113 PolarHBondContact O-N 3.17Å; F111-F114 CarbonylContact O-C 3.35Å; F111-F114 WeakPolarHBondContact O-CA 3.4Å; F111-F114 PolarHBondContact O-N 3.02Å; F111-D115 HydrophobicContact CD1-CB 4.02Å; F111-D115 HydrophobicContact CE1-CB 3.83Å; F111-D115 VanDerWaalsContact O-CB 3.3Å; F111-D115 WeakPolarHBondContact O-CB 3.47Å; F111-D115 PolarHBondContact O-N 2.98Å; F111-G120 WeakPolarHBondContact CZ-O 3.26Å; F111-I122 HydrophobicContact CD2-CD1 3.37Å; F111-I122 HydrophobicContact CD2-CG1 3.99Å; F111-I122 HydrophobicContact CE1-CG1 4.34Å; F111-I122 HydrophobicContact CE2-CD1 3.4Å; F111-I122 HydrophobicContact CE2-CG1 3.61Å; F111-I122 HydrophobicContact CG-CD1 4.06Å; F111-I122 HydrophobicContact CZ-CD1 4.11Å; F111-I122 HydrophobicContact CZ-CG1 3.81Å; F111-Y160 HydrophobicContact CB-CD2 4.11Å; F111-Y160 HydrophobicContact CB-CE2 4.45Å; F111-Y160 HydrophobicContact CD1-CD2 4.26Å; F111-Y160 HydrophobicContact CD2-CD2 4.03Å; F111-Y160 VanDerWaalsContact CE2-CA 3.46Å; F111-Y160 AromaticContact CG-CD2 3.86Å; F111-Y160 HydrophobicContact CG-CD2 3.86Å; F111-F163 HydrophobicContact CB-CD1 4.25Å; F111-F163 HydrophobicContact CB-CE1 4.4Å; F111-F163 HydrophobicContact CD2-CB 3.72Å; F111-F163 AromaticContact CD2-CD1 3.88Å; F111-F163 HydrophobicContact CD2-CD1 3.88Å; F111-F163 HydrophobicContact CD2-CD2 4.46Å; F111-F163 AromaticContact CD2-CG 3.78Å; F111-F163 HydrophobicContact CD2-CG 3.78Å; F111-F163 HydrophobicContact CE2-CB 3.98Å; F111-F163 HydrophobicContact CE2-CG 4.42Å
112E80.6Confident72.8Confident92 Ų9267.4 Ų67.443%0.4336%0.359SS..Hα-helixtrans-67.4-25.9177.2-75.9-179.160.600113R108 A110 F114R108-E112 WeakPolarHBondContact CG-OE2 3.2Å; R108-E112 IonicContact NE-OE2 3.84Å; R108-E112 PolarHBondContact NE-OE2 3.14Å; R108-E112 WeakPolarHBondContact O-CB 3.18Å; R108-E112 WeakPolarHBondContact O-CG 3.22Å; R108-E112 PolarHBondContact O-N 3.31Å; A110-E112 PolarHBondContact O-N 2.87Å; E112-F114 VanDerWaalsContact C-N 3.35Å
113V81.6Confident75.1Confident92 Ų9263 Ų6356%0.55834%0.341SS*.Hα-helixtrans-72.1-34.5170.8168.50000110.6E109 A110 F111 V130E109-V113 WeakPolarHBondContact O-CB 3.4Å; E109-V113 WeakPolarHBondContact O-CG2 3.41Å; E109-V113 PolarHBondContact O-N 3.37Å; A110-V113 WeakPolarHBondContact O-CB 3.39Å; A110-V113 PolarHBondContact O-N 3.25Å; A110-V113 VanDerWaalsContact O-N 3.12Å; F111-V113 VanDerWaalsContact C-N 3.28Å; F111-V113 PolarHBondContact O-N 3.17Å; V113-V130 HydrophobicContact CG1-CG1 4.09Å; V113-V130 VanDerWaalsContact O-CG2 3.28Å; V113-V130 WeakPolarHBondContact O-CG2 3.48Å
114F81.8Confident77.1Confident42 Ų4257.6 Ų57.618%0.18432%0.32CS..Hα-helixtrans-79.5-44.9177.4-77-72.8000113A110 F111 E112 T116 I122 E126 L127 V130 F163A110-F114 WeakPolarHBondContact O-CD2 3.29Å; A110-F114 PolarHBondContact O-N 2.75Å; F111-F114 CarbonylContact O-C 3.35Å; F111-F114 WeakPolarHBondContact O-CA 3.4Å; F111-F114 PolarHBondContact O-N 3.02Å; E112-F114 VanDerWaalsContact C-N 3.35Å; F114-T116 PolarHBondContact O-N 3.22Å; F114-I122 HydrophobicContact CB-CD1 3.5Å; F114-I122 HydrophobicContact CB-CG1 3.82Å; F114-I122 HydrophobicContact CB-CG2 4.11Å; F114-I122 HydrophobicContact CG-CD1 4.28Å; F114-E126 WeakPolarHBondContact O-CB 3.34Å; F114-L127 HydrophobicContact CD1-CD1 3.64Å; F114-L127 HydrophobicContact CE1-CD1 3.63Å; F114-V130 HydrophobicContact CD1-CB 3.69Å; F114-V130 HydrophobicContact CD1-CG1 3.48Å; F114-V130 VanDerWaalsContact CD1-CG1 3.48Å; F114-V130 HydrophobicContact CD1-CG2 4.17Å; F114-V130 HydrophobicContact CE1-CB 3.98Å; F114-V130 HydrophobicContact CE1-CG1 3.51Å; F114-V130 HydrophobicContact CG-CG1 4.21Å; F114-V130 HydrophobicContact CZ-CG1 4.24Å; F114-F163 HydrophobicContact CD2-CE2 4.24Å; F114-F163 HydrophobicContact CD2-CZ 4.02Å; F114-F163 HydrophobicContact CE2-CE2 4.49Å; F114-F163 HydrophobicContact CE2-CZ 4.19Å
115D84.9Confident78.9Confident4 Ų459.6 Ų59.62%0.02134%0.336CS..  trans-79.390177.2178.21.3000109.7F111 D117 N118 D119 G120 I122F111-D115 HydrophobicContact CD1-CB 4.02Å; F111-D115 HydrophobicContact CE1-CB 3.83Å; F111-D115 VanDerWaalsContact O-CB 3.3Å; F111-D115 WeakPolarHBondContact O-CB 3.47Å; F111-D115 PolarHBondContact O-N 2.98Å; D115-D117 PolarHBondContact OD1-N 3.15Å; D115-N118 PolarHBondContact O-ND2 2.99Å; D115-N118 VanDerWaalsContact O-ND2 3.15Å; D115-N118 WeakPolarHBondContact OD1-CA 3.18Å; D115-N118 PolarHBondContact OD1-N 3.17Å; D115-N118 WeakPolarHBondContact OD2-CA 3.27Å; D115-D119 PolarHBondContact OD1-N 2.92Å; D115-D119 PolarHBondContact OD2-N 3.11Å; D115-G120 WeakPolarHBondContact OD2-CA 3.25Å; D115-G120 PolarHBondContact OD2-N 3.41Å; D115-I122 HydrophobicContact CB-CG1 4.2Å
