A0A087XP45_POEFO Loading...

PAN2-PAN3 deadenylation complex subunit PAN3

Decreases PAN2-mediated deadenylation, possibly by preventing progression into the second CCR4-NOT mediated stage of biphasic deadenylation. Has a significant effect on mRNA stability, generally stabilizing a subset of the transcriptome. Stabilizes mRNAs degraded by the AU-rich element (ARE)-mediated mRNA decay pathway but promotes degradation of mRNAs by the microRNA-mediated pathway. Its activity influences mRNP remodeling, specifically reducing formation of a subset of P-bodies containing GW220, an isoform of TNRC6A. Enhances PAN2 deadenylase activity and has an extensive effect on mRNA stability, generally enhancing mRNA decay across the transcriptome by multiple pathways, including the AU-rich element (ARE)-mediated pathway, microRNA-mediated pathway and the nonsense-mediated pathway (NMD). Its activity is required for efficient P-body formation. May be involved in regulating mRNAs of genes involved in cell cycle progression and cell proliferation. Regulatory subunit of the poly(A)-nuclease (PAN) deadenylation complex, one of two cytoplasmic mRNA deadenylases involved in general and miRNA-mediated mRNA turnover. PAN specifically shortens poly(A) tails of RNA and the activity is stimulated by poly(A)-binding protein (PABP). PAN deadenylation is followed by rapid degradation of the shortened mRNA tails by the CCR4-NOT complex. Deadenylated mRNAs are then degraded by two alternative mechanisms, namely exosome-mediated 3'-5' exonucleolytic degradation, or deadenlyation-dependent mRNA decaping and subsequent 5'-3' exonucleolytic degradation by XRN1. PAN3 acts as a positive regulator for PAN activity, recruiting the catalytic subunit PAN2 to mRNA via its interaction with RNA and PABP, and to miRNA targets via its interaction with GW182 family proteins. Regulatory subunit of the poly(A)-nuclease (PAN) deadenylation complex, one of two cytoplasmic mRNA deadenylases involved in general and miRNA-mediated mRNA turnover. PAN specifically shortens poly(A) tails of RNA and the activity is stimulated by poly(A)-binding protein (PABP). PAN deadenylation is followed by rapid degradation of the shortened mRNA tails by the CCR4-NOT complex. Deadenylated mRNAs are then degraded by two alternative mechanisms, namely exosome-mediated 3'-5' exonucleolytic degradation, or deadenylation-dependent mRNA decapping and subsequent 5'-3' exonucleolytic degradation by XRN1. PAN3 acts as a regulator for PAN activity, recruiting the catalytic subunit PAN2 to mRNA via its interaction with RNA and PABP, and to miRNA targets via its interaction with GW182 family proteins.

