X6RC15_HUMAN Loading...

Erythrocyte membrane protein band 4.1 like 1

AlphaFold DB , UniProt , Accession X6RC15, Species HUMAN (Homo sapiens, Human), Gene EPB41L1, Length 197 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
1V65.6Low79.9Confident148 Ų148113.1 Ų113.190%0.89760%0.598SS**  0-46.60-178.20000112.7L3 K4 H5V1-L3 PolarHBondContact O-N 2.9Å; V1-K4 PolarHBondContact O-N 3.37Å; V1-H5 VanDerWaalsContact CG1-CE1 3.48Å; V1-H5 WeakPolarHBondContact CG1-CE1 3.28Å; V1-H5 PolarHBondContact O-N 3.39Å; V1-H5 PolarHBondContact O-ND1 3.33Å
2L74.3Confident80.7Confident154 Ų154112.6 Ų112.681%0.80659%0.594SS**Hα-helixtrans-57.8-43.2179.4-72.7162.6000114.6K4 H5 Q6L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.44Å; L2-H5 WeakPolarHBondContact O-CB 3.35Å; L2-H5 PolarHBondContact O-N 2.94Å; L2-Q6 PolarHBondContact O-N 2.82Å
3L72.4Confident81.5Confident153 Ų153114.1 Ų114.180%0.80159%0.593SS**Hα-helixtrans-64.2-35.2178.9-71.6168.7000113.2V1 Q6 A7V1-L3 PolarHBondContact O-N 2.9Å; L3-Q6 PolarHBondContact O-N 3.19Å; L3-A7 PolarHBondContact O-N 3.07Å
4K71.7Confident81.9Confident174 Ų174118.5 Ų118.576%0.75760%0.598SS**Hα-helixtrans-68.6-37.8175.7-171.2176.5173.6-175.90111.3V1 L2 A7 S8V1-K4 PolarHBondContact O-N 3.37Å; L2-K4 VanDerWaalsContact C-N 3.32Å; L2-K4 PolarHBondContact O-N 3.44Å; K4-A7 PolarHBondContact O-N 3.21Å; K4-S8 PolarHBondContact O-N 2.88Å
5H80.8Confident81.9Confident114 Ų114116 Ų11653%0.52859%0.591SS.*Hα-helixtrans-65.1-41.8172.8-76.173000111.2V1 L2 A7 S8 I9V1-H5 VanDerWaalsContact CG1-CE1 3.48Å; V1-H5 WeakPolarHBondContact CG1-CE1 3.28Å; V1-H5 PolarHBondContact O-N 3.39Å; V1-H5 PolarHBondContact O-ND1 3.33Å; L2-H5 WeakPolarHBondContact O-CB 3.35Å; L2-H5 PolarHBondContact O-N 2.94Å; H5-A7 PolarHBondContact O-N 2.94Å; H5-S8 PolarHBondContact O-N 3.22Å; H5-I9 WeakPolarHBondContact O-CD1 3.3Å; H5-I9 VanDerWaalsContact O-CG1 3.26Å; H5-I9 WeakPolarHBondContact O-CG1 3.45Å; H5-I9 PolarHBondContact O-N 2.83Å
6Q82.3Confident81.9Confident93 Ų93118.5 Ų118.544%0.43561%0.605SS.*Hα-helixtrans-64.6-40178-168.158.764.600112.5L2 L3 I9 N10L2-Q6 PolarHBondContact O-N 2.82Å; L3-Q6 PolarHBondContact O-N 3.19Å; Q6-I9 PolarHBondContact O-N 2.85Å; Q6-N10 PolarHBondContact NE2-OD1 3.27Å; Q6-N10 VanDerWaalsContact O-CG 3.28Å; Q6-N10 PolarHBondContact O-N 3.45Å; Q6-N10 VanDerWaalsContact O-N 3.08Å
7A75.3Confident82.1Confident60 Ų60122.1 Ų122.150%0.49662%0.616SS.*Hα-helixtrans-61.9-44.4173.700000111.8L3 K4 H5 I9 N10 E11L3-A7 PolarHBondContact O-N 3.07Å; K4-A7 PolarHBondContact O-N 3.21Å; H5-A7 PolarHBondContact O-N 2.94Å; A7-I9 PolarHBondContact O-N 3.45Å; A7-N10 PolarHBondContact O-N 3.21Å; A7-E11 PolarHBondContact O-N 3.31Å
8S89.5Confident82Confident59 Ų59121.2 Ų121.241%0.41361%0.609SS.*Hα-helixtrans-61.3-42.1176.4-179.20000112.2K4 H5 N10 E11 L12K4-S8 PolarHBondContact O-N 2.88Å; H5-S8 PolarHBondContact O-N 3.22Å; S8-N10 VanDerWaalsContact C-N 3.31Å; S8-N10 PolarHBondContact O-N 3.38Å; S8-E11 PolarHBondContact O-N 3.22Å; S8-L12 WeakPolarHBondContact O-CD1 3.37Å; S8-L12 PolarHBondContact O-N 2.86Å
9I87.1Confident81.6Confident71 Ų71119.8 Ų119.836%0.36461%0.609SS.*Hα-helixtrans-62-40.2176.7-69.9163.4000111.3H5 Q6 A7 L12 K13H5-I9 WeakPolarHBondContact O-CD1 3.3Å; H5-I9 VanDerWaalsContact O-CG1 3.26Å; H5-I9 WeakPolarHBondContact O-CG1 3.45Å; H5-I9 PolarHBondContact O-N 2.83Å; Q6-I9 PolarHBondContact O-N 2.85Å; A7-I9 PolarHBondContact O-N 3.45Å; I9-L12 PolarHBondContact O-N 3.47Å; I9-K13 HydrophobicContact CG2-CD 4.25Å; I9-K13 WeakPolarHBondContact O-CG 3.38Å; I9-K13 PolarHBondContact O-N 3.47Å
10N91.8Very high81.2Confident87 Ų87118.6 Ų118.647%0.46560%0.604SS.*Hα-helixtrans-70.2-36.5-179.7-70.1-9.2000112Q6 A7 S8 K13 R14Q6-N10 PolarHBondContact NE2-OD1 3.27Å; Q6-N10 VanDerWaalsContact O-CG 3.28Å; Q6-N10 PolarHBondContact O-N 3.45Å; Q6-N10 VanDerWaalsContact O-N 3.08Å; A7-N10 PolarHBondContact O-N 3.21Å; S8-N10 VanDerWaalsContact C-N 3.31Å; S8-N10 PolarHBondContact O-N 3.38Å; N10-K13 PolarHBondContact O-N 2.96Å; N10-R14 PolarHBondContact O-N 2.86Å; N10-R14 VanDerWaalsContact O-N 3.09Å
11E88.6Confident80.6Confident131 Ų131116.4 Ų116.461%0.61260%0.6SS**Hα-helixtrans-63.7-45.5173.6-171.5175.5-169.600111.6A7 S8 K13 R14 T15A7-E11 PolarHBondContact O-N 3.31Å; S8-E11 PolarHBondContact O-N 3.22Å; E11-K13 VanDerWaalsContact C-N 3.34Å; E11-K13 PolarHBondContact O-N 3.36Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.1Å; E11-R14 VanDerWaalsContact O-N 3.11Å; E11-T15 PolarHBondContact O-N 3.41Å; E11-T15 PolarHBondContact O-OG1 2.91Å
12L89.7Confident80.6Confident107 Ų107117.6 Ų117.656%0.5659%0.593SS**Hα-helixtrans-59.3-41.3174.2-82.4151.7000112.8S8 I9 R14 T15 L16S8-L12 WeakPolarHBondContact O-CD1 3.37Å; S8-L12 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 3.47Å; L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 2.98Å; L12-T15 PolarHBondContact O-OG1 2.83Å; L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 PolarHBondContact O-N 2.82Å; L12-L16 VanDerWaalsContact O-N 3.12Å
13K90.6Very high80.1Confident132 Ų132114.3 Ų114.357%0.57458%0.576SS**Hα-helixtrans-65-34.7175.8-75.8176178.6-178.20112.2I9 N10 E11 K17I9-K13 HydrophobicContact CG2-CD 4.25Å; I9-K13 WeakPolarHBondContact O-CG 3.38Å; I9-K13 PolarHBondContact O-N 3.47Å; N10-K13 PolarHBondContact O-N 2.96Å; E11-K13 VanDerWaalsContact C-N 3.34Å; E11-K13 PolarHBondContact O-N 3.36Å; K13-K17 WeakPolarHBondContact O-CB 3.47Å; K13-K17 PolarHBondContact O-N 3.08Å
14R87.5Confident79.9Confident176 Ų176110.1 Ų110.166%0.66455%0.553SS**Hα-helixtrans-68.2-49.7177.4-166.3-168.1-1691162.5111.1N10 E11 L12 L16 K17 E18N10-R14 PolarHBondContact O-N 2.86Å; N10-R14 VanDerWaalsContact O-N 3.09Å; E11-R14 WeakPolarHBondContact O-CB 3.46Å; E11-R14 PolarHBondContact O-N 3.1Å; E11-R14 VanDerWaalsContact O-N 3.11Å; L12-R14 VanDerWaalsContact C-N 3.29Å; L12-R14 PolarHBondContact O-N 2.98Å; R14-L16 VanDerWaalsContact C-N 3.29Å; R14-L16 PolarHBondContact O-N 3.46Å; R14-K17 PolarHBondContact O-N 3.43Å; R14-E18 WeakPolarHBondContact CG-OE1 3.23Å; R14-E18 IonicContact NE-OE1 2.71Å; R14-E18 PolarHBondContact NE-OE1 2.89Å; R14-E18 WeakPolarHBondContact O-CG 3.28Å; R14-E18 PolarHBondContact O-N 3.34Å
15T81.9Confident79.5Confident81 Ų81107.4 Ų107.450%0.49754%0.543SS..Hα-helixtrans-65-31.3-179.156.10000113E11 L12E11-T15 PolarHBondContact O-N 3.41Å; E11-T15 PolarHBondContact O-OG1 2.91Å; L12-T15 PolarHBondContact O-OG1 2.83Å