116T78.1Confident80.5Confident58 Ų5858.6 Ų58.636%0.35633%0.328SS..SBendtrans-77-24.2-173.821.10000113.3F114 E126F114-T116 PolarHBondContact O-N 3.22Å; T116-E126 PolarHBondContact N-OE1 2.91Å; T116-E126 WeakPolarHBondContact OG1-CG 3.33Å; T116-E126 PolarHBondContact OG1-OE1 2.74Å
117D84.2Confident81.6Confident101 Ų10156.2 Ų56.254%0.5431%0.306SS..SBendtrans-99.5-5.2178.970.812.8000113.9D115 D119 E126D115-D117 PolarHBondContact OD1-N 3.15Å; D117-D119 PolarHBondContact O-N 3.25Å; D117-D119 VanDerWaalsContact OD1-CB 3.23Å; D117-D119 WeakPolarHBondContact OD1-CB 3.37Å; D117-D119 PolarHBondContact OD1-N 2.98Å; D117-E126 PolarHBondContact N-OE1 2.82Å
118N77.9Confident82.5Confident103 Ų10361 Ų6155%0.55132%0.322SS*.  trans57.933.9179.9-87.3-118.1000112.1D115D115-N118 PolarHBondContact O-ND2 2.99Å; D115-N118 VanDerWaalsContact O-ND2 3.15Å; D115-N118 WeakPolarHBondContact OD1-CA 3.18Å; D115-N118 PolarHBondContact OD1-N 3.17Å; D115-N118 WeakPolarHBondContact OD2-CA 3.27Å
119D84.2Confident83.2Confident76 Ų7659.9 Ų59.941%0.40632%0.322SS..SBendtrans-79.2-10.6175.183.5-10.9000112.8D115 D117 Y121D115-D119 PolarHBondContact OD1-N 2.92Å; D115-D119 PolarHBondContact OD2-N 3.11Å; D117-D119 PolarHBondContact O-N 3.25Å; D117-D119 VanDerWaalsContact OD1-CB 3.23Å; D117-D119 WeakPolarHBondContact OD1-CB 3.37Å; D117-D119 PolarHBondContact OD1-N 2.98Å; D119-Y121 HydrophobicContact CB-CD2 4.46Å; D119-Y121 WeakPolarHBondContact O-CD2 3.43Å; D119-Y121 WeakPolarHBondContact O-CE2 3.34Å; D119-Y121 WeakPolarHBondContact OD1-CA 3.33Å; D119-Y121 WeakPolarHBondContact OD1-CD2 3.27Å; D119-Y121 PolarHBondContact OD1-N 3.43Å
120G82Confident83.6Confident33 Ų3354.6 Ų54.634%0.3430%0.297SS..SBendtrans93.48.1179.800000114.2F111 D115F111-G120 WeakPolarHBondContact CZ-O 3.26Å; D115-G120 WeakPolarHBondContact OD2-CA 3.25Å; D115-G120 PolarHBondContact OD2-N 3.41Å
121Y86.8Confident83.8Confident99 Ų9954.7 Ų54.739%0.38829%0.293SS..EExtended strand (participates in β ladder)trans-136.3134.6-179-46.1-91.1000110.3D119 T123 K157 V158 T159D119-Y121 HydrophobicContact CB-CD2 4.46Å; D119-Y121 WeakPolarHBondContact O-CD2 3.43Å; D119-Y121 WeakPolarHBondContact O-CE2 3.34Å; D119-Y121 WeakPolarHBondContact OD1-CA 3.33Å; D119-Y121 WeakPolarHBondContact OD1-CD2 3.27Å; D119-Y121 PolarHBondContact OD1-N 3.43Å; Y121-T123 PolarHBondContact O-N 3.42Å; Y121-K157 HydrophobicContact CG-CD 4.5Å; Y121-V158 CarbonylContact C-O 3.59Å; Y121-V158 WeakPolarHBondContact CA-O 3.31Å; Y121-T159 HydrophobicContact CD1-CG2 3.73Å; Y121-T159 HydrophobicContact CE1-CG2 3.87Å
122I86.4Confident84Confident3 Ų357.8 Ų57.82%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-90.2113173.3-59.4163.1000108.6F111 F114 D115 L127 V158 F163F111-I122 HydrophobicContact CD2-CD1 3.37Å; F111-I122 HydrophobicContact CD2-CG1 3.99Å; F111-I122 HydrophobicContact CE1-CG1 4.34Å; F111-I122 HydrophobicContact CE2-CD1 3.4Å; F111-I122 HydrophobicContact CE2-CG1 3.61Å; F111-I122 HydrophobicContact CG-CD1 4.06Å; F111-I122 HydrophobicContact CZ-CD1 4.11Å; F111-I122 HydrophobicContact CZ-CG1 3.81Å; F114-I122 HydrophobicContact CB-CD1 3.5Å; F114-I122 HydrophobicContact CB-CG1 3.82Å; F114-I122 HydrophobicContact CB-CG2 4.11Å; F114-I122 HydrophobicContact CG-CD1 4.28Å; D115-I122 HydrophobicContact CB-CG1 4.2Å; I122-L127 HydrophobicContact CG2-CB 4.07Å; I122-V158 HydrophobicContact CB-CB 4.24Å; I122-V158 PolarHBondContact N-O 2.91Å; I122-V158 PolarHBondContact O-N 2.87Å; I122-F163 HydrophobicContact CD1-CD2 3.86Å; I122-F163 HydrophobicContact CD1-CE2 4.13Å; I122-F163 HydrophobicContact CD1-CG 4.33Å
123T87.7Confident83.9Confident39 Ų3962.9 Ų62.924%0.23933%0.328CS..EExtended strand (participates in β ladder)trans-88.1161.4174.864.50000112.5Y121 S125 E126 L127Y121-T123 PolarHBondContact O-N 3.42Å; T123-S125 PolarHBondContact O-N 3.34Å; T123-S125 VanDerWaalsContact O-N 3.16Å; T123-E126 PolarHBondContact N-OE2 2.96Å; T123-E126 PolarHBondContact O-N 3.46Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.2Å; T123-E126 PolarHBondContact OG1-OE2 3.32Å; T123-L127 PolarHBondContact O-N 2.87Å
