A0A5K4F6C7_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F6C7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 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
1M71.5Confident86.2Confident189 Ų189109.7 Ų109.793%0.93159%0.588SS**  0-64.40-71-83.7-84.800111.3A3 L4 I5M1-A3 PolarHBondContact O-N 2.76Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-I5 PolarHBondContact O-N 3.17Å
2I84.5Confident86.4Confident135 Ų135105.3 Ų105.369%0.69257%0.571SS**Hα-helixtrans-56.8-45.5-176.8-63.6164.5000112.9L4 I5 C6I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 2.85Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3Å; I2-C6 PolarHBondContact O-N 3.37Å; I2-C6 PolarHBondContact O-SG 3.17Å
3A82.4Confident86.5Confident68 Ų68109.9 Ų109.956%0.56258%0.577SS**Hα-helixtrans-60.3-38.4-179.500000113.6M1 C6 I7M1-A3 PolarHBondContact O-N 2.76Å; A3-C6 PolarHBondContact O-N 2.79Å; A3-I7 VanDerWaalsContact O-CG1 3.29Å; A3-I7 WeakPolarHBondContact O-CG1 3.21Å; A3-I7 PolarHBondContact O-N 3.29Å
4L84.6Confident86.1Confident128 Ų128106.2 Ų106.267%0.6757%0.565SS**Hα-helixtrans-68-38.5178.1-68.9174000111.5M1 I2 I7 F8M1-L4 PolarHBondContact O-N 2.93Å; I2-L4 VanDerWaalsContact C-N 3.33Å; I2-L4 PolarHBondContact O-N 2.85Å; L4-I7 PolarHBondContact O-N 3.07Å; L4-F8 WeakPolarHBondContact O-CB 3.29Å; L4-F8 PolarHBondContact O-N 2.83Å
5I88.9Confident85.9Confident100 Ų100106.8 Ų106.851%0.51356%0.563SS.*Hα-helixtrans-62.8-44.6174.9-62.5167000109.8M1 I2 I7 F8 I9M1-I5 PolarHBondContact O-N 3.17Å; I2-I5 WeakPolarHBondContact O-CB 3.48Å; I2-I5 PolarHBondContact O-N 3Å; I5-I7 PolarHBondContact O-N 3.19Å; I5-F8 PolarHBondContact O-N 2.88Å; I5-I9 HydrophobicContact CG2-CD1 4.01Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.24Å
6C88.5Confident85.7Confident64 Ų64111.4 Ų111.443%0.43257%0.57SS.*Hα-helixtrans-61.2-45177.2-64.70000112.3I2 A3 F8 I9 I10I2-C6 PolarHBondContact O-N 3.37Å; I2-C6 PolarHBondContact O-SG 3.17Å; A3-C6 PolarHBondContact O-N 2.79Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 3.46Å; C6-I9 PolarHBondContact O-N 2.78Å; C6-I10 WeakPolarHBondContact O-CG1 3.39Å; C6-I10 PolarHBondContact O-N 2.76Å
7I89.7Confident85.2Confident98 Ų98111.9 Ų111.950%0.50357%0.567SS.*Hα-helixtrans-60.8-45.8177.2-67.5164.7000110.3A3 L4 I5 I9 I10 C11A3-I7 VanDerWaalsContact O-CG1 3.29Å; A3-I7 WeakPolarHBondContact O-CG1 3.21Å; A3-I7 PolarHBondContact O-N 3.29Å; L4-I7 PolarHBondContact O-N 3.07Å; I5-I7 PolarHBondContact O-N 3.19Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 3.3Å; I7-I10 PolarHBondContact O-N 3.05Å; I7-C11 WeakPolarHBondContact O-CB 3.49Å; I7-C11 PolarHBondContact O-N 3.3Å; I7-C11 PolarHBondContact O-SG 3.12Å; I7-C11 VanDerWaalsContact O-SG 3.37Å
8F89.5Confident84.4Confident148 Ų148116.1 Ų116.165%0.64958%0.575SS**Hα-helixtrans-59.6-44.1179.3-165.1-93.9000111.9L4 I5 C6 C11 C12L4-F8 WeakPolarHBondContact O-CB 3.29Å; L4-F8 PolarHBondContact O-N 2.83Å; I5-F8 PolarHBondContact O-N 2.88Å; C6-F8 VanDerWaalsContact C-N 3.35Å; C6-F8 PolarHBondContact O-N 3.46Å; F8-C11 PolarHBondContact O-N 2.82Å; F8-C12 WeakPolarHBondContact CE1-SG 3.45Å; F8-C12 WeakPolarHBondContact O-CB 3.13Å; F8-C12 PolarHBondContact O-N 3.37Å; F8-C12 PolarHBondContact O-SG 3.3Å
9I89.7Confident83.7Confident105 Ų105119.4 Ų119.454%0.53858%0.58SS.*Hα-helixtrans-61.9-45.7177.5-67.8172000111.3I5 C6 I7 C12 Y13I5-I9 HydrophobicContact CG2-CD1 4.01Å; I5-I9 WeakPolarHBondContact O-CG1 3.37Å; I5-I9 PolarHBondContact O-N 3.24Å; C6-I9 PolarHBondContact O-N 2.78Å; I7-I9 VanDerWaalsContact C-N 3.34Å; I7-I9 PolarHBondContact O-N 3.3Å; I9-C12 PolarHBondContact O-N 2.71Å; I9-Y13 WeakPolarHBondContact O-CB 3.1Å; I9-Y13 PolarHBondContact O-N 3.16Å
10I90.3Very high83.2Confident115 Ų115119.2 Ų119.259%0.5958%0.578SS**Hα-helixtrans-63.9-43.3179.3-66.2166.2000110.7C6 I7 Y13 S14C6-I10 WeakPolarHBondContact O-CG1 3.39Å; C6-I10 PolarHBondContact O-N 2.76Å; I7-I10 PolarHBondContact O-N 3.05Å; I10-Y13 PolarHBondContact O-N 3.31Å; I10-S14 PolarHBondContact O-N 3.45Å; I10-S14 PolarHBondContact O-OG 3.13Å
11C88.9Confident82.3Confident57 Ų57117.1 Ų117.139%0.38557%0.57SS.*Hα-helixtrans-60.7-48.7175.3-73.20000111.4I7 F8 Y13 S14 Q15I7-C11 WeakPolarHBondContact O-CB 3.49Å; I7-C11 PolarHBondContact O-N 3.3Å; I7-C11 PolarHBondContact O-SG 3.12Å; I7-C11 VanDerWaalsContact O-SG 3.37Å; F8-C11 PolarHBondContact O-N 2.82Å; C11-Y13 VanDerWaalsContact C-N 3.31Å; C11-Y13 PolarHBondContact O-N 3.36Å; C11-S14 PolarHBondContact O-N 3.32Å; C11-S14 PolarHBondContact O-OG 3.13Å; C11-Q15 WeakPolarHBondContact O-CG 3.48Å; C11-Q15 PolarHBondContact O-N 2.99Å