16L82.1Confident78.9Confident156 Ų156109.5 Ų109.582%0.81755%0.546SS*.Hα-helixtrans-73.1-29173.3-172.965.1000112.9L12 R14L12-L16 WeakPolarHBondContact O-CB 3.12Å; L12-L16 PolarHBondContact O-N 2.82Å; L12-L16 VanDerWaalsContact O-N 3.12Å; R14-L16 VanDerWaalsContact C-N 3.29Å; R14-L16 PolarHBondContact O-N 3.46Å
17K84.8Confident78.2Confident180 Ų180108.8 Ų108.878%0.78355%0.546SS*.Hα-helixtrans-80.8-27.7176.3-1696362.9-174.20111.8K13 R14K13-K17 WeakPolarHBondContact O-CB 3.47Å; K13-K17 PolarHBondContact O-N 3.08Å; R14-K17 PolarHBondContact O-N 3.43Å
18E80.3Confident78.2Confident105 Ų105112.7 Ų112.749%0.49155%0.547SS..SBendtrans-66.4125176.1-76.8172.9-168.300110R14 N20R14-E18 WeakPolarHBondContact CG-OE1 3.23Å; R14-E18 IonicContact NE-OE1 2.71Å; R14-E18 PolarHBondContact NE-OE1 2.89Å; R14-E18 WeakPolarHBondContact O-CG 3.28Å; R14-E18 PolarHBondContact O-N 3.34Å; E18-N20 PolarHBondContact O-N 3.47Å
19P74.8Confident77.1Confident95 Ų95113.8 Ų113.862%0.61755%0.549SS*.  trans-62.1138.2177.925-31.7000109.3S21 I24P19-S21 PolarHBondContact O-N 2.98Å; P19-I24 HydrophobicContact CB-CD1 3.61Å; P19-I24 HydrophobicContact CB-CG1 4.25Å; P19-I24 HydrophobicContact CG-CD1 3.58Å
20N73.9Confident76.2Confident95 Ų95117.5 Ų117.551%0.50856%0.558SS.*  trans-60103-174.6-170.7-80.7000110E18 K22 L23 I24E18-N20 PolarHBondContact O-N 3.47Å; N20-K22 PolarHBondContact O-N 3.05Å; N20-K22 VanDerWaalsContact O-N 3.08Å; N20-K22 WeakPolarHBondContact OD1-CB 3.38Å; N20-K22 PolarHBondContact OD1-N 3.32Å; N20-L23 HydrophobicContact CB-CB 4.34Å; N20-L23 HydrophobicContact CB-CD1 4.12Å; N20-L23 HydrophobicContact CB-CG 4.42Å; N20-L23 WeakPolarHBondContact O-CA 3.46Å; N20-L23 WeakPolarHBondContact O-CB 3.37Å; N20-L23 PolarHBondContact O-N 3.21Å; N20-L23 PolarHBondContact OD1-N 3.08Å; N20-I24 WeakPolarHBondContact O-CG1 3.44Å; N20-I24 PolarHBondContact O-N 3.41Å; N20-I24 VanDerWaalsContact O-N 3.1Å
21S67.2Low75.3Confident73 Ų73118 Ų11851%0.5156%0.558SS.*Hα-helixtrans-57.9-30-172.4580000112.8P19 L23 I24 H25P19-S21 PolarHBondContact O-N 2.98Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.49Å; S21-I24 PolarHBondContact O-N 3.34Å; S21-H25 PolarHBondContact O-CD2 3.41Å; S21-H25 PolarHBondContact O-N 3.45Å
22K66.4Low74.4Confident174 Ų174119.8 Ų119.876%0.75756%0.559SS**Hα-helixtrans-63-37.5174.7-56.8-177.8177.9-178.70112.2N20 R26N20-K22 PolarHBondContact O-N 3.05Å; N20-K22 VanDerWaalsContact O-N 3.08Å; N20-K22 WeakPolarHBondContact OD1-CB 3.38Å; N20-K22 PolarHBondContact OD1-N 3.32Å; K22-R26 WeakPolarHBondContact O-CB 3.4Å; K22-R26 PolarHBondContact O-N 3.41Å
23L63.5Low73.1Confident85 Ų85122 Ų12245%0.44557%0.567SS.*Hα-helixtrans-73.1-38.8173.1-75.8171.5000111.7N20 S21 H25 R26 D27N20-L23 HydrophobicContact CB-CB 4.34Å; N20-L23 HydrophobicContact CB-CD1 4.12Å; N20-L23 HydrophobicContact CB-CG 4.42Å; N20-L23 WeakPolarHBondContact O-CA 3.46Å; N20-L23 WeakPolarHBondContact O-CB 3.37Å; N20-L23 PolarHBondContact O-N 3.21Å; N20-L23 PolarHBondContact OD1-N 3.08Å; S21-L23 VanDerWaalsContact C-N 3.33Å; S21-L23 PolarHBondContact O-N 3.49Å; L23-H25 PolarHBondContact O-N 3.4Å; L23-R26 PolarHBondContact O-N 3.01Å; L23-D27 VanDerWaalsContact O-CB 3.28Å; L23-D27 WeakPolarHBondContact O-CB 3.38Å; L23-D27 VanDerWaalsContact O-CG 3.25Å; L23-D27 PolarHBondContact O-N 3.49Å
24I68.7Low71.9Confident64 Ų64124 Ų12433%0.32857%0.571SS.*Hα-helixtrans-64.2-40.8179.6-55.6169.1000111.7P19 N20 S21 R28P19-I24 HydrophobicContact CB-CD1 3.61Å; P19-I24 HydrophobicContact CB-CG1 4.25Å; P19-I24 HydrophobicContact CG-CD1 3.58Å; N20-I24 WeakPolarHBondContact O-CG1 3.44Å; N20-I24 PolarHBondContact O-N 3.41Å; N20-I24 VanDerWaalsContact O-N 3.1Å; S21-I24 PolarHBondContact O-N 3.34Å; I24-R28 VanDerWaalsContact O-CB 3.28Å; I24-R28 WeakPolarHBondContact O-CB 3.43Å; I24-R28 PolarHBondContact O-N 3.02Å
25H62.3Low70.7Confident118 Ų118122.9 Ų122.955%0.54657%0.566SS.*Hα-helixtrans-66.8-47.2176.7-83-75.3000111.6S21 L23 D27 R28 D29S21-H25 PolarHBondContact O-CD2 3.41Å; S21-H25 PolarHBondContact O-N 3.45Å; L23-H25 PolarHBondContact O-N 3.4Å; H25-D27 VanDerWaalsContact C-N 3.32Å; H25-D27 PolarHBondContact O-N 3.11Å; H25-R28 PolarHBondContact O-N 3.09Å; H25-D29 PolarHBondContact O-N 3.45Å
26R68Low69.3Low157 Ų157126.3 Ų126.359%0.59258%0.581SS**Hα-helixtrans-61.3-41.7177.7-165.6-158.170.3174.30.5111.8K22 L23 D29 W30K22-R26 WeakPolarHBondContact O-CB 3.4Å; K22-R26 PolarHBondContact O-N 3.41Å; L23-R26 PolarHBondContact O-N 3.01Å; R26-D29 PolarHBondContact O-N 3.02Å; R26-W30 WeakPolarHBondContact O-CB 3.48Å; R26-W30 PolarHBondContact O-N 3.04Å
27D69.2Low67.7Low78 Ų78124.4 Ų124.442%0.41758%0.578SS.*Hα-helixtrans-70.2-35178.9-73.4-1.5000111.3L23 H25 E31L23-D27 VanDerWaalsContact O-CB 3.28Å; L23-D27 WeakPolarHBondContact O-CB 3.38Å; L23-D27 VanDerWaalsContact O-CG 3.25Å; L23-D27 PolarHBondContact O-N 3.49Å; H25-D27 VanDerWaalsContact C-N 3.32Å; H25-D27 PolarHBondContact O-N 3.11Å; D27-E31 VanDerWaalsContact O-CB 3.3Å; D27-E31 WeakPolarHBondContact O-CB 3.5Å; D27-E31 PolarHBondContact O-N 3.22Å
28R74Confident66Low142 Ų142121.1 Ų121.154%0.53658%0.578SS.*Hα-helixtrans-67-42173.6-172.4-178.1-55-97.3-4112.3I24 H25 E31 R32I24-R28 VanDerWaalsContact O-CB 3.28Å; I24-R28 WeakPolarHBondContact O-CB 3.43Å; I24-R28 PolarHBondContact O-N 3.02Å; H25-R28 PolarHBondContact O-N 3.09Å; R28-E31 PolarHBondContact O-N 3.41Å; R28-R32 WeakPolarHBondContact O-CB 3.26Å; R28-R32 PolarHBondContact O-N 3.34Å
29D67.4Low64Low83 Ų83121.5 Ų121.544%0.44459%0.591SS.*Hα-helixtrans-70.2-39.2177.3-68.5-26.1000111H25 R26 E31 R32 E33H25-D29 PolarHBondContact O-N 3.45Å; R26-D29 PolarHBondContact O-N 3.02Å; D29-E31 VanDerWaalsContact C-N 3.35Å; D29-E31 PolarHBondContact O-N 2.9Å; D29-R32 WeakPolarHBondContact O-CB 3.34Å; D29-R32 PolarHBondContact O-N 3.12Å; D29-R32 IonicContact OD1-NE 3.92Å; D29-E33 WeakPolarHBondContact O-CB 3.47Å; D29-E33 PolarHBondContact O-N 3.04Å
30W67.7Low62.7Low149 Ų149122.7 Ų122.756%0.56460%0.599SS**Hα-helixtrans-60.7-40.2169.9178.4-105.9000112.6R26 R32 E33 R34R26-W30 WeakPolarHBondContact O-CB 3.48Å; R26-W30 PolarHBondContact O-N 3.04Å; W30-R32 VanDerWaalsContact C-N 3.35Å; W30-E33 PolarHBondContact O-N 3.29Å; W30-R34 VanDerWaalsContact NE1-CD 3.26Å; W30-R34 WeakPolarHBondContact O-CB 3.4Å; W30-R34 VanDerWaalsContact O-CG 3.23Å; W30-R34 WeakPolarHBondContact O-CG 3.44Å; W30-R34 PolarHBondContact O-N 3.21Å
