A0A3Q0KJP3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB (Q15ET4), UniProt , Accession A0A3Q0KJP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 142 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
1M82.7Confident92.9Very high208 Ų208127.5 Ų127.5100%1.02564%0.635SS**  0148.90-174.353.8160.300109.2
2K88.4Confident93.3Very high92 Ų92134.8 Ų134.840%0.465%0.65SS.*  trans-82.9115.2176.5176.9-147.572.8-161.20109.5N4 V7 S9K2-N4 VanDerWaalsContact CE-O 3.25Å; K2-N4 WeakPolarHBondContact CE-O 3.49Å; K2-V7 HydrophobicContact CD-CB 4.17Å; K2-V7 HydrophobicContact CD-CG1 4.23Å; K2-V7 VanDerWaalsContact CE-O 3.22Å; K2-V7 WeakPolarHBondContact CE-O 3.46Å; K2-V7 PolarHBondContact NZ-O 3.17Å; K2-S9 PolarHBondContact NZ-OG 3Å
3F94.6Very high93.6Very high186 Ų186133.8 Ų133.882%0.81664%0.64SS**  trans-81.6-32.3-175.2-58.7-70.9000114.7K5F3-K5 PolarHBondContact O-N 3.2Å; F3-K5 VanDerWaalsContact O-N 3.15Å
4N93.5Very high93.8Very high88 Ų88128.4 Ų128.447%0.47163%0.628SS.*  trans-71.4111-178-175.1-15000111.7K2 L6 V7K2-N4 VanDerWaalsContact CE-O 3.25Å; K2-N4 WeakPolarHBondContact CE-O 3.49Å; N4-L6 VanDerWaalsContact C-N 3.29Å; N4-L6 PolarHBondContact O-N 2.9Å; N4-L6 WeakPolarHBondContact OD1-CB 3.04Å; N4-L6 PolarHBondContact OD1-N 3.14Å; N4-V7 PolarHBondContact O-N 3.27Å
5K93.8Very high94.1Very high202 Ų202128.5 Ų128.588%0.87862%0.619SS**THydrogen-bonded Turntrans-65.7-25.5-179.3-63.6-178-179.4177.80113.6F3 V7F3-K5 PolarHBondContact O-N 3.2Å; F3-K5 VanDerWaalsContact O-N 3.15Å; K5-V7 VanDerWaalsContact C-N 3.32Å; K5-V7 PolarHBondContact O-N 3.11Å
6L94.6Very high94.3Very high161 Ų161129.6 Ų129.684%0.84362%0.62SS**THydrogen-bonded Turntrans-73.3-22.9-178.3-58.2177.1000113.3N4N4-L6 VanDerWaalsContact C-N 3.29Å; N4-L6 PolarHBondContact O-N 2.9Å; N4-L6 WeakPolarHBondContact OD1-CB 3.04Å; N4-L6 PolarHBondContact OD1-N 3.14Å
7V93.7Very high94.5Very high72 Ų72131.1 Ų131.144%0.43662%0.618SS.*SBendtrans-89.6114.6178.6179.50000109.1K2 N4 K5K2-V7 HydrophobicContact CD-CB 4.17Å; K2-V7 HydrophobicContact CD-CG1 4.23Å; K2-V7 VanDerWaalsContact CE-O 3.22Å; K2-V7 WeakPolarHBondContact CE-O 3.46Å; K2-V7 PolarHBondContact NZ-O 3.17Å; N4-V7 PolarHBondContact O-N 3.27Å; K5-V7 VanDerWaalsContact C-N 3.32Å; K5-V7 PolarHBondContact O-N 3.11Å
8S93.8Very high94.6Very high39 Ų39128.2 Ų128.227%0.27360%0.601SS.*  trans-68.2136.6-178.5-170.60000113.5S10 K13S8-S10 WeakPolarHBondContact OG-CB 3.46Å; S8-S10 PolarHBondContact OG-N 3.09Å; S8-K13 VanDerWaalsContact OG-CD 3.31Å; S8-K13 WeakPolarHBondContact OG-CD 3.48Å
9S94.3Very high94.7Very high106 Ų106126.6 Ų126.674%0.74159%0.592SS**  trans-92.90.9168.339.80000113.5K2 R11K2-S9 PolarHBondContact NZ-OG 3Å; S9-R11 PolarHBondContact O-N 3.38Å
10S96Very high94.8Very high50 Ų50126 Ų12635%0.3559%0.593SS.*  trans-67.7122.3-178.6174.70000111.2S8 R12 K13 A14S8-S10 WeakPolarHBondContact OG-CB 3.46Å; S8-S10 PolarHBondContact OG-N 3.09Å; S10-R12 PolarHBondContact O-N 3.33Å; S10-K13 PolarHBondContact O-N 2.83Å; S10-K13 VanDerWaalsContact O-N 3.14Å; S10-A14 PolarHBondContact O-N 3.4Å
11R96.9Very high94.9Very high199 Ų199120.2 Ų120.275%0.75157%0.567SS**Hα-helixtrans-52.7-41174.6-177.5176.7176.3161.7-1112S9 A14 R15S9-R11 PolarHBondContact O-N 3.38Å; R11-A14 PolarHBondContact O-N 2.95Å; R11-R15 WeakPolarHBondContact O-CB 3.43Å; R11-R15 WeakPolarHBondContact O-CG 3.46Å; R11-R15 PolarHBondContact O-N 3.26Å
12R97.6Very high95.6Very high215 Ų215113.4 Ų113.481%0.81154%0.538SS*.Hα-helixtrans-62-48.5178.4-173.5178.8-180-1710.5111.5S10 K16S10-R12 PolarHBondContact O-N 3.33Å; R12-K16 WeakPolarHBondContact O-CB 3.46Å; R12-K16 PolarHBondContact O-N 3.07Å
13K97.4Very high96Very high122 Ų122112.1 Ų112.153%0.5354%0.541SS..Hα-helixtrans-64.8-42.4179.1-70.5179.6174.11790111.4S8 S10 R17S8-K13 VanDerWaalsContact OG-CD 3.31Å; S8-K13 WeakPolarHBondContact OG-CD 3.48Å; S10-K13 PolarHBondContact O-N 2.83Å; S10-K13 VanDerWaalsContact O-N 3.14Å; K13-R17 VanDerWaalsContact O-CG 3.31Å; K13-R17 WeakPolarHBondContact O-CG 3.43Å; K13-R17 PolarHBondContact O-N 2.99Å; K13-R17 VanDerWaalsContact O-N 3.08Å
14A96.5Very high96.1Very high57 Ų57108.2 Ų108.247%0.47153%0.525SS..Hα-helixtrans-62.7-47.217800000112.5S10 R11 R17 Y18S10-A14 PolarHBondContact O-N 3.4Å; R11-A14 PolarHBondContact O-N 2.95Å; A14-R17 PolarHBondContact O-N 2.96Å; A14-Y18 PolarHBondContact O-N 3.24Å
15R97.4Very high96.3Very high130 Ų130106.6 Ų106.649%0.49152%0.515SS..Hα-helixtrans-63.2-45177.8-71.7175.565.679.5-3.2112.1R11 R17 Y18 F19R11-R15 WeakPolarHBondContact O-CB 3.43Å; R11-R15 WeakPolarHBondContact O-CG 3.46Å; R11-R15 PolarHBondContact O-N 3.26Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.87Å; R15-Y18 PolarHBondContact O-N 3.09Å; R15-F19 HydrophobicContact CB-CD2 4.33Å; R15-F19 HydrophobicContact CB-CE2 4.25Å; R15-F19 WeakPolarHBondContact O-CD2 3.33Å; R15-F19 PolarHBondContact O-N 2.99Å
16K97.7Very high96.4Very high147 Ų14799.2 Ų99.264%0.63948%0.482SS*.Hα-helixtrans-57.7-45.8176.9-173175.3-179.6177.50111.1R12 Y18 N20R12-K16 WeakPolarHBondContact O-CB 3.46Å; R12-K16 PolarHBondContact O-N 3.07Å; K16-Y18 PolarHBondContact O-N 3.07Å; K16-N20 VanDerWaalsContact O-CB 3.27Å; K16-N20 WeakPolarHBondContact O-CB 3.46Å; K16-N20 PolarHBondContact O-N 2.88Å; K16-N20 VanDerWaalsContact O-N 3.08Å
17R96.9Very high96.5Very high155 Ų15597 Ų9759%0.58546%0.463SS*.Hα-helixtrans-62.8-39.6176.8-71.5175.2-169.5-179.1-0.2112.8K13 A14 R15 A21K13-R17 VanDerWaalsContact O-CG 3.31Å; K13-R17 WeakPolarHBondContact O-CG 3.43Å; K13-R17 PolarHBondContact O-N 2.99Å; K13-R17 VanDerWaalsContact O-N 3.08Å; A14-R17 PolarHBondContact O-N 2.96Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R15-R17 PolarHBondContact O-N 2.87Å; R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.26Å
18Y96.7Very high96.6Very high78 Ų78100.7 Ų100.731%0.30647%0.469SS..Hα-helixtrans-67.4-55.5179.5-179.1-95.7000111.8A14 R15 K16 N20 A21 L29 Y78A14-Y18 PolarHBondContact O-N 3.24Å; R15-Y18 PolarHBondContact O-N 3.09Å; K16-Y18 PolarHBondContact O-N 3.07Å; Y18-N20 VanDerWaalsContact C-N 3.35Å; Y18-N20 PolarHBondContact O-N 3.43Å; Y18-A21 WeakPolarHBondContact O-CB 3.46Å; Y18-A21 PolarHBondContact O-N 3.03Å; Y18-L29 HydrophobicContact CD2-CD1 3.87Å; Y18-L29 HydrophobicContact CE2-CD1 4.1Å; Y18-Y78 HydrophobicContact CE1-CD2 4.23Å; Y18-Y78 HydrophobicContact CE1-CE1 4.36Å; Y18-Y78 AromaticContact CE1-CE2 3.99Å; Y18-Y78 HydrophobicContact CE1-CE2 3.99Å; Y18-Y78 HydrophobicContact CE1-CG 4.49Å; Y18-Y78 HydrophobicContact CE2-CD1 4.41Å; Y18-Y78 AromaticContact CE2-CE1 3.94Å; Y18-Y78 HydrophobicContact CE2-CE1 3.94Å; Y18-Y78 AromaticContact CZ-CD1 3.88Å; Y18-Y78 AromaticContact CZ-CE1 3.74Å; Y18-Y78 AromaticContact CZ-CZ 3.88Å; Y18-Y78 PolarHBondContact O-OH 2.98Å; Y18-Y78 WeakPolarHBondContact OH-CD1 3.3Å
19F96.5Very high96.7Very high98 Ų98102.6 Ų102.643%0.4348%0.475SS..Hα-helixtrans-69.1-34.2-174.9-65.9-63.8000112.5R15 R26R15-F19 HydrophobicContact CB-CD2 4.33Å; R15-F19 HydrophobicContact CB-CE2 4.25Å; R15-F19 WeakPolarHBondContact O-CD2 3.33Å; R15-F19 PolarHBondContact O-N 2.99Å; F19-R26 PolarHBondContact O-NH2 3.34Å
20N97.1Very high96.9Very high115 Ų11597.7 Ų97.762%0.61544%0.441SS*.THydrogen-bonded Turntrans-93.513.3179.8-59.7-13.4000113.8K16 Y18K16-N20 VanDerWaalsContact O-CB 3.27Å; K16-N20 WeakPolarHBondContact O-CB 3.46Å; K16-N20 PolarHBondContact O-N 2.88Å; K16-N20 VanDerWaalsContact O-N 3.08Å; Y18-N20 VanDerWaalsContact C-N 3.35Å; Y18-N20 PolarHBondContact O-N 3.43Å
21A96.4Very high96.9Very high5 Ų596.7 Ų96.74%0.04143%0.434CS..  trans-61135.8179.600000111.9R17 Y18 I25 R26 L29R17-A21 WeakPolarHBondContact O-CB 3.47Å; R17-A21 PolarHBondContact O-N 3.26Å; Y18-A21 WeakPolarHBondContact O-CB 3.46Å; Y18-A21 PolarHBondContact O-N 3.03Å; A21-I25 HydrophobicContact CB-CB 4.12Å; A21-I25 HydrophobicContact CB-CG2 3.91Å; A21-R26 HydrophobicContact CB-CG 3.91Å; A21-R26 WeakPolarHBondContact O-CG 3.4Å; A21-R26 VanDerWaalsContact O-CZ 3.31Å; A21-R26 PolarHBondContact O-NE 3.06Å; A21-L29 HydrophobicContact CB-CD1 4.08Å