AlphaFold DB , UniProt , Accession A0A087XP45, Species POEFO (Poecilia formosa, Amazon molly), Gene PAN3, Length 792 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M30.1Very low28.6Very low245 Ų245131 Ų131100%1.20785%0.849SS**  0161.20-78.7169.5162.400108.8
2N25.9Very low28.5Very low156 Ų156135.3 Ų135.383%0.83486%0.857SS**  trans-54.3162.2167.6-75.80.3000111.6
3S27.5Very low28.2Very low116 Ų116130.7 Ų130.781%0.81185%0.852SS**  cis-174.11702.932.80000110
4G26.7Very low28.1Very low76 Ų76127.7 Ų127.778%0.78486%0.856SS**  trans123.6113.1143.900000117.6
5L24Very low28.2Very low168 Ų168125.5 Ų125.588%0.8885%0.852SS**  trans-100.8173.2153.9-68166.1000108
6P47.9Very low28.1Very low111 Ų111122.9 Ų122.972%0.72185%0.853SS**  -129.7-174.1-62.239.2-24.1000110.4
7P25.9Very low28.4Very low132 Ų132124.7 Ų124.786%0.85785%0.849SS**  trans-135.9164.4141.236.1-23.8000114
8S24.4Very low28.7Very low124 Ų124124.1 Ų124.187%0.86784%0.843SS**  trans-110.7141.1179.9179.10000111.7
9A24.7Very low29.1Very low101 Ų101123.9 Ų123.984%0.83584%0.842SS**  trans-154.8149.4159.400000109.7
10A25.7Very low29.6Very low93 Ų93124.3 Ų124.377%0.76984%0.84SS**  trans-122.9-159-179.500000109.1
11P32.1Very low30.5Very low119 Ų119127.2 Ų127.277%0.77384%0.838SS**  cis-126.5162.5-29.737-23.4000112.6
12L26.9Very low31.7Very low182 Ų182120 Ų12095%0.95381%0.808SS**  trans-155.2146.3162.9-102.8-179.4000112.6
13G25Very low33.8Very low76 Ų76119.4 Ų119.478%0.78480%0.798SS**  trans71.1108.4158.300000117.2
14G26.3Very low36.3Very low89 Ų89119.6 Ų119.692%0.91879%0.785SS**  trans-85145.4173.800000113.9
15A29.3Very low38.9Very low95 Ų95116.7 Ų116.779%0.78575%0.752SS**  trans-127.6139158.800000108.5
16G27.8Very low41.6Very low84 Ų84119.7 Ų119.787%0.86675%0.751SS**PPolyproline II helixtrans-72.6127.8-170.400000113.6
17I32.7Very low43Very low153 Ų153121 Ų12179%0.78574%0.743SS**PPolyproline II helixtrans-100.2135.8171.4-57.1171.3000108.3
18P34.5Very low45.7Very low114 Ų114117.4 Ų117.474%0.7471%0.713SS**PPolyproline II helixtrans-59.3142.1180-2534.8000113.4V20P18-V20 PolarHBondContact O-N 3.43Å
19S35.8Very low48.1Very low120 Ų120113.3 Ų113.384%0.83969%0.687SS**  trans-63.4104.6-177-52.10000112.7K21S19-K21 PolarHBondContact O-N 2.8Å; S19-K21 VanDerWaalsContact O-N 3.12Å
20V39.1Very low50.3Low131 Ų131117.2 Ų117.279%0.79469%0.685SS**  trans-66.4108.7167.7-179.50000108.5P18 V22P18-V20 PolarHBondContact O-N 3.43Å; V20-V22 PolarHBondContact O-N 2.9Å; V20-V22 VanDerWaalsContact O-N 3.12Å
21K47.5Very low52.6Low186 Ų186118 Ų11881%0.80968%0.676SS**  trans-68108.9173.2-72.8-174.1176.8-178.30109.5S19S19-K21 PolarHBondContact O-N 2.8Å; S19-K21 VanDerWaalsContact O-N 3.12Å
22V55.8Low54.6Low93 Ų93118.2 Ų118.256%0.56467%0.665SS**  trans-55.9136.7168.2-175.90000108.8V20 L43V20-V22 PolarHBondContact O-N 2.9Å; V20-V22 VanDerWaalsContact O-N 3.12Å; V22-L43 HydrophobicContact CG1-CB 4.22Å; V22-L43 HydrophobicContact CG1-CD1 4.41Å; V22-L43 HydrophobicContact CG1-CD2 4.31Å