12C88.2Confident81.9Confident57 Ų57113.9 Ų113.939%0.38556%0.555SS.*Hα-helixtrans-59.5-40.5176.3-73.10000112.3F8 I9 Q15 R16F8-C12 WeakPolarHBondContact CE1-SG 3.45Å; F8-C12 WeakPolarHBondContact O-CB 3.13Å; F8-C12 PolarHBondContact O-N 3.37Å; F8-C12 PolarHBondContact O-SG 3.3Å; I9-C12 PolarHBondContact O-N 2.71Å; C12-Q15 PolarHBondContact O-N 3.17Å; C12-R16 WeakPolarHBondContact O-CB 3.15Å; C12-R16 PolarHBondContact O-N 2.79Å
13Y88.3Confident80.7Confident165 Ų165113.7 Ų113.765%0.64755%0.553SS**Hα-helixtrans-63.8-45.8177.5-175.3-102.1000112I9 I10 C11 Q15 R16 K17I9-Y13 WeakPolarHBondContact O-CB 3.1Å; I9-Y13 PolarHBondContact O-N 3.16Å; I10-Y13 PolarHBondContact O-N 3.31Å; C11-Y13 VanDerWaalsContact C-N 3.31Å; C11-Y13 PolarHBondContact O-N 3.36Å; Y13-Q15 PolarHBondContact O-N 3.48Å; Y13-R16 PolarHBondContact O-N 3.26Å; Y13-K17 PolarHBondContact O-N 3.27Å; Y13-K17 VanDerWaalsContact O-N 3.07Å
14S81.3Confident79.5Confident58 Ų58119.4 Ų119.441%0.40656%0.56SS.*Hα-helixtrans-64-39.7178.769.60000112.7I10 C11 K17 R18I10-S14 PolarHBondContact O-N 3.45Å; I10-S14 PolarHBondContact O-OG 3.13Å; C11-S14 PolarHBondContact O-N 3.32Å; C11-S14 PolarHBondContact O-OG 3.13Å; S14-K17 PolarHBondContact O-N 3.21Å; S14-R18 PolarHBondContact O-N 2.9Å
15Q82.4Confident77.8Confident115 Ų115119.4 Ų119.454%0.53755%0.552SS.*Hα-helixtrans-67-42176.6-70.5-176.618.400112C11 C12 Y13 K17 R18 R19C11-Q15 WeakPolarHBondContact O-CG 3.48Å; C11-Q15 PolarHBondContact O-N 2.99Å; C12-Q15 PolarHBondContact O-N 3.17Å; Y13-Q15 PolarHBondContact O-N 3.48Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 3.22Å; Q15-R18 PolarHBondContact O-N 3.01Å; Q15-R19 PolarHBondContact O-N 2.67Å
16R83.4Confident75.9Confident180 Ų180117.2 Ų117.268%0.67955%0.549SS*.Hα-helixtrans-62-40.9177.2-166.9174.2-175.3175.60.7111.4C12 Y13 R19 Q20C12-R16 WeakPolarHBondContact O-CB 3.15Å; C12-R16 PolarHBondContact O-N 2.79Å; Y13-R16 PolarHBondContact O-N 3.26Å; R16-R19 PolarHBondContact O-N 3.28Å; R16-Q20 WeakPolarHBondContact O-CG 3.14Å; R16-Q20 PolarHBondContact O-N 2.96Å
17K76.4Confident74Confident120 Ų120117.6 Ų117.652%0.52255%0.549SS..Hα-helixtrans-66.5-40.3176.9-164.7171.3-175.9178.30112.3Y13 S14 Q15 Q20 L21Y13-K17 PolarHBondContact O-N 3.27Å; Y13-K17 VanDerWaalsContact O-N 3.07Å; S14-K17 PolarHBondContact O-N 3.21Å; Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 3.22Å; K17-Q20 PolarHBondContact O-N 2.89Å; K17-L21 WeakPolarHBondContact O-CG 3.49Å; K17-L21 PolarHBondContact O-N 3.21Å
18R70.9Confident71.8Confident188 Ų188118.6 Ų118.671%0.70956%0.56SS**Hα-helixtrans-63.4-42173.4-77.3-169.2-179.2-167.91.9112.5S14 Q15 L21 L22S14-R18 PolarHBondContact O-N 2.9Å; Q15-R18 PolarHBondContact O-N 3.01Å; R18-L21 PolarHBondContact O-N 3.17Å; R18-L22 WeakPolarHBondContact O-CB 3.42Å; R18-L22 WeakPolarHBondContact O-CG 3.21Å; R18-L22 PolarHBondContact O-N 2.77Å
19R71.3Confident69.6Low179 Ų179117.1 Ų117.168%0.67556%0.563SS**Hα-helixtrans-63.9-40.3176.1-74.2-175.4177.9-175.50.3112.2Q15 R16 L22 M23Q15-R19 PolarHBondContact O-N 2.67Å; R16-R19 PolarHBondContact O-N 3.28Å; R19-L22 PolarHBondContact O-N 2.94Å; R19-M23 VanDerWaalsContact O-CB 3.27Å; R19-M23 WeakPolarHBondContact O-CB 3.21Å; R19-M23 WeakPolarHBondContact O-CG 3.33Å; R19-M23 PolarHBondContact O-N 2.74Å
20Q73.6Confident67.3Low114 Ų114117.5 Ų117.553%0.53357%0.571SS.*Hα-helixtrans-63.8-40.7174.7-76.6179.2-3.600112.4R16 K17 R24R16-Q20 WeakPolarHBondContact O-CG 3.14Å; R16-Q20 PolarHBondContact O-N 2.96Å; K17-Q20 PolarHBondContact O-N 2.89Å; Q20-R24 WeakPolarHBondContact O-CB 3.4Å; Q20-R24 WeakPolarHBondContact O-CG 3.45Å; Q20-R24 PolarHBondContact O-N 3.42Å
21L64.9Low64.7Low77 Ų77117.9 Ų117.940%0.40357%0.573SS.*Hα-helixtrans-66.9-48.5175.8-73.9168.4000111.1K17 R18 M23 R24 Y25K17-L21 WeakPolarHBondContact O-CG 3.49Å; K17-L21 PolarHBondContact O-N 3.21Å; R18-L21 PolarHBondContact O-N 3.17Å; L21-M23 VanDerWaalsContact C-N 3.34Å; L21-M23 PolarHBondContact O-N 2.54Å; L21-R24 CarbonylContact O-C 3.57Å; L21-R24 PolarHBondContact O-N 2.84Å; L21-R24 VanDerWaalsContact O-N 3.09Å; L21-Y25 HydrophobicContact CB-CD2 4.36Å; L21-Y25 HydrophobicContact CB-CE2 4.23Å; L21-Y25 HydrophobicContact CD2-CE2 4.11Å; L21-Y25 WeakPolarHBondContact O-CD2 3.27Å; L21-Y25 PolarHBondContact O-N 2.76Å