22P97.9Very high96.9Very high64 Ų6487.2 Ų87.242%0.41640%0.398SS..  trans-68.9161.9171.527.8-34.3000112H24 I25 R26P22-H24 VanDerWaalsContact C-N 3.33Å; P22-H24 PolarHBondContact O-N 3.22Å; P22-H24 VanDerWaalsContact O-N 3.16Å; P22-I25 HydrophobicContact CG-CB 4.28Å; P22-I25 HydrophobicContact CG-CD1 3.79Å; P22-I25 HydrophobicContact CG-CG1 3.84Å; P22-I25 WeakPolarHBondContact O-CA 3.36Å; P22-I25 WeakPolarHBondContact O-CB 3.45Å; P22-I25 PolarHBondContact O-N 3.49Å; P22-R26 WeakPolarHBondContact O-CG 3.48Å; P22-R26 PolarHBondContact O-N 2.87Å
23S96.9Very high96.9Very high66 Ų6678.6 Ų78.646%0.46237%0.37SS..Hα-helixtrans-54.8-39.7-168.7-175.70000114.8I25 R26 R27 R75S23-I25 VanDerWaalsContact C-N 3.33Å; S23-I25 PolarHBondContact O-N 3.25Å; S23-R26 PolarHBondContact O-N 3.24Å; S23-R27 PolarHBondContact O-N 3.37Å; S23-R75 PolarHBondContact OG-NH1 3.26Å
24H96.8Very high96.9Very high103 Ų10372.8 Ų72.848%0.47735%0.345SS..Hα-helixtrans-70.9-28.3179.269-92000112.6P22 R27P22-H24 VanDerWaalsContact C-N 3.33Å; P22-H24 PolarHBondContact O-N 3.22Å; P22-H24 VanDerWaalsContact O-N 3.16Å; H24-R27 WeakPolarHBondContact O-CB 2.91Å
25I96.9Very high96.9Very high54 Ų5470.5 Ų70.528%0.27733%0.325SS..Hα-helixtrans-75.1-43.9171-59.4-170.3000109.7A21 P22 S23 R27 R28 L29A21-I25 HydrophobicContact CB-CB 4.12Å; A21-I25 HydrophobicContact CB-CG2 3.91Å; P22-I25 HydrophobicContact CG-CB 4.28Å; P22-I25 HydrophobicContact CG-CD1 3.79Å; P22-I25 HydrophobicContact CG-CG1 3.84Å; P22-I25 WeakPolarHBondContact O-CA 3.36Å; P22-I25 WeakPolarHBondContact O-CB 3.45Å; P22-I25 PolarHBondContact O-N 3.49Å; S23-I25 VanDerWaalsContact C-N 3.33Å; S23-I25 PolarHBondContact O-N 3.25Å; I25-R27 PolarHBondContact O-N 2.84Å; I25-R28 WeakPolarHBondContact O-CA 3.46Å; I25-R28 WeakPolarHBondContact O-CB 3.27Å; I25-R28 PolarHBondContact O-N 3.16Å; I25-L29 HydrophobicContact CG2-CD1 4.05Å; I25-L29 HydrophobicContact CG2-CG 4.26Å; I25-L29 WeakPolarHBondContact O-CG 3.44Å; I25-L29 PolarHBondContact O-N 3.27Å
26R97.2Very high96.8Very high48 Ų4873 Ų7318%0.18134%0.339CS..Hα-helixtrans-55.4-38.9173.9-61.7-160.2178148-6.5112.1F19 A21 P22 S23 R28 L29 M30 R75 Y78F19-R26 PolarHBondContact O-NH2 3.34Å; A21-R26 HydrophobicContact CB-CG 3.91Å; A21-R26 WeakPolarHBondContact O-CG 3.4Å; A21-R26 VanDerWaalsContact O-CZ 3.31Å; A21-R26 PolarHBondContact O-NE 3.06Å; P22-R26 WeakPolarHBondContact O-CG 3.48Å; P22-R26 PolarHBondContact O-N 2.87Å; S23-R26 PolarHBondContact O-N 3.24Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 3.37Å; R26-L29 PolarHBondContact O-N 3.5Å; R26-M30 WeakPolarHBondContact O-CB 3.43Å; R26-M30 VanDerWaalsContact O-CG 3.3Å; R26-M30 WeakPolarHBondContact O-CG 3.43Å; R26-M30 PolarHBondContact O-N 2.98Å; R26-R75 HydrophobicContact CB-CB 4.27Å; R26-R75 WeakPolarHBondContact CD-O 3.41Å; R26-Y78 HydrophobicContact CB-CE1 4.34Å; R26-Y78 HydrophobicContact CG-CE1 4.21Å; R26-Y78 WeakPolarHBondContact CG-OH 3.47Å
27R96.7Very high96.7Very high115 Ų11573.2 Ų73.243%0.43434%0.343SS..Hα-helixtrans-54.4-45.4172.3-175.4-171.474.7-156.32.3112.2S23 H24 I25 P48S23-R27 PolarHBondContact O-N 3.37Å; H24-R27 WeakPolarHBondContact O-CB 2.91Å; I25-R27 PolarHBondContact O-N 2.84Å; R27-P48 HydrophobicContact CG-CB 4.14Å
28R96Very high96.7Very high149 Ų14966.8 Ų66.856%0.56232%0.32SS*.Hα-helixtrans-69.7-42.4179.2-68.2-172.3-73.2176.1-3.8111.6I25 R26 M30 S31I25-R28 WeakPolarHBondContact O-CA 3.46Å; I25-R28 WeakPolarHBondContact O-CB 3.27Å; I25-R28 PolarHBondContact O-N 3.16Å; R26-R28 VanDerWaalsContact C-N 3.31Å; R26-R28 PolarHBondContact O-N 3.37Å; R28-M30 VanDerWaalsContact C-N 3.3Å; R28-M30 PolarHBondContact O-N 2.92Å; R28-S31 PolarHBondContact O-OG 3Å
29L96.1Very high96.6Very high78 Ų7867.6 Ų67.641%0.40832%0.322SS..Hα-helixtrans-62.3-38177.2-66.3173000111.8Y18 A21 I25 R26 S31 Y78Y18-L29 HydrophobicContact CD2-CD1 3.87Å; Y18-L29 HydrophobicContact CE2-CD1 4.1Å; A21-L29 HydrophobicContact CB-CD1 4.08Å; I25-L29 HydrophobicContact CG2-CD1 4.05Å; I25-L29 HydrophobicContact CG2-CG 4.26Å; I25-L29 WeakPolarHBondContact O-CG 3.44Å; I25-L29 PolarHBondContact O-N 3.27Å; R26-L29 PolarHBondContact O-N 3.5Å; L29-S31 PolarHBondContact O-N 3.22Å; L29-Y78 HydrophobicContact CB-CE1 4.22Å; L29-Y78 HydrophobicContact CD1-CE1 4.17Å
30M97Very high96.5Very high3 Ų367.4 Ų67.42%0.01533%0.333CS..SBendtrans-8256.3175.9-65.7-175.273.500112.3R26 R28 I49 V73 R75 Y78 I80 P101R26-M30 WeakPolarHBondContact O-CB 3.43Å; R26-M30 VanDerWaalsContact O-CG 3.3Å; R26-M30 WeakPolarHBondContact O-CG 3.43Å; R26-M30 PolarHBondContact O-N 2.98Å; R28-M30 VanDerWaalsContact C-N 3.3Å; R28-M30 PolarHBondContact O-N 2.92Å; M30-I49 PolarHBondContact O-N 2.93Å; M30-V73 HydrophobicContact CE-CG1 3.91Å; M30-V73 HydrophobicContact SD-CG1 4.38Å; M30-R75 HydrophobicContact SD-CB 4.22Å; M30-R75 HydrophobicContact SD-CG 4.02Å; M30-Y78 VanDerWaalsContact CE-C 3.49Å; M30-Y78 HydrophobicContact CG-CD1 3.83Å; M30-Y78 HydrophobicContact CG-CE1 4.38Å; M30-Y78 HydrophobicContact SD-CD1 4.22Å; M30-I80 HydrophobicContact CE-CG2 3.96Å; M30-P101 HydrophobicContact CB-CG 3.88Å; M30-P101 HydrophobicContact CE-CG 4.07Å; M30-P101 HydrophobicContact CG-CG 4.05Å
31S97Very high96.4Very high30 Ų3069.1 Ų69.121%0.2134%0.335CS..EExtended strand (participates in β ladder)trans-96.7140.7172.2-63.80000111.3R28 L29 M47R28-S31 PolarHBondContact O-OG 3Å; L29-S31 PolarHBondContact O-N 3.22Å; S31-M47 CarbonylContact C-O 3.59Å; S31-M47 WeakPolarHBondContact CA-O 3.27Å
32A96.9Very high96.3Very high0 Ų071.3 Ų71.30%034%0.343CS..EExtended strand (participates in β ladder)trans-107.3150.9170.200000111.7S46 M47 I49 P101 I106A32-S46 CarbonylContact O-C 3.56Å; A32-S46 VanDerWaalsContact O-CA 3.23Å; A32-S46 WeakPolarHBondContact O-CA 3.23Å; A32-S46 VanDerWaalsContact O-CB 3.27Å; A32-S46 WeakPolarHBondContact O-CB 3.43Å; A32-M47 PolarHBondContact N-O 2.85Å; A32-M47 PolarHBondContact O-N 2.7Å; A32-I49 HydrophobicContact CB-CD1 3.33Å; A32-I49 HydrophobicContact CB-CG1 3.54Å; A32-P101 WeakPolarHBondContact CB-O 3.41Å; A32-I106 HydrophobicContact CB-CD1 3.95Å; A32-I106 HydrophobicContact CB-CG1 3.81Å
33P97.3Very high96Very high34 Ų3473.1 Ų73.122%0.22134%0.344CS..EExtended strand (participates in β ladder)trans-60.8143.4166.125.3-34000112.2V104 V105 I106P33-V104 VanDerWaalsContact CD-O 3.25Å; P33-V104 WeakPolarHBondContact CD-O 3.49Å; P33-V104 WeakPolarHBondContact CG-O 3.26Å; P33-V105 HydrophobicContact CB-CG2 4.5Å; P33-V105 HydrophobicContact CG-CG2 3.88Å; P33-V105 WeakPolarHBondContact O-CA 3.3Å; P33-I106 PolarHBondContact O-N 2.75Å
34L97Very high95.9Very high0 Ų070.3 Ų70.30%032%0.324CS..BIsolated β-bridgetrans-80.5154.5168.1-60.2-174.2000110.6L38 R39 V44 R45 M47 I106 L109L34-L38 HydrophobicContact CB-CB 3.9Å; L34-L38 HydrophobicContact CD1-CB 4.28Å; L34-L38 HydrophobicContact CD2-CD1 4.19Å; L34-R39 HydrophobicContact CB-CG 3.89Å; L34-R39 VanDerWaalsContact O-CZ 3.3Å; L34-R39 PolarHBondContact O-NE 2.97Å; L34-R39 PolarHBondContact O-NH2 3.2Å; L34-V44 HydrophobicContact CD1-CB 4.34Å; L34-R45 PolarHBondContact N-O 2.81Å; L34-R45 VanDerWaalsContact N-O 3.1Å; L34-M47 HydrophobicContact CD1-CG 4.07Å; L34-M47 HydrophobicContact CD2-CB 3.97Å; L34-M47 HydrophobicContact CD2-CG 3.92Å; L34-M47 HydrophobicContact CG-CG 4.26Å; L34-I106 HydrophobicContact CD2-CB 3.93Å; L34-I106 HydrophobicContact CD2-CD1 3.96Å; L34-I106 HydrophobicContact CD2-CG1 4.42Å; L34-I106 HydrophobicContact CD2-CG2 4.35Å; L34-L109 HydrophobicContact CD2-CD1 4.21Å; L34-L109 HydrophobicContact CD2-CD2 3.87Å; L34-L109 HydrophobicContact CD2-CG 4.35Å
35S96.4Very high95.8Very high9 Ų974.7 Ų74.76%0.06334%0.337CS..PPolyproline II helixtrans-61.5162.3169.272.30000111.3E37 L38 R39 I106 H107S35-E37 VanDerWaalsContact C-N 3.3Å; S35-E37 PolarHBondContact O-N 3.03Å; S35-L38 PolarHBondContact O-N 3.08Å; S35-L38 WeakPolarHBondContact OG-CG 3.34Å; S35-L38 PolarHBondContact OG-N 3Å; S35-R39 VanDerWaalsContact O-CG 3.27Å; S35-R39 WeakPolarHBondContact O-CG 3.4Å; S35-R39 PolarHBondContact O-N 2.92Å; S35-I106 WeakPolarHBondContact CB-O 3.29Å; S35-I106 PolarHBondContact N-O 2.88Å; S35-H107 WeakPolarHBondContact CB-ND1 3.46Å
36K95.8Very high95.7Very high181 Ų18174.2 Ų74.279%0.78734%0.338SS*.Hα-helixtrans-57.8-44.2-178.7-69.6-177.5179.8179.10111.4L38 R39 S40K36-L38 PolarHBondContact O-N 3.26Å; K36-R39 WeakPolarHBondContact O-CB 3.47Å; K36-R39 PolarHBondContact O-N 3.21Å; K36-S40 PolarHBondContact O-N 3Å; K36-S40 PolarHBondContact O-OG 3.15Å