23K71.2Confident57Low144 Ų144113.3 Ų113.363%0.62664%0.642SS**  trans-112.6124.8179.8-72.1177.2-178.9175.40109.5F42 L43K23-F42 HydrophobicContact CB-CD1 3.65Å; K23-F42 HydrophobicContact CB-CE1 3.92Å; K23-F42 HydrophobicContact CD-CE1 4.02Å; K23-L43 PolarHBondContact O-N 2.64Å
24F79.6Confident59.7Low121 Ų121110.7 Ų110.753%0.53161%0.612SS.*BIsolated β-bridgetrans-81.6149176-61.4-82.6000111.2R26 L43 E45F24-R26 PolarHBondContact O-N 2.83Å; F24-L43 WeakPolarHBondContact CA-O 3.41Å; F24-L43 HydrophobicContact CD1-CB 3.87Å; F24-L43 HydrophobicContact CD1-CD2 4.37Å; F24-L43 HydrophobicContact CE1-CB 4.19Å; F24-L43 HydrophobicContact CE1-CD2 3.86Å; F24-E45 HydrophobicContact CD1-CB 4.32Å; F24-E45 HydrophobicContact CE1-CB 4.27Å; F24-E45 WeakPolarHBondContact CE1-OE2 3.42Å
25C81.4Confident62Low14 Ų14114.3 Ų114.310%0.09560%0.603CS.*  trans-72.9120.2178.9-173.60000111Y27 Y28 C34 C40 F42 L43 H44C25-Y27 PolarHBondContact O-N 3.43Å; C25-Y27 PolarHBondContact SG-N 2.98Å; C25-Y27 VanDerWaalsContact SG-N 3.36Å; C25-Y28 PolarHBondContact O-N 3.15Å; C25-C34 VanDerWaalsContact SG-SG 3.62Å; C25-C40 PolarHBondContact SG-SG 3.15Å; C25-F42 HydrophobicContact CB-CB 3.81Å; C25-L43 PolarHBondContact N-O 3.17Å; C25-H44 VanDerWaalsContact CB-CD2 3.44Å; C25-H44 WeakPolarHBondContact CB-CD2 3.28Å
26R80.4Confident64.1Low231 Ų231115.4 Ų115.487%0.87259%0.587SS**THydrogen-bonded Turntrans-71.2-9.5175.3-169.9168.9179.6164.51.4113.6F24F24-R26 PolarHBondContact O-N 2.83Å
27Y76.1Confident66.4Low139 Ų139113 Ų11355%0.54556%0.563SS.*THydrogen-bonded Turntrans-112.212.3-176.6-55.2-82.8000113.1C25 Y36C25-Y27 PolarHBondContact O-N 3.43Å; C25-Y27 PolarHBondContact SG-N 2.98Å; C25-Y27 VanDerWaalsContact SG-N 3.36Å; Y27-Y36 HydrophobicContact CD2-CD2 4.38Å; Y27-Y36 AromaticContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CE2-CE2 4.19Å; Y27-Y36 HydrophobicContact CG-CE2 4.05Å
28Y83.4Confident68.2Low56 Ų56114.1 Ų114.122%0.2257%0.57CS.*BIsolated β-bridgetrans-83.2119.9170.2-167.2-121.1000109.7C25 K32 T33 C34 H44C25-Y28 PolarHBondContact O-N 3.15Å; Y28-K32 HydrophobicContact CE2-CB 4.46Å; Y28-K32 VanDerWaalsContact CE2-O 3.24Å; Y28-K32 WeakPolarHBondContact CE2-O 3.23Å; Y28-K32 WeakPolarHBondContact OH-CB 3.25Å; Y28-T33 WeakPolarHBondContact CA-O 3.42Å; Y28-T33 WeakPolarHBondContact CD2-O 3.31Å; Y28-C34 HydrophobicContact CD2-CB 4.12Å; Y28-H44 HydrophobicContact CD1-CB 4.1Å; Y28-H44 HydrophobicContact CD2-CB 3.81Å; Y28-H44 AromaticContact CD2-CD2 3.63Å; Y28-H44 AromaticContact CD2-CG 3.53Å; Y28-H44 AromaticContact CD2-ND1 3.96Å; Y28-H44 HydrophobicContact CE1-CB 4.01Å; Y28-H44 HydrophobicContact CE2-CB 3.71Å; Y28-H44 AromaticContact CE2-CG 3.75Å; Y28-H44 HydrophobicContact CG-CB 4Å; Y28-H44 AromaticContact CG-CD2 3.84Å; Y28-H44 AromaticContact CG-CG 3.98Å