124A86.3Confident83.6Confident26 Ų2663.8 Ų63.822%0.21533%0.333CS..Hα-helixtrans-53.7-36.4175.100000113.8E126 R128 V143 L147A124-E126 VanDerWaalsContact C-N 3.33Å; A124-R128 VanDerWaalsContact O-CB 3.24Å; A124-R128 WeakPolarHBondContact O-CB 3.18Å; A124-R128 PolarHBondContact O-N 2.8Å; A124-R128 VanDerWaalsContact O-N 3.12Å; A124-V143 HydrophobicContact CB-CG1 4.23Å; A124-V143 WeakPolarHBondContact O-CG1 3.45Å; A124-L147 HydrophobicContact CB-CD1 3.55Å
125S86.8Confident83.3Confident91 Ų9164.6 Ų64.664%0.63635%0.354SS*.Hα-helixtrans-67.3-37.1178.2-76.10000112T123 Q129T123-S125 PolarHBondContact O-N 3.34Å; T123-S125 VanDerWaalsContact O-N 3.16Å; S125-Q129 WeakPolarHBondContact O-CB 3.46Å; S125-Q129 PolarHBondContact O-N 2.82Å
126E88.4Confident82.8Confident9 Ų970.4 Ų70.44%0.04238%0.38CS..Hα-helixtrans-76.9-46.2-178.3-65.2177.1106.200111.8F114 T116 D117 T123 A124 R128 Q129 V130F114-E126 WeakPolarHBondContact O-CB 3.34Å; T116-E126 PolarHBondContact N-OE1 2.91Å; T116-E126 WeakPolarHBondContact OG1-CG 3.33Å; T116-E126 PolarHBondContact OG1-OE1 2.74Å; D117-E126 PolarHBondContact N-OE1 2.82Å; T123-E126 PolarHBondContact N-OE2 2.96Å; T123-E126 PolarHBondContact O-N 3.46Å; T123-E126 VanDerWaalsContact OG1-CG 3.27Å; T123-E126 WeakPolarHBondContact OG1-CG 3.2Å; T123-E126 PolarHBondContact OG1-OE2 3.32Å; A124-E126 VanDerWaalsContact C-N 3.33Å; E126-R128 PolarHBondContact O-N 2.92Å; E126-Q129 WeakPolarHBondContact O-CA 3.48Å; E126-Q129 WeakPolarHBondContact O-CB 3.34Å; E126-Q129 PolarHBondContact O-N 3.44Å; E126-V130 WeakPolarHBondContact O-CG2 3.47Å; E126-V130 PolarHBondContact O-N 3.38Å
127L85.7Confident82.6Confident17 Ų1773.1 Ų73.19%0.08940%0.401CS..Hα-helixtrans-52.8-46.2172.6-173.167.1000110.6F114 I122 T123 V130 M131 V143 M146 L147F114-L127 HydrophobicContact CD1-CD1 3.64Å; F114-L127 HydrophobicContact CE1-CD1 3.63Å; I122-L127 HydrophobicContact CG2-CB 4.07Å; T123-L127 PolarHBondContact O-N 2.87Å; L127-V130 PolarHBondContact O-N 3.29Å; L127-M131 WeakPolarHBondContact O-CB 3.32Å; L127-M131 VanDerWaalsContact O-CG 3.31Å; L127-M131 WeakPolarHBondContact O-CG 3.47Å; L127-M131 PolarHBondContact O-N 2.95Å; L127-V143 HydrophobicContact CB-CG1 4.32Å; L127-V143 HydrophobicContact CD2-CG1 4.12Å; L127-V143 HydrophobicContact CG-CG1 4.45Å; L127-M146 HydrophobicContact CD2-CB 4.1Å; L127-L147 HydrophobicContact CB-CD1 4.37Å; L127-L147 HydrophobicContact CD2-CD1 3.92Å; L127-L147 HydrophobicContact CD2-CG 4.33Å
128R85.2Confident82Confident121 Ų12169 Ų6946%0.45738%0.381SS..Hα-helixtrans-62.9-42.7175.5-174.3177.9173.7-81.7-4.7112.5A124 E126 V130 T132 V143A124-R128 VanDerWaalsContact O-CB 3.24Å; A124-R128 WeakPolarHBondContact O-CB 3.18Å; A124-R128 PolarHBondContact O-N 2.8Å; A124-R128 VanDerWaalsContact O-N 3.12Å; E126-R128 PolarHBondContact O-N 2.92Å; R128-V130 VanDerWaalsContact C-N 3.3Å; R128-V130 PolarHBondContact O-N 3.46Å; R128-T132 WeakPolarHBondContact O-CB 3.26Å; R128-T132 PolarHBondContact O-N 2.78Å; R128-T132 PolarHBondContact O-OG1 2.77Å; R128-V143 HydrophobicContact CB-CG1 4.16Å; R128-V143 HydrophobicContact CB-CG2 3.91Å; R128-V143 HydrophobicContact CG-CG2 4.11Å
129Q85.8Confident82.2Confident94 Ų9466.7 Ų66.744%0.43937%0.372SS..Hα-helixtrans-63.1-41.2-178.8-163.4-176.5112.400110.9S125 E126 T132 R133S125-Q129 WeakPolarHBondContact O-CB 3.46Å; S125-Q129 PolarHBondContact O-N 2.82Å; E126-Q129 WeakPolarHBondContact O-CA 3.48Å; E126-Q129 WeakPolarHBondContact O-CB 3.34Å; E126-Q129 PolarHBondContact O-N 3.44Å; Q129-T132 PolarHBondContact O-N 3.03Å; Q129-R133 PolarHBondContact O-N 3.1Å
130V83.4Confident82.1Confident5 Ų570.4 Ų70.43%0.0339%0.387CS..Hα-helixtrans-73.4-45.1-178.2177.70000110.4V113 F114 E126 L127 R128 T132 R133 V134V113-V130 HydrophobicContact CG1-CG1 4.09Å; V113-V130 VanDerWaalsContact O-CG2 3.28Å; V113-V130 WeakPolarHBondContact O-CG2 3.48Å; F114-V130 HydrophobicContact CD1-CB 3.69Å; F114-V130 HydrophobicContact CD1-CG1 3.48Å; F114-V130 VanDerWaalsContact CD1-CG1 3.48Å; F114-V130 HydrophobicContact CD1-CG2 4.17Å; F114-V130 HydrophobicContact CE1-CB 3.98Å; F114-V130 HydrophobicContact CE1-CG1 3.51Å; F114-V130 HydrophobicContact CG-CG1 4.21Å; F114-V130 HydrophobicContact CZ-CG1 4.24Å; E126-V130 WeakPolarHBondContact O-CG2 3.47Å; E126-V130 PolarHBondContact O-N 3.38Å; L127-V130 PolarHBondContact O-N 3.29Å; R128-V130 VanDerWaalsContact C-N 3.3Å; R128-V130 PolarHBondContact O-N 3.46Å; V130-T132 VanDerWaalsContact C-N 3.26Å; V130-T132 PolarHBondContact O-N 3.39Å; V130-R133 WeakPolarHBondContact O-CA 3.29Å; V130-R133 WeakPolarHBondContact O-CB 3.43Å; V130-R133 PolarHBondContact O-N 3.36Å; V130-V134 WeakPolarHBondContact O-CG2 3.49Å; V130-V134 PolarHBondContact O-N 2.84Å