37E95.7Very high95.7Very high152 Ų15271.9 Ų71.971%0.7133%0.329SS*.Hα-helixtrans-58.7-48.8176.7-65.2167.9-159.300112.2S35 R39 S40 K41S35-E37 VanDerWaalsContact C-N 3.3Å; S35-E37 PolarHBondContact O-N 3.03Å; E37-R39 VanDerWaalsContact C-N 3.31Å; E37-R39 PolarHBondContact O-N 2.79Å; E37-S40 PolarHBondContact O-N 3.03Å; E37-K41 WeakPolarHBondContact O-CB 3.48Å; E37-K41 PolarHBondContact O-N 3.32Å
38L96Very high95.7Very high20 Ų2067 Ų6711%0.10531%0.313CS..Hα-helixtrans-65.7-33.6178.2-71.4-165.7000112.7L34 S35 K36 Y42 I106 H107 L109L34-L38 HydrophobicContact CB-CB 3.9Å; L34-L38 HydrophobicContact CD1-CB 4.28Å; L34-L38 HydrophobicContact CD2-CD1 4.19Å; S35-L38 PolarHBondContact O-N 3.08Å; S35-L38 WeakPolarHBondContact OG-CG 3.34Å; S35-L38 PolarHBondContact OG-N 3Å; K36-L38 PolarHBondContact O-N 3.26Å; L38-Y42 HydrophobicContact CD2-CD2 4.39Å; L38-Y42 HydrophobicContact CD2-CE2 3.97Å; L38-Y42 WeakPolarHBondContact O-CD2 3.31Å; L38-Y42 PolarHBondContact O-N 3.45Å; L38-I106 HydrophobicContact CD1-CG2 4.25Å; L38-H107 VanDerWaalsContact CD1-O 3.27Å; L38-H107 WeakPolarHBondContact CD1-O 3.47Å; L38-H107 WeakPolarHBondContact CG-O 3.45Å; L38-L109 HydrophobicContact CD1-CD1 4.08Å; L38-L109 HydrophobicContact CD1-CG 3.89Å
39R95.6Very high95.7Very high95 Ų9560.3 Ų60.336%0.35829%0.288SS..Hα-helixtrans-66.3-41.4174.6-71.7178.9-165.7178.611.1111.6L34 S35 K36 E37 K43 V44L34-R39 HydrophobicContact CB-CG 3.89Å; L34-R39 VanDerWaalsContact O-CZ 3.3Å; L34-R39 PolarHBondContact O-NE 2.97Å; L34-R39 PolarHBondContact O-NH2 3.2Å; S35-R39 VanDerWaalsContact O-CG 3.27Å; S35-R39 WeakPolarHBondContact O-CG 3.4Å; S35-R39 PolarHBondContact O-N 2.92Å; K36-R39 WeakPolarHBondContact O-CB 3.47Å; K36-R39 PolarHBondContact O-N 3.21Å; E37-R39 VanDerWaalsContact C-N 3.31Å; E37-R39 PolarHBondContact O-N 2.79Å; R39-K43 WeakPolarHBondContact O-CA 3.27Å; R39-K43 PolarHBondContact O-N 3.11Å; R39-V44 WeakPolarHBondContact CG-O 3.4Å
40S93.8Very high95.6Very high94 Ų9461.7 Ų61.766%0.65729%0.288SS*.Hα-helixtrans-65.6-46.1176.4-60.80000110.6K36 E37K36-S40 PolarHBondContact O-N 3Å; K36-S40 PolarHBondContact O-OG 3.15Å; E37-S40 PolarHBondContact O-N 3.03Å
41K94.9Very high95.6Very high151 Ų15168.3 Ų68.366%0.65732%0.316SS*.Hα-helixtrans-62.3-52-179.3-177.9170.1-177.9165.20113.6E37E37-K41 WeakPolarHBondContact O-CB 3.48Å; E37-K41 PolarHBondContact O-N 3.32Å
42Y94.1Very high95.5Very high51 Ų5168.3 Ų68.320%0.232%0.321CS..Hα-helixtrans-97-5.3-174.6-63.4-66.4000113.7L38 V44 L109 L111 L119 A123L38-Y42 HydrophobicContact CD2-CD2 4.39Å; L38-Y42 HydrophobicContact CD2-CE2 3.97Å; L38-Y42 WeakPolarHBondContact O-CD2 3.31Å; L38-Y42 PolarHBondContact O-N 3.45Å; Y42-V44 WeakPolarHBondContact O-CG2 3.44Å; Y42-V44 PolarHBondContact O-N 2.92Å; Y42-L109 HydrophobicContact CD2-CD1 3.97Å; Y42-L109 HydrophobicContact CE2-CD1 3.77Å; Y42-L111 WeakPolarHBondContact OH-CD1 3.49Å; Y42-L119 HydrophobicContact CD1-CD1 3.95Å; Y42-L119 HydrophobicContact CE1-CD1 4.05Å; Y42-L119 HydrophobicContact CG-CD1 4.2Å; Y42-L119 HydrophobicContact CG-CD2 4.22Å; Y42-A123 WeakPolarHBondContact O-CB 3.31Å
43K92.9Very high95.5Very high102 Ų10268.3 Ų68.344%0.44332%0.321SS..  trans58.78.4-173.6-57.6-177.2-178.6179.30114.7R39 K126 L127R39-K43 WeakPolarHBondContact O-CA 3.27Å; R39-K43 PolarHBondContact O-N 3.11Å; K43-K126 WeakPolarHBondContact O-CD 3.41Å; K43-K126 PolarHBondContact O-NZ 3.22Å; K43-L127 HydrophobicContact CD-CD1 4.5Å; K43-L127 HydrophobicContact CD-CD2 3.99Å; K43-L127 HydrophobicContact CD-CG 4.48Å
44V94.2Very high95.4Very high7 Ų768.8 Ų68.84%0.04232%0.32CS..  trans-100141.6-178.7176.20000112.1L34 R39 Y42 S46 M47 L119 K122 A123L34-V44 HydrophobicContact CD1-CB 4.34Å; R39-V44 WeakPolarHBondContact CG-O 3.4Å; Y42-V44 WeakPolarHBondContact O-CG2 3.44Å; Y42-V44 PolarHBondContact O-N 2.92Å; V44-S46 VanDerWaalsContact CG1-O 3.31Å; V44-S46 WeakPolarHBondContact CG1-O 3.28Å; V44-M47 HydrophobicContact CG1-CG 4.4Å; V44-M47 HydrophobicContact CG1-SD 4.19Å; V44-L119 HydrophobicContact CB-CD2 4.37Å; V44-L119 HydrophobicContact CG2-CD2 4.24Å; V44-K122 HydrophobicContact CG1-CB 4.22Å; V44-K122 HydrophobicContact CG1-CD 3.74Å; V44-K122 HydrophobicContact CG2-CB 3.54Å; V44-K122 HydrophobicContact CG2-CD 4.47Å; V44-A123 HydrophobicContact CG2-CB 4.37Å
45R94.1Very high95.4Very high195 Ų19568.8 Ų68.874%0.73632%0.32SS*.SBendtrans-78.6-41.3179.6-173.9174.2180167.90.4114.2L34L34-R45 PolarHBondContact N-O 2.81Å; L34-R45 VanDerWaalsContact N-O 3.1Å
46S96Very high95.4Very high44 Ų4470.3 Ų70.331%0.30833%0.327SS..EExtended strand (participates in β ladder)trans-148151.4-172.762.40000113.1A32 V44 K122A32-S46 CarbonylContact O-C 3.56Å; A32-S46 VanDerWaalsContact O-CA 3.23Å; A32-S46 WeakPolarHBondContact O-CA 3.23Å; A32-S46 VanDerWaalsContact O-CB 3.27Å; A32-S46 WeakPolarHBondContact O-CB 3.43Å; V44-S46 VanDerWaalsContact CG1-O 3.31Å; V44-S46 WeakPolarHBondContact CG1-O 3.28Å; S46-K122 PolarHBondContact O-NZ 3.08Å
47M95.7Very high95.3Very high0 Ų062.2 Ų62.20%029%0.291CS..EExtended strand (participates in β ladder)trans-133.8143.6178.8-74.6-62.8-77.100112.1S31 A32 L34 V44 I49 I106 L109 R115 L118 L119 K122S31-M47 CarbonylContact C-O 3.59Å; S31-M47 WeakPolarHBondContact CA-O 3.27Å; A32-M47 PolarHBondContact N-O 2.85Å; A32-M47 PolarHBondContact O-N 2.7Å; L34-M47 HydrophobicContact CD1-CG 4.07Å; L34-M47 HydrophobicContact CD2-CB 3.97Å; L34-M47 HydrophobicContact CD2-CG 3.92Å; L34-M47 HydrophobicContact CG-CG 4.26Å; V44-M47 HydrophobicContact CG1-CG 4.4Å; V44-M47 HydrophobicContact CG1-SD 4.19Å; M47-I49 PolarHBondContact O-N 2.92Å; M47-I106 HydrophobicContact CB-CD1 4.23Å; M47-L109 HydrophobicContact CB-CD2 4.37Å; M47-R115 HydrophobicContact CE-CG 3.9Å; M47-L118 HydrophobicContact CE-CD2 3.79Å; M47-L118 HydrophobicContact CE-CG 4.11Å; M47-L119 HydrophobicContact CE-CD2 3.64Å; M47-L119 HydrophobicContact CE-CG 3.74Å; M47-L119 HydrophobicContact CG-CD2 3.81Å; M47-L119 HydrophobicContact SD-CD2 3.53Å; M47-L119 VanDerWaalsContact SD-CD2 3.53Å; M47-L119 HydrophobicContact SD-CG 4.25Å; M47-K122 HydrophobicContact SD-CD 3.97Å
48P96.9Very high95.3Very high13 Ų1357.6 Ų57.68%0.08427%0.274CS..EExtended strand (participates in β ladder)trans-56.5126.7167.4-26.236.4000111.2R27 R115R27-P48 HydrophobicContact CG-CB 4.14Å; P48-R115 PolarHBondContact O-NH1 3.16Å; P48-R115 PolarHBondContact O-NH2 3.24Å
49I96.5Very high95.2Very high7 Ų764.7 Ų64.74%0.03630%0.299CS..  trans-68.8140.4-179.3-69170.4000110.6M30 A32 M47 V70 V73 I80 P101 I106M30-I49 PolarHBondContact O-N 2.93Å; A32-I49 HydrophobicContact CB-CD1 3.33Å; A32-I49 HydrophobicContact CB-CG1 3.54Å; M47-I49 PolarHBondContact O-N 2.92Å; I49-V70 HydrophobicContact CG2-CG1 4.15Å; I49-V70 HydrophobicContact CG2-CG2 4.01Å; I49-V73 HydrophobicContact CG2-CG2 4Å; I49-I80 HydrophobicContact CD1-CD1 3.87Å; I49-I80 HydrophobicContact CD1-CG2 4.34Å; I49-I80 HydrophobicContact CG2-CG2 4.14Å; I49-P101 HydrophobicContact CD1-CB 3.28Å; I49-P101 HydrophobicContact CG1-CB 4.4Å; I49-I106 HydrophobicContact CG1-CD1 4.1Å; I49-I106 HydrophobicContact CG1-CG1 4.49Å
50R94.4Very high95.1Very high108 Ų10862.9 Ų62.941%0.40831%0.31SS..  trans-125155.7176.5-167.9174.2179.6128.1-0.7110.3G52 D53 D112R50-G52 PolarHBondContact O-N 3.1Å; R50-D53 PolarHBondContact N-OD2 3.25Å; R50-D53 PolarHBondContact O-N 3.26Å; R50-D112 IonicContact CZ-OD2 2.96Å; R50-D112 IonicContact NE-OD2 3.29Å; R50-D112 PolarHBondContact NE-OD2 3.25Å; R50-D112 IonicContact NH1-OD2 3.38Å; R50-D112 PolarHBondContact NH1-OD2 2.92Å; R50-D112 IonicContact NH2-OD2 3.02Å; R50-D112 PolarHBondContact NH2-OD2 3.33Å
51K95.8Very high94.9Very high142 Ų14267.5 Ų67.562%0.61732%0.321SS*.THydrogen-bonded Turntrans-58.5129.9166.5176.6176.6-177.7-173.80109.3I71 K110K51-I71 VanDerWaalsContact CD-O 3.27Å; K51-I71 WeakPolarHBondContact CD-O 3.25Å; K51-I71 VanDerWaalsContact CE-O 3.3Å; K51-I71 WeakPolarHBondContact CE-O 3.33Å; K51-I71 VanDerWaalsContact CG-O 3.3Å; K51-I71 WeakPolarHBondContact CG-O 3.07Å; K51-K110 WeakPolarHBondContact O-CD 3.4Å
52G95.2Very high94.6Very high30 Ų3065.1 Ų65.131%0.30931%0.308SS..THydrogen-bonded Turntrans88.60.3-178.200000115.7R50 V70R50-G52 PolarHBondContact O-N 3.1Å; G52-V70 PolarHBondContact N-O 3.03Å