29A74.8Confident69.8Low39 Ų39117.3 Ų117.332%0.32258%0.575SS.*  trans-94.6161.5-175.900000112.1D31 K32 T33A29-D31 VanDerWaalsContact CB-OD1 3.27Å; A29-D31 WeakPolarHBondContact CB-OD1 3.34Å; A29-D31 PolarHBondContact O-N 3.47Å; A29-D31 VanDerWaalsContact O-N 3.14Å; A29-K32 PolarHBondContact O-N 3.12Å; A29-T33 PolarHBondContact N-O 3.46Å
30K71.4Confident71.9Confident182 Ų182112.8 Ų112.879%0.79154%0.543SS*.THydrogen-bonded Turntrans-68.3-9.4-177-67.8-171.5176.8-1740114.5K32 P47K30-K32 VanDerWaalsContact C-N 3.28Å; K30-P47 HydrophobicContact CG-CG 4.09Å
31D74.1Confident73.7Confident110 Ų110115.4 Ų115.459%0.58855%0.547SS*.THydrogen-bonded Turntrans-89.77.2171.257.715.7000112.7A29 T33A29-D31 VanDerWaalsContact CB-OD1 3.27Å; A29-D31 WeakPolarHBondContact CB-OD1 3.34Å; A29-D31 PolarHBondContact O-N 3.47Å; A29-D31 VanDerWaalsContact O-N 3.14Å; D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.96Å; D31-T33 WeakPolarHBondContact OD1-CB 3.28Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.4Å; D31-T33 PolarHBondContact OD1-N 3.08Å; D31-T33 PolarHBondContact OD1-OG1 3.12Å
32K72.7Confident75.3Confident124 Ų124111.4 Ų111.454%0.53953%0.53SS..SBendtrans69.616.4-178-50.4-161.2-175.6-151.40115.2Y28 A29 K30 D46Y28-K32 HydrophobicContact CE2-CB 4.46Å; Y28-K32 VanDerWaalsContact CE2-O 3.24Å; Y28-K32 WeakPolarHBondContact CE2-O 3.23Å; Y28-K32 WeakPolarHBondContact OH-CB 3.25Å; A29-K32 PolarHBondContact O-N 3.12Å; K30-K32 VanDerWaalsContact C-N 3.28Å; K32-D46 VanDerWaalsContact CE-OD1 3.31Å; K32-D46 WeakPolarHBondContact CE-OD1 3.33Å; K32-D46 VanDerWaalsContact CE-OD2 3.3Å; K32-D46 WeakPolarHBondContact CE-OD2 3.46Å; K32-D46 IonicContact NZ-OD1 3.19Å; K32-D46 IonicContact NZ-OD2 2.74Å; K32-D46 PolarHBondContact NZ-OD2 3.01Å
33T77.2Confident76.4Confident78 Ų78111.3 Ų111.348%0.47953%0.526SS..  trans-88.3148.8171.768.10000111.9Y28 A29 D31Y28-T33 WeakPolarHBondContact CA-O 3.42Å; Y28-T33 WeakPolarHBondContact CD2-O 3.31Å; A29-T33 PolarHBondContact N-O 3.46Å; D31-T33 VanDerWaalsContact C-N 3.28Å; D31-T33 PolarHBondContact O-N 2.96Å; D31-T33 WeakPolarHBondContact OD1-CB 3.28Å; D31-T33 WeakPolarHBondContact OD1-CG2 3.4Å; D31-T33 PolarHBondContact OD1-N 3.08Å; D31-T33 PolarHBondContact OD1-OG1 3.12Å
34C83.3Confident77Confident21 Ų21107.7 Ų107.714%0.14251%0.511CS..BIsolated β-bridgetrans-122.8137.3167.2-175.50000109C25 Y28 Y36 G37 H44C25-C34 VanDerWaalsContact SG-SG 3.62Å; Y28-C34 HydrophobicContact CD2-CB 4.12Å; C34-Y36 PolarHBondContact O-N 3.16Å; C34-Y36 VanDerWaalsContact O-N 3.12Å; C34-Y36 PolarHBondContact SG-N 3.18Å; C34-G37 PolarHBondContact O-N 3.13Å; C34-H44 VanDerWaalsContact CB-CE1 3.42Å; C34-H44 WeakPolarHBondContact CB-CE1 3.33Å; C34-H44 WeakPolarHBondContact CB-NE2 3.39Å; C34-H44 PolarHBondContact SG-NE2 2.89Å