22L61.7Low62.2Low121 Ų121119 Ų11963%0.63459%0.586SS**Hα-helixtrans-60.7-41.2177-79.1167.4000112.2R18 R19 Y25 A26R18-L22 WeakPolarHBondContact O-CB 3.42Å; R18-L22 WeakPolarHBondContact O-CG 3.21Å; R18-L22 PolarHBondContact O-N 2.77Å; R19-L22 PolarHBondContact O-N 2.94Å; L22-Y25 PolarHBondContact O-N 3.27Å; L22-A26 WeakPolarHBondContact O-CB 3Å; L22-A26 PolarHBondContact O-N 3.35Å
23M59.6Low59.6Low130 Ų130122 Ų12264%0.6461%0.605SS**Hα-helixtrans-60.8-48.2171.4-74.1-97-163.900110.2R19 L21 Y25 A26 T27R19-M23 VanDerWaalsContact O-CB 3.27Å; R19-M23 WeakPolarHBondContact O-CB 3.21Å; R19-M23 WeakPolarHBondContact O-CG 3.33Å; R19-M23 PolarHBondContact O-N 2.74Å; L21-M23 VanDerWaalsContact C-N 3.34Å; L21-M23 PolarHBondContact O-N 2.54Å; M23-Y25 VanDerWaalsContact C-N 3.34Å; M23-Y25 PolarHBondContact O-N 2.95Å; M23-A26 PolarHBondContact O-N 3.09Å; M23-T27 WeakPolarHBondContact O-CA 3.45Å; M23-T27 WeakPolarHBondContact O-CB 3.38Å; M23-T27 PolarHBondContact O-N 2.89Å; M23-T27 PolarHBondContact O-OG1 2.6Å
24R56.6Low57.2Low189 Ų189120.1 Ų120.171%0.71361%0.606SS**Hα-helixtrans-58.3-44.4176.1-79-170.2175.2-169.7-1112.2Q20 L21 T28Q20-R24 WeakPolarHBondContact O-CB 3.4Å; Q20-R24 WeakPolarHBondContact O-CG 3.45Å; Q20-R24 PolarHBondContact O-N 3.42Å; L21-R24 CarbonylContact O-C 3.57Å; L21-R24 PolarHBondContact O-N 2.84Å; L21-R24 VanDerWaalsContact O-N 3.09Å; R24-T28 WeakPolarHBondContact O-CB 2.99Å; R24-T28 PolarHBondContact O-N 2.82Å; R24-T28 PolarHBondContact O-OG1 3.26Å
25Y50.5Low54.8Low128 Ų128125.1 Ų125.150%0.50263%0.628SS.*Hα-helixtrans-71.4-36.6178.5-69-68.8000112.6L21 L22 M23 T29 N67L21-Y25 HydrophobicContact CB-CD2 4.36Å; L21-Y25 HydrophobicContact CB-CE2 4.23Å; L21-Y25 HydrophobicContact CD2-CE2 4.11Å; L21-Y25 WeakPolarHBondContact O-CD2 3.27Å; L21-Y25 PolarHBondContact O-N 2.76Å; L22-Y25 PolarHBondContact O-N 3.27Å; M23-Y25 VanDerWaalsContact C-N 3.34Å; M23-Y25 PolarHBondContact O-N 2.95Å; Y25-T29 WeakPolarHBondContact O-CB 3.41Å; Y25-T29 PolarHBondContact O-N 2.71Å; Y25-T29 PolarHBondContact O-OG1 3.38Å; Y25-N67 WeakPolarHBondContact CE1-ND2 3.48Å
26A49.2Very low52.3Low54 Ų54128 Ų12845%0.44664%0.642SS.*Hα-helixtrans-73.1-42.9177.700000112.4L22 M23 T29 T30L22-A26 WeakPolarHBondContact O-CB 3Å; L22-A26 PolarHBondContact O-N 3.35Å; M23-A26 PolarHBondContact O-N 3.09Å; A26-T29 PolarHBondContact O-N 3.23Å; A26-T30 WeakPolarHBondContact O-CB 3.45Å; A26-T30 PolarHBondContact O-N 3.32Å; A26-T30 PolarHBondContact O-OG1 2.91Å
27T46.8Very low49.9Very low71 Ų71125 Ų12544%0.43665%0.645SS.*Hα-helixtrans-70.7-30.8177.5-500000111.5M23 T29 I31M23-T27 WeakPolarHBondContact O-CA 3.45Å; M23-T27 WeakPolarHBondContact O-CB 3.38Å; M23-T27 PolarHBondContact O-N 2.89Å; M23-T27 PolarHBondContact O-OG1 2.6Å; T27-T29 VanDerWaalsContact C-N 3.31Å; T27-I31 HydrophobicContact CG2-CD1 3.56Å; T27-I31 HydrophobicContact CG2-CG1 4.32Å
28T44.1Very low47.8Very low119 Ų119124.8 Ų124.873%0.7366%0.659SS**Hα-helixtrans-79.5-13.4175.1-46.20000112.7R24R24-T28 WeakPolarHBondContact O-CB 2.99Å; R24-T28 PolarHBondContact O-N 2.82Å; R24-T28 PolarHBondContact O-OG1 3.26Å
29T42.5Very low46Very low117 Ų117120.4 Ų120.472%0.71866%0.658SS**Hα-helixtrans-103.6-5.6179.4-400000113.4Y25 A26 T27Y25-T29 WeakPolarHBondContact O-CB 3.41Å; Y25-T29 PolarHBondContact O-N 2.71Å; Y25-T29 PolarHBondContact O-OG1 3.38Å; A26-T29 PolarHBondContact O-N 3.23Å; T27-T29 VanDerWaalsContact C-N 3.31Å
30T41.7Very low44.2Very low113 Ų113118.1 Ų118.169%0.69366%0.659SS**Hα-helixtrans-131.34.7-170.7-330000114.5A26A26-T30 WeakPolarHBondContact O-CB 3.45Å; A26-T30 PolarHBondContact O-N 3.32Å; A26-T30 PolarHBondContact O-OG1 2.91Å
31I36.7Very low42.6Very low123 Ų123119.6 Ų119.663%0.63167%0.67SS**  trans-125.473.8178.5-45.6-174.4000109.4T27T27-I31 HydrophobicContact CG2-CD1 3.56Å; T27-I31 HydrophobicContact CG2-CG1 4.32Å
32A36.4Very low41.3Very low81 Ų81123.4 Ų123.467%0.66969%0.689SS**  trans-70.8130.4157.100000108.2N34A32-N34 PolarHBondContact O-N 3.29Å; A32-N34 VanDerWaalsContact O-N 3.13Å
33P33.5Very low40.1Very low121 Ų121125.2 Ų125.279%0.78669%0.694SS**SBendtrans-8879.8-173.234.7-31000110.1
34N37.2Very low38.9Very low124 Ų124125.6 Ų125.666%0.66370%0.699SS**  trans173.290.5164.643.4-6.9000112.5A32 E36A32-N34 PolarHBondContact O-N 3.29Å; A32-N34 VanDerWaalsContact O-N 3.13Å; N34-E36 PolarHBondContact O-N 3.01Å