53D96.7Very high94.5Very high0 Ų069.2 Ų69.20%033%0.327CS..  trans-67.4142.2162.4-70.7-34.3000108.9R50 V55 K69 V70 I106 K108 L109 K110 R115R50-D53 PolarHBondContact N-OD2 3.25Å; R50-D53 PolarHBondContact O-N 3.26Å; D53-V55 HydrophobicContact CB-CG1 4.23Å; D53-K69 CarbonylContact O-C 3.6Å; D53-K69 WeakPolarHBondContact O-CA 3.47Å; D53-V70 PolarHBondContact O-N 3.15Å; D53-I106 HydrophobicContact CB-CG2 4.38Å; D53-K108 WeakPolarHBondContact CA-O 3.27Å; D53-L109 WeakPolarHBondContact OD1-CA 3.46Å; D53-K110 PolarHBondContact OD1-N 3.42Å; D53-R115 IonicContact OD1-CZ 3.66Å; D53-R115 IonicContact OD1-NE 3.64Å; D53-R115 IonicContact OD1-NH2 3.03Å; D53-R115 PolarHBondContact OD1-NH2 2.97Å; D53-R115 IonicContact OD2-CZ 3.75Å; D53-R115 IonicContact OD2-NH2 2.73Å; D53-R115 PolarHBondContact OD2-NH2 3.04Å
54E96.3Very high94.3Very high43 Ų4368 Ų6820%0.20133%0.325CS..EExtended strand (participates in β ladder)trans-94.4130.7170.3-65.4169-168.900109.5A68 K69 H107 K108E54-A68 WeakPolarHBondContact CA-O 3.29Å; E54-K69 HydrophobicContact CG-CG 3.64Å; E54-K69 WeakPolarHBondContact OE1-CE 3.35Å; E54-H107 PolarHBondContact O-N 3.32Å; E54-K108 HydrophobicContact CB-CB 3.75Å; E54-K108 VanDerWaalsContact CD-CD 3.49Å; E54-K108 HydrophobicContact CG-CB 4.11Å; E54-K108 HydrophobicContact CG-CD 4.4Å; E54-K108 PolarHBondContact N-O 3.2Å; E54-K108 PolarHBondContact O-N 3.28Å; E54-K108 IonicContact OE1-NZ 3.78Å; E54-K108 WeakPolarHBondContact OE2-CB 3.37Å; E54-K108 VanDerWaalsContact OE2-CD 3.26Å; E54-K108 WeakPolarHBondContact OE2-CD 3.3Å
55V96.7Very high93.9Very high1 Ų172.2 Ų72.21%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-138.4146.5-167.1-59.30000111.9D53 P67 A68 V70 I82 V104 V105 I106D53-V55 HydrophobicContact CB-CG1 4.23Å; V55-P67 WeakPolarHBondContact O-CA 3.4Å; V55-A68 WeakPolarHBondContact CG2-O 3.49Å; V55-A68 PolarHBondContact N-O 3.34Å; V55-A68 PolarHBondContact O-N 3.22Å; V55-V70 HydrophobicContact CB-CG2 4.32Å; V55-V70 HydrophobicContact CG1-CG2 3.66Å; V55-V70 HydrophobicContact CG2-CG2 3.62Å; V55-I82 HydrophobicContact CG2-CD1 3.77Å; V55-I82 HydrophobicContact CG2-CG1 3.91Å; V55-I82 HydrophobicContact CG2-CG2 4.14Å; V55-V104 HydrophobicContact CB-CG1 3.32Å; V55-V104 HydrophobicContact CG1-CG1 3.96Å; V55-V104 HydrophobicContact CG2-CG1 3.63Å; V55-V105 CarbonylContact C-O 3.55Å; V55-V105 VanDerWaalsContact CA-O 3.28Å; V55-V105 WeakPolarHBondContact CA-O 3.45Å; V55-I106 HydrophobicContact CG1-CG1 4.14Å
56Q95.3Very high93.8Very high41 Ų4167.7 Ų67.719%0.19234%0.344CS..EExtended strand (participates in β ladder)trans-111.9135.9174.1-177.8-1702.100109.9D64 V104 V105 H107Q56-D64 WeakPolarHBondContact CG-O 3.35Å; Q56-D64 PolarHBondContact NE2-O 3.03Å; Q56-V104 CarbonylContact O-C 3.55Å; Q56-V104 VanDerWaalsContact O-CA 3.3Å; Q56-V104 WeakPolarHBondContact O-CA 2.9Å; Q56-V104 WeakPolarHBondContact O-CG1 3.49Å; Q56-V105 PolarHBondContact N-O 3.45Å; Q56-V105 PolarHBondContact O-N 3.06Å; Q56-H107 VanDerWaalsContact CB-CD2 3.4Å; Q56-H107 WeakPolarHBondContact CB-CD2 3.31Å; Q56-H107 WeakPolarHBondContact CB-NE2 3.3Å; Q56-H107 PolarHBondContact OE1-NE2 3.3Å
57I95.7Very high93.7Very high10 Ų1068.8 Ų68.85%0.05135%0.351CS..EExtended strand (participates in β ladder)trans-82.4121.1176.7-56.3160.8000108.7R59 R62 K63 D64 I82 L85 I99 V104I57-R59 WeakPolarHBondContact CG2-O 3.47Å; I57-R62 VanDerWaalsContact CD1-O 3.3Å; I57-R62 WeakPolarHBondContact CD1-O 3.45Å; I57-R62 WeakPolarHBondContact CG2-O 3.43Å; I57-K63 WeakPolarHBondContact O-CG 3.47Å; I57-D64 PolarHBondContact O-N 2.87Å; I57-I82 HydrophobicContact CD1-CD1 3.98Å; I57-I82 HydrophobicContact CG1-CD1 3.65Å; I57-L85 HydrophobicContact CD1-CD1 3.7Å; I57-L85 HydrophobicContact CD1-CD2 4.18Å; I57-L85 HydrophobicContact CD1-CG 4.47Å; I57-I99 HydrophobicContact CB-CD1 4.48Å; I57-I99 HydrophobicContact CD1-CD1 3.41Å; I57-I99 VanDerWaalsContact CD1-CD1 3.41Å; I57-I99 HydrophobicContact CG1-CD1 3.73Å; I57-I99 HydrophobicContact CG2-CD1 3.9Å; I57-V104 HydrophobicContact CG1-CG2 4.31Å
58V95.4Very high93.7Very high56 Ų5669.7 Ų69.734%0.33936%0.358SS..  trans-104.8-25.9-175.2179.80000112.4N103 V105V58-N103 PolarHBondContact N-O 2.88Å; V58-V105 HydrophobicContact CG2-CB 3.99Å; V58-V105 HydrophobicContact CG2-CG2 3.51Å
59R94.1Very high93.6Very high168 Ų16874 Ų7463%0.63438%0.375SS*.SBendtrans-127.6146.6-177.4-61-179.2179.7-172.5-3.9111.6I57 N103I57-R59 WeakPolarHBondContact CG2-O 3.47Å; R59-N103 HydrophobicContact CB-CB 4.01Å; R59-N103 PolarHBondContact N-O 3.24Å
60G92.4Very high93.7Very high57 Ų5773.7 Ų73.759%0.58837%0.374SS*.SBendtrans101.7172.7177.900000112.6R62 K63G60-R62 PolarHBondContact O-N 2.89Å; G60-K63 WeakPolarHBondContact O-CB 3.44Å; G60-K63 PolarHBondContact O-N 2.86Å; G60-K63 VanDerWaalsContact O-N 3.16Å
61E90.5Very high93.7Very high191 Ų19172 Ų7289%0.89337%0.372SS*.THydrogen-bonded Turntrans-57.2-35.4-178.8-172.9-172.9170.700112.8K63E61-K63 PolarHBondContact O-N 2.8Å
62R88.7Confident93.7Very high101 Ų10172.9 Ų72.938%0.38137%0.372SS..THydrogen-bonded Turntrans-90.734.6178.6-51.9-160.2-17595.10.5113.2I57 G60 D64 L85 I97I57-R62 VanDerWaalsContact CD1-O 3.3Å; I57-R62 WeakPolarHBondContact CD1-O 3.45Å; I57-R62 WeakPolarHBondContact CG2-O 3.43Å; G60-R62 PolarHBondContact O-N 2.89Å; R62-D64 PolarHBondContact O-N 2.73Å; R62-L85 HydrophobicContact CB-CD1 3.71Å; R62-L85 HydrophobicContact CG-CD1 4.19Å; R62-I97 VanDerWaalsContact CZ-CG1 3.41Å; R62-I97 VanDerWaalsContact NH1-CG1 3.29Å
63K92.2Very high93.8Very high138 Ų13873 Ų7360%0.637%0.367SS*.  trans-63.8124.5172.2-178.7-171.8176.1-167.20107.8I57 G60 E61I57-K63 WeakPolarHBondContact O-CG 3.47Å; G60-K63 WeakPolarHBondContact O-CB 3.44Å; G60-K63 PolarHBondContact O-N 2.86Å; G60-K63 VanDerWaalsContact O-N 3.16Å; E61-K63 PolarHBondContact O-N 2.8Å
64D87.5Confident93.8Very high75 Ų7576.9 Ų76.940%0.40138%0.382SS..  trans-130.2145.6-180-166.1-10.9000108.6Q56 I57 R62 N66Q56-D64 WeakPolarHBondContact CG-O 3.35Å; Q56-D64 PolarHBondContact NE2-O 3.03Å; I57-D64 PolarHBondContact O-N 2.87Å; R62-D64 PolarHBondContact O-N 2.73Å; D64-N66 PolarHBondContact OD1-N 3.26Å; D64-N66 PolarHBondContact OD1-ND2 3.33Å
65C86.5Confident93.8Very high97 Ų9778.8 Ų78.866%0.65539%0.387SS*.SBendtrans-77.3-27.9173.7-70.10000111.5
66N91.5Very high93.8Very high99 Ų9986 Ų8653%0.52942%0.418SS..SBendtrans-77.1126.9-173.3-64.6-46.9000111.8D64D64-N66 PolarHBondContact OD1-N 3.26Å; D64-N66 PolarHBondContact OD1-ND2 3.33Å
67P93.6Very high93.8Very high68 Ų6891.1 Ų91.144%0.44244%0.44SS..  trans-68.9133.8171.528.8-32.7000109.9V55 H107V55-P67 WeakPolarHBondContact O-CA 3.4Å; P67-H107 HydrophobicContact CB-CB 4.44Å
68A95Very high93.8Very high18 Ų1891.6 Ų91.615%0.14944%0.441CS..EExtended strand (participates in β ladder)trans-130.3152.4178.600000110.8E54 V55 I82 E83E54-A68 WeakPolarHBondContact CA-O 3.29Å; V55-A68 WeakPolarHBondContact CG2-O 3.49Å; V55-A68 PolarHBondContact N-O 3.34Å; V55-A68 PolarHBondContact O-N 3.22Å; A68-I82 HydrophobicContact CB-CG2 3.46Å; A68-I82 VanDerWaalsContact CB-CG2 3.46Å; A68-E83 HydrophobicContact CB-CB 4.37Å
69K96.5Very high93.9Very high103 Ų10390.4 Ų90.445%0.44843%0.434SS..EExtended strand (participates in β ladder)trans-76.8144.6-176.8-69.7174.9-179.9170.30111.6D53 E54 I71 E83D53-K69 CarbonylContact O-C 3.6Å; D53-K69 WeakPolarHBondContact O-CA 3.47Å; E54-K69 HydrophobicContact CG-CG 3.64Å; E54-K69 WeakPolarHBondContact OE1-CE 3.35Å; K69-I71 PolarHBondContact O-N 2.87Å; K69-E83 WeakPolarHBondContact CB-OE2 3.25Å; K69-E83 WeakPolarHBondContact O-CB 3.22Å; K69-E83 PolarHBondContact O-N 2.83Å
70V97.1Very high94Very high2 Ų282.4 Ų82.41%0.01240%0.404CS..EExtended strand (participates in β ladder)trans-77.2114.2170.5178.90000109.6I49 G52 D53 V55 V73 I80I49-V70 HydrophobicContact CG2-CG1 4.15Å; I49-V70 HydrophobicContact CG2-CG2 4.01Å; G52-V70 PolarHBondContact N-O 3.03Å; D53-V70 PolarHBondContact O-N 3.15Å; V55-V70 HydrophobicContact CB-CG2 4.32Å; V55-V70 HydrophobicContact CG1-CG2 3.66Å; V55-V70 HydrophobicContact CG2-CG2 3.62Å; V70-V73 HydrophobicContact CG1-CG2 3.83Å; V70-I80 HydrophobicContact CG1-CB 4.49Å
71I96.1Very high94.2Very high73 Ų7381 Ų8137%0.37438%0.382SS..EExtended strand (participates in β ladder)trans-75.9-49.3178.4-62.6172.5000110.7K51 K69 H81 E83K51-I71 VanDerWaalsContact CD-O 3.27Å; K51-I71 WeakPolarHBondContact CD-O 3.25Å; K51-I71 VanDerWaalsContact CE-O 3.3Å; K51-I71 WeakPolarHBondContact CE-O 3.33Å; K51-I71 VanDerWaalsContact CG-O 3.3Å; K51-I71 WeakPolarHBondContact CG-O 3.07Å; K69-I71 PolarHBondContact O-N 2.87Å; I71-H81 PolarHBondContact N-O 2.9Å; I71-E83 HydrophobicContact CD1-CB 4.12Å; I71-E83 HydrophobicContact CD1-CG 4.33Å; I71-E83 HydrophobicContact CG1-CB 4.15Å