31E72.6Confident60.9Low97 Ų97122.5 Ų122.545%0.45361%0.611SS.*Hα-helixtrans-71.1-32175.6-139.9-166.9-179.700112.1D27 R28 D29 R35D27-E31 VanDerWaalsContact O-CB 3.3Å; D27-E31 WeakPolarHBondContact O-CB 3.5Å; D27-E31 PolarHBondContact O-N 3.22Å; R28-E31 PolarHBondContact O-N 3.41Å; D29-E31 VanDerWaalsContact C-N 3.35Å; D29-E31 PolarHBondContact O-N 2.9Å; E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 3.19Å; E31-R35 IonicContact OE1-CZ 3.46Å; E31-R35 IonicContact OE1-NH1 3.27Å; E31-R35 PolarHBondContact OE1-NH1 3.48Å; E31-R35 IonicContact OE1-NH2 2.83Å; E31-R35 PolarHBondContact OE1-NH2 3.27Å; E31-R35 IonicContact OE2-CZ 3.73Å; E31-R35 IonicContact OE2-NH1 2.85Å; E31-R35 PolarHBondContact OE2-NH1 3.38Å; E31-R35 IonicContact OE2-NH2 3.67Å
32R69.3Low59.6Low168 Ų168124.1 Ų124.163%0.63462%0.622SS**Hα-helixtrans-70.5-34174.8-154.8-165.4-60.5-99.58.5111.5R28 D29 W30 R35R28-R32 WeakPolarHBondContact O-CB 3.26Å; R28-R32 PolarHBondContact O-N 3.34Å; D29-R32 WeakPolarHBondContact O-CB 3.34Å; D29-R32 PolarHBondContact O-N 3.12Å; D29-R32 IonicContact OD1-NE 3.92Å; W30-R32 VanDerWaalsContact C-N 3.35Å; R32-R35 VanDerWaalsContact O-O 3.06Å
33E63.9Low58.3Low154 Ų154121.8 Ų121.872%0.7263%0.625SS**Hα-helixtrans-79.5-29.6177.1-167.5164.3-151.800112.6D29 W30D29-E33 WeakPolarHBondContact O-CB 3.47Å; D29-E33 PolarHBondContact O-N 3.04Å; W30-E33 PolarHBondContact O-N 3.29Å
34R63.9Low57.2Low175 Ų175122.7 Ų122.766%0.6664%0.638SS**Hα-helixtrans-78.8-24.8173.4-74.3177.465.787.63.5114.1W30 L36W30-R34 VanDerWaalsContact NE1-CD 3.26Å; W30-R34 WeakPolarHBondContact O-CB 3.4Å; W30-R34 VanDerWaalsContact O-CG 3.23Å; W30-R34 WeakPolarHBondContact O-CG 3.44Å; W30-R34 PolarHBondContact O-N 3.21Å; R34-L36 PolarHBondContact O-N 3.44Å
35R63Low55.9Low151 Ų151126 Ų12657%0.5766%0.664SS**SBendtrans-76.4102.5165.2-72.9-175.6178.993.67106.3E31 R32E31-R35 WeakPolarHBondContact O-CG 3.48Å; E31-R35 PolarHBondContact O-N 3.19Å; E31-R35 IonicContact OE1-CZ 3.46Å; E31-R35 IonicContact OE1-NH1 3.27Å; E31-R35 PolarHBondContact OE1-NH1 3.48Å; E31-R35 IonicContact OE1-NH2 2.83Å; E31-R35 PolarHBondContact OE1-NH2 3.27Å; E31-R35 IonicContact OE2-CZ 3.73Å; E31-R35 IonicContact OE2-NH1 2.85Å; E31-R35 PolarHBondContact OE2-NH1 3.38Å; E31-R35 IonicContact OE2-NH2 3.67Å; R32-R35 VanDerWaalsContact O-O 3.06Å
36L52Low55Low154 Ų154130.3 Ų130.381%0.80668%0.681SS**  trans-37.7136.1175.6-63169.4000110.6R34 S38R34-L36 PolarHBondContact O-N 3.44Å; L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.93Å
37P49.6Very low53.4Low116 Ų116126.6 Ų126.675%0.75369%0.692SS**  trans-63.199.9165.326.4-30.8000107.4S39P37-S39 VanDerWaalsContact C-N 3.27Å; P37-S39 PolarHBondContact O-N 3.19Å
38S47.4Very low51.9Low111 Ų111129.4 Ų129.478%0.77671%0.712SS**  trans-57.8102.7151.746.10000105.6L36L36-S38 VanDerWaalsContact C-N 3.3Å; L36-S38 PolarHBondContact O-N 2.93Å
39S39.2Very low50.9Low112 Ų112128.3 Ų128.378%0.78372%0.723SS**  trans-41.3146.4179.2-830000111.7P37P37-S39 VanDerWaalsContact C-N 3.27Å; P37-S39 PolarHBondContact O-N 3.19Å
40P48.2Very low49.4Very low120 Ų120134.1 Ų134.178%0.77975%0.748SS**  -135141.6106.934.3-22.7000113.6
41A35.8Very low48Very low91 Ų91136.3 Ų136.375%0.75276%0.761SS**  trans69.4102.4149.800000118.8
42S39.3Very low46Very low108 Ų108136.3 Ų136.376%0.75578%0.778SS**  trans-55.6133.7148.5-39.50000110.8S44S42-S44 PolarHBondContact O-N 2.93Å
43P40.4Very low44.1Very low125 Ų125135.7 Ų135.781%0.81279%0.787SS**  trans-78.7105153.329.5-26000107.8
44S39.1Very low42.5Very low103 Ų103136.2 Ų136.272%0.7279%0.79SS**  trans-64.3130.8164-58.20000109.8S42 K46S42-S44 PolarHBondContact O-N 2.93Å; S44-K46 PolarHBondContact O-N 3.21Å
45P41.9Very low41.8Very low133 Ų133132.3 Ų132.386%0.86479%0.787SS**  trans-87.796.315931.3-23.9000107.9
46K42.6Very low40.2Very low209 Ų209130.1 Ų130.191%0.90979%0.79SS**  trans-96.8113.6159.8-108-171178.5-176.90107.7S44S44-K46 PolarHBondContact O-N 3.21Å
47G34Very low39.5Very low80 Ų80131.4 Ų131.483%0.82579%0.789SS**  trans-166.986.3169.300000110.4
48T38.9Very low38.7Very low137 Ų137131.9 Ų131.984%0.8479%0.79SS**  trans-91.7176.5165.340.70000109.7
49P52.7Low38.3Very low119 Ų119134.3 Ų134.377%0.77379%0.789SS**  cis-131.3158.4-46.835.9-20000111.8
50E35.4Very low38Very low204 Ų204134.7 Ų134.795%0.95379%0.787SS**  trans-147.4155.8159.7-148.7174.9142.800112.2
51K39Very low37.7Very low196 Ų196137.3 Ų137.385%0.85279%0.791SS**  trans-111.6165.8-143.2-176-174.2-179.3-175.90111.6
52A30.4Very low38.1Very low97 Ų97138.3 Ų138.380%0.80279%0.788SS**  trans87.7140.4160.800000115.7
53N28.8Very low38.1Very low154 Ų154140 Ų14082%0.82479%0.793SS**  cis-165.7155.5-6.7-167.12.7000106.7
54E31.8Very low37.9Very low166 Ų166138.7 Ų138.778%0.77679%0.787SS**  trans-48.8-175.7177.1-105.4-159.8110.900117.7
55P48.8Very low37.9Very low92 Ų92139.9 Ų139.960%0.59780%0.795SS**  -139.9-167.7-50.438.8-18.3000113
56V29.5Very low38.1Very low105 Ų105141.6 Ų141.664%0.63680%0.796SS**  trans95.1114.2143.8148.90000122
57K36.8Very low38.2Very low181 Ų181136.2 Ų136.279%0.78779%0.791SS**  trans66.2140.8140.9-48.8166-165.8173.80117.3
58T33.4Very low38.6Very low126 Ų126140.2 Ų140.277%0.77379%0.791SS**  cis-168.8145.739.6-45.60000104.1
59E37.6Very low38.9Very low163 Ų163144.7 Ų144.776%0.76279%0.793SS**  -175.4128.369.1-169.1166.7-170.600109.8
60T33.8Very low38.3Very low119 Ų119148.6 Ų148.673%0.7380%0.798SS**  trans-93.3121.5169.6-61.30000107.3T62T60-T62 HydrophobicContact CG2-CG2 4.03Å
61M41.7Very low38.4Very low176 Ų176148.2 Ų148.287%0.86779%0.793SS**  trans-98.4100.7157.4-88.7-148.115200109.6
62T43.6Very low38.4Very low112 Ų112147 Ų14769%0.68779%0.794SS**  trans-67134.2163.635.90000111.4T60T60-T62 HydrophobicContact CG2-CG2 4.03Å
63V39Very low38.6Very low142 Ų142150.1 Ų150.186%0.86179%0.792SS**  trans-133.391.9143.9-168.60000109.5
64S37.1Very low39.4Very low99 Ų99147.5 Ų147.569%0.69278%0.784SS**  trans30.9107.5143-55.80000120.4
65S40Very low39.4Very low127 Ų127147.9 Ų147.989%0.88879%0.785SS**  trans-74.3119.6150.9-45.30000109.9
66L46Very low39Very low169 Ų169147.5 Ų147.589%0.88579%0.79SS**  trans-110.1118.5163.3-85.1157.5000108.6
67A43.4Very low39.6Very low96 Ų96149 Ų14979%0.79380%0.799SS**  trans-76.4127.4176.900000111.2