131M82Confident82.3Confident35 Ų3573.5 Ų73.517%0.17240%0.4CS..Hα-helixtrans-52.4-46.7170.4-80.4-78.7170.700111.5L127 R133 V134 G135 H136 M146L127-M131 WeakPolarHBondContact O-CB 3.32Å; L127-M131 VanDerWaalsContact O-CG 3.31Å; L127-M131 WeakPolarHBondContact O-CG 3.47Å; L127-M131 PolarHBondContact O-N 2.95Å; M131-R133 VanDerWaalsContact C-N 3.32Å; M131-R133 PolarHBondContact O-N 3.46Å; M131-V134 PolarHBondContact O-N 3.39Å; M131-V134 VanDerWaalsContact O-N 3.17Å; M131-G135 PolarHBondContact O-N 3Å; M131-H136 CarbonylContact C-O 3.01Å; M131-H136 CarbonylContact O-C 3.58Å; M131-H136 PolarHBondContact O-N 3.21Å; M131-H136 HydrophobicContact SD-CB 4.13Å; M131-M146 HydrophobicContact CE-CE 3.52Å; M131-M146 HydrophobicContact CE-SD 3.86Å
132T83.7Confident82.2Confident73 Ų7373.3 Ų73.345%0.44840%0.402SS..Hα-helixtrans-62.3-39.1178.1-55.40000111.5R128 Q129 V130 G135 H136R128-T132 WeakPolarHBondContact O-CB 3.26Å; R128-T132 PolarHBondContact O-N 2.78Å; R128-T132 PolarHBondContact O-OG1 2.77Å; Q129-T132 PolarHBondContact O-N 3.03Å; V130-T132 VanDerWaalsContact C-N 3.26Å; V130-T132 PolarHBondContact O-N 3.39Å; T132-G135 PolarHBondContact O-N 3.41Å; T132-H136 WeakPolarHBondContact CA-O 3.34Å; T132-H136 PolarHBondContact N-O 3.04Å
133R79.7Confident82.1Confident199 Ų19973.3 Ų73.375%0.75140%0.403SS*.Hα-helixtrans-65.1-38.4174.8-90-175.9172.1-168.92112.9Q129 V130 M131 G135Q129-R133 PolarHBondContact O-N 3.1Å; V130-R133 WeakPolarHBondContact O-CA 3.29Å; V130-R133 WeakPolarHBondContact O-CB 3.43Å; V130-R133 PolarHBondContact O-N 3.36Å; M131-R133 VanDerWaalsContact C-N 3.32Å; M131-R133 PolarHBondContact O-N 3.46Å; R133-G135 PolarHBondContact O-N 3.04Å
134V75.5Confident81.9Confident112 Ų11276.5 Ų76.568%0.67942%0.415SS*.Hα-helixtrans-71-11.6177.5178.60000111.5V130 M131V130-V134 WeakPolarHBondContact O-CG2 3.49Å; V130-V134 PolarHBondContact O-N 2.84Å; M131-V134 PolarHBondContact O-N 3.39Å; M131-V134 VanDerWaalsContact O-N 3.17Å
135G75.7Confident81.9Confident59 Ų5981.3 Ų81.361%0.60843%0.433SS*.THydrogen-bonded Turntrans97.22.6177.600000113.6M131 T132 R133M131-G135 PolarHBondContact O-N 3Å; T132-G135 PolarHBondContact O-N 3.41Å; R133-G135 PolarHBondContact O-N 3.04Å
136H73.3Confident81.6Confident126 Ų12680.2 Ų80.258%0.58342%0.419SS*.  trans-91.5115.7171.6-96.7-120.4000109.8M131 T132 C138M131-H136 CarbonylContact C-O 3.01Å; M131-H136 CarbonylContact O-C 3.58Å; M131-H136 PolarHBondContact O-N 3.21Å; M131-H136 HydrophobicContact SD-CB 4.13Å; T132-H136 WeakPolarHBondContact CA-O 3.34Å; T132-H136 PolarHBondContact N-O 3.04Å; H136-C138 PolarHBondContact O-N 3.14Å
137S73.1Confident81.4Confident114 Ų11479.9 Ų79.980%0.79742%0.417SS*.  trans-91.586.1174.817.10000108.9
138C73Confident81.3Confident16 Ų1683.3 Ų83.311%0.10844%0.442CS..  trans-78139.3174.1-58.10000110.3H136 E142 V143H136-C138 PolarHBondContact O-N 3.14Å; C138-E142 HydrophobicContact CB-CB 4.18Å; C138-V143 HydrophobicContact CB-CG2 3.77Å
139S82.1Confident81.2Confident54 Ų5484.5 Ų84.538%0.37845%0.453SS..  trans-68.9157.4170.962.60000111T141 E142 V143S139-T141 PolarHBondContact O-N 3.02Å; S139-T141 VanDerWaalsContact O-N 3.17Å; S139-E142 WeakPolarHBondContact CB-OE2 3.49Å; S139-E142 PolarHBondContact N-OE2 2.91Å; S139-E142 PolarHBondContact O-N 3.14Å; S139-E142 VanDerWaalsContact O-N 3.1Å; S139-E142 WeakPolarHBondContact OG-CG 3.44Å; S139-E142 PolarHBondContact OG-N 2.93Å; S139-E142 PolarHBondContact OG-OE2 3.34Å; S139-V143 WeakPolarHBondContact O-CG2 3.49Å; S139-V143 PolarHBondContact O-N 3.02Å
140E82Confident81Confident153 Ų15380.4 Ų80.472%0.71544%0.435SS*.Hα-helixtrans-57.2-31.7177.9-164.9168.592.300111.8Q144E140-Q144 WeakPolarHBondContact O-CB 3.3Å; E140-Q144 WeakPolarHBondContact O-CG 3.44Å; E140-Q144 PolarHBondContact O-N 3.19Å
141T85.1Confident81.2Confident98 Ų9881 Ų8160%0.60144%0.438SS*.Hα-helixtrans-67.6-46.8174.6-45.30000112.3S139 V143 Q144 E145S139-T141 PolarHBondContact O-N 3.02Å; S139-T141 VanDerWaalsContact O-N 3.17Å; T141-V143 VanDerWaalsContact C-N 3.35Å; T141-V143 PolarHBondContact O-N 3.35Å; T141-Q144 PolarHBondContact O-N 2.9Å; T141-E145 PolarHBondContact O-N 3.44Å