35F73.1Confident76.6Confident165 Ų165107.4 Ų107.472%0.72451%0.511SS*.THydrogen-bonded Turntrans-57.6-25.7175.4-175.2-95.3000113.5
36Y74.5Confident75.4Confident119 Ų119109.2 Ų109.247%0.46752%0.52SS..THydrogen-bonded Turntrans-101.66.3179.7-60.5-78.1000113.9Y27 C34 E39Y27-Y36 HydrophobicContact CD2-CD2 4.38Å; Y27-Y36 AromaticContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CD2-CE2 3.75Å; Y27-Y36 HydrophobicContact CE2-CE2 4.19Å; Y27-Y36 HydrophobicContact CG-CE2 4.05Å; C34-Y36 PolarHBondContact O-N 3.16Å; C34-Y36 VanDerWaalsContact O-N 3.12Å; C34-Y36 PolarHBondContact SG-N 3.18Å; Y36-E39 PolarHBondContact O-N 3.08Å
37G75.9Confident74Confident34 Ų34102.9 Ų102.935%0.35151%0.509SS..G310 helixtrans52.3-139.1179.500000113.7C34 E39C34-G37 PolarHBondContact O-N 3.13Å; G37-E39 VanDerWaalsContact C-N 3.3Å; G37-E39 PolarHBondContact O-N 3.46Å
38D70.4Confident72.7Confident176 Ų176101 Ų10194%0.94152%0.516SS*.G310 helixtrans-77.8-10.2-178.7-58.8-42.5000113.8C40D38-C40 PolarHBondContact O-N 3.13Å
39E68.3Low70.7Confident181 Ų181105.9 Ų105.985%0.84654%0.543SS*.G310 helixtrans-833.5174.7-60.9-161.5141.600112.9Y36 G37 Q41Y36-E39 PolarHBondContact O-N 3.08Å; G37-E39 VanDerWaalsContact C-N 3.3Å; G37-E39 PolarHBondContact O-N 3.46Å; E39-Q41 PolarHBondContact O-N 3.11Å
40C79.3Confident69.1Low25 Ų25108.2 Ų108.217%0.16957%0.57CS.*  trans-73.1116.6-177.7-156.90000112.7C25 D38 F42C25-C40 PolarHBondContact SG-SG 3.15Å; D38-C40 PolarHBondContact O-N 3.13Å; C40-F42 PolarHBondContact O-N 2.79Å; C40-F42 VanDerWaalsContact O-N 3.12Å
41Q77.8Confident67.5Low185 Ų185104.6 Ų104.686%0.86457%0.568SS**  trans-79.316.2-180-58.1-179.12.100114.2E39E39-Q41 PolarHBondContact O-N 3.11Å
42F80.8Confident65.4Low103 Ų103108.2 Ų108.245%0.45258%0.583SS.*SBendtrans-129146.7-175.6-63.3-67.9000110.8K23 C25 C40 H44K23-F42 HydrophobicContact CB-CD1 3.65Å; K23-F42 HydrophobicContact CB-CE1 3.92Å; K23-F42 HydrophobicContact CD-CE1 4.02Å; C25-F42 HydrophobicContact CB-CB 3.81Å; C40-F42 PolarHBondContact O-N 2.79Å; C40-F42 VanDerWaalsContact O-N 3.12Å; F42-H44 PolarHBondContact O-N 3.28Å
43L78.1Confident63.5Low91 Ų91108 Ų10848%0.47660%0.598SS.*BIsolated β-bridgetrans-68.1135.3-170.9-137.881.5000112.2V22 K23 F24 C25V22-L43 HydrophobicContact CG1-CB 4.22Å; V22-L43 HydrophobicContact CG1-CD1 4.41Å; V22-L43 HydrophobicContact CG1-CD2 4.31Å; K23-L43 PolarHBondContact O-N 2.64Å; F24-L43 WeakPolarHBondContact CA-O 3.41Å; F24-L43 HydrophobicContact CD1-CB 3.87Å; F24-L43 HydrophobicContact CD1-CD2 4.37Å; F24-L43 HydrophobicContact CE1-CB 4.19Å; F24-L43 HydrophobicContact CE1-CD2 3.86Å; C25-L43 PolarHBondContact N-O 3.17Å