68I42.6Very low39.7Very low164 Ų164147.3 Ų147.384%0.84180%0.798SS**  trans-138107.2154.4-58.5-175.5000110.2
69R46.3Very low39.6Very low231 Ų231148.5 Ų148.587%0.87280%0.795SS**  trans-52.9125.7158.261.9-151.9173.6-156.7-3.5112.6
70K38.6Very low39.9Very low201 Ų201146.8 Ų146.887%0.87480%0.795SS**  174.1114.2129.7-110.9177.4164.5170.90111.6
71K38.3Very low40.1Very low196 Ų196152.3 Ų152.385%0.85280%0.803SS**  trans21.6109.8135.2-165.5-175.2-175.1-157.30117
72I38.3Very low40.2Very low171 Ų171150.3 Ų150.388%0.87780%0.801SS**  trans-160.7115.2132.8-95.6139000107.1
73E35.4Very low40Very low163 Ų163150.4 Ų150.476%0.76281%0.806SS**  trans-103.8154.1155-118.9-100.9118.600104.2E75E73-E75 PolarHBondContact OE1-N 2.94Å
74P45.7Very low40.3Very low99 Ų99148 Ų14864%0.64380%0.801SS**  cis-147.5174.63640.6-19.2000118.4
75E32.2Very low40.3Very low173 Ų173151.8 Ų151.881%0.80881%0.81SS**  trans95.7138.2145.1-70.2-141101.600121.9E73E73-E75 PolarHBondContact OE1-N 2.94Å
76A39.6Very low40Very low85 Ų85151.6 Ų151.670%0.70280%0.799SS**  trans8773.3155.200000118.9
77V41.3Very low40Very low137 Ų137150.7 Ų150.783%0.8380%0.795SS**  54.197.6124-179.50000116.4
78L39Very low39.8Very low145 Ų145151.2 Ų151.276%0.75979%0.788SS**  trans-142.3138.3141-81.6-172.8000111.4
79Q33.1Very low39.9Very low151 Ų151151.2 Ų151.271%0.70679%0.785SS**  trans81.3117.9140.2-75.8169.3800119.4
80T42.2Very low39.5Very low126 Ų126148.5 Ų148.577%0.77378%0.782SS**  47.892.6113.6-49.50000114.8
81R39.5Very low39.9Very low235 Ų235144.8 Ų144.889%0.88778%0.776SS**  trans-140.5114.3145.1-72.1-164.4173-167-3.7110.8S83R81-S83 PolarHBondContact O-N 3.26Å
82V43.7Very low39.6Very low135 Ų135143 Ų14382%0.81878%0.776SS**  trans-35.4125.2150.5171.20000109.4
83S39.6Very low40.1Very low114 Ų114138.3 Ų138.380%0.79777%0.77SS**  trans-123106.9161.2-68.40000107.6R81R81-S83 PolarHBondContact O-N 3.26Å
84A43.4Very low40Very low92 Ų92135.7 Ų135.776%0.7677%0.769SS**  trans-88.9110.6158.300000107.1
85M39Very low40Very low177 Ų177136 Ų13687%0.87278%0.78SS**  trans-178.8138162.5-123.1140.367.100103.7
86D32.6Very low40.6Very low124 Ų124133 Ų13366%0.66378%0.778SS**  cis-162.9152.75.6-175.3-121.4000104.7T88D86-T88 PolarHBondContact O-N 3.06Å; D86-T88 PolarHBondContact OD1-OG1 3.26Å
87N46.8Very low40.7Very low150 Ų150135.1 Ų135.180%0.80278%0.782SS**  trans-75104.5169.1-175.9-41.5000107.8
88T37.7Very low40.8Very low107 Ų107131.2 Ų131.266%0.65677%0.769SS**  trans-132.6109.3163.2-29.20000110.6D86 Q90D86-T88 PolarHBondContact O-N 3.06Å; D86-T88 PolarHBondContact OD1-OG1 3.26Å; T88-Q90 PolarHBondContact O-N 3.18Å
89Q46.2Very low41.2Very low164 Ų164134.3 Ų134.377%0.76677%0.771SS**  trans-49.7121.3163.2173.9173.565.200112.5
90Q37.9Very low41.8Very low174 Ų174135.1 Ų135.181%0.81378%0.775SS**  trans-152.1102.8153.4-65.2-165.263.300105.9T88T88-Q90 PolarHBondContact O-N 3.18Å
91V45.7Very low42Very low123 Ų123137.3 Ų137.375%0.74577%0.774SS**  34.492.286.6-169.80000111.4
92D32.5Very low42.9Very low158 Ų158132.5 Ų132.585%0.84577%0.765SS**  178.4157.996.3-136.7-21.7000110.6
93G48.3Very low43.5Very low73 Ų73129.8 Ų129.875%0.75376%0.756SS**  trans-60.6132.6-167.800000115.7
94S34.6Very low44.6Very low108 Ų108127 Ų12776%0.75573%0.734SS**  trans-150.3129.7143.464.80000109.8S96S94-S96 PolarHBondContact O-N 3Å
95A46.1Very low46.2Very low105 Ų105127.6 Ų127.687%0.86873%0.729SS**  trans-6297.4175.500000109.4V97A95-V97 PolarHBondContact O-N 2.87Å
96S43.6Very low48.4Very low110 Ų110123.9 Ų123.977%0.76972%0.718SS**  trans-85.995161.549.50000107.4S94 G98S94-S96 PolarHBondContact O-N 3Å; S96-G98 PolarHBondContact O-N 3.24Å
97V42.9Very low51Low129 Ų129120.1 Ų120.178%0.78270%0.701SS**  trans2.9113.6148.2178.90000111.6A95 R99A95-V97 PolarHBondContact O-N 2.87Å; V97-R99 PolarHBondContact O-N 2.68Å
98G42.3Very low53.1Low55 Ų55118.8 Ų118.857%0.56769%0.693SS**  trans-43.3103.4174.700000110S96 E100S96-G98 PolarHBondContact O-N 3.24Å; G98-E100 PolarHBondContact O-N 2.74Å
99R47.5Very low55.6Low211 Ų211116.5 Ų116.580%0.79668%0.679SS**  trans-6792.3144.1-77.5-163.7-170.1-154.54.5103V97 F101V97-R99 PolarHBondContact O-N 2.68Å; R99-F101 HydrophobicContact CB-CD2 3.96Å; R99-F101 HydrophobicContact CB-CE2 4.11Å; R99-F101 PolarHBondContact O-N 3.36Å
100E46.4Very low57.6Low167 Ų167111.9 Ų111.978%0.7866%0.662SS**  trans-49.480.4144.639.3-142.8110.800106.9G98 I102G98-E100 PolarHBondContact O-N 2.74Å; E100-I102 PolarHBondContact O-N 2.76Å
101F46.9Very low59.9Low172 Ų172105.8 Ų105.875%0.75463%0.633SS**  trans-5786.8146.8-84.8-87.9000102.5R99 A103R99-F101 HydrophobicContact CB-CD2 3.96Å; R99-F101 HydrophobicContact CB-CE2 4.11Å; R99-F101 PolarHBondContact O-N 3.36Å; F101-A103 PolarHBondContact O-N 2.78Å
102I57.7Low61.8Low135 Ų135101.9 Ų101.969%0.69261%0.61SS**  trans-51.3104.8163.7-50.3172.4000101.5E100 T104E100-I102 PolarHBondContact O-N 2.76Å; I102-T104 PolarHBondContact O-N 3.37Å; I102-T104 PolarHBondContact O-OG1 2.67Å
103A55.9Low64.4Low77 Ų7796.6 Ų96.664%0.63658%0.581SS**  trans-68.881.8176.800000103.9F101 T105F101-A103 PolarHBondContact O-N 2.78Å; A103-T105 PolarHBondContact O-N 2.93Å
104T63.2Low66Low55 Ų5594.7 Ų94.734%0.33756%0.556SS.*  trans-61.2108.7-179-52.10000104.9I102 T175I102-T104 PolarHBondContact O-N 3.37Å; I102-T104 PolarHBondContact O-OG1 2.67Å; T104-T175 HydrophobicContact CG2-CG2 3.95Å
105T75.7Confident68.1Low106 Ų10691.3 Ų91.365%0.6553%0.531SS*.  trans-59.7141.7178.846.30000107.6A103 S107A103-T105 PolarHBondContact O-N 2.93Å; T105-S107 PolarHBondContact O-N 2.91Å
106P85.3Confident69.7Low99 Ų9989.2 Ų89.264%0.64351%0.507SS*.  trans-57.9130.6174.425.5-33000108.8T175P106-T175 CarbonylContact C-O 3.54Å; P106-T175 WeakPolarHBondContact CA-O 3.31Å
107S88Confident70.9Confident45 Ų4588 Ų8832%0.31549%0.491SS..EExtended strand (participates in β ladder)trans-139.8154.4-174.770.20000110.8T105 K174 T175T105-S107 PolarHBondContact O-N 2.91Å; S107-K174 CarbonylContact O-C 3.58Å; S107-K174 WeakPolarHBondContact O-CA 3.33Å; S107-T175 PolarHBondContact N-O 3.01Å; S107-T175 PolarHBondContact O-N 2.83Å; S107-T175 WeakPolarHBondContact OG-CB 3.18Å
108I91.8Very high71.8Confident122 Ų12286.7 Ų86.763%0.62648%0.476SS*.EExtended strand (participates in β ladder)trans-125.5124.3173.5-60.3173000106.6V172 T173 K174I108-V172 HydrophobicContact CG2-CG1 3.74Å; I108-T173 CarbonylContact C-O 3.58Å; I108-T173 WeakPolarHBondContact CA-O 3.31Å; I108-K174 HydrophobicContact CG1-CG 4.17Å