142E85.2Confident81.1Confident95 Ų9585.9 Ų85.944%0.44446%0.46SS..Hα-helixtrans-63.4-40.7176.4-79.8164.7105.500112C138 S139 Q144 E145 M146C138-E142 HydrophobicContact CB-CB 4.18Å; S139-E142 WeakPolarHBondContact CB-OE2 3.49Å; S139-E142 PolarHBondContact N-OE2 2.91Å; S139-E142 PolarHBondContact O-N 3.14Å; S139-E142 VanDerWaalsContact O-N 3.1Å; S139-E142 WeakPolarHBondContact OG-CG 3.44Å; S139-E142 PolarHBondContact OG-N 2.93Å; S139-E142 PolarHBondContact OG-OE2 3.34Å; E142-Q144 VanDerWaalsContact C-N 3.29Å; E142-Q144 PolarHBondContact O-N 3.46Å; E142-E145 PolarHBondContact O-N 2.93Å; E142-M146 WeakPolarHBondContact O-CG 3.48Å; E142-M146 PolarHBondContact O-N 2.86Å
143V85.1Confident81.2Confident4 Ų487.4 Ų87.42%0.02447%0.466CS..Hα-helixtrans-62.2-41.7176.7174.20000110.5A124 L127 R128 C138 S139 T141 M146 L147A124-V143 HydrophobicContact CB-CG1 4.23Å; A124-V143 WeakPolarHBondContact O-CG1 3.45Å; L127-V143 HydrophobicContact CB-CG1 4.32Å; L127-V143 HydrophobicContact CD2-CG1 4.12Å; L127-V143 HydrophobicContact CG-CG1 4.45Å; R128-V143 HydrophobicContact CB-CG1 4.16Å; R128-V143 HydrophobicContact CB-CG2 3.91Å; R128-V143 HydrophobicContact CG-CG2 4.11Å; C138-V143 HydrophobicContact CB-CG2 3.77Å; S139-V143 WeakPolarHBondContact O-CG2 3.49Å; S139-V143 PolarHBondContact O-N 3.02Å; T141-V143 VanDerWaalsContact C-N 3.35Å; T141-V143 PolarHBondContact O-N 3.35Å; V143-M146 PolarHBondContact O-N 3.15Å; V143-L147 HydrophobicContact CG1-CD1 4.37Å; V143-L147 WeakPolarHBondContact O-CB 3.48Å; V143-L147 PolarHBondContact O-N 3.26Å
144Q83.3Confident81.3Confident105 Ų10580.8 Ų80.849%0.49146%0.46SS..Hα-helixtrans-65.6-38.7175.6-83.5-74.9-65.400112.8E140 T141 E142 L147 S148E140-Q144 WeakPolarHBondContact O-CB 3.3Å; E140-Q144 WeakPolarHBondContact O-CG 3.44Å; E140-Q144 PolarHBondContact O-N 3.19Å; T141-Q144 PolarHBondContact O-N 2.9Å; E142-Q144 VanDerWaalsContact C-N 3.29Å; E142-Q144 PolarHBondContact O-N 3.46Å; Q144-L147 PolarHBondContact O-N 2.85Å; Q144-S148 VanDerWaalsContact O-CB 3.28Å; Q144-S148 WeakPolarHBondContact O-CB 3.48Å; Q144-S148 PolarHBondContact O-N 3.03Å
145E85.4Confident81.8Confident128 Ų12878.6 Ų78.660%0.59844%0.444SS*.Hα-helixtrans-64-47.9174.2-75.3-170.5107.300111.1T141 E142 L147 S148 E149T141-E145 PolarHBondContact O-N 3.44Å; E142-E145 PolarHBondContact O-N 2.93Å; E145-L147 VanDerWaalsContact C-N 3.28Å; E145-L147 PolarHBondContact O-N 3.09Å; E145-S148 PolarHBondContact O-N 3.06Å; E145-S148 VanDerWaalsContact O-N 3.15Å; E145-E149 PolarHBondContact O-N 2.75Å
146M80.4Confident82.2Confident68 Ų6877.4 Ų77.434%0.33543%0.432SS..Hα-helixtrans-60.1-39.6177-69.2-174.675.900112.4L127 M131 E142 V143 E149 A150L127-M146 HydrophobicContact CD2-CB 4.1Å; M131-M146 HydrophobicContact CE-CE 3.52Å; M131-M146 HydrophobicContact CE-SD 3.86Å; E142-M146 WeakPolarHBondContact O-CG 3.48Å; E142-M146 PolarHBondContact O-N 2.86Å; V143-M146 PolarHBondContact O-N 3.15Å; M146-E149 PolarHBondContact O-N 2.91Å; M146-A150 PolarHBondContact O-N 3.03Å
147L84.8Confident82.8Confident2 Ų275.1 Ų75.11%0.0142%0.421CS..Hα-helixtrans-66.8-45.7175.3-119.8133.5000111.2A124 L127 V143 Q144 E145 E149 A150 D151 V158A124-L147 HydrophobicContact CB-CD1 3.55Å; L127-L147 HydrophobicContact CB-CD1 4.37Å; L127-L147 HydrophobicContact CD2-CD1 3.92Å; L127-L147 HydrophobicContact CD2-CG 4.33Å; V143-L147 HydrophobicContact CG1-CD1 4.37Å; V143-L147 WeakPolarHBondContact O-CB 3.48Å; V143-L147 PolarHBondContact O-N 3.26Å; Q144-L147 PolarHBondContact O-N 2.85Å; E145-L147 VanDerWaalsContact C-N 3.28Å; E145-L147 PolarHBondContact O-N 3.09Å; L147-E149 PolarHBondContact O-N 2.89Å; L147-A150 CarbonylContact O-C 3.56Å; L147-A150 PolarHBondContact O-N 2.92Å; L147-D151 HydrophobicContact CD2-CB 4.38Å; L147-D151 WeakPolarHBondContact O-CB 3.36Å; L147-D151 PolarHBondContact O-N 2.81Å; L147-V158 HydrophobicContact CD2-CG2 3.64Å; L147-V158 HydrophobicContact CG-CG2 3.94Å
148S84Confident83.5Confident89 Ų8970 Ų7062%0.62238%0.384SS*.Hα-helixtrans-65.5-19.7-179.7-167.60000113.3Q144 E145Q144-S148 VanDerWaalsContact O-CB 3.28Å; Q144-S148 WeakPolarHBondContact O-CB 3.48Å; Q144-S148 PolarHBondContact O-N 3.03Å; E145-S148 PolarHBondContact O-N 3.06Å; E145-S148 VanDerWaalsContact O-N 3.15Å