44H84.9Confident61Low67 Ų67112.3 Ų112.331%0.3162%0.616SS.*  trans-99.8118.2173.4-65.9161000109.5C25 Y28 C34 F42C25-H44 VanDerWaalsContact CB-CD2 3.44Å; C25-H44 WeakPolarHBondContact CB-CD2 3.28Å; Y28-H44 HydrophobicContact CD1-CB 4.1Å; Y28-H44 HydrophobicContact CD2-CB 3.81Å; Y28-H44 AromaticContact CD2-CD2 3.63Å; Y28-H44 AromaticContact CD2-CG 3.53Å; Y28-H44 AromaticContact CD2-ND1 3.96Å; Y28-H44 HydrophobicContact CE1-CB 4.01Å; Y28-H44 HydrophobicContact CE2-CB 3.71Å; Y28-H44 AromaticContact CE2-CG 3.75Å; Y28-H44 HydrophobicContact CG-CB 4Å; Y28-H44 AromaticContact CG-CD2 3.84Å; Y28-H44 AromaticContact CG-CG 3.98Å; C34-H44 VanDerWaalsContact CB-CE1 3.42Å; C34-H44 WeakPolarHBondContact CB-CE1 3.33Å; C34-H44 WeakPolarHBondContact CB-NE2 3.39Å; C34-H44 PolarHBondContact SG-NE2 2.89Å; F42-H44 PolarHBondContact O-N 3.28Å
45E71.7Confident58.4Low116 Ų116120.7 Ų120.754%0.54265%0.653SS.*  trans-144.3143.6180-172.2168.5-147.500110.3F24F24-E45 HydrophobicContact CD1-CB 4.32Å; F24-E45 HydrophobicContact CE1-CB 4.27Å; F24-E45 WeakPolarHBondContact CE1-OE2 3.42Å
46D55.4Low56.2Low52 Ų52115.8 Ų115.828%0.27865%0.649SS.*  trans-70.9123.7-178.8-83.2-55.8000111.4K32 S48K32-D46 VanDerWaalsContact CE-OD1 3.31Å; K32-D46 WeakPolarHBondContact CE-OD1 3.33Å; K32-D46 VanDerWaalsContact CE-OD2 3.3Å; K32-D46 WeakPolarHBondContact CE-OD2 3.46Å; K32-D46 IonicContact NZ-OD1 3.19Å; K32-D46 IonicContact NZ-OD2 2.74Å; K32-D46 PolarHBondContact NZ-OD2 3.01Å; D46-S48 PolarHBondContact O-N 3.21Å
47P50.3Low53.9Low98 Ų98114 Ų11464%0.63667%0.666SS**THydrogen-bonded Turntrans-74.822.9-17631.5-36.8000114.5K30K30-P47 HydrophobicContact CG-CG 4.09Å
48S48.8Very low51.6Low99 Ų99116.6 Ų116.669%0.69269%0.693SS**THydrogen-bonded Turntrans-105.1-11.9178.151.20000114.1D46D46-S48 PolarHBondContact O-N 3.21Å
49M42.7Very low49.4Very low159 Ų159112.1 Ų112.178%0.78369%0.689SS**SBendtrans-98.71.4-174.2-72.8-75.8-81.800114.9S51M49-S51 VanDerWaalsContact C-N 3.26Å; M49-S51 PolarHBondContact O-N 3Å
50G40.2Very low47.5Very low87 Ų87109 Ų10990%0.89769%0.687SS**  trans-78.221.9-171.900000117.3
51S38.4Very low46.1Very low106 Ų106112.8 Ų112.874%0.74171%0.712SS**  trans-140.557.3-168.1-175.70000115M49M49-S51 VanDerWaalsContact C-N 3.26Å; M49-S51 PolarHBondContact O-N 3Å
52M30Very low43.9Very low187 Ų187110 Ų11092%0.92171%0.707SS**  trans-134.2125.7158.1-73-64.2-98.700109.6
53S31.6Very low42.1Very low120 Ų120109.7 Ų109.784%0.83972%0.715SS**  trans-86.3154-179.9-610000111.6
54L26.1Very low39.8Very low167 Ų167112.9 Ų112.987%0.87473%0.732SS**  trans-140.3127.2152.1-146.681.5000112.1
55H27.5Very low37.9Very low198 Ų198114.4 Ų114.492%0.91775%0.748SS**  trans-121.1134.2166-154.7-55.7000106.1
56G26.8Very low35.7Very low62 Ų62117.6 Ų117.664%0.63977%0.765SS**  trans113.6149.2-175.300000112.7
57G26.6Very low34.5Very low80 Ų80119 Ų11983%0.82578%0.784SS**  trans-141.4-178.3-175.900000112.5
58G28.2Very low33.3Very low89 Ų89118.5 Ų118.592%0.91880%0.796SS**  trans93.7106.4-177.900000112.5