109T89Confident72.4Confident59 Ų5988 Ų8836%0.36247%0.47SS..EExtended strand (participates in β ladder)trans-117.5139.3173.162.60000109.4V172 T173T109-V172 CarbonylContact O-C 3.52Å; T109-V172 WeakPolarHBondContact O-CA 3.42Å; T109-T173 PolarHBondContact N-O 2.79Å; T109-T173 PolarHBondContact O-N 3.18Å; T109-T173 WeakPolarHBondContact OG1-CB 3.39Å
110T88.9Confident72.5Confident67 Ų6782.3 Ų82.341%0.41146%0.462SS..EExtended strand (participates in β ladder)trans-122128.7178.3-57.60000108.1T170 H171 V172T110-T170 HydrophobicContact CG2-CG2 3.54Å; T110-H171 CarbonylContact C-O 3.54Å; T110-H171 VanDerWaalsContact CA-O 3.32Å; T110-H171 WeakPolarHBondContact CA-O 3.29Å; T110-V172 HydrophobicContact CG2-CG2 3.92Å
111E86.5Confident72.6Confident45 Ų4582 Ų8221%0.2147%0.466CS..EExtended strand (participates in β ladder)trans-124.4135.7178.1-67.3-176149.500108.8R142 L144 T170 H171E111-R142 IonicContact OE1-CZ 3.45Å; E111-R142 IonicContact OE1-NE 3.16Å; E111-R142 PolarHBondContact OE1-NE 3.3Å; E111-R142 VanDerWaalsContact OE1-NE 3.16Å; E111-R142 IonicContact OE1-NH2 2.91Å; E111-R142 PolarHBondContact OE1-NH2 2.98Å; E111-L144 HydrophobicContact CG-CD2 3.97Å; E111-L144 VanDerWaalsContact OE1-CD2 3.31Å; E111-L144 WeakPolarHBondContact OE1-CD2 3.44Å; E111-T170 CarbonylContact O-C 3.56Å; E111-T170 WeakPolarHBondContact O-CA 3.37Å; E111-H171 PolarHBondContact N-O 2.77Å; E111-H171 PolarHBondContact O-N 2.74Å
112T85.6Confident72.6Confident41 Ų4183.6 Ų83.625%0.25247%0.472SS..EExtended strand (participates in β ladder)trans-116.4130.6176.3-61.40000109.4T168 T169 T170T112-T168 HydrophobicContact CG2-CG2 3.57Å; T112-T169 CarbonylContact C-O 3.52Å; T112-T169 WeakPolarHBondContact CA-O 3.46Å; T112-T170 PolarHBondContact OG1-OG1 3.18Å
113I86.3Confident72Confident48 Ų4882.6 Ų82.625%0.24648%0.477CS..EExtended strand (participates in β ladder)trans-123.1130.1-176.2-56.5173.4000108.8T168 T169I113-T168 CarbonylContact O-C 3.53Å; I113-T168 VanDerWaalsContact O-CA 3.31Å; I113-T168 WeakPolarHBondContact O-CA 3.37Å; I113-T169 PolarHBondContact N-O 3.24Å; I113-T169 PolarHBondContact O-N 2.78Å
114S81.1Confident71.4Confident32 Ų3282.1 Ų82.122%0.22448%0.479CS..EExtended strand (participates in β ladder)trans-109.4136172.4-70.20000110.4S167 T168S114-S167 CarbonylContact C-O 3.53Å; S114-S167 WeakPolarHBondContact CA-O 3.28Å; S114-T168 PolarHBondContact OG-OG1 2.99Å; S114-T168 VanDerWaalsContact OG-OG1 3.05Å
115T80Confident70.5Confident37 Ų3790 Ų9023%0.22751%0.509CS..EExtended strand (participates in β ladder)trans-135.7129-178.9-51.20000109.1T136 A138 T166 S167T115-T136 HydrophobicContact CG2-CG2 4.02Å; T115-A138 HydrophobicContact CG2-CB 4.3Å; T115-T166 CarbonylContact O-C 3.48Å; T115-T166 WeakPolarHBondContact O-CA 3.37Å; T115-S167 PolarHBondContact N-O 2.82Å; T115-S167 PolarHBondContact O-N 3.05Å
116T78.3Confident68.8Low61 Ų6188.5 Ų88.537%0.37452%0.515SS..EExtended strand (participates in β ladder)trans-109131.5176.4-55.10000109
117M69.6Low66.7Low85 Ų8588.8 Ų88.842%0.41953%0.525SS..EExtended strand (participates in β ladder)trans-109.3109.3178.3-68.6-168.267.300110L164 S165M117-L164 CarbonylContact O-C 3.05Å; M117-L164 VanDerWaalsContact O-CB 3.3Å; M117-L164 WeakPolarHBondContact O-CB 3.1Å; M117-S165 PolarHBondContact N-O 2.76Å
118E62.8Low64.2Low102 Ų10291.1 Ų91.148%0.47755%0.547SS..  trans-83.9122.2172.4-168.9-153.8129.500110S120E118-S120 WeakPolarHBondContact OE1-CB 3.46Å; E118-S120 PolarHBondContact OE1-OG 3.38Å
119N53.3Low61.7Low83 Ų8390.2 Ų90.244%0.44456%0.558SS.*  trans-110.474.5175-12240.1000108.8L121 L164N119-L121 PolarHBondContact O-N 2.7Å; N119-L164 HydrophobicContact CB-CB 3.76Å; N119-L164 HydrophobicContact CB-CD1 3.73Å; N119-L164 HydrophobicContact CB-CD2 3.27Å; N119-L164 HydrophobicContact CB-CG 3.7Å; N119-L164 WeakPolarHBondContact O-CD1 3.43Å
120S51.2Low59.4Low90 Ų9095.4 Ų95.463%0.62958%0.58SS**  trans-58.7102177.4-102.90000111.5E118E118-S120 WeakPolarHBondContact OE1-CB 3.46Å; E118-S120 PolarHBondContact OE1-OG 3.38Å
121L46.6Very low57.3Low162 Ų162100 Ų10085%0.84860%0.6SS**  trans-94.284.8164.6-71.9178.2000108.5N119 S123N119-L121 PolarHBondContact O-N 2.7Å; L121-S123 PolarHBondContact O-N 2.71Å; L121-S123 VanDerWaalsContact O-N 3.09Å
122K47.8Very low55.2Low204 Ų204103.1 Ų103.189%0.88763%0.625SS**  trans-76.4104.9176.1-152.6175.9-171.6-177.40110.5
123S45.1Very low53Low115 Ų115103.1 Ų103.180%0.80463%0.633SS**  trans-59.8129161.4179.90000110.3L121L121-S123 PolarHBondContact O-N 2.71Å; L121-S123 VanDerWaalsContact O-N 3.09Å
124G42.7Very low51Low66 Ų66105.4 Ų105.468%0.6865%0.651SS**SBendtrans83.690.614600000119.5
125K45.1Very low49.4Very low222 Ų222110.7 Ų110.797%0.96567%0.672SS**  67.9100.8128.5-142.2159.8-172175.60119.1
126G39.9Very low47.9Very low74 Ų74113 Ų11376%0.76369%0.686SS**  trans149.599.1153.200000114.6
127A42Very low46.6Very low105 Ų105114.2 Ų114.287%0.86869%0.693SS**SBendtrans60.6134.3156.700000119.9
128A34.4Very low45.4Very low93 Ų93113.3 Ų113.377%0.76970%0.699SS**  trans68.780.5174.200000115.7M130A128-M130 PolarHBondContact O-N 2.79Å
129A38.6Very low44.8Very low104 Ų104112.5 Ų112.586%0.8670%0.702SS**  trans-68.975.5165.800000110.7I131A129-I131 PolarHBondContact O-N 2.87Å
130M41.2Very low44.4Very low168 Ų168115.7 Ų115.783%0.82871%0.714SS**  trans-73.3113.2150.3-81.4177.16000106.1A128 P132A128-M130 PolarHBondContact O-N 2.79Å; M130-P132 WeakPolarHBondContact O-CD 3.29Å; M130-P132 VanDerWaalsContact O-N 3.12Å
131I45Very low44.4Very low162 Ų162116.2 Ų116.283%0.83171%0.708SS**  trans-55.7110.8176.9-56.8174.5000108.4A129 G133A129-I131 PolarHBondContact O-N 2.87Å; I131-G133 PolarHBondContact O-N 2.81Å
132P42.7Very low44.5Very low112 Ų112116.1 Ų116.173%0.72770%0.697SS**  trans-93.396.8168.613.68.5000106.3M130M130-P132 WeakPolarHBondContact O-CD 3.29Å; M130-P132 VanDerWaalsContact O-N 3.12Å
133G38.9Very low44.8Very low41 Ų41108.5 Ų108.542%0.42367%0.669SS.*  trans-62.8160.8161.700000110.2I131 Q135I131-G133 PolarHBondContact O-N 2.81Å; G133-Q135 PolarHBondContact O-N 2.91Å
134P44.5Very low44.6Very low96 Ų96107.3 Ų107.362%0.62365%0.653SS**  trans-52.1112.8-176.620.5-32.3000111T136P134-T136 PolarHBondContact O-N 3.19Å
135Q47.7Very low44.5Very low142 Ų142108.6 Ų108.666%0.66465%0.652SS**  trans-81.598.5173-66.9-150.539.500108G133 V137G133-Q135 PolarHBondContact O-N 2.91Å; Q135-V137 PolarHBondContact O-N 2.81Å