72R95.8Very high94.4Very high160 Ų16072 Ų7260%0.60434%0.34SS*.EExtended strand (participates in β ladder)trans-147.4138.2-172.7-173.4175.8-172.7173.53.3111H81R72-H81 HydrophobicContact CB-CB 4.34Å; R72-H81 PolarHBondContact N-O 2.72Å; R72-H81 PolarHBondContact O-N 3.33Å
73V97Very high94.6Very high33 Ų3371 Ų7120%0.234%0.34CS..EExtended strand (participates in β ladder)trans-106.6105.3172.4-179.50000108.2M30 I49 V70 R75 I80M30-V73 HydrophobicContact CE-CG1 3.91Å; M30-V73 HydrophobicContact SD-CG1 4.38Å; I49-V73 HydrophobicContact CG2-CG2 4Å; V70-V73 HydrophobicContact CG1-CG2 3.83Å; V73-R75 HydrophobicContact CG1-CG 4.05Å; V73-R75 PolarHBondContact O-N 2.99Å; V73-I80 HydrophobicContact CG1-CG2 4.28Å; V73-I80 HydrophobicContact CG2-CG2 4.29Å
74Y96.5Very high94.5Very high80 Ų8074.2 Ų74.231%0.31435%0.348SS..EExtended strand (participates in β ladder)trans-94.484.1-178.9-166.6-153.4000111.5K76 K77 Y78 V79Y74-K76 VanDerWaalsContact C-N 3.26Å; Y74-K76 HydrophobicContact CD2-CB 4.39Å; Y74-K76 HydrophobicContact CE2-CB 3.86Å; Y74-K76 PolarHBondContact O-N 3.33Å; Y74-K77 HydrophobicContact CD1-CB 3.79Å; Y74-K77 HydrophobicContact CD1-CD 3.85Å; Y74-K77 HydrophobicContact CD1-CG 3.76Å; Y74-K77 HydrophobicContact CE1-CB 4.07Å; Y74-K77 HydrophobicContact CE1-CD 3.5Å; Y74-K77 VanDerWaalsContact CE1-CD 3.5Å; Y74-K77 HydrophobicContact CE1-CG 3.48Å; Y74-K77 VanDerWaalsContact CE1-CG 3.48Å; Y74-K77 PolarHBondContact O-N 3.38Å; Y74-Y78 PolarHBondContact O-N 2.9Å; Y74-V79 CarbonylContact C-O 3.57Å; Y74-V79 WeakPolarHBondContact CA-O 3.41Å; Y74-V79 PolarHBondContact N-O 3.07Å; Y74-V79 PolarHBondContact O-N 3.4Å
75R96.6Very high94.7Very high83 Ų8371.4 Ų71.431%0.31333%0.333SS..G310 helixtrans-60.6-29-174.2-64.2-175.3-175.8157.56.8114.2S23 R26 M30 V73 K77 Y78S23-R75 PolarHBondContact OG-NH1 3.26Å; R26-R75 HydrophobicContact CB-CB 4.27Å; R26-R75 WeakPolarHBondContact CD-O 3.41Å; M30-R75 HydrophobicContact SD-CB 4.22Å; M30-R75 HydrophobicContact SD-CG 4.02Å; V73-R75 HydrophobicContact CG1-CG 4.05Å; V73-R75 PolarHBondContact O-N 2.99Å; R75-K77 VanDerWaalsContact C-N 3.32Å; R75-K77 PolarHBondContact O-N 2.87Å; R75-Y78 PolarHBondContact O-N 3.44Å
76K95.3Very high95Very high154 Ų15471 Ų7167%0.6732%0.321SS*.G310 helixtrans-65.5-35.1179.5-169.5173.6180178.80112.3Y74Y74-K76 VanDerWaalsContact C-N 3.26Å; Y74-K76 HydrophobicContact CD2-CB 4.39Å; Y74-K76 HydrophobicContact CE2-CB 3.86Å; Y74-K76 PolarHBondContact O-N 3.33Å
77K95.8Very high95.1Very high148 Ų14868.8 Ų68.864%0.64331%0.313SS*.G310 helixtrans-100.36.4178.9-69.3-167.7179.4-176.60114Y74 R75 V79Y74-K77 HydrophobicContact CD1-CB 3.79Å; Y74-K77 HydrophobicContact CD1-CD 3.85Å; Y74-K77 HydrophobicContact CD1-CG 3.76Å; Y74-K77 HydrophobicContact CE1-CB 4.07Å; Y74-K77 HydrophobicContact CE1-CD 3.5Å; Y74-K77 VanDerWaalsContact CE1-CD 3.5Å; Y74-K77 HydrophobicContact CE1-CG 3.48Å; Y74-K77 VanDerWaalsContact CE1-CG 3.48Å; Y74-K77 PolarHBondContact O-N 3.38Å; R75-K77 VanDerWaalsContact C-N 3.32Å; R75-K77 PolarHBondContact O-N 2.87Å; K77-V79 HydrophobicContact CB-CB 4.4Å; K77-V79 WeakPolarHBondContact O-CG2 3.35Å; K77-V79 PolarHBondContact O-N 3.22Å
78Y96.4Very high95.1Very high19 Ų1974.2 Ų74.28%0.07533%0.325CS..THydrogen-bonded Turntrans56.134.4-176.2-73.7-84.2000114.4Y18 R26 L29 M30 Y74 R75 H100Y18-Y78 HydrophobicContact CE1-CD2 4.23Å; Y18-Y78 HydrophobicContact CE1-CE1 4.36Å; Y18-Y78 AromaticContact CE1-CE2 3.99Å; Y18-Y78 HydrophobicContact CE1-CE2 3.99Å; Y18-Y78 HydrophobicContact CE1-CG 4.49Å; Y18-Y78 HydrophobicContact CE2-CD1 4.41Å; Y18-Y78 AromaticContact CE2-CE1 3.94Å; Y18-Y78 HydrophobicContact CE2-CE1 3.94Å; Y18-Y78 AromaticContact CZ-CD1 3.88Å; Y18-Y78 AromaticContact CZ-CE1 3.74Å; Y18-Y78 AromaticContact CZ-CZ 3.88Å; Y18-Y78 PolarHBondContact O-OH 2.98Å; Y18-Y78 WeakPolarHBondContact OH-CD1 3.3Å; R26-Y78 HydrophobicContact CB-CE1 4.34Å; R26-Y78 HydrophobicContact CG-CE1 4.21Å; R26-Y78 WeakPolarHBondContact CG-OH 3.47Å; L29-Y78 HydrophobicContact CB-CE1 4.22Å; L29-Y78 HydrophobicContact CD1-CE1 4.17Å; M30-Y78 VanDerWaalsContact CE-C 3.49Å; M30-Y78 HydrophobicContact CG-CD1 3.83Å; M30-Y78 HydrophobicContact CG-CE1 4.38Å; M30-Y78 HydrophobicContact SD-CD1 4.22Å; Y74-Y78 PolarHBondContact O-N 2.9Å; R75-Y78 PolarHBondContact O-N 3.44Å; Y78-H100 PolarHBondContact O-CD2 3.39Å; Y78-H100 VanDerWaalsContact O-CD2 3.3Å
79V96.7Very high95.2Very high31 Ų3178.8 Ų78.819%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-127146.2-170.5156.20000111.3Y74 K77 I99Y74-V79 CarbonylContact C-O 3.57Å; Y74-V79 WeakPolarHBondContact CA-O 3.41Å; Y74-V79 PolarHBondContact N-O 3.07Å; Y74-V79 PolarHBondContact O-N 3.4Å; K77-V79 HydrophobicContact CB-CB 4.4Å; K77-V79 WeakPolarHBondContact O-CG2 3.35Å; K77-V79 PolarHBondContact O-N 3.22Å; V79-I99 CarbonylContact C-O 3.6Å; V79-I99 WeakPolarHBondContact CA-O 3.32Å
80I96.8Very high95.2Very high0 Ų083.8 Ų83.80%037%0.369CS..EExtended strand (participates in β ladder)trans-110.3146.9166.965.6172.9000110.5M30 I49 V70 V73 I82 I99 P101 V104M30-I80 HydrophobicContact CE-CG2 3.96Å; I49-I80 HydrophobicContact CD1-CD1 3.87Å; I49-I80 HydrophobicContact CD1-CG2 4.34Å; I49-I80 HydrophobicContact CG2-CG2 4.14Å; V70-I80 HydrophobicContact CG1-CB 4.49Å; V73-I80 HydrophobicContact CG1-CG2 4.28Å; V73-I80 HydrophobicContact CG2-CG2 4.29Å; I80-I82 HydrophobicContact CD1-CD1 4.13Å; I80-I82 HydrophobicContact CD1-CG1 4.17Å; I80-I82 HydrophobicContact CG1-CD1 4.5Å; I80-I82 HydrophobicContact CG1-CG1 4.33Å; I80-I99 HydrophobicContact CG1-CB 4.39Å; I80-I99 VanDerWaalsContact CG1-O 3.29Å; I80-I99 WeakPolarHBondContact CG1-O 3.39Å; I80-I99 PolarHBondContact N-O 2.92Å; I80-I99 PolarHBondContact O-N 2.92Å; I80-P101 HydrophobicContact CG2-CB 4.49Å; I80-V104 HydrophobicContact CD1-CB 4.35Å; I80-V104 HydrophobicContact CD1-CG1 4.26Å; I80-V104 HydrophobicContact CD1-CG2 4.1Å
81H96.2Very high95.1Very high29 Ų2989.6 Ų89.613%0.13440%0.4CS..EExtended strand (participates in β ladder)trans-109.4126.2171.3-62.2-57000108.7I71 R72 P96 I97I71-H81 PolarHBondContact N-O 2.9Å; R72-H81 HydrophobicContact CB-CB 4.34Å; R72-H81 PolarHBondContact N-O 2.72Å; R72-H81 PolarHBondContact O-N 3.33Å; H81-P96 HydrophobicContact CB-CB 4.09Å; H81-I97 PolarHBondContact ND1-O 3.24Å
82I95.4Very high95Very high2 Ų287.3 Ų87.31%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-107.5147.2-176.6-57.1171.5000107.8V55 I57 A68 I80 L85 I99 V104V55-I82 HydrophobicContact CG2-CD1 3.77Å; V55-I82 HydrophobicContact CG2-CG1 3.91Å; V55-I82 HydrophobicContact CG2-CG2 4.14Å; I57-I82 HydrophobicContact CD1-CD1 3.98Å; I57-I82 HydrophobicContact CG1-CD1 3.65Å; A68-I82 HydrophobicContact CB-CG2 3.46Å; A68-I82 VanDerWaalsContact CB-CG2 3.46Å; I80-I82 HydrophobicContact CD1-CD1 4.13Å; I80-I82 HydrophobicContact CD1-CG1 4.17Å; I80-I82 HydrophobicContact CG1-CD1 4.5Å; I80-I82 HydrophobicContact CG1-CG1 4.33Å; I82-L85 HydrophobicContact CB-CB 4.17Å; I82-L85 PolarHBondContact O-N 2.65Å; I82-I99 HydrophobicContact CD1-CD1 4.31Å; I82-V104 HydrophobicContact CD1-CG2 4.12Å
83E93.1Very high95Very high79 Ų7981.8 Ų81.837%0.36938%0.383SS..EExtended strand (participates in β ladder)trans-58.1145.7172.6-160.4-176.2165.500111.2A68 K69 I71 L85A68-E83 HydrophobicContact CB-CB 4.37Å; K69-E83 WeakPolarHBondContact CB-OE2 3.25Å; K69-E83 WeakPolarHBondContact O-CB 3.22Å; K69-E83 PolarHBondContact O-N 2.83Å; I71-E83 HydrophobicContact CD1-CB 4.12Å; I71-E83 HydrophobicContact CD1-CG 4.33Å; I71-E83 HydrophobicContact CG1-CB 4.15Å; E83-L85 PolarHBondContact O-N 3.43Å
84R89.5Confident94.9Very high205 Ų20587.4 Ų87.477%0.77440%0.401SS*.EExtended strand (participates in β ladder)trans64.5-9.6-176.8-50.1178.3-178179-3.7115.8Q86R84-Q86 PolarHBondContact O-N 3.16Å; R84-Q86 VanDerWaalsContact O-N 3.14Å