149E82.3Confident84.1Confident146 Ų14670.7 Ų70.768%0.68239%0.388SS*.Hα-helixtrans-79.8-32.5170.1-72.6-168.5101.200112.8E145 M146 L147E145-E149 PolarHBondContact O-N 2.75Å; M146-E149 PolarHBondContact O-N 2.91Å; L147-E149 PolarHBondContact O-N 2.89Å
150A82.4Confident84.2Confident7 Ų771.5 Ų71.56%0.05838%0.383CS..Hα-helixtrans-87.5-38.2-179.800000113.2M146 L147 Q152 V158 E162 M166M146-A150 PolarHBondContact O-N 3.03Å; L147-A150 CarbonylContact O-C 3.56Å; L147-A150 PolarHBondContact O-N 2.92Å; A150-Q152 PolarHBondContact O-N 3.21Å; A150-V158 HydrophobicContact CB-CG1 4Å; A150-V158 HydrophobicContact CB-CG2 3.74Å; A150-E162 WeakPolarHBondContact O-CB 3.27Å; A150-M166 HydrophobicContact CB-CG 4.27Å; A150-M166 HydrophobicContact CB-SD 3.83Å
151D86.8Confident84.2Confident18 Ų1871.9 Ų71.910%0.09639%0.385CS..  trans-76.898.5179.5177.16.9000109.7L147 D153 G154 D155 G156 V158L147-D151 HydrophobicContact CD2-CB 4.38Å; L147-D151 WeakPolarHBondContact O-CB 3.36Å; L147-D151 PolarHBondContact O-N 2.81Å; D151-D153 PolarHBondContact OD1-N 2.9Å; D151-G154 VanDerWaalsContact OD1-CA 3.3Å; D151-G154 WeakPolarHBondContact OD1-CA 3.48Å; D151-G154 PolarHBondContact OD1-N 2.82Å; D151-G154 WeakPolarHBondContact OD2-CA 3.44Å; D151-D155 PolarHBondContact OD1-N 2.78Å; D151-D155 PolarHBondContact OD2-N 2.91Å; D151-G156 VanDerWaalsContact OD2-CA 3.24Å; D151-G156 WeakPolarHBondContact OD2-CA 3.48Å; D151-G156 PolarHBondContact OD2-N 3.14Å; D151-V158 HydrophobicContact CB-CG2 4.45Å
152Q80.5Confident84.2Confident137 Ų13768 Ų6864%0.6436%0.36SS*.SBendtrans-83.2-26.4-179-71.7-159.7-20.500112.3A150 E162A150-Q152 PolarHBondContact O-N 3.21Å; Q152-E162 PolarHBondContact N-OE1 3.38Å
153D84.8Confident84Confident105 Ų10564.5 Ų64.556%0.56134%0.344SS*.SBendtrans-88.7-15.2-17984.6-5.7000113.3D151 D155 E162D151-D153 PolarHBondContact OD1-N 2.9Å; D153-D155 WeakPolarHBondContact OD1-CB 3.23Å; D153-D155 PolarHBondContact OD1-N 2.89Å; D153-E162 PolarHBondContact N-OE1 3Å
154G82.9Confident83.7Confident60 Ų6065.8 Ų65.862%0.61935%0.351SS*.  trans73.923.5176.500000113.2D151 G156D151-G154 VanDerWaalsContact OD1-CA 3.3Å; D151-G154 WeakPolarHBondContact OD1-CA 3.48Å; D151-G154 PolarHBondContact OD1-N 2.82Å; D151-G154 WeakPolarHBondContact OD2-CA 3.44Å; G154-G156 VanDerWaalsContact C-N 3.26Å
155D86.1Confident83.5Confident66 Ų6662.4 Ų62.435%0.35334%0.341SS..SBendtrans-81.1-6.4-179.394-18.6000113.7D151 D153 K157D151-D155 PolarHBondContact OD1-N 2.78Å; D151-D155 PolarHBondContact OD2-N 2.91Å; D153-D155 WeakPolarHBondContact OD1-CB 3.23Å; D153-D155 PolarHBondContact OD1-N 2.89Å; D155-K157 WeakPolarHBondContact OD1-CA 3.27Å; D155-K157 VanDerWaalsContact OD1-CB 3.31Å; D155-K157 WeakPolarHBondContact OD1-CB 3.22Å; D155-K157 WeakPolarHBondContact OD1-CG 3.38Å; D155-K157 PolarHBondContact OD1-N 2.84Å; D155-K157 IonicContact OD2-NZ 3.69Å; D155-K157 PolarHBondContact OD2-NZ 2.89Å
156G83.2Confident83.1Confident35 Ų3558.7 Ų58.736%0.36133%0.325SS..SBendtrans85.910.8-179.800000114.3D151 G154D151-G156 VanDerWaalsContact OD2-CA 3.24Å; D151-G156 WeakPolarHBondContact OD2-CA 3.48Å; D151-G156 PolarHBondContact OD2-N 3.14Å; G154-G156 VanDerWaalsContact C-N 3.26Å
157K86.7Confident82.7Confident78 Ų7858.4 Ų58.434%0.33932%0.324SS..EExtended strand (participates in β ladder)trans-135.4145.5-179.9-33.7-173.6-152.190.40108.8Y121 D155Y121-K157 HydrophobicContact CG-CD 4.5Å; D155-K157 WeakPolarHBondContact OD1-CA 3.27Å; D155-K157 VanDerWaalsContact OD1-CB 3.31Å; D155-K157 WeakPolarHBondContact OD1-CB 3.22Å; D155-K157 WeakPolarHBondContact OD1-CG 3.38Å; D155-K157 PolarHBondContact OD1-N 2.84Å; D155-K157 IonicContact OD2-NZ 3.69Å; D155-K157 PolarHBondContact OD2-NZ 2.89Å
158V86.9Confident82Confident6 Ų664.1 Ų64.14%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-100.4114.3176-173.10000109Y121 I122 L147 A150 D151 E162 F163Y121-V158 CarbonylContact C-O 3.59Å; Y121-V158 WeakPolarHBondContact CA-O 3.31Å; I122-V158 HydrophobicContact CB-CB 4.24Å; I122-V158 PolarHBondContact N-O 2.91Å; I122-V158 PolarHBondContact O-N 2.87Å; L147-V158 HydrophobicContact CD2-CG2 3.64Å; L147-V158 HydrophobicContact CG-CG2 3.94Å; A150-V158 HydrophobicContact CB-CG1 4Å; A150-V158 HydrophobicContact CB-CG2 3.74Å; D151-V158 HydrophobicContact CB-CG2 4.45Å; V158-E162 HydrophobicContact CG1-CB 3.83Å; V158-F163 HydrophobicContact CG1-CB 3.93Å; V158-F163 HydrophobicContact CG1-CD2 4.45Å