136T48.4Very low44.5Very low85 Ų85104 Ų10452%0.52165%0.645SS.*EExtended strand (participates in β ladder)trans-76.7103.3175.2-58.60000108.2T115 P134 A138T115-T136 HydrophobicContact CG2-CG2 4.02Å; P134-T136 PolarHBondContact O-N 3.19Å; T136-A138 PolarHBondContact O-N 2.81Å
137V50.7Low44.9Very low88 Ų88106 Ų10653%0.53364%0.637SS.*EExtended strand (participates in β ladder)trans-89.595.1171.6-176.40000107.9Q135Q135-V137 PolarHBondContact O-N 2.81Å
138A44.6Very low45.1Very low66 Ų66109.6 Ų109.655%0.54564%0.64SS.*EExtended strand (participates in β ladder)trans-88.5110.517600000110T115 T136T115-A138 HydrophobicContact CG2-CB 4.3Å; T136-A138 PolarHBondContact O-N 2.81Å
139T50.1Low45.1Very low85 Ų85107 Ų10752%0.52162%0.621SS.*EExtended strand (participates in β ladder)trans-91.398.9169.4-50.90000109I141T139-I141 HydrophobicContact CG2-CG1 4.24Å; T139-I141 PolarHBondContact O-N 2.95Å
140E44.6Very low45.3Very low150 Ų150111.7 Ų111.770%0.70162%0.623SS**  trans-69.296174.7-101.5-167.7114.200110.9R142E140-R142 PolarHBondContact O-N 2.75Å
141I51.1Low45.2Very low100 Ų100109.9 Ų109.951%0.51362%0.616SS.*  trans-87.980.7168.4-52.5176.9000108.2T139 S143T139-I141 HydrophobicContact CG2-CG1 4.24Å; T139-I141 PolarHBondContact O-N 2.95Å; I141-S143 PolarHBondContact O-N 2.8Å
142R50Low45.1Very low160 Ų160108.1 Ų108.160%0.60461%0.612SS**  trans-73.589.9-178.9-172.1175.2-168172.14111.6E111 E140 L144E111-R142 IonicContact OE1-CZ 3.45Å; E111-R142 IonicContact OE1-NE 3.16Å; E111-R142 PolarHBondContact OE1-NE 3.3Å; E111-R142 VanDerWaalsContact OE1-NE 3.16Å; E111-R142 IonicContact OE1-NH2 2.91Å; E111-R142 PolarHBondContact OE1-NH2 2.98Å; E140-R142 PolarHBondContact O-N 2.75Å; R142-L144 HydrophobicContact CG-CD1 4.29Å; R142-L144 HydrophobicContact CG-CG 3.96Å; R142-L144 PolarHBondContact O-N 2.84Å
143S52.9Low45.5Very low44 Ų44110 Ų11031%0.30862%0.616SS.*  trans-83.993.7170.466.80000110.7I141I141-S143 PolarHBondContact O-N 2.8Å
144L42.4Very low45.5Very low91 Ų91113.1 Ų113.148%0.47663%0.627SS.*  trans-94.893.6169.4-75.8172000109.1E111 R142E111-L144 HydrophobicContact CG-CD2 3.97Å; E111-L144 VanDerWaalsContact OE1-CD2 3.31Å; E111-L144 WeakPolarHBondContact OE1-CD2 3.44Å; R142-L144 HydrophobicContact CG-CD1 4.29Å; R142-L144 HydrophobicContact CG-CG 3.96Å; R142-L144 PolarHBondContact O-N 2.84Å
145S39.9Very low45.7Very low92 Ų92112.3 Ų112.364%0.64362%0.623SS**SBendtrans170.9157.8153.8-83.60000113.9I147S145-I147 VanDerWaalsContact O-CG1 3.27Å; S145-I147 WeakPolarHBondContact O-CG1 3.38Å; S145-I147 PolarHBondContact O-N 2.76Å
146P45.5Very low45.5Very low127 Ų127111.6 Ų111.683%0.82563%0.629SS**  trans-71.3104.1164.329.9-29.2000108.8I148P146-I148 PolarHBondContact O-N 2.75Å
147I48.1Very low45.3Very low115 Ų115116.4 Ų116.459%0.5964%0.639SS**  trans-78.688.8-165.7-50.5178.2000110.9S145 G149S145-I147 VanDerWaalsContact O-CG1 3.27Å; S145-I147 WeakPolarHBondContact O-CG1 3.38Å; S145-I147 PolarHBondContact O-N 2.76Å; I147-G149 WeakPolarHBondContact CG2-O 3.42Å
148I46.8Very low44.9Very low181 Ų181115.1 Ų115.193%0.92864%0.643SS**  trans-9481.2144.9-61.8173000105.4P146P146-I148 PolarHBondContact O-N 2.75Å
149G34.1Very low44.9Very low37 Ų37116.2 Ų116.238%0.38165%0.653SS.*SBendtrans-166.5108.6-172.900000108.9I147 D151I147-G149 WeakPolarHBondContact CG2-O 3.42Å; G149-D151 PolarHBondContact O-N 3.37Å
150K42.7Very low44.5Very low204 Ų204117.4 Ų117.489%0.88766%0.66SS**  trans-58.274.3171.848.3138.2176.3-84.50112.1
151D38.8Very low44.7Very low129 Ų129114.8 Ų114.869%0.6966%0.664SS**  trans-101.196.6164.4-62.2-47000106.8G149 L153G149-D151 PolarHBondContact O-N 3.37Å; D151-L153 PolarHBondContact O-N 3.16Å
152V42.6Very low44.7Very low125 Ų125117.5 Ų117.576%0.75868%0.675SS**  trans-55.697.3159.6170.80000105T154V152-T154 PolarHBondContact O-N 2.81Å; V152-T154 PolarHBondContact O-OG1 2.91Å
153L50.2Low45Very low152 Ų152112.8 Ų112.880%0.79666%0.664SS**  trans-61.988.2161.7-65.8176.9000104.7D151 S155D151-L153 PolarHBondContact O-N 3.16Å; L153-S155 PolarHBondContact O-N 2.74Å
154T40.3Very low46Very low106 Ų106113.7 Ų113.765%0.6566%0.664SS**  trans-66.185.7166.3-41.30000103.4V152 T156V152-T154 PolarHBondContact O-N 2.81Å; V152-T154 PolarHBondContact O-OG1 2.91Å; T154-T156 HydrophobicContact CG2-CG2 4.48Å; T154-T156 PolarHBondContact O-N 3.28Å
155S49Very low47.7Very low79 Ų79110.9 Ų110.955%0.55265%0.653SS**  trans-6681.9166.8-1690000104.6L153 Y157L153-S155 PolarHBondContact O-N 2.74Å; S155-Y157 PolarHBondContact O-N 2.82Å; S155-Y157 WeakPolarHBondContact OG-CD2 3.5Å; S155-Y157 WeakPolarHBondContact OG-CE2 3.27Å
156T43.1Very low49.8Very low128 Ų128108 Ų10879%0.78563%0.631SS**  trans-64.577.9158.4300000105.5T154 G158T154-T156 HydrophobicContact CG2-CG2 4.48Å; T154-T156 PolarHBondContact O-N 3.28Å; T156-G158 PolarHBondContact O-N 2.74Å
157Y44.1Very low51.7Low185 Ų185102.5 Ų102.573%0.72560%0.596SS**  trans-60.980.7154.4-92-87.8000105.7S155 A159S155-Y157 PolarHBondContact O-N 2.82Å; S155-Y157 WeakPolarHBondContact OG-CD2 3.5Å; S155-Y157 WeakPolarHBondContact OG-CE2 3.27Å; Y157-A159 PolarHBondContact O-N 3.38Å
158G41.6Very low53.7Low61 Ų6198.5 Ų98.563%0.62958%0.577SS**  trans-68.28615000000105.5T156 T160T156-G158 PolarHBondContact O-N 2.74Å; G158-T160 PolarHBondContact O-N 2.79Å
159A44.1Very low55.6Low90 Ų9090.6 Ų90.674%0.74454%0.537SS*.  trans-67.474.9166.600000107.6Y157Y157-A159 PolarHBondContact O-N 3.38Å
160T42.7Very low58.3Low110 Ų11090.1 Ų90.168%0.67553%0.526SS*.  trans-71.5125.5160.145.20000106.2G158 E162G158-T160 PolarHBondContact O-N 2.79Å; T160-E162 PolarHBondContact O-N 2.85Å
161A49.3Very low60.7Low95 Ų9582.4 Ų82.479%0.78549%0.494SS*.SBendtrans-6933-163.800000115.8
162E50.7Low63.4Low157 Ų15777.2 Ų77.273%0.73447%0.466SS*.  trans-136.4102.6174.9-59.2-177.9157.300106.5T160T160-E162 PolarHBondContact O-N 2.85Å
163T56.9Low65.8Low61 Ų6172.3 Ų72.337%0.37444%0.437SS..  trans-137.299.6179.7-51.30000112.6G193T163-G193 WeakPolarHBondContact O-CA 3.03Å; T163-G193 PolarHBondContact O-N 3.46Å
164L72.1Confident67.9Low62 Ų6269.3 Ų69.333%0.32542%0.417SS..  trans-87.9145.7158.1-67110.6000109.6M117 N119M117-L164 CarbonylContact O-C 3.05Å; M117-L164 VanDerWaalsContact O-CB 3.3Å; M117-L164 WeakPolarHBondContact O-CB 3.1Å; N119-L164 HydrophobicContact CB-CB 3.76Å; N119-L164 HydrophobicContact CB-CD1 3.73Å; N119-L164 HydrophobicContact CB-CD2 3.27Å; N119-L164 HydrophobicContact CB-CG 3.7Å; N119-L164 WeakPolarHBondContact O-CD1 3.43Å