85L91.3Very high94.8Very high17 Ų1784.6 Ų84.69%0.08940%0.395CS..EExtended strand (participates in β ladder)trans-88.181.2178.4-164.681.7000111.6I57 R62 I82 E83 P96 I97 I99I57-L85 HydrophobicContact CD1-CD1 3.7Å; I57-L85 HydrophobicContact CD1-CD2 4.18Å; I57-L85 HydrophobicContact CD1-CG 4.47Å; R62-L85 HydrophobicContact CB-CD1 3.71Å; R62-L85 HydrophobicContact CG-CD1 4.19Å; I82-L85 HydrophobicContact CB-CB 4.17Å; I82-L85 PolarHBondContact O-N 2.65Å; E83-L85 PolarHBondContact O-N 3.43Å; L85-P96 WeakPolarHBondContact O-CA 3.4Å; L85-I97 HydrophobicContact CD2-CB 4.35Å; L85-I97 HydrophobicContact CG-CD1 4.23Å; L85-I97 PolarHBondContact O-N 3.36Å; L85-I99 HydrophobicContact CD1-CD1 4.35Å; L85-I99 HydrophobicContact CD2-CD1 3.21Å; L85-I99 HydrophobicContact CD2-CG1 3.52Å; L85-I99 HydrophobicContact CG-CD1 4.4Å
86Q93.2Very high94.7Very high87 Ų8783.6 Ų83.641%0.40740%0.399SS..EExtended strand (participates in β ladder)trans-132.2147.9-175.4-54.9179.9-0.200111.8R84 Y94 A95R84-Q86 PolarHBondContact O-N 3.16Å; R84-Q86 VanDerWaalsContact O-N 3.14Å; Q86-Y94 HydrophobicContact CB-CD1 4.11Å; Q86-A95 CarbonylContact C-O 3.47Å; Q86-A95 WeakPolarHBondContact CA-O 3.49Å
87C93Very high94.6Very high53 Ų5377.7 Ų77.736%0.35837%0.374SS..EExtended strand (participates in β ladder)trans-105.8137.7168.857.40000109.4Y94 A95 I97C87-Y94 WeakPolarHBondContact O-CA 3.3Å; C87-A95 PolarHBondContact N-O 3.41Å; C87-A95 PolarHBondContact O-N 3.43Å; C87-I97 HydrophobicContact CB-CD1 3.92Å; C87-I97 HydrophobicContact CB-CG1 3.96Å; C87-I97 VanDerWaalsContact N-CD1 3.33Å
88R94.5Very high94.6Very high183 Ų18372.3 Ų72.369%0.69136%0.361SS*.EExtended strand (participates in β ladder)trans-76.6129.8172.3-170.2176.5177.9-170.6-2.5108.7Y94R88-Y94 HydrophobicContact CB-CD1 4.25Å; R88-Y94 HydrophobicContact CB-CE1 4.01Å; R88-Y94 HydrophobicContact CG-CE1 4.42Å
89K96.4Very high94.6Very high114 Ų11472.2 Ų72.250%0.49636%0.362SS..  trans-82.2165170.7-64.9-175.6-173.3-177.80110.2N91 G92 A93K89-N91 WeakPolarHBondContact CB-OD1 3.4Å; K89-N91 PolarHBondContact O-N 3.44Å; K89-G92 PolarHBondContact O-N 3.37Å; K89-A93 WeakPolarHBondContact CB-O 3.29Å; K89-A93 PolarHBondContact N-O 2.94Å
90M96.1Very high94.5Very high207 Ų20773.7 Ų73.7100%1.0237%0.366SS*.THydrogen-bonded Turntrans-56.5-34.3176.2-174.5175.4-110.800113G92M90-G92 PolarHBondContact O-N 3.02Å
91N96Very high94.5Very high124 Ų12473.7 Ų73.766%0.66337%0.366SS*.THydrogen-bonded Turntrans-78.48.3176.373.5-18.1000114.4K89 A93K89-N91 WeakPolarHBondContact CB-OD1 3.4Å; K89-N91 PolarHBondContact O-N 3.44Å; N91-A93 VanDerWaalsContact C-N 3.29Å; N91-A93 PolarHBondContact O-N 3.38Å; N91-A93 WeakPolarHBondContact OD1-CB 3.47Å; N91-A93 PolarHBondContact OD1-N 3.29Å
92G94.2Very high94.5Very high26 Ų2675 Ų7527%0.26838%0.379SS..SBendtrans84.2-14.3179.800000115.8K89 M90K89-G92 PolarHBondContact O-N 3.37Å; M90-G92 PolarHBondContact O-N 3.02Å
93A95.7Very high94.5Very high43 Ų4377.2 Ų77.236%0.35539%0.391SS..  trans-72.6148.7178.300000112.1K89 N91K89-A93 WeakPolarHBondContact CB-O 3.29Å; K89-A93 PolarHBondContact N-O 2.94Å; N91-A93 VanDerWaalsContact C-N 3.29Å; N91-A93 PolarHBondContact O-N 3.38Å; N91-A93 WeakPolarHBondContact OD1-CB 3.47Å; N91-A93 PolarHBondContact OD1-N 3.29Å
94Y95.2Very high94.7Very high151 Ų15173.5 Ų73.559%0.59237%0.373SS*.EExtended strand (participates in β ladder)trans-93.2137.5175.8-68.8-85.5000112.2Q86 C87 R88Q86-Y94 HydrophobicContact CB-CD1 4.11Å; C87-Y94 WeakPolarHBondContact O-CA 3.3Å; R88-Y94 HydrophobicContact CB-CD1 4.25Å; R88-Y94 HydrophobicContact CB-CE1 4.01Å; R88-Y94 HydrophobicContact CG-CE1 4.42Å
95A93.7Very high95Very high21 Ų2165 Ų6517%0.17434%0.344CS..EExtended strand (participates in β ladder)trans-118.5135.9171.500000110.9Q86 C87 I97Q86-A95 CarbonylContact C-O 3.47Å; Q86-A95 WeakPolarHBondContact CA-O 3.49Å; C87-A95 PolarHBondContact N-O 3.41Å; C87-A95 PolarHBondContact O-N 3.43Å; A95-I97 PolarHBondContact O-N 2.81Å
96P94.4Very high95.3Very high63 Ų6364.2 Ų64.241%0.40934%0.34SS..EExtended strand (participates in β ladder)trans-69.7131.5178.429.8-34.5000110.1H81 L85H81-P96 HydrophobicContact CB-CB 4.09Å; L85-P96 WeakPolarHBondContact O-CA 3.4Å
97I94.1Very high95.4Very high29 Ų2963 Ų6315%0.14933%0.334CS..EExtended strand (participates in β ladder)trans-80.6143.6172.4-47.8108.9000110R62 H81 L85 C87 A95R62-I97 VanDerWaalsContact CZ-CG1 3.41Å; R62-I97 VanDerWaalsContact NH1-CG1 3.29Å; H81-I97 PolarHBondContact ND1-O 3.24Å; L85-I97 HydrophobicContact CD2-CB 4.35Å; L85-I97 HydrophobicContact CG-CD1 4.23Å; L85-I97 PolarHBondContact O-N 3.36Å; C87-I97 HydrophobicContact CB-CD1 3.92Å; C87-I97 HydrophobicContact CB-CG1 3.96Å; C87-I97 VanDerWaalsContact N-CD1 3.33Å; A95-I97 PolarHBondContact O-N 2.81Å
98G95.3Very high95.5Very high35 Ų3566.3 Ų66.336%0.36134%0.343SS..EExtended strand (participates in β ladder)trans-84.3126.2175.300000113.3
99I95.4Very high95.6Very high17 Ų1758.4 Ų58.49%0.08731%0.314CS..EExtended strand (participates in β ladder)trans-114.2146.1170.7-68.1-172000110.2I57 V79 I80 I82 L85 N103 V104I57-I99 HydrophobicContact CB-CD1 4.48Å; I57-I99 HydrophobicContact CD1-CD1 3.41Å; I57-I99 VanDerWaalsContact CD1-CD1 3.41Å; I57-I99 HydrophobicContact CG1-CD1 3.73Å; I57-I99 HydrophobicContact CG2-CD1 3.9Å; V79-I99 CarbonylContact C-O 3.6Å; V79-I99 WeakPolarHBondContact CA-O 3.32Å; I80-I99 HydrophobicContact CG1-CB 4.39Å; I80-I99 VanDerWaalsContact CG1-O 3.29Å; I80-I99 WeakPolarHBondContact CG1-O 3.39Å; I80-I99 PolarHBondContact N-O 2.92Å; I80-I99 PolarHBondContact O-N 2.92Å; I82-I99 HydrophobicContact CD1-CD1 4.31Å; L85-I99 HydrophobicContact CD1-CD1 4.35Å; L85-I99 HydrophobicContact CD2-CD1 3.21Å; L85-I99 HydrophobicContact CD2-CG1 3.52Å; L85-I99 HydrophobicContact CG-CD1 4.4Å; I99-N103 HydrophobicContact CG2-CB 4.17Å; I99-V104 HydrophobicContact CG2-CG2 3.51Å
100H96Very high95.5Very high62 Ų6257.5 Ų57.529%0.28731%0.31SS..  trans-78134.9172.9-170.7-93.9000110.7Y78 S102 N103Y78-H100 PolarHBondContact O-CD2 3.39Å; Y78-H100 VanDerWaalsContact O-CD2 3.3Å; H100-S102 PolarHBondContact CE1-OG 2.84Å; H100-S102 WeakPolarHBondContact ND1-CB 3.47Å; H100-S102 PolarHBondContact ND1-N 2.96Å; H100-S102 PolarHBondContact ND1-OG 3.45Å; H100-S102 PolarHBondContact O-N 3.28Å; H100-N103 WeakPolarHBondContact O-CB 3.48Å; H100-N103 PolarHBondContact O-N 3.37Å
101P96.2Very high95.5Very high0 Ų050.4 Ų50.40%028%0.276CS..G310 helixtrans-54.9-28-177.821.1-36.3000115.2M30 A32 I49 I80 N103 V104M30-P101 HydrophobicContact CB-CG 3.88Å; M30-P101 HydrophobicContact CE-CG 4.07Å; M30-P101 HydrophobicContact CG-CG 4.05Å; A32-P101 WeakPolarHBondContact CB-O 3.41Å; I49-P101 HydrophobicContact CD1-CB 3.28Å; I49-P101 HydrophobicContact CG1-CB 4.4Å; I80-P101 HydrophobicContact CG2-CB 4.49Å; P101-N103 PolarHBondContact O-N 2.93Å; P101-V104 PolarHBondContact O-N 3.14Å
102S95.8Very high95.4Very high58 Ų5846.8 Ų46.841%0.40626%0.257SS..G310 helixtrans-69.8-17.4177.867.80000114.2H100H100-S102 PolarHBondContact CE1-OG 2.84Å; H100-S102 WeakPolarHBondContact ND1-CB 3.47Å; H100-S102 PolarHBondContact ND1-N 2.96Å; H100-S102 PolarHBondContact ND1-OG 3.45Å; H100-S102 PolarHBondContact O-N 3.28Å
103N95.8Very high95.5Very high47 Ų4754.3 Ų54.325%0.25128%0.282SS..G310 helixtrans-90.47.6-177.4-65.7-10.2000112.3V58 R59 I99 H100 P101V58-N103 PolarHBondContact N-O 2.88Å; R59-N103 HydrophobicContact CB-CB 4.01Å; R59-N103 PolarHBondContact N-O 3.24Å; I99-N103 HydrophobicContact CG2-CB 4.17Å; H100-N103 WeakPolarHBondContact O-CB 3.48Å; H100-N103 PolarHBondContact O-N 3.37Å; P101-N103 PolarHBondContact O-N 2.93Å
104V96.4Very high95.5Very high1 Ų157.8 Ų57.81%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-133.2145-166.8173.60000109P33 V55 Q56 I57 I80 I82 I99 P101P33-V104 VanDerWaalsContact CD-O 3.25Å; P33-V104 WeakPolarHBondContact CD-O 3.49Å; P33-V104 WeakPolarHBondContact CG-O 3.26Å; V55-V104 HydrophobicContact CB-CG1 3.32Å; V55-V104 HydrophobicContact CG1-CG1 3.96Å; V55-V104 HydrophobicContact CG2-CG1 3.63Å; Q56-V104 CarbonylContact O-C 3.55Å; Q56-V104 VanDerWaalsContact O-CA 3.3Å; Q56-V104 WeakPolarHBondContact O-CA 2.9Å; Q56-V104 WeakPolarHBondContact O-CG1 3.49Å; I57-V104 HydrophobicContact CG1-CG2 4.31Å; I80-V104 HydrophobicContact CD1-CB 4.35Å; I80-V104 HydrophobicContact CD1-CG1 4.26Å; I80-V104 HydrophobicContact CD1-CG2 4.1Å; I82-V104 HydrophobicContact CD1-CG2 4.12Å; I99-V104 HydrophobicContact CG2-CG2 3.51Å; P101-V104 PolarHBondContact O-N 3.14Å