35N30.3Very low37.9Very low163 Ų163123.1 Ų123.187%0.87270%0.699SS**  23.487.3128.5-47.5-18.3000117.6
36E31.9Very low37.1Very low175 Ų175122 Ų12282%0.81871%0.71SS**  trans-164.9129.2139.9-125.2174.7127.300110.4N34 S38N34-E36 PolarHBondContact O-N 3.01Å; E36-S38 PolarHBondContact O-N 3Å; E36-S38 VanDerWaalsContact O-N 3.17Å
37P31.4Very low36.4Very low117 Ų117126.3 Ų126.376%0.7673%0.725SS**  trans-75.3103170.830-27.2000107.9S39P37-S39 PolarHBondContact O-N 3.47Å
38S33.9Very low35.8Very low116 Ų116127.6 Ų127.681%0.81174%0.737SS**  trans-69.871.1171-48.80000110.5E36E36-S38 PolarHBondContact O-N 3Å; E36-S38 VanDerWaalsContact O-N 3.17Å
39S31.1Very low35.2Very low97 Ų97129.1 Ų129.168%0.67874%0.741SS**  trans-88.9-0.9179.7-1720000113.8P37P37-S39 PolarHBondContact O-N 3.47Å
40D33.5Very low34.7Very low131 Ų131130.7 Ų130.770%0.70175%0.745SS**SBendtrans-118.74.2-167.2-71.8-20.4000115.8
41L40.6Very low34.4Very low145 Ų145133.2 Ų133.276%0.75975%0.749SS**SBendtrans-83.9-18.9-172.4-157.568.6000114.6
42I38.9Very low34Very low156 Ų156133.4 Ų133.480%0.876%0.76SS**SBendtrans-92.1-12.3-171.3-59.8-177.4000112.6
43Q34.6Very low33.9Very low160 Ų160136.9 Ų136.975%0.74877%0.765SS**G310 helixtrans-90.9-16.1-173.7-150.9144.51900114.7
44N35Very low33.9Very low138 Ų138137.2 Ų137.274%0.73876%0.76SS**G310 helixtrans-86.4-2.1-177.8-92.2-29.3000115.5
45L36.8Very low33.6Very low136 Ų136135.8 Ų135.871%0.71276%0.756SS**G310 helixtrans-84.5-5.6179.7-79.198.7000114.4
46S33.9Very low33.8Very low106 Ų106133.7 Ų133.774%0.74175%0.749SS**SBendtrans-88.8-9.7-176.6-75.30000115.8
47D33.7Very low33.9Very low144 Ų144130.9 Ų130.977%0.7774%0.74SS**SBendtrans-1146.1-166.4-73.9-23.8000116.6
48S34.3Very low34Very low98 Ų98131.2 Ų131.269%0.68574%0.741SS**  trans-125.659.7-176.3-175.20000114.1
49N30.2Very low34.3Very low151 Ų151128.6 Ų128.681%0.80772%0.718SS**  trans-75.1133.9147.9-75.7-29.1000107.7
50N33.3Very low34.3Very low149 Ų149131 Ų13180%0.79772%0.723SS**SBendtrans91.162.1178.2-49.5-28.1000117.1
51H34.7Very low34.4Very low167 Ų167127 Ų12777%0.77370%0.701SS**  -179.2126.5125.8-111.1-70000109.8M53H51-M53 VanDerWaalsContact C-N 3.29Å; H51-M53 HydrophobicContact CB-CG 4.49Å; H51-M53 PolarHBondContact O-N 3.39Å
52S29.2Very low34Very low126 Ų126125.5 Ų125.588%0.88170%0.698SS**  trans-55.193.7159.9139.30000108.6
53M33.1Very low33.8Very low155 Ų155122.3 Ų122.376%0.76469%0.69SS**  trans-113.7130.6167.1-83.1-81.6-131.600107.3H51 V55H51-M53 VanDerWaalsContact C-N 3.29Å; H51-M53 HydrophobicContact CB-CG 4.49Å; H51-M53 PolarHBondContact O-N 3.39Å; M53-V55 HydrophobicContact CB-CG2 4.43Å; M53-V55 WeakPolarHBondContact O-CG2 3.46Å; M53-V55 PolarHBondContact O-N 3.49Å
54N33.4Very low33.8Very low127 Ų127119.7 Ų119.768%0.67968%0.68SS**  trans-65.883.2175.9-157.213.3000108T56N54-T56 PolarHBondContact O-N 3.38Å
55V32.1Very low33.7Very low95 Ų95121.4 Ų121.458%0.57668%0.683SS**  trans-80.990.5-178.5179.10000108.3M53 N57M53-V55 HydrophobicContact CB-CG2 4.43Å; M53-V55 WeakPolarHBondContact O-CG2 3.46Å; M53-V55 PolarHBondContact O-N 3.49Å; V55-N57 HydrophobicContact CG1-CB 3.74Å; V55-N57 WeakPolarHBondContact CG1-ND2 3.46Å; V55-N57 WeakPolarHBondContact CG1-OD1 3.42Å; V55-N57 PolarHBondContact O-N 2.85Å
56T35.1Very low33.6Very low119 Ų119120 Ų12073%0.7367%0.672SS**  trans-73.359.9165.4-410000109.3N54N54-T56 PolarHBondContact O-N 3.38Å
57N33Very low33.4Very low116 Ų116120.4 Ų120.462%0.6267%0.666SS**  trans-80129.5172.2-81.1-6.3000108.8V55 I59V55-N57 HydrophobicContact CG1-CB 3.74Å; V55-N57 WeakPolarHBondContact CG1-ND2 3.46Å; V55-N57 WeakPolarHBondContact CG1-OD1 3.42Å; V55-N57 PolarHBondContact O-N 2.85Å; N57-I59 PolarHBondContact O-N 3.02Å
58P34.5Very low33.1Very low123 Ų123122.2 Ų122.280%0.79966%0.664SS**  trans-61.4113.4175.624.3-31.4000109.1N60P58-N60 PolarHBondContact O-N 3.32Å
59I39.6Very low32.8Very low61 Ų61123 Ų12331%0.31367%0.666SS.*  trans-69.9112.4171.3-60.8173.2000106.7N57 I61 M127N57-I59 PolarHBondContact O-N 3.02Å; I59-I61 HydrophobicContact CG2-CG1 4.23Å; I59-I61 PolarHBondContact O-N 2.96Å; I59-I61 VanDerWaalsContact O-N 3.12Å; I59-M127 HydrophobicContact CD1-CE 3.98Å
60N30.1Very low32.8Very low147 Ų147120.4 Ų120.479%0.78666%0.66SS**  trans-76.997.7175.7-158.811000108.3P58 T62P58-N60 PolarHBondContact O-N 3.32Å; N60-T62 PolarHBondContact O-N 2.66Å