165S78.8Confident70.4Confident33 Ų3365.3 Ų65.323%0.23139%0.393CS..  trans-4.5118.7-172.8-155.90000119.7M117 I190 I191M117-S165 PolarHBondContact N-O 2.76Å; S165-I190 WeakPolarHBondContact OG-CG2 3.3Å; S165-I191 CarbonylContact C-O 3.52Å; S165-I191 VanDerWaalsContact CA-O 3.32Å; S165-I191 WeakPolarHBondContact CA-O 3.42Å
166T84.1Confident72.4Confident30 Ų3064.4 Ų64.418%0.18438%0.384CS..EExtended strand (participates in β ladder)trans-105.6129.6164.9-600000110.5T115 I190 I191T115-T166 CarbonylContact O-C 3.48Å; T115-T166 WeakPolarHBondContact O-CA 3.37Å; T166-I190 CarbonylContact O-C 3.51Å; T166-I190 WeakPolarHBondContact O-CA 3.12Å; T166-I191 PolarHBondContact N-O 3.43Å; T166-I191 PolarHBondContact O-N 3.09Å
167S86.4Confident74.4Confident12 Ų1266.7 Ų66.78%0.08438%0.383CS..EExtended strand (participates in β ladder)trans-119.5126.3178.8179.50000111.7S114 T115 R188 I189S114-S167 CarbonylContact C-O 3.53Å; S114-S167 WeakPolarHBondContact CA-O 3.28Å; T115-S167 PolarHBondContact N-O 2.82Å; T115-S167 PolarHBondContact O-N 3.05Å; S167-R188 PolarHBondContact OG-NE 2.93Å; S167-I189 CarbonylContact C-O 3.52Å; S167-I189 WeakPolarHBondContact CA-O 3.44Å
168T88.3Confident76.3Confident32 Ų3261.4 Ų61.420%0.19639%0.385CS..EExtended strand (participates in β ladder)trans-110.4122.1170.3-57.50000110.3T112 I113 S114 R188 I189T112-T168 HydrophobicContact CG2-CG2 3.57Å; I113-T168 CarbonylContact O-C 3.53Å; I113-T168 VanDerWaalsContact O-CA 3.31Å; I113-T168 WeakPolarHBondContact O-CA 3.37Å; S114-T168 PolarHBondContact OG-OG1 2.99Å; S114-T168 VanDerWaalsContact OG-OG1 3.05Å; T168-R188 CarbonylContact O-C 3.43Å; T168-R188 WeakPolarHBondContact O-CA 3.47Å; T168-I189 PolarHBondContact N-O 3Å; T168-I189 PolarHBondContact O-N 2.59Å
169T88.8Confident78.5Confident14 Ų1460.5 Ų60.59%0.08638%0.376CS..EExtended strand (participates in β ladder)trans-122.7128.5-175.6-48.10000111.3T112 I113 I185 K187T112-T169 CarbonylContact C-O 3.52Å; T112-T169 WeakPolarHBondContact CA-O 3.46Å; I113-T169 PolarHBondContact N-O 3.24Å; I113-T169 PolarHBondContact O-N 2.78Å; T169-I185 HydrophobicContact CG2-CB 4.42Å; T169-I185 HydrophobicContact CG2-CD1 4.27Å; T169-I185 HydrophobicContact CG2-CG1 4.13Å; T169-I185 HydrophobicContact CG2-CG2 3.47Å; T169-I185 VanDerWaalsContact CG2-CG2 3.47Å; T169-K187 CarbonylContact C-O 3.54Å; T169-K187 WeakPolarHBondContact CA-O 3.32Å
170T90.6Very high80.6Confident27 Ų2762.8 Ų62.817%0.16637%0.369CS..EExtended strand (participates in β ladder)trans-101.7119.2175.1-57.50000110.4T110 E111 T112 V172 I185 E186 K187T110-T170 HydrophobicContact CG2-CG2 3.54Å; E111-T170 CarbonylContact O-C 3.56Å; E111-T170 WeakPolarHBondContact O-CA 3.37Å; T112-T170 PolarHBondContact OG1-OG1 3.18Å; T170-V172 HydrophobicContact CG2-CG2 4.46Å; T170-I185 WeakPolarHBondContact O-CA 3.04Å; T170-E186 PolarHBondContact O-N 3.19Å; T170-K187 PolarHBondContact N-O 2.77Å
171H93.2Very high83Confident43 Ų4360.7 Ų60.720%0.19936%0.358CS..EExtended strand (participates in β ladder)trans-101.5133.2174.9-62.786.1000109.9T110 E111 T183 R184T110-H171 CarbonylContact C-O 3.54Å; T110-H171 VanDerWaalsContact CA-O 3.32Å; T110-H171 WeakPolarHBondContact CA-O 3.29Å; E111-H171 PolarHBondContact N-O 2.77Å; E111-H171 PolarHBondContact O-N 2.74Å; H171-T183 HydrophobicContact CB-CG2 3.98Å; H171-R184 CarbonylContact C-O 3.53Å; H171-R184 WeakPolarHBondContact CA-O 3.37Å
172V94.1Very high85.1Confident19 Ų1959.2 Ų59.212%0.11534%0.336CS..EExtended strand (participates in β ladder)trans-120.2117.3175178.90000109.1I108 T109 T110 T170 T183 R184 E186I108-V172 HydrophobicContact CG2-CG1 3.74Å; T109-V172 CarbonylContact O-C 3.52Å; T109-V172 WeakPolarHBondContact O-CA 3.42Å; T110-V172 HydrophobicContact CG2-CG2 3.92Å; T170-V172 HydrophobicContact CG2-CG2 4.46Å; V172-T183 CarbonylContact O-C 3.57Å; V172-T183 VanDerWaalsContact O-CA 3.28Å; V172-T183 WeakPolarHBondContact O-CA 3.32Å; V172-R184 PolarHBondContact N-O 2.82Å; V172-R184 PolarHBondContact O-N 3.38Å; V172-E186 HydrophobicContact CB-CG 4.18Å; V172-E186 HydrophobicContact CG2-CG 3.66Å; V172-E186 WeakPolarHBondContact CG2-OE1 2.92Å
173T94Very high87.2Confident22 Ų2255.5 Ų55.514%0.13532%0.323CS..EExtended strand (participates in β ladder)trans-104.6119.8177.4-55.70000109.6I108 T109 E182 T183I108-T173 CarbonylContact C-O 3.58Å; I108-T173 WeakPolarHBondContact CA-O 3.31Å; T109-T173 PolarHBondContact N-O 2.79Å; T109-T173 PolarHBondContact O-N 3.18Å; T109-T173 WeakPolarHBondContact OG1-CB 3.39Å; T173-E182 CarbonylContact C-O 3.48Å; T173-E182 VanDerWaalsContact CA-O 3.29Å; T173-E182 WeakPolarHBondContact CA-O 3.4Å; T173-T183 WeakPolarHBondContact CG2-OG1 3.2Å; T173-T183 WeakPolarHBondContact OG1-CG2 3.38Å; T173-T183 PolarHBondContact OG1-OG1 2.81Å
174K93.8Very high88.9Confident90 Ų9059.7 Ų59.739%0.39133%0.333SS..EExtended strand (participates in β ladder)trans-108.4123176.3-178.9-17671.5-163.10109.2S107 I108 S181 E182S107-K174 CarbonylContact O-C 3.58Å; S107-K174 WeakPolarHBondContact O-CA 3.33Å; I108-K174 HydrophobicContact CG1-CG 4.17Å; K174-S181 CarbonylContact O-C 3.55Å; K174-S181 VanDerWaalsContact O-CA 3.29Å; K174-S181 WeakPolarHBondContact O-CA 3.38Å; K174-E182 PolarHBondContact N-O 2.75Å; K174-E182 PolarHBondContact O-N 3.03Å
175T92Very high90Very high21 Ų2161.8 Ų61.813%0.12934%0.343CS..EExtended strand (participates in β ladder)trans-101.7131173.6-51.20000109.1T104 P106 S107 F180T104-T175 HydrophobicContact CG2-CG2 3.95Å; P106-T175 CarbonylContact C-O 3.54Å; P106-T175 WeakPolarHBondContact CA-O 3.31Å; S107-T175 PolarHBondContact N-O 3.01Å; S107-T175 PolarHBondContact O-N 2.83Å; S107-T175 WeakPolarHBondContact OG-CB 3.18Å; T175-F180 WeakPolarHBondContact CA-O 3.41Å
176V91.3Very high90.7Very high60 Ų6066.9 Ų66.936%0.36436%0.363SS..PPolyproline II helixtrans-102.6166.7174.4-60.70000110.8G178 G179 F180V176-G178 PolarHBondContact O-N 2.79Å; V176-G179 PolarHBondContact O-N 3.32Å; V176-F180 HydrophobicContact CG2-CB 3.95Å; V176-F180 HydrophobicContact CG2-CD1 4.19Å; V176-F180 PolarHBondContact N-O 2.74Å
177K86.3Confident90.9Very high176 Ų17671.4 Ų71.477%0.76538%0.38SS*.THydrogen-bonded Turntrans-56.1127.8175.5-171.3178.7-179.2-178.70109.6