105V97Very high95.4Very high27 Ų2751.3 Ų51.316%0.16427%0.269CS..EExtended strand (participates in β ladder)trans-114.2134.9175.3172.30000109.1P33 V55 Q56 V58P33-V105 HydrophobicContact CB-CG2 4.5Å; P33-V105 HydrophobicContact CG-CG2 3.88Å; P33-V105 WeakPolarHBondContact O-CA 3.3Å; V55-V105 CarbonylContact C-O 3.55Å; V55-V105 VanDerWaalsContact CA-O 3.28Å; V55-V105 WeakPolarHBondContact CA-O 3.45Å; Q56-V105 PolarHBondContact N-O 3.45Å; Q56-V105 PolarHBondContact O-N 3.06Å; V58-V105 HydrophobicContact CG2-CB 3.99Å; V58-V105 HydrophobicContact CG2-CG2 3.51Å
106I97Very high95.5Very high0 Ų057.1 Ų57.10%029%0.287CS..EExtended strand (participates in β ladder)trans-82.7125.9176.2-53.8174.1000109.1A32 P33 L34 S35 L38 M47 I49 D53 V55 L109A32-I106 HydrophobicContact CB-CD1 3.95Å; A32-I106 HydrophobicContact CB-CG1 3.81Å; P33-I106 PolarHBondContact O-N 2.75Å; L34-I106 HydrophobicContact CD2-CB 3.93Å; L34-I106 HydrophobicContact CD2-CD1 3.96Å; L34-I106 HydrophobicContact CD2-CG1 4.42Å; L34-I106 HydrophobicContact CD2-CG2 4.35Å; S35-I106 WeakPolarHBondContact CB-O 3.29Å; S35-I106 PolarHBondContact N-O 2.88Å; L38-I106 HydrophobicContact CD1-CG2 4.25Å; M47-I106 HydrophobicContact CB-CD1 4.23Å; I49-I106 HydrophobicContact CG1-CD1 4.1Å; I49-I106 HydrophobicContact CG1-CG1 4.49Å; D53-I106 HydrophobicContact CB-CG2 4.38Å; V55-I106 HydrophobicContact CG1-CG1 4.14Å; I106-L109 HydrophobicContact CD1-CD2 4.16Å; I106-L109 HydrophobicContact CG2-CD2 3.68Å; I106-L109 HydrophobicContact CG2-CG 4.12Å
107H95.1Very high95.6Very high62 Ų6256.3 Ų56.329%0.28728%0.282SS..EExtended strand (participates in β ladder)trans-100.7-38.5174.3-80.7-62.6000113.1S35 L38 E54 Q56 P67S35-H107 WeakPolarHBondContact CB-ND1 3.46Å; L38-H107 VanDerWaalsContact CD1-O 3.27Å; L38-H107 WeakPolarHBondContact CD1-O 3.47Å; L38-H107 WeakPolarHBondContact CG-O 3.45Å; E54-H107 PolarHBondContact O-N 3.32Å; Q56-H107 VanDerWaalsContact CB-CD2 3.4Å; Q56-H107 WeakPolarHBondContact CB-CD2 3.31Å; Q56-H107 WeakPolarHBondContact CB-NE2 3.3Å; Q56-H107 PolarHBondContact OE1-NE2 3.3Å; P67-H107 HydrophobicContact CB-CB 4.44Å
108K95.6Very high95.6Very high123 Ų12356.9 Ų56.954%0.53529%0.286SS..EExtended strand (participates in β ladder)trans-128.8128175.6-161.2179.7-179.9173.90110.2D53 E54D53-K108 WeakPolarHBondContact CA-O 3.27Å; E54-K108 HydrophobicContact CB-CB 3.75Å; E54-K108 VanDerWaalsContact CD-CD 3.49Å; E54-K108 HydrophobicContact CG-CB 4.11Å; E54-K108 HydrophobicContact CG-CD 4.4Å; E54-K108 PolarHBondContact N-O 3.2Å; E54-K108 PolarHBondContact O-N 3.28Å; E54-K108 IonicContact OE1-NZ 3.78Å; E54-K108 WeakPolarHBondContact OE2-CB 3.37Å; E54-K108 VanDerWaalsContact OE2-CD 3.26Å; E54-K108 WeakPolarHBondContact OE2-CD 3.3Å
109L95.8Very high95.6Very high16 Ų1655.5 Ų55.58%0.08427%0.27CS..  trans-89.7133.6176.8-68.5166.6000109.9L34 L38 Y42 M47 D53 I106 L111 L119L34-L109 HydrophobicContact CD2-CD1 4.21Å; L34-L109 HydrophobicContact CD2-CD2 3.87Å; L34-L109 HydrophobicContact CD2-CG 4.35Å; L38-L109 HydrophobicContact CD1-CD1 4.08Å; L38-L109 HydrophobicContact CD1-CG 3.89Å; Y42-L109 HydrophobicContact CD2-CD1 3.97Å; Y42-L109 HydrophobicContact CE2-CD1 3.77Å; M47-L109 HydrophobicContact CB-CD2 4.37Å; D53-L109 WeakPolarHBondContact OD1-CA 3.46Å; I106-L109 HydrophobicContact CD1-CD2 4.16Å; I106-L109 HydrophobicContact CG2-CD2 3.68Å; I106-L109 HydrophobicContact CG2-CG 4.12Å; L109-L111 HydrophobicContact CB-CD2 3.91Å; L109-L111 HydrophobicContact CB-CG 4.28Å; L109-L111 HydrophobicContact CD1-CD2 4.49Å; L109-L111 PolarHBondContact O-N 3.29Å; L109-L119 HydrophobicContact CD1-CD1 4.16Å; L109-L119 HydrophobicContact CD1-CD2 4.5Å
110K95.2Very high95.6Very high95 Ų9560.7 Ų60.741%0.41329%0.294SS..  trans-75.2102.3163179.8175.2177.5168.80109.2K51 D53 R115K51-K110 WeakPolarHBondContact O-CD 3.4Å; D53-K110 PolarHBondContact OD1-N 3.42Å; K110-R115 WeakPolarHBondContact O-CD 3.45Å
111L94.6Very high95.5Very high58 Ų5866 Ų6630%0.30431%0.311SS..  trans-89.7117.2-175-62.5173.2000111.9Y42 L109 L119Y42-L111 WeakPolarHBondContact OH-CD1 3.49Å; L109-L111 HydrophobicContact CB-CD2 3.91Å; L109-L111 HydrophobicContact CB-CG 4.28Å; L109-L111 HydrophobicContact CD1-CD2 4.49Å; L109-L111 PolarHBondContact O-N 3.29Å; L111-L119 HydrophobicContact CD2-CD1 3.82Å
112D94.7Very high95.4Very high49 Ų4969.2 Ų69.226%0.26233%0.325SS..  trans-117.1169.8167.4-52.1-35.2000108.8R50 D114 R115 R116R50-D112 IonicContact CZ-OD2 2.96Å; R50-D112 IonicContact NE-OD2 3.29Å; R50-D112 PolarHBondContact NE-OD2 3.25Å; R50-D112 IonicContact NH1-OD2 3.38Å; R50-D112 PolarHBondContact NH1-OD2 2.92Å; R50-D112 IonicContact NH2-OD2 3.02Å; R50-D112 PolarHBondContact NH2-OD2 3.33Å; D112-D114 VanDerWaalsContact C-N 3.33Å; D112-D114 PolarHBondContact O-N 2.9Å; D112-R115 PolarHBondContact O-N 3.32Å; D112-R116 PolarHBondContact O-N 2.86Å
113K96.4Very high95.3Very high184 Ų18467.3 Ų67.380%0.831%0.313SS*.Hα-helixtrans-47.5-50.8178.5-176.4179.2178.1178.90112.7R115 R116 S117K113-R115 VanDerWaalsContact C-N 3.28Å; K113-R115 PolarHBondContact O-N 2.94Å; K113-R116 PolarHBondContact O-N 2.8Å; K113-S117 PolarHBondContact O-N 3.42Å; K113-S117 VanDerWaalsContact O-N 3.08Å
114D95.2Very high95.1Very high116 Ų11667.7 Ų67.762%0.6232%0.323SS*.Hα-helixtrans-67.2-27.5-179.2-60.8-27.5000113.9D112 S117 L118D112-D114 VanDerWaalsContact C-N 3.33Å; D112-D114 PolarHBondContact O-N 2.9Å; D114-S117 WeakPolarHBondContact CA-OG 3.42Å; D114-S117 PolarHBondContact O-OG 2.97Å; D114-L118 VanDerWaalsContact O-CB 3.29Å; D114-L118 WeakPolarHBondContact O-CB 3.48Å; D114-L118 PolarHBondContact O-N 3.49Å
115R94.6Very high94.8Very high15 Ų1570.2 Ų70.26%0.05735%0.349CS..Hα-helixtrans-79.7-35.4-179.9-160.6179.7-178.684-18.5110.5M47 P48 D53 K110 D112 K113 L118 L119M47-R115 HydrophobicContact CE-CG 3.9Å; P48-R115 PolarHBondContact O-NH1 3.16Å; P48-R115 PolarHBondContact O-NH2 3.24Å; D53-R115 IonicContact OD1-CZ 3.66Å; D53-R115 IonicContact OD1-NE 3.64Å; D53-R115 IonicContact OD1-NH2 3.03Å; D53-R115 PolarHBondContact OD1-NH2 2.97Å; D53-R115 IonicContact OD2-CZ 3.75Å; D53-R115 IonicContact OD2-NH2 2.73Å; D53-R115 PolarHBondContact OD2-NH2 3.04Å; K110-R115 WeakPolarHBondContact O-CD 3.45Å; D112-R115 PolarHBondContact O-N 3.32Å; K113-R115 VanDerWaalsContact C-N 3.28Å; K113-R115 PolarHBondContact O-N 2.94Å; R115-L118 PolarHBondContact O-N 3.29Å; R115-L119 VanDerWaalsContact O-CG 3.29Å; R115-L119 WeakPolarHBondContact O-CG 3.48Å; R115-L119 PolarHBondContact O-N 3.35Å
116R95.3Very high94.3Very high142 Ų14273.7 Ų73.754%0.53636%0.362SS..Hα-helixtrans-62.2-50.8171-65.5-176.9-171.7-175.22.6110.5D112 K113 L118 L119 E120D112-R116 PolarHBondContact O-N 2.86Å; K113-R116 PolarHBondContact O-N 2.8Å; R116-L118 VanDerWaalsContact C-N 3.28Å; R116-L118 PolarHBondContact O-N 2.82Å; R116-L119 WeakPolarHBondContact O-CB 3.47Å; R116-L119 PolarHBondContact O-N 2.93Å; R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3Å
117S95.7Very high93.7Very high46 Ų4676.8 Ų76.832%0.32238%0.378SS..Hα-helixtrans-61.7-34177.270.90000113.1K113 D114 R121K113-S117 PolarHBondContact O-N 3.42Å; K113-S117 VanDerWaalsContact O-N 3.08Å; D114-S117 WeakPolarHBondContact CA-OG 3.42Å; D114-S117 PolarHBondContact O-OG 2.97Å; S117-R121 WeakPolarHBondContact O-CG 3.33Å; S117-R121 PolarHBondContact O-N 3.41Å; S117-R121 VanDerWaalsContact O-N 3.11Å
118L95.2Very high93.2Very high42 Ų4276.3 Ų76.322%0.2239%0.385CS..Hα-helixtrans-67.8-39172.8-178.463.1000112.7M47 D114 R115 R116 K122M47-L118 HydrophobicContact CE-CD2 3.79Å; M47-L118 HydrophobicContact CE-CG 4.11Å; D114-L118 VanDerWaalsContact O-CB 3.29Å; D114-L118 WeakPolarHBondContact O-CB 3.48Å; D114-L118 PolarHBondContact O-N 3.49Å; R115-L118 PolarHBondContact O-N 3.29Å; R116-L118 VanDerWaalsContact C-N 3.28Å; R116-L118 PolarHBondContact O-N 2.82Å; L118-K122 WeakPolarHBondContact O-CB 3.4Å; L118-K122 WeakPolarHBondContact O-CG 3.21Å; L118-K122 PolarHBondContact O-N 2.62Å; L118-K122 VanDerWaalsContact O-N 3.15Å