61I35.7Very low32.6Very low49 Ų49123.6 Ų123.625%0.25166%0.663SS.*  trans-79.1101.1177.8-54.6172.7000107.7I59 S63 V125I59-I61 HydrophobicContact CG2-CG1 4.23Å; I59-I61 PolarHBondContact O-N 2.96Å; I59-I61 VanDerWaalsContact O-N 3.12Å; I61-S63 PolarHBondContact O-N 3.3Å; I61-V125 HydrophobicContact CD1-CB 3.72Å; I61-V125 HydrophobicContact CD1-CG2 3.29Å
62T32.7Very low32.5Very low112 Ų112121.3 Ų121.369%0.68765%0.652SS**  trans-69.1112162.141.30000108.5N60 I64N60-T62 PolarHBondContact O-N 2.66Å; T62-I64 PolarHBondContact O-N 3.22Å
63S34.7Very low32.7Very low89 Ų89118.3 Ų118.362%0.62263%0.631SS**  trans-63.9102.1167.752.60000108.1I61 H65I61-S63 PolarHBondContact O-N 3.3Å; S63-H65 VanDerWaalsContact C-N 3.27Å; S63-H65 PolarHBondContact O-N 3.44Å
64I34Very low32.9Very low106 Ų106118.2 Ų118.254%0.54463%0.629SS.*  trans-71.397.7168.4-29.6178.8000104.7T62 Q66 I76T62-I64 PolarHBondContact O-N 3.22Å; I64-Q66 HydrophobicContact CB-CG 4.24Å; I64-Q66 HydrophobicContact CG2-CG 3.83Å; I64-Q66 PolarHBondContact O-N 2.73Å; I64-I76 HydrophobicContact CD1-CD1 3.97Å
65H34.3Very low33.2Very low173 Ų173115 Ų11580%0.80161%0.609SS**  trans-69.665.7176.8-143.6-87.7000108.3S63 N67S63-H65 VanDerWaalsContact C-N 3.27Å; S63-H65 PolarHBondContact O-N 3.44Å; H65-N67 PolarHBondContact O-N 3.12Å
66Q33.7Very low33.4Very low106 Ų106115.1 Ų115.150%0.49561%0.605SS.*  trans-73.4116.8172.4-66.9-171.7-14.200106.5I64 Y68I64-Q66 HydrophobicContact CB-CG 4.24Å; I64-Q66 HydrophobicContact CG2-CG 3.83Å; I64-Q66 PolarHBondContact O-N 2.73Å; Q66-Y68 HydrophobicContact CB-CD2 3.58Å; Q66-Y68 HydrophobicContact CB-CE2 3.72Å; Q66-Y68 HydrophobicContact CG-CE2 4.5Å; Q66-Y68 PolarHBondContact O-N 3.3Å
67N29.9Very low33.4Very low115 Ų115110.3 Ų110.362%0.61558%0.577SS**  trans-67.256.8-175.1-141.613.4000110.9Y25 H65Y25-N67 WeakPolarHBondContact CE1-ND2 3.48Å; H65-N67 PolarHBondContact O-N 3.12Å
68Y27.7Very low33.4Very low183 Ų183111.3 Ų111.372%0.71858%0.577SS**  trans-89.2119.3178.3-81.1-77.3000109.9Q66 S70Q66-Y68 HydrophobicContact CB-CD2 3.58Å; Q66-Y68 HydrophobicContact CB-CE2 3.72Å; Q66-Y68 HydrophobicContact CG-CE2 4.5Å; Q66-Y68 PolarHBondContact O-N 3.3Å; Y68-S70 PolarHBondContact O-N 3.02Å
69P28.4Very low33.4Very low113 Ų113107 Ų10773%0.73455%0.55SS**  trans-70115.617128.4-28.2000108.2
70S30.8Very low33.3Very low98 Ų98110.2 Ų110.269%0.68557%0.573SS**SBendtrans65.2123.7157.4-61.10000118.2Y68Y68-S70 PolarHBondContact O-N 3.02Å
71Y27.8Very low34Very low215 Ų215110 Ų11084%0.84357%0.571SS**SBendtrans6871.9163.9-58-82.3000117.2
72H32.9Very low34Very low120 Ų120113.2 Ų113.256%0.55659%0.588SS**  trans159.394.2138.4-91.4-76.9000108Q74H72-Q74 PolarHBondContact O-N 3.36Å
73S34.1Very low34.2Very low62 Ų62112.5 Ų112.543%0.43459%0.587SS.*  trans-65.397.8168.949.20000108.5F75 F91S73-F75 WeakPolarHBondContact O-CD2 3.44Å; S73-F75 PolarHBondContact O-N 2.89Å; S73-F75 WeakPolarHBondContact OG-CE2 3.34Å; S73-F91 WeakPolarHBondContact O-CE2 3.46Å; S73-F91 WeakPolarHBondContact O-CZ 3.49Å
74Q36.4Very low34.3Very low153 Ų153112.2 Ų112.272%0.71558%0.575SS**  trans-69.6108.8167.5-68.1-179.614.100107.2H72H72-Q74 PolarHBondContact O-N 3.36Å
75F39.4Very low34.4Very low59 Ų59118.2 Ų118.226%0.25959%0.591SS.*  trans-89.4114.1170.5-69.2-80.5000108S73 F91 V120S73-F75 WeakPolarHBondContact O-CD2 3.44Å; S73-F75 PolarHBondContact O-N 2.89Å; S73-F75 WeakPolarHBondContact OG-CE2 3.34Å; F75-F91 AromaticContact CD2-CE1 3.88Å; F75-F91 HydrophobicContact CD2-CE1 3.88Å; F75-F91 AromaticContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CE2-CE1 4.07Å; F75-F91 HydrophobicContact CE2-CZ 4.03Å; F75-V120 HydrophobicContact CE1-CG1 4.3Å
76I37.3Very low34.6Very low98 Ų98114.6 Ų114.650%0.50357%0.573SS.*  trans-85.8111.7169.7-62.7171.4000106.5I64I64-I76 HydrophobicContact CD1-CD1 3.97Å
77C35.1Very low34.7Very low19 Ų19116.7 Ų116.713%0.12859%0.587CS.*  trans-97.5111.5166.8-65.20000107.4F86C77-F86 HydrophobicContact CB-CD2 3.86Å; C77-F86 HydrophobicContact CB-CE2 4.01Å
78E32.4Very low35.2Very low137 Ų137113 Ų11364%0.6457%0.57SS**  trans-99.7113.6173.5-161.1164.4-15400107.5
79S35Very low35.6Very low32 Ų32108.4 Ų108.422%0.22456%0.562CS.*BIsolated β-bridgetrans-97.9133.3172.8173.90000108.2L81 L82S79-L81 PolarHBondContact O-N 3.32Å; S79-L81 PolarHBondContact OG-N 3.37Å; S79-L82 CarbonylContact O-C 3.45Å; S79-L82 PolarHBondContact O-N 3.5Å
80T37.6Very low36Very low129 Ų129108.8 Ų108.879%0.79155%0.554SS**THydrogen-bonded Turntrans-59.4-12.2175.549.20000113.4