59G24.7Very low32.2Very low83 Ų83117.6 Ų117.686%0.85680%0.803SS**  trans152.8133.217700000112.8
60S27.5Very low31.3Very low114 Ų114114.4 Ų114.480%0.79781%0.81SS**  trans-164156.5-179-157.30000107.2
61P49.5Very low30.5Very low106 Ų106114 Ų11469%0.68881%0.807SS**  cis-135.1-159.7-21.321.34.5000112.9
62V32.4Very low29.8Very low126 Ų126115.6 Ų115.676%0.76481%0.812SS**  trans82.4146.1153-158.40000115.7
63P43.6Very low30.6Very low96 Ų96112 Ų11262%0.62380%0.803SS**  -147.8171.2-51.746.4-29.4000117.9
64L28.2Very low30.5Very low158 Ų158111.2 Ų111.283%0.82780%0.804SS**  trans57.5174.7138.4-69.9166.7000121.3
65P46.1Very low30.4Very low100 Ų100106.5 Ų106.565%0.64980%0.795SS**  cis-140.2-176.2-46.940.1-23.6000116.4
66M26Very low30.3Very low183 Ų183108.3 Ų108.390%0.90180%0.795SS**  trans75164.9153-63.8-122.7120.400120.5
67A29.3Very low30.2Very low81 Ų81110.1 Ų110.167%0.66980%0.798SS**  cis-176.1149.7-42.200000111.9
68G25.8Very low30.2Very low87 Ų87115 Ų11590%0.89780%0.804SS**  trans82.3161.9165.100000117.3
69G24.8Very low30Very low81 Ų81114.2 Ų114.284%0.83580%0.797SS**  cis160.4120.6-13.900000116.2
70G23.6Very low30.1Very low91 Ų91113.7 Ų113.794%0.93879%0.792SS**  trans87.6151.4158.700000119.1
71G23.4Very low30Very low80 Ų80115 Ų11583%0.82580%0.795SS**  trans141.5120.8166.400000116.8
72T24.5Very low28.9Very low138 Ų138114.1 Ų114.185%0.84780%0.796SS**  trans-136.3177.6176.946.80000109.5
73P46.7Very low28.6Very low113 Ų113114.6 Ų114.673%0.73480%0.799SS**  cis-137.9-178.7-40.537.3-19.6000115.4
74A28.6Very low27.8Very low103 Ų103116.1 Ų116.185%0.85181%0.807SS**  trans70149.8144.400000123.7
75G24.5Very low27.6Very low67 Ų67114.2 Ų114.269%0.69181%0.806SS**  trans161.481.4158.600000122.6
76Y25.3Very low27.5Very low236 Ų236115.6 Ų115.693%0.92581%0.814SS**  trans64.2-173.6142.2-62.4-72.7000123.8
77S24.7Very low27.5Very low101 Ų101110.6 Ų110.671%0.70681%0.81SS**  trans-143.6-169.2-139.5-42.10000116.4
78L27.1Very low27.3Very low181 Ų181111.1 Ų111.195%0.94882%0.823SS**  trans86.2152.6171.4-59.7121.2000117.4
79G24Very low27.2Very low74 Ų74110.9 Ų110.976%0.76382%0.82SS**  cis164147.5-1200000115.7
80G25.7Very low27.3Very low72 Ų72110.2 Ų110.274%0.74281%0.814SS**  trans81.4170166.300000118.7
81T26.7Very low27.5Very low142 Ų142113 Ų11387%0.87181%0.813SS**  cis-169.6143.8-22.51.50000114.1
82A26.9Very low27.7Very low86 Ų86112.7 Ų112.771%0.71181%0.81SS**  trans72.1166.414300000124.7
83T25.7Very low27.9Very low136 Ų136112.9 Ų112.983%0.83481%0.81SS**  trans84.8160.4170.8720000120.2
84V26.7Very low27Very low128 Ų128112.4 Ų112.478%0.77681%0.809SS**  -173.1123.7-86.5151.30000112.5
85C22.8Very low27Very low119 Ų119117 Ų11780%0.80481%0.81SS**  trans58.9176.1154.6-73.80000120.7
86P44.8Very low27.2Very low128 Ų128120.9 Ų120.983%0.83181%0.808SS**  cis-134.4177.4-25.128.7-7.9000115.7