178G84.3Confident91.1Very high75 Ų7578.8 Ų78.877%0.77341%0.406SS*.THydrogen-bonded Turntrans102.73-176.200000114.7V176V176-G178 PolarHBondContact O-N 2.79Å
179G86.4Confident91.2Very high42 Ų4280.4 Ų80.443%0.43341%0.413SS..SBendtrans87.22167.400000115.6V176V176-G179 PolarHBondContact O-N 3.32Å
180F89.1Confident91.2Very high138 Ų13884.3 Ų84.361%0.60543%0.432SS*.  trans-73130.3170.3179.7-94.4000110.3T175 V176 E182T175-F180 WeakPolarHBondContact CA-O 3.41Å; V176-F180 HydrophobicContact CG2-CB 3.95Å; V176-F180 HydrophobicContact CG2-CD1 4.19Å; V176-F180 PolarHBondContact N-O 2.74Å; F180-E182 HydrophobicContact CE1-CB 4.13Å
181S92.3Very high91.1Very high65 Ų6586.8 Ų86.846%0.45544%0.444SS..EExtended strand (participates in β ladder)trans-120.9141.2175.756.20000111.5K174K174-S181 CarbonylContact O-C 3.55Å; K174-S181 VanDerWaalsContact O-CA 3.29Å; K174-S181 WeakPolarHBondContact O-CA 3.38Å
182E93.8Very high90.5Very high65 Ų6589.5 Ų89.530%0.30446%0.463SS..EExtended strand (participates in β ladder)trans-124.3125.4175.8-177.1-174.9175.600109.7T173 K174 F180 R184T173-E182 CarbonylContact C-O 3.48Å; T173-E182 VanDerWaalsContact CA-O 3.29Å; T173-E182 WeakPolarHBondContact CA-O 3.4Å; K174-E182 PolarHBondContact N-O 2.75Å; K174-E182 PolarHBondContact O-N 3.03Å; F180-E182 HydrophobicContact CE1-CB 4.13Å; E182-R184 IonicContact OE1-CZ 3.5Å; E182-R184 IonicContact OE1-NE 3.1Å; E182-R184 PolarHBondContact OE1-NE 3.22Å; E182-R184 IonicContact OE1-NH2 3.36Å; E182-R184 PolarHBondContact OE1-NH2 3.24Å; E182-R184 IonicContact OE2-NH2 2.7Å
183T94.8Very high89.7Confident78 Ų7890.4 Ų90.448%0.47948%0.476SS..EExtended strand (participates in β ladder)trans-106.2128.8176.3-52.30000111.1H171 V172 T173H171-T183 HydrophobicContact CB-CG2 3.98Å; V172-T183 CarbonylContact O-C 3.57Å; V172-T183 VanDerWaalsContact O-CA 3.28Å; V172-T183 WeakPolarHBondContact O-CA 3.32Å; T173-T183 WeakPolarHBondContact CG2-OG1 3.2Å; T173-T183 WeakPolarHBondContact OG1-CG2 3.38Å; T173-T183 PolarHBondContact OG1-OG1 2.81Å
184R93.6Very high88.6Confident150 Ų15095.9 Ų95.957%0.56651%0.505SS*.EExtended strand (participates in β ladder)trans-122.1148.4174.8-65.2-175.4179.2172.2-0.3111.1H171 V172 E182H171-R184 CarbonylContact C-O 3.53Å; H171-R184 WeakPolarHBondContact CA-O 3.37Å; V172-R184 PolarHBondContact N-O 2.82Å; V172-R184 PolarHBondContact O-N 3.38Å; E182-R184 IonicContact OE1-CZ 3.5Å; E182-R184 IonicContact OE1-NE 3.1Å; E182-R184 PolarHBondContact OE1-NE 3.22Å; E182-R184 IonicContact OE1-NH2 3.36Å; E182-R184 PolarHBondContact OE1-NH2 3.24Å; E182-R184 IonicContact OE2-NH2 2.7Å
185I95.1Very high87.1Confident105 Ų10598.3 Ų98.354%0.53852%0.518SS..EExtended strand (participates in β ladder)trans-88.8113.5169.1-63.8168.8000107.6T169 T170T169-I185 HydrophobicContact CG2-CB 4.42Å; T169-I185 HydrophobicContact CG2-CD1 4.27Å; T169-I185 HydrophobicContact CG2-CG1 4.13Å; T169-I185 HydrophobicContact CG2-CG2 3.47Å; T169-I185 VanDerWaalsContact CG2-CG2 3.47Å; T170-I185 WeakPolarHBondContact O-CA 3.04Å
186E91.6Very high85.6Confident141 Ų141104.3 Ų104.366%0.65955%0.549SS*.EExtended strand (participates in β ladder)trans-85.5-46.7179.8-71.2-166.7165.500112.1T170 V172T170-E186 PolarHBondContact O-N 3.19Å; V172-E186 HydrophobicContact CB-CG 4.18Å; V172-E186 HydrophobicContact CG2-CG 3.66Å; V172-E186 WeakPolarHBondContact CG2-OE1 2.92Å
187K89.4Confident83.9Confident125 Ų125111.4 Ų111.454%0.54359%0.592SS.*EExtended strand (participates in β ladder)trans-135.6137.6-178.2-166.9-178.9-175.4-173.70110.5T169 T170 I189T169-K187 CarbonylContact C-O 3.54Å; T169-K187 WeakPolarHBondContact CA-O 3.32Å; T170-K187 PolarHBondContact N-O 2.77Å; K187-I189 HydrophobicContact CD-CD1 4.18Å; K187-I189 HydrophobicContact CD-CG1 4.07Å; K187-I189 HydrophobicContact CG-CG1 4.21Å
188R89.6Confident83.7Confident166 Ų166108.2 Ų108.263%0.62658%0.584SS**EExtended strand (participates in β ladder)trans-128.8114.2167.7-169.8176.8-167.2-179.47.1109.1S167 T168 I190S167-R188 PolarHBondContact OG-NE 2.93Å; T168-R188 CarbonylContact O-C 3.43Å; T168-R188 WeakPolarHBondContact O-CA 3.47Å; R188-I190 HydrophobicContact CG-CG1 4.25Å
189I91.5Very high83.7Confident67 Ų67109.9 Ų109.934%0.34457%0.574SS.*EExtended strand (participates in β ladder)trans-97.7129.8174.6-57.2172.1000106.8S167 T168 K187 I191S167-I189 CarbonylContact C-O 3.52Å; S167-I189 WeakPolarHBondContact CA-O 3.44Å; T168-I189 PolarHBondContact N-O 3Å; T168-I189 PolarHBondContact O-N 2.59Å; K187-I189 HydrophobicContact CD-CD1 4.18Å; K187-I189 HydrophobicContact CD-CG1 4.07Å; K187-I189 HydrophobicContact CG-CG1 4.21Å; I189-I191 HydrophobicContact CG2-CD1 4.46Å; I189-I191 HydrophobicContact CG2-CG1 4.08Å
190I89.5Confident83.6Confident96 Ų96113.7 Ų113.749%0.49258%0.581SS.*EExtended strand (participates in β ladder)trans-122.6128.2174.8-56.8171.9000107S165 T166 R188S165-I190 WeakPolarHBondContact OG-CG2 3.3Å; T166-I190 CarbonylContact O-C 3.51Å; T166-I190 WeakPolarHBondContact O-CA 3.12Å; R188-I190 HydrophobicContact CG-CG1 4.25Å
191I87.2Confident83.2Confident79 Ų79112.3 Ų112.341%0.40558%0.58SS.*EExtended strand (participates in β ladder)trans-120.1112.4-180-55.7174000106.4S165 T166 I189S165-I191 CarbonylContact C-O 3.52Å; S165-I191 VanDerWaalsContact CA-O 3.32Å; S165-I191 WeakPolarHBondContact CA-O 3.42Å; T166-I191 PolarHBondContact N-O 3.43Å; T166-I191 PolarHBondContact O-N 3.09Å; I189-I191 HydrophobicContact CG2-CD1 4.46Å; I189-I191 HydrophobicContact CG2-CG1 4.08Å
192T81.9Confident82.7Confident99 Ų99115.3 Ų115.361%0.60759%0.588SS**  trans-111.6131.3175.8-50.10000108.2
193G77.2Confident81.9Confident38 Ų38118.6 Ų118.639%0.39261%0.607SS.*  trans-85.9139.2169.900000110.4T163T163-G193 WeakPolarHBondContact O-CA 3.03Å; T163-G193 PolarHBondContact O-N 3.46Å
194D69.9Low81Confident138 Ų138121.5 Ų121.574%0.73862%0.616SS**  trans-111.5133.4165.4-167.88.2000107.1
195E62.9Low80Confident140 Ų140119.3 Ų119.365%0.65462%0.62SS**  trans-87.2-8.4-171.5-64.3-169.5135.500112.9V197E195-V197 PolarHBondContact O-N 2.84Å
196D59.8Low78.8Confident147 Ų147120.5 Ų120.579%0.78663%0.627SS**  trans-89.881-173.7-68.6-28.4000112.5
197V54.9Low77.6Confident210 Ų210118.6 Ų118.6100%1.27362%0.624SS**  trans-134.10165.7770000113.6E195E195-V197 PolarHBondContact O-N 2.84Å

Retrieved 197 of 197 residues in 31 ms (Link to these results)