119L95.2Very high92.5Very high5 Ų572.4 Ų72.43%0.02638%0.379CS..Hα-helixtrans-66.1-47.4177-75.6165.6000110.8Y42 V44 M47 L109 L111 R115 R116 R121 K122 A123Y42-L119 HydrophobicContact CD1-CD1 3.95Å; Y42-L119 HydrophobicContact CE1-CD1 4.05Å; Y42-L119 HydrophobicContact CG-CD1 4.2Å; Y42-L119 HydrophobicContact CG-CD2 4.22Å; V44-L119 HydrophobicContact CB-CD2 4.37Å; V44-L119 HydrophobicContact CG2-CD2 4.24Å; M47-L119 HydrophobicContact CE-CD2 3.64Å; M47-L119 HydrophobicContact CE-CG 3.74Å; M47-L119 HydrophobicContact CG-CD2 3.81Å; M47-L119 HydrophobicContact SD-CD2 3.53Å; M47-L119 VanDerWaalsContact SD-CD2 3.53Å; M47-L119 HydrophobicContact SD-CG 4.25Å; L109-L119 HydrophobicContact CD1-CD1 4.16Å; L109-L119 HydrophobicContact CD1-CD2 4.5Å; L111-L119 HydrophobicContact CD2-CD1 3.82Å; R115-L119 VanDerWaalsContact O-CG 3.29Å; R115-L119 WeakPolarHBondContact O-CG 3.48Å; R115-L119 PolarHBondContact O-N 3.35Å; R116-L119 WeakPolarHBondContact O-CB 3.47Å; R116-L119 PolarHBondContact O-N 2.93Å; L119-R121 PolarHBondContact O-N 3.42Å; L119-K122 PolarHBondContact O-N 3.19Å; L119-A123 WeakPolarHBondContact O-CB 3.19Å; L119-A123 PolarHBondContact O-N 3.48Å
120E94.7Very high91.7Very high127 Ų12776.1 Ų76.159%0.59340%0.397SS*.Hα-helixtrans-57-50.5177.4-73161-163.800111.4R116 K122 A123 A124R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.02Å; E120-A123 PolarHBondContact O-N 3.19Å; E120-A123 VanDerWaalsContact O-N 3.16Å; E120-A124 WeakPolarHBondContact O-CB 3.33Å; E120-A124 PolarHBondContact O-N 2.99Å
121R94.8Very high90.7Very high172 Ų17276.5 Ų76.565%0.64940%0.403SS*.Hα-helixtrans-59.2-41.5176.7-73.7-171.2-57.1156.5-3113.1S117 L119 G125S117-R121 WeakPolarHBondContact O-CG 3.33Å; S117-R121 PolarHBondContact O-N 3.41Å; S117-R121 VanDerWaalsContact O-N 3.11Å; L119-R121 PolarHBondContact O-N 3.42Å; R121-G125 PolarHBondContact O-N 3.37Å
122K93.9Very high89.6Confident69 Ų6981.8 Ų81.830%0.342%0.424SS..Hα-helixtrans-69.2-36.1177.7-79.3-171.8174.4-1700112.2V44 S46 M47 L118 L119 E120 K126V44-K122 HydrophobicContact CG1-CB 4.22Å; V44-K122 HydrophobicContact CG1-CD 3.74Å; V44-K122 HydrophobicContact CG2-CB 3.54Å; V44-K122 HydrophobicContact CG2-CD 4.47Å; S46-K122 PolarHBondContact O-NZ 3.08Å; M47-K122 HydrophobicContact SD-CD 3.97Å; L118-K122 WeakPolarHBondContact O-CB 3.4Å; L118-K122 WeakPolarHBondContact O-CG 3.21Å; L118-K122 PolarHBondContact O-N 2.62Å; L118-K122 VanDerWaalsContact O-N 3.15Å; L119-K122 PolarHBondContact O-N 3.19Å; E120-K122 VanDerWaalsContact C-N 3.33Å; E120-K122 PolarHBondContact O-N 3.02Å; K122-K126 PolarHBondContact O-N 3.25Å
123A93.1Very high88.1Confident17 Ų1785.9 Ų85.914%0.1445%0.445CS..Hα-helixtrans-67.5-47.9176.900000110.8Y42 V44 L119 E120 G125 K126 L127Y42-A123 WeakPolarHBondContact O-CB 3.31Å; V44-A123 HydrophobicContact CG2-CB 4.37Å; L119-A123 WeakPolarHBondContact O-CB 3.19Å; L119-A123 PolarHBondContact O-N 3.48Å; E120-A123 PolarHBondContact O-N 3.19Å; E120-A123 VanDerWaalsContact O-N 3.16Å; A123-G125 PolarHBondContact O-N 3Å; A123-K126 WeakPolarHBondContact O-CB 3.44Å; A123-K126 PolarHBondContact O-N 3.47Å; A123-L127 WeakPolarHBondContact O-CG 3.14Å; A123-L127 PolarHBondContact O-N 3.19Å
124A92Very high86.7Confident56 Ų5683.6 Ų83.646%0.46344%0.435SS..Hα-helixtrans-56.7-47.2175.400000111.8E120 K126 L127 A128E120-A124 WeakPolarHBondContact O-CB 3.33Å; E120-A124 PolarHBondContact O-N 2.99Å; A124-K126 PolarHBondContact O-N 3.04Å; A124-L127 PolarHBondContact O-N 3.28Å; A124-A128 WeakPolarHBondContact O-CB 3.44Å; A124-A128 PolarHBondContact O-N 3.46Å
125G89.7Confident85.1Confident54 Ų5487 Ų8756%0.55744%0.441SS*.Hα-helixtrans-63.1-26.8176.900000114.2R121 A123R121-G125 PolarHBondContact O-N 3.37Å; A123-G125 PolarHBondContact O-N 3Å
126K86Confident83.8Confident99 Ų9989.8 Ų89.843%0.4346%0.46SS..Hα-helixtrans-78-45.4174.1-173-171.5177.7-164.60111.6K43 K122 A123 A124 G129 Q130K43-K126 WeakPolarHBondContact O-CD 3.41Å; K43-K126 PolarHBondContact O-NZ 3.22Å; K122-K126 PolarHBondContact O-N 3.25Å; A123-K126 WeakPolarHBondContact O-CB 3.44Å; A123-K126 PolarHBondContact O-N 3.47Å; A124-K126 PolarHBondContact O-N 3.04Å; K126-G129 PolarHBondContact O-N 3.14Å; K126-G129 VanDerWaalsContact O-N 3.09Å; K126-Q130 PolarHBondContact O-N 3.2Å
127L84.1Confident82.3Confident65 Ų6590.6 Ų90.634%0.3447%0.47SS..Hα-helixtrans-59.8-48.6179.3-70.7168.2000110.7K43 A123 A124 G129 Q130K43-L127 HydrophobicContact CD-CD1 4.5Å; K43-L127 HydrophobicContact CD-CD2 3.99Å; K43-L127 HydrophobicContact CD-CG 4.48Å; A123-L127 WeakPolarHBondContact O-CG 3.14Å; A123-L127 PolarHBondContact O-N 3.19Å; A124-L127 PolarHBondContact O-N 3.28Å; L127-G129 PolarHBondContact O-N 3.42Å; L127-Q130 WeakPolarHBondContact O-CB 3.47Å; L127-Q130 PolarHBondContact O-N 3.25Å
128A85.8Confident80.8Confident53 Ų5395.8 Ų95.844%0.43849%0.489SS..Hα-helixtrans-60.6-19.1175.800000114.1A124 K132A124-A128 WeakPolarHBondContact O-CB 3.44Å; A124-A128 PolarHBondContact O-N 3.46Å; A128-K132 WeakPolarHBondContact O-CD 3.44Å; A128-K132 WeakPolarHBondContact O-CE 3.38Å; A128-K132 WeakPolarHBondContact O-CG 3.27Å
129G81.4Confident79.3Confident40 Ų4097.7 Ų97.741%0.41250%0.502SS..Hα-helixtrans-87.1-19.8173.700000113.8K126 L127K126-G129 PolarHBondContact O-N 3.14Å; K126-G129 VanDerWaalsContact O-N 3.09Å; L127-G129 PolarHBondContact O-N 3.42Å
130Q77.3Confident77.9Confident95 Ų95103.1 Ų103.144%0.44453%0.53SS..Hα-helixtrans-76.4-31.4178.4-70-177.6-46.800112.1K126 L127K126-Q130 PolarHBondContact O-N 3.2Å; L127-Q130 WeakPolarHBondContact O-CB 3.47Å; L127-Q130 PolarHBondContact O-N 3.25Å
131D74.7Confident76.4Confident103 Ų103105.1 Ų105.155%0.55154%0.539SS*.Hα-helixtrans-82.9-26.4-177.1-56.6-35.1000112.4N133 K134D131-N133 PolarHBondContact O-N 2.89Å; D131-N133 VanDerWaalsContact O-N 3.07Å; D131-K134 PolarHBondContact O-N 2.85Å; D131-K134 IonicContact OD1-NZ 3.86Å
132K72.2Confident74.4Confident169 Ų169104.4 Ų104.474%0.73556%0.561SS**THydrogen-bonded Turntrans-63.2-17.7-177.1-75.2179.2-177.5-1660115.9A128A128-K132 WeakPolarHBondContact O-CD 3.44Å; A128-K132 WeakPolarHBondContact O-CE 3.38Å; A128-K132 WeakPolarHBondContact O-CG 3.27Å
133N63.5Low73.4Confident134 Ų134106.2 Ų106.272%0.71757%0.574SS**THydrogen-bonded Turntrans-122.611.5-174.9-66-1.8000112.8D131D131-N133 PolarHBondContact O-N 2.89Å; D131-N133 VanDerWaalsContact O-N 3.07Å
134K65.4Low72.4Confident136 Ų136110.9 Ų110.959%0.59160%0.597SS**  trans-94.5109.7172.2-70.2176.7-174.7170.20107.7D131D131-K134 PolarHBondContact O-N 2.85Å; D131-K134 IonicContact OD1-NZ 3.86Å
135Y63.5Low71.3Confident189 Ų189113.9 Ų113.974%0.74160%0.604SS**  trans-78.6117.5160-57.1-81.3000106
136T66.3Low70.2Confident73 Ų73117.5 Ų117.545%0.44861%0.607SS.*  trans-82.8156.4165.850.50000107.9E138 T139 I140T136-E138 PolarHBondContact O-N 2.81Å; T136-E138 VanDerWaalsContact O-N 3.17Å; T136-T139 PolarHBondContact N-OG1 3.2Å; T136-T139 VanDerWaalsContact N-OG1 3.09Å; T136-T139 WeakPolarHBondContact O-CA 3.2Å; T136-T139 PolarHBondContact O-N 2.81Å; T136-T139 PolarHBondContact O-OG1 3.31Å; T136-T139 VanDerWaalsContact O-OG1 3.11Å; T136-T139 PolarHBondContact OG1-OG1 3.08Å; T136-I140 PolarHBondContact O-N 2.89Å
137E64Low69.2Low159 Ų159118.6 Ų118.674%0.74362%0.618SS**Hα-helixtrans-53.5-37178.4-68.5174.5171.100110.9T139 I140 E141E137-T139 VanDerWaalsContact C-N 3.26Å; E137-T139 PolarHBondContact O-N 3Å; E137-I140 PolarHBondContact O-N 3.23Å; E137-E141 PolarHBondContact O-N 2.94Å; E137-E141 VanDerWaalsContact O-N 3.14Å
138E63.9Low68.2Low155 Ų155122.2 Ų122.272%0.72464%0.636SS**Hα-helixtrans-56.6-30.8171.8-59.8174.2171.700114.6T136 S142T136-E138 PolarHBondContact O-N 2.81Å; T136-E138 VanDerWaalsContact O-N 3.17Å; E138-S142 PolarHBondContact O-OG 3.22Å
139T64Low67Low82 Ų82127.1 Ų127.150%0.50365%0.651SS.*Hα-helixtrans-86.5-12.3177.5-4.50000113.4T136 E137T136-T139 PolarHBondContact N-OG1 3.2Å; T136-T139 VanDerWaalsContact N-OG1 3.09Å; T136-T139 WeakPolarHBondContact O-CA 3.2Å; T136-T139 PolarHBondContact O-N 2.81Å; T136-T139 PolarHBondContact O-OG1 3.31Å; T136-T139 VanDerWaalsContact O-OG1 3.11Å; T136-T139 PolarHBondContact OG1-OG1 3.08Å; E137-T139 VanDerWaalsContact C-N 3.26Å; E137-T139 PolarHBondContact O-N 3Å
140I64.9Low65.9Low119 Ų119133.8 Ų133.861%0.6167%0.669SS**Hα-helixtrans-93.7-27.5179.2-60.8172000110.4T136 E137T136-I140 PolarHBondContact O-N 2.89Å; E137-I140 PolarHBondContact O-N 3.23Å
141E63.9Low64.9Low169 Ų169137.1 Ų137.179%0.7969%0.688SS**  trans-88.5-1.7-179.5-66.7-179.5167.700114.5E137E137-E141 PolarHBondContact O-N 2.94Å; E137-E141 VanDerWaalsContact O-N 3.14Å
142S52.9Low64Low157 Ų157140.2 Ų140.2100%1.09870%0.7SS**  trans-103.60172.4-56.20000111.6E138E138-S142 PolarHBondContact O-OG 3.22Å

Retrieved 142 of 142 residues in 32.7 ms (Link to these results)

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