81L43.4Very low36.4Very low143 Ų143107 Ų10775%0.74954%0.535SS*.THydrogen-bonded Turntrans-95.5-17-179.1-85139.9000114.4S79S79-L81 PolarHBondContact O-N 3.32Å; S79-L81 PolarHBondContact OG-N 3.37Å
82L37.4Very low36.9Very low116 Ų116103.5 Ų103.561%0.60753%0.526SS*.BIsolated β-bridgetrans-176.1113.7176.7-93.7135.2000108.4S79 K84S79-L82 CarbonylContact O-C 3.45Å; S79-L82 PolarHBondContact O-N 3.5Å; L82-K84 PolarHBondContact O-N 3.06Å
83S35.3Very low37Very low96 Ų96106.6 Ų106.667%0.67154%0.54SS*.  trans-73.669.7175.574.30000110.9
84K38.2Very low37.1Very low84 Ų84108.6 Ų108.637%0.36555%0.546SS..  trans-91.4120.8171.9-74.8-165.8176.8-173.40109.5L82 F86 I113L82-K84 PolarHBondContact O-N 3.06Å; K84-F86 WeakPolarHBondContact O-CD2 3.38Å; K84-F86 PolarHBondContact O-N 3.45Å; K84-I113 HydrophobicContact CD-CD1 4.48Å
85R34.9Very low37.2Very low231 Ų231108.2 Ų108.287%0.87255%0.548SS*.  trans-65.8113.7173.3-70.2-178.5178.8-174.3-0.2108.7L87R85-L87 PolarHBondContact O-N 3.07Å
86F39.5Very low37.3Very low98 Ų98113.6 Ų113.643%0.4358%0.579SS.*  trans-77.5100.6169.3-65.8-84.3000109.1C77 K84 L101C77-F86 HydrophobicContact CB-CD2 3.86Å; C77-F86 HydrophobicContact CB-CE2 4.01Å; K84-F86 WeakPolarHBondContact O-CD2 3.38Å; K84-F86 PolarHBondContact O-N 3.45Å; F86-L101 HydrophobicContact CB-CD2 4.45Å
87L36.3Very low37.2Very low150 Ų150111.9 Ų111.979%0.78559%0.586SS**  trans-88.4101.1163.1-72160.7000106.4R85R85-L87 PolarHBondContact O-N 3.07Å
88S38.6Very low37.3Very low36 Ų36117.3 Ų117.325%0.25260%0.603SS.*  trans-125101.5165.8-167.80000110.3Q90S88-Q90 PolarHBondContact O-N 3.47Å
89P36.8Very low37.6Very low87 Ų87116 Ų11657%0.56559%0.592SS**  trans-87.563.8163.836.1-28000107.8
90Q37.4Very low37.8Very low122 Ų122117.3 Ų117.357%0.5760%0.599SS**  trans-168.973.5170.3-105.6154.990.900110.8S88 H92S88-Q90 PolarHBondContact O-N 3.47Å; Q90-H92 VanDerWaalsContact C-N 3.3Å; Q90-H92 PolarHBondContact O-N 3.04Å
91F39.3Very low38Very low61 Ų61112.4 Ų112.427%0.26857%0.568SS.*  trans-70.792.8161-65.4-80.6000107.6S73 F75S73-F91 WeakPolarHBondContact O-CE2 3.46Å; S73-F91 WeakPolarHBondContact O-CZ 3.49Å; F75-F91 AromaticContact CD2-CE1 3.88Å; F75-F91 HydrophobicContact CD2-CE1 3.88Å; F75-F91 AromaticContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CD2-CZ 3.67Å; F75-F91 HydrophobicContact CE2-CE1 4.07Å; F75-F91 HydrophobicContact CE2-CZ 4.03Å
92H38.1Very low38Very low141 Ų141108.8 Ų108.865%0.65356%0.559SS**  trans-71.7132.7169.7-81.1-159.2000109.4Q90 N94Q90-H92 VanDerWaalsContact C-N 3.3Å; Q90-H92 PolarHBondContact O-N 3.04Å; H92-N94 PolarHBondContact O-N 2.96Å; H92-N94 VanDerWaalsContact O-N 3.12Å
93H35.2Very low38.3Very low185 Ų185107.9 Ų107.986%0.85655%0.551SS**  trans-54.5113.6-176.7-86.5-98.2000111.7
94N36.6Very low38.5Very low104 Ų104109 Ų10956%0.55655%0.55SS*.  53.482.4125-148.47.9000118.3H92 G97H92-N94 PolarHBondContact O-N 2.96Å; H92-N94 VanDerWaalsContact O-N 3.12Å; N94-G97 WeakPolarHBondContact OD1-CA 3.34Å; N94-G97 PolarHBondContact OD1-N 3.28Å
95L37.8Very low38.8Very low145 Ų145109.2 Ų109.276%0.75956%0.555SS**BIsolated β-bridgetrans-90.5107.4148.8-80.8150.3000107.5G97 R98L95-G97 PolarHBondContact O-N 3.38Å; L95-R98 PolarHBondContact O-N 3.37Å
96N40.6Very low39.3Very low171 Ų171104.5 Ų104.591%0.91455%0.547SS*.THydrogen-bonded Turntrans58.235.7172.2-65.8-12.1000117.6R98N96-R98 VanDerWaalsContact C-N 3.3Å; N96-R98 PolarHBondContact O-N 2.88Å
97G36.7Very low39.2Very low62 Ų62105.9 Ų105.964%0.63956%0.559SS**THydrogen-bonded Turntrans84.10.1178.800000114.3N94 L95N94-G97 WeakPolarHBondContact OD1-CA 3.34Å; N94-G97 PolarHBondContact OD1-N 3.28Å; L95-G97 PolarHBondContact O-N 3.38Å
98R35.8Very low38.9Very low133 Ų133106.8 Ų106.850%0.50257%0.565SS.*BIsolated β-bridgetrans-89.2125.8178.7-97.3175.3164.9-175.3-11.2111L95 N96 T119L95-R98 PolarHBondContact O-N 3.37Å; N96-R98 VanDerWaalsContact C-N 3.3Å; N96-R98 PolarHBondContact O-N 2.88Å; R98-T119 HydrophobicContact CB-CG2 4.49Å; R98-T119 HydrophobicContact CG-CG2 3.84Å; R98-T119 VanDerWaalsContact NE-CG2 3.33Å
99R38.3Very low38.5Very low109 Ų109110.3 Ų110.341%0.41158%0.579SS.*  trans-81.5121.8161.1-69.1-175.5-73.5-127.90.5107.8C118R99-C118 VanDerWaalsContact O-O 3.13Å
100V39.1Very low38Very low61 Ų61113.1 Ų113.137%0.3760%0.595SS.*EExtended strand (participates in β ladder)trans-104.9128175.3177.80000107.8V117V100-V117 HydrophobicContact CG1-CG1 3.97Å; V100-V117 HydrophobicContact CG2-CG1 4.06Å