159T87.1Confident81Confident30 Ų3066.5 Ų66.518%0.18435%0.35CS..EExtended strand (participates in β ladder)trans-72.2159.9171.9610000111.3Y121 E161 E162 F163Y121-T159 HydrophobicContact CD1-CG2 3.73Å; Y121-T159 HydrophobicContact CE1-CG2 3.87Å; T159-E161 PolarHBondContact O-N 3Å; T159-E162 WeakPolarHBondContact CB-OE2 3.18Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.13Å; T159-E162 PolarHBondContact N-OE2 2.66Å; T159-E162 PolarHBondContact O-N 3.05Å; T159-E162 VanDerWaalsContact O-N 3.15Å; T159-E162 VanDerWaalsContact OG1-CG 3.29Å; T159-E162 WeakPolarHBondContact OG1-CG 3.21Å; T159-E162 PolarHBondContact OG1-N 2.9Å; T159-E162 PolarHBondContact OG1-OE2 3.42Å; T159-F163 PolarHBondContact O-N 3.01Å
160Y82.4Confident79.8Confident72 Ų7264.4 Ų64.428%0.28234%0.343SS..Hα-helixtrans-54.1-38.4173.5178.7-100.1000112.6V104 R108 F111 F163 V164V104-Y160 VanDerWaalsContact CG1-OH 3.31Å; V104-Y160 WeakPolarHBondContact CG1-OH 3.38Å; R108-Y160 HydrophobicContact CB-CE2 3.99Å; R108-Y160 HydrophobicContact CG-CE2 4.32Å; F111-Y160 HydrophobicContact CB-CD2 4.11Å; F111-Y160 HydrophobicContact CB-CE2 4.45Å; F111-Y160 HydrophobicContact CD1-CD2 4.26Å; F111-Y160 HydrophobicContact CD2-CD2 4.03Å; F111-Y160 VanDerWaalsContact CE2-CA 3.46Å; F111-Y160 AromaticContact CG-CD2 3.86Å; F111-Y160 HydrophobicContact CG-CD2 3.86Å; Y160-F163 PolarHBondContact O-N 3.03Å; Y160-V164 HydrophobicContact CD1-CG2 4.16Å; Y160-V164 HydrophobicContact CD2-CG2 4.39Å; Y160-V164 HydrophobicContact CE1-CG2 3.67Å; Y160-V164 HydrophobicContact CE2-CG2 3.92Å; Y160-V164 HydrophobicContact CG-CG2 4.49Å; Y160-V164 WeakPolarHBondContact O-CG2 3.36Å; Y160-V164 PolarHBondContact O-N 3.23Å
161E82.7Confident78.4Confident161 Ų16168.9 Ų68.975%0.75238%0.375SS*.Hα-helixtrans-65.1-42.5178.8-62.8-171.489.200112T159 V164 A165T159-E161 PolarHBondContact O-N 3Å; E161-V164 PolarHBondContact O-N 2.78Å; E161-A165 WeakPolarHBondContact O-CB 3.2Å; E161-A165 PolarHBondContact O-N 3.12Å
162E85.7Confident76.6Confident15 Ų1572.9 Ų72.97%0.0740%0.404CS..Hα-helixtrans-66.6-42.5176.1-74.6169.7125.500112.3A150 Q152 D153 V158 T159 V164 A165 M166A150-E162 WeakPolarHBondContact O-CB 3.27Å; Q152-E162 PolarHBondContact N-OE1 3.38Å; D153-E162 PolarHBondContact N-OE1 3Å; V158-E162 HydrophobicContact CG1-CB 3.83Å; T159-E162 WeakPolarHBondContact CB-OE2 3.18Å; T159-E162 WeakPolarHBondContact CG2-OE2 3.13Å; T159-E162 PolarHBondContact N-OE2 2.66Å; T159-E162 PolarHBondContact O-N 3.05Å; T159-E162 VanDerWaalsContact O-N 3.15Å; T159-E162 VanDerWaalsContact OG1-CG 3.29Å; T159-E162 WeakPolarHBondContact OG1-CG 3.21Å; T159-E162 PolarHBondContact OG1-N 2.9Å; T159-E162 PolarHBondContact OG1-OE2 3.42Å; E162-V164 VanDerWaalsContact C-N 3.33Å; E162-V164 PolarHBondContact O-N 3.44Å; E162-A165 WeakPolarHBondContact O-CB 3.01Å; E162-A165 PolarHBondContact O-N 2.84Å; E162-A165 VanDerWaalsContact O-N 3.17Å; E162-M166 WeakPolarHBondContact O-CB 3.34Å; E162-M166 PolarHBondContact O-N 2.89Å
163F80.3Confident74.4Confident23 Ų2377.7 Ų77.710%0.10143%0.426CS..Hα-helixtrans-61.5-43177-170-102.4000111.7T107 A110 F111 F114 I122 V158 T159 Y160 M166 L167T107-F163 HydrophobicContact CG2-CD1 3.78Å; T107-F163 HydrophobicContact CG2-CE1 4.04Å; A110-F163 HydrophobicContact CB-CE1 3.96Å; A110-F163 HydrophobicContact CB-CZ 4.1Å; F111-F163 HydrophobicContact CB-CD1 4.25Å; F111-F163 HydrophobicContact CB-CE1 4.4Å; F111-F163 HydrophobicContact CD2-CB 3.72Å; F111-F163 AromaticContact CD2-CD1 3.88Å; F111-F163 HydrophobicContact CD2-CD1 3.88Å; F111-F163 HydrophobicContact CD2-CD2 4.46Å; F111-F163 AromaticContact CD2-CG 3.78Å; F111-F163 HydrophobicContact CD2-CG 3.78Å; F111-F163 HydrophobicContact CE2-CB 3.98Å; F111-F163 HydrophobicContact CE2-CG 4.42Å; F114-F163 HydrophobicContact CD2-CE2 4.24Å; F114-F163 HydrophobicContact CD2-CZ 4.02Å; F114-F163 HydrophobicContact CE2-CE2 4.49Å; F114-F163 HydrophobicContact CE2-CZ 4.19Å; I122-F163 HydrophobicContact CD1-CD2 3.86Å; I122-F163 HydrophobicContact CD1-CE2 4.13Å; I122-F163 HydrophobicContact CD1-CG 4.33Å; V158-F163 HydrophobicContact CG1-CB 3.93Å; V158-F163 HydrophobicContact CG1-CD2 4.45Å; T159-F163 PolarHBondContact O-N 3.01Å; Y160-F163 PolarHBondContact O-N 3.03Å; F163-M166 PolarHBondContact O-N 3.18Å; F163-L167 HydrophobicContact CD1-CD1 3.69Å; F163-L167 HydrophobicContact CE1-CD1 3.34Å; F163-L167 HydrophobicContact CE1-CG 4.42Å; F163-L167 HydrophobicContact CZ-CD1 3.96Å; F163-L167 PolarHBondContact O-N 2.85Å