101L43.2Very low37.6Very low25 Ų25108.7 Ų108.713%0.13158%0.578CS.*EExtended strand (participates in β ladder)trans-83.5117.5165.3-73.7106.6000108.8F86 C118 V120F86-L101 HydrophobicContact CB-CD2 4.45Å; L101-C118 HydrophobicContact CB-CB 3.98Å; L101-C118 HydrophobicContact CD1-CB 3.49Å; L101-C118 VanDerWaalsContact CD1-CB 3.49Å; L101-C118 HydrophobicContact CG-CB 4.31Å; L101-V120 HydrophobicContact CD1-CG2 4.45Å
102A42.7Very low37.3Very low67 Ų67114.2 Ų114.255%0.55461%0.61SS**PPolyproline II helixtrans-89.1124.9166.800000109
103H43.6Very low37.1Very low98 Ų98111.5 Ų111.545%0.45460%0.599SS.*PPolyproline II helixtrans-80118.8167.3-165.9-16000107.7D105H103-D105 IonicContact CD2-OD1 3.87Å; H103-D105 IonicContact CD2-OD2 3.92Å; H103-D105 IonicContact CE1-OD1 2.78Å; H103-D105 PolarHBondContact CE1-OD1 3.35Å; H103-D105 IonicContact CG-OD1 3.94Å; H103-D105 IonicContact ND1-OD1 3.3Å; H103-D105 PolarHBondContact ND1-OD1 3.45Å; H103-D105 IonicContact NE2-OD1 3.24Å; H103-D105 PolarHBondContact NE2-OD1 3.17Å; H103-D105 IonicContact NE2-OD2 4Å
104N40.7Very low37.1Very low119 Ų119107.3 Ų107.364%0.63659%0.587SS**  trans-96.292.6171.1-158.820000107.9N106N104-N106 PolarHBondContact O-N 2.82Å
105D44.8Very low37.1Very low88 Ų88110.7 Ų110.747%0.47160%0.599SS.*  trans-77.469.2171-78.1-38.8000109.5H103H103-D105 IonicContact CD2-OD1 3.87Å; H103-D105 IonicContact CD2-OD2 3.92Å; H103-D105 IonicContact CE1-OD1 2.78Å; H103-D105 PolarHBondContact CE1-OD1 3.35Å; H103-D105 IonicContact CG-OD1 3.94Å; H103-D105 IonicContact ND1-OD1 3.3Å; H103-D105 PolarHBondContact ND1-OD1 3.45Å; H103-D105 IonicContact NE2-OD1 3.24Å; H103-D105 PolarHBondContact NE2-OD1 3.17Å; H103-D105 IonicContact NE2-OD2 4Å
106N43.7Very low37.1Very low133 Ų133105.7 Ų105.771%0.71158%0.583SS**  trans-91-7.1168.9-92.41.1000112.5N104N104-N106 PolarHBondContact O-N 2.82Å
107D38.8Very low37Very low127 Ų127100.5 Ų100.568%0.67956%0.557SS**SBendtrans-97.2128.2171.5-71.2-33.3000108.9I109D107-I109 HydrophobicContact CB-CD1 4.41Å; D107-I109 HydrophobicContact CB-CG1 4.38Å; D107-I109 PolarHBondContact O-N 3.3Å
108N29.4Very low37.1Very low169 Ų16998.4 Ų98.490%0.90453%0.532SS*.  trans-66.537.8-174.2-159.413.6000113.9
109I30.6Very low37.1Very low109 Ų10992.4 Ų92.456%0.55951%0.511SS*.  trans-91.9103.1177.8-56.5176000106.4D107 S111D107-I109 HydrophobicContact CB-CD1 4.41Å; D107-I109 HydrophobicContact CB-CG1 4.38Å; D107-I109 PolarHBondContact O-N 3.3Å; I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 2.97Å
110T25.4Very low37Very low146 Ų14688.1 Ų88.190%0.89650%0.497SS*.  trans-47.891.9164.1150000109.5
111S30.2Very low36.7Very low30 Ų3091 Ų9121%0.2151%0.51CS..  trans-127.3109.7173.178.60000108.4I109 I113I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 2.97Å; S111-I113 PolarHBondContact O-N 3.4Å
112N31.3Very low36.4Very low177 Ų177100.9 Ų100.995%0.94755%0.546SS*.  trans-68.452.4173-81.2-8.8000110.5
113I35.4Very low36Very low83 Ų83103.9 Ų103.943%0.42655%0.552SS.*  trans-90.7114175.1-58.4177.5000106K84 S111 Q115K84-I113 HydrophobicContact CD-CD1 4.48Å; S111-I113 PolarHBondContact O-N 3.4Å; I113-Q115 PolarHBondContact O-N 3.41Å
114T34.2Very low35.4Very low98 Ų98106.2 Ų106.260%0.60156%0.564SS**  trans-55.4133.7173.120.10000109.5G116T114-G116 PolarHBondContact O-N 3.35Å
115Q37Very low35.3Very low174 Ų174101.7 Ų101.781%0.81354%0.54SS*.  trans-51.3115.8171.1-74.5179.6-9.300108.7I113I113-Q115 PolarHBondContact O-N 3.41Å
116G38.5Very low35Very low40 Ų40101.5 Ų101.541%0.41254%0.539SS..EExtended strand (participates in β ladder)trans-118.6122.8-18000000109.2T114 C118T114-G116 PolarHBondContact O-N 3.35Å; G116-C118 PolarHBondContact O-N 3.48Å; G116-C118 VanDerWaalsContact O-N 3.13Å
117V38.6Very low34.8Very low63 Ų63100.3 Ų100.338%0.38253%0.53SS..EExtended strand (participates in β ladder)trans-78.699.5170.5-1740000107V100 T119V100-V117 HydrophobicContact CG1-CG1 3.97Å; V100-V117 HydrophobicContact CG2-CG1 4.06Å; V117-T119 HydrophobicContact CG1-CG2 3.88Å; V117-T119 PolarHBondContact O-N 3.02Å
118C37.3Very low34.9Very low17 Ų1797 Ų9712%0.11551%0.513CS..EExtended strand (participates in β ladder)trans-78114175-159.10000108.2R99 L101 G116 V125R99-C118 VanDerWaalsContact O-O 3.13Å; L101-C118 HydrophobicContact CB-CB 3.98Å; L101-C118 HydrophobicContact CD1-CB 3.49Å; L101-C118 VanDerWaalsContact CD1-CB 3.49Å; L101-C118 HydrophobicContact CG-CB 4.31Å; G116-C118 PolarHBondContact O-N 3.48Å; G116-C118 VanDerWaalsContact O-N 3.13Å; C118-V125 WeakPolarHBondContact SG-CG1 3.29Å
119T36.2Very low35.2Very low7 Ų796 Ų964%0.04350%0.503CS..EExtended strand (participates in β ladder)trans-109.9119.9179.746.90000110.2R98 V117 N126R98-T119 HydrophobicContact CB-CG2 4.49Å; R98-T119 HydrophobicContact CG-CG2 3.84Å; R98-T119 VanDerWaalsContact NE-CG2 3.33Å; V117-T119 HydrophobicContact CG1-CG2 3.88Å; V117-T119 PolarHBondContact O-N 3.02Å; T119-N126 PolarHBondContact O-N 3.49Å; T119-N126 PolarHBondContact OG1-O 3.01Å
120V37Very low35.2Very low20 Ų2098.8 Ų98.812%0.12151%0.508CS..EExtended strand (participates in β ladder)trans-89.3103.7176.5-178.10000108.5F75 L101 V125F75-V120 HydrophobicContact CE1-CG1 4.3Å; L101-V120 HydrophobicContact CD1-CG2 4.45Å; V120-V125 HydrophobicContact CG2-CG2 4.2Å
121N33Very low35.4Very low122 Ų12297.4 Ų97.465%0.65250%0.503SS*.EExtended strand (participates in β ladder)trans-108.9106174.2-158.93.1000110N123 Q124N121-N123 PolarHBondContact O-N 3.3Å; N121-Q124 PolarHBondContact N-O 3.26Å; N121-Q124 PolarHBondContact O-N 2.92Å
122R35.7Very low35.3Very low232 Ų23297.8 Ų97.888%0.87551%0.513SS*.THydrogen-bonded Turntrans49.3-29.4174.6-87.2-175.1-178.2178.71.7120.6
123N35.3Very low35Very low129 Ų12995.5 Ų95.569%0.6951%0.507SS*.THydrogen-bonded Turntrans-173.67.7169.9-82.9-27000112.3N121N121-N123 PolarHBondContact O-N 3.3Å
124Q30.7Very low34.6Very low148 Ų14898.3 Ų98.369%0.69253%0.528SS*.EExtended strand (participates in β ladder)trans-123.2132.5-177.8-67.5178.3-7.300109.7N121N121-Q124 PolarHBondContact N-O 3.26Å; N121-Q124 PolarHBondContact O-N 2.92Å
125V38.5Very low33.9Very low23 Ų23101.8 Ų101.814%0.13954%0.539CS..EExtended strand (participates in β ladder)trans-94.9118.41661610000107.1I61 C118 V120 M127I61-V125 HydrophobicContact CD1-CB 3.72Å; I61-V125 HydrophobicContact CD1-CG2 3.29Å; C118-V125 WeakPolarHBondContact SG-CG1 3.29Å; V120-V125 HydrophobicContact CG2-CG2 4.2Å; V125-M127 HydrophobicContact CG1-CG 4.25Å
126N38.1Very low33.5Very low85 Ų85105 Ų10546%0.45556%0.56SS.*EExtended strand (participates in β ladder)trans-103113.5169.8-163.84.4000108.3T119 N128T119-N126 PolarHBondContact O-N 3.49Å; T119-N126 PolarHBondContact OG1-O 3.01Å; N126-N128 PolarHBondContact ND2-OD1 3Å; N126-N128 VanDerWaalsContact ND2-OD1 3.16Å; N126-N128 PolarHBondContact O-N 3.34Å; N126-N128 PolarHBondContact OD1-OD1 3.21Å
127M40.7Very low33.3Very low107 Ų107108.3 Ų108.353%0.52757%0.567SS.*EExtended strand (participates in β ladder)trans-86.490.5169.6-75.6-162.4-81.100107.9I59 V125 Q129I59-M127 HydrophobicContact CD1-CE 3.98Å; V125-M127 HydrophobicContact CG1-CG 4.25Å; M127-Q129 PolarHBondContact O-N 3.07Å
128N39Very low33Very low59 Ų59110.6 Ų110.632%0.31658%0.577SS.*EExtended strand (participates in β ladder)trans-76.2114.3166.2-74.30.3000107.5N126 Y130N126-N128 PolarHBondContact ND2-OD1 3Å; N126-N128 VanDerWaalsContact ND2-OD1 3.16Å; N126-N128 PolarHBondContact O-N 3.34Å; N126-N128 PolarHBondContact OD1-OD1 3.21Å; N128-Y130 VanDerWaalsContact C-N 3.25Å; N128-Y130 HydrophobicContact CB-CD2 4.15Å; N128-Y130 PolarHBondContact O-N 3.32Å
129Q35.8Very low32.8Very low148 Ų148115.8 Ų115.869%0.69260%0.603SS**EExtended strand (participates in β ladder)trans-63.190.7163.3-71.81795.100107.7M127M127-Q129 PolarHBondContact O-N 3.07Å
130Y32.2Very low32.6Very low167 Ų167122.2 Ų122.266%0.65564%0.636SS**  trans-105.595.1168.6-110.1-85.6000108.1N128 G132N128-Y130 VanDerWaalsContact C-N 3.25Å; N128-Y130 HydrophobicContact CB-CD2 4.15Å; N128-Y130 PolarHBondContact O-N 3.32Å; Y130-G132 PolarHBondContact O-N 3.31Å
131S28.2Very low32.3Very low116 Ų116128.6 Ų128.681%0.81167%0.668SS**  trans-80.3103.3160.8-176.90000106.9
132G28.3Very low32.3Very low39 Ų39129.1 Ų129.140%0.40267%0.669SS.*SBendtrans173.8141174.400000113.5Y130 V134Y130-G132 PolarHBondContact O-N 3.31Å; G132-V134 PolarHBondContact O-N 3.33Å
133P24.9Very low32Very low129 Ų129121.7 Ų121.784%0.83865%0.654SS**  trans-72.3125.9176.929.9-31.6000109.7
134V26.6Very low31.8Very low142 Ų142121.2 Ų121.286%0.86165%0.651SS**  trans-102.299.3169.4-175.80000108.5G132G132-V134 PolarHBondContact O-N 3.33Å
135M21Very low31.9Very low170 Ų170118.9 Ų118.984%0.83765%0.648SS**  trans-78.1130.4160-86.9-170-75.100109.4
136I29.2Very low31.3Very low242 Ų242127.6 Ų127.6100%1.24169%0.694SS**  -176.80112.7-78152.6000106.9

Retrieved 136 of 136 residues in 49.4 ms (Link to these results)