164V78.8Confident73.9Confident31 Ų3176.3 Ų76.319%0.18842%0.419CS..Hα-helixtrans-64.5-41.8174.4174.10000111.1T107 Y160 E161 E162 L167 K168T107-V164 HydrophobicContact CG2-CB 4.33Å; T107-V164 HydrophobicContact CG2-CG2 3.5Å; Y160-V164 HydrophobicContact CD1-CG2 4.16Å; Y160-V164 HydrophobicContact CD2-CG2 4.39Å; Y160-V164 HydrophobicContact CE1-CG2 3.67Å; Y160-V164 HydrophobicContact CE2-CG2 3.92Å; Y160-V164 HydrophobicContact CG-CG2 4.49Å; Y160-V164 WeakPolarHBondContact O-CG2 3.36Å; Y160-V164 PolarHBondContact O-N 3.23Å; E161-V164 PolarHBondContact O-N 2.78Å; E162-V164 VanDerWaalsContact C-N 3.33Å; E162-V164 PolarHBondContact O-N 3.44Å; V164-L167 PolarHBondContact O-N 3.16Å; V164-K168 HydrophobicContact CG1-CD 4.49Å; V164-K168 PolarHBondContact O-N 3.4Å
165A78.6Confident73.4Confident33 Ų3377.2 Ų77.227%0.27341%0.409SS..Hα-helixtrans-61.5-44.9177.400000111.4E161 E162 L167 K168 E169E161-A165 WeakPolarHBondContact O-CB 3.2Å; E161-A165 PolarHBondContact O-N 3.12Å; E162-A165 WeakPolarHBondContact O-CB 3.01Å; E162-A165 PolarHBondContact O-N 2.84Å; E162-A165 VanDerWaalsContact O-N 3.17Å; A165-L167 PolarHBondContact O-N 2.84Å; A165-K168 PolarHBondContact O-N 2.79Å; A165-E169 PolarHBondContact O-N 2.91Å
166M78.2Confident72.7Confident51 Ų5177.8 Ų77.825%0.25141%0.412SS..Hα-helixtrans-61.1-43.6177.2-166.1-143.5178.600111.8A150 E162 F163 K168 E169 N170A150-M166 HydrophobicContact CB-CG 4.27Å; A150-M166 HydrophobicContact CB-SD 3.83Å; E162-M166 WeakPolarHBondContact O-CB 3.34Å; E162-M166 PolarHBondContact O-N 2.89Å; F163-M166 PolarHBondContact O-N 3.18Å; M166-K168 VanDerWaalsContact C-N 3.34Å; M166-K168 PolarHBondContact O-N 2.74Å; M166-E169 PolarHBondContact O-N 2.77Å; M166-N170 PolarHBondContact O-N 3.47Å
167L72.6Confident72.1Confident62 Ų6280.3 Ų80.333%0.32542%0.415SS..Hα-helixtrans-66.6-33.4176.4-82.6164.2000113.1T107 F163 V164 A165 S171T107-L167 HydrophobicContact CG2-CD1 3.39Å; F163-L167 HydrophobicContact CD1-CD1 3.69Å; F163-L167 HydrophobicContact CE1-CD1 3.34Å; F163-L167 HydrophobicContact CE1-CG 4.42Å; F163-L167 HydrophobicContact CZ-CD1 3.96Å; F163-L167 PolarHBondContact O-N 2.85Å; V164-L167 PolarHBondContact O-N 3.16Å; A165-L167 PolarHBondContact O-N 2.84Å; L167-S171 WeakPolarHBondContact O-CB 3.33Å; L167-S171 PolarHBondContact O-N 3.16Å; L167-S171 VanDerWaalsContact O-N 3.09Å; L167-S171 PolarHBondContact O-OG 2.86Å
168K68.1Low71.2Confident122 Ų12280.4 Ų80.453%0.5342%0.42SS..Hα-helixtrans-68.6-38.8174.6-84-172.8173.7-176.60112.8V164 A165 M166 S172V164-K168 HydrophobicContact CG1-CD 4.49Å; V164-K168 PolarHBondContact O-N 3.4Å; A165-K168 PolarHBondContact O-N 2.79Å; M166-K168 VanDerWaalsContact C-N 3.34Å; M166-K168 PolarHBondContact O-N 2.74Å; K168-S172 PolarHBondContact O-OG 3.45Å
169E64.9Low70.2Confident138 Ų13885.4 Ų85.465%0.64545%0.445SS*.Hα-helixtrans-67.5-42.7173.8-74.8-149.787.900111.6A165 M166 S171 S172A165-E169 PolarHBondContact O-N 2.91Å; M166-E169 PolarHBondContact O-N 2.77Å; E169-S171 VanDerWaalsContact C-N 3.3Å; E169-S171 PolarHBondContact O-N 2.71Å; E169-S172 PolarHBondContact O-N 3.37Å
170N56.7Low68.9Low102 Ų10289.4 Ų89.455%0.54546%0.464SS..Hα-helixtrans-70.2-20.9179.7-111.2-41.3000114.7M166 S172M166-N170 PolarHBondContact O-N 3.47Å; N170-S172 VanDerWaalsContact C-N 3.28Å
171S52.1Low67.9Low102 Ų10290.7 Ų90.771%0.71348%0.478SS*.THydrogen-bonded Turntrans-84.3-3.5176.4-58.40000113.4L167 E169L167-S171 WeakPolarHBondContact O-CB 3.33Å; L167-S171 PolarHBondContact O-N 3.16Å; L167-S171 VanDerWaalsContact O-N 3.09Å; L167-S171 PolarHBondContact O-OG 2.86Å; E169-S171 VanDerWaalsContact C-N 3.3Å; E169-S171 PolarHBondContact O-N 2.71Å
172S48.7Very low66.7Low102 Ų10284.8 Ų84.871%0.71346%0.455SS*.THydrogen-bonded Turntrans-101.46.4-176-55.90000114.3K168 E169 N170K168-S172 PolarHBondContact O-OG 3.45Å; E169-S172 PolarHBondContact O-N 3.37Å; N170-S172 VanDerWaalsContact C-N 3.28Å
173E35.4Very low65Low237 Ų23791.2 Ų91.2100%1.10749%0.49SS*.  trans-104.40178.6-79.1-17380.400115.1

Retrieved 173 of 173 residues in 56.5 ms (Link to these results)

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