87G25Very low27.1Very low79 Ų79114.9 Ų114.981%0.81480%0.801SS**  132115.9129.500000122.2
88G25.5Very low27.2Very low91 Ų91117 Ų11794%0.93880%0.8SS**  trans83.2151.7152.500000118.9
89G24.9Very low27.2Very low82 Ų82112.7 Ų112.785%0.84579%0.79SS**  cis166.4138.1-10.800000114.5
90G26.6Very low27.3Very low68 Ų68117.5 Ų117.570%0.70180%0.798SS**  trans105.6129.2173.600000114.5
91T26.9Very low27.2Very low150 Ų150116.9 Ų116.992%0.9279%0.791SS**  cis100.5111.420.168.30000116.2
92G27.8Very low27.8Very low73 Ų73115.2 Ų115.275%0.75378%0.783SS**  trans-173.1135.5170.100000112.8
93V28.5Very low27.8Very low142 Ų142117.7 Ų117.786%0.86179%0.789SS**  trans-161.8164.5-166.3-1210000110.4
94S28.3Very low27.8Very low102 Ų102114.6 Ų114.671%0.71378%0.784SS**  cis-160.5177.83.1-163.90000111.3
95K28.2Very low27.8Very low200 Ų200115.3 Ų115.387%0.8779%0.789SS**  trans119.9123.6163.8-69.3168180178.80113.2
96K28Very low27.9Very low148 Ų148114.3 Ų114.364%0.64379%0.789SS**  cis99.2107.514.8-158.2-145-170-150.30116.3E98K96-E98 WeakPolarHBondContact CE-OE1 3.4Å; K96-E98 VanDerWaalsContact CE-OE2 3.26Å; K96-E98 WeakPolarHBondContact CE-OE2 3.35Å; K96-E98 IonicContact NZ-OE1 3.11Å; K96-E98 PolarHBondContact NZ-OE1 3.15Å; K96-E98 IonicContact NZ-OE2 2.78Å; K96-E98 PolarHBondContact NZ-OE2 2.7Å
97S24.9Very low26.9Very low111 Ų111116.9 Ų116.978%0.77680%0.795SS**  trans-162124.7136.8-76.10000105.4
98E26.1Very low26.9Very low145 Ų145121.2 Ų121.268%0.67879%0.794SS**  61.7126.160-76.1172.1161.900113.6K96K96-E98 WeakPolarHBondContact CE-OE1 3.4Å; K96-E98 VanDerWaalsContact CE-OE2 3.26Å; K96-E98 WeakPolarHBondContact CE-OE2 3.35Å; K96-E98 IonicContact NZ-OE1 3.11Å; K96-E98 PolarHBondContact NZ-OE1 3.15Å; K96-E98 IonicContact NZ-OE2 2.78Å; K96-E98 PolarHBondContact NZ-OE2 2.7Å
99A26.8Very low26.9Very low91 Ų91120.6 Ų120.675%0.75279%0.788SS**  cis-150.4-173.91.400000110.3
100L26.3Very low26.8Very low175 Ų175124.3 Ų124.392%0.91678%0.783SS**  cis-150.4-128.112-147.4170.2000110.6
101G22.9Very low26.6Very low59 Ų59127.4 Ų127.461%0.60878%0.783SS**  trans-155.3-151.6177.700000110.4
102P40.2Very low26.4Very low106 Ų106128.3 Ų128.369%0.68878%0.781SS**  cis-143.2165.832.442.2-24.1000118.3
103T27.7Very low26.1Very low139 Ų139129.5 Ų129.585%0.85377%0.774SS**  trans50.4143.1147.752.80000121.3
104G25.8Very low25.9Very low70 Ų70130.2 Ų130.272%0.72277%0.771SS**  cis171.9177.33.700000107.6
105T26.1Very low26.1Very low143 Ų143131.3 Ų131.388%0.87778%0.776SS**  cis-149.5157.72.244.90000108.9
106A23.6Very low25.9Very low98 Ų98125.1 Ų125.181%0.8177%0.769SS**  trans-83.7163.317600000113.3
107L25.5Very low25.6Very low182 Ų182126.3 Ų126.395%0.95378%0.779SS**  trans-151.4160.6145.6-111.9174.6000110.2
108E23.9Very low25.5Very low171 Ų171129.5 Ų129.580%0.79978%0.781SS**  trans-123.9151.6-160.1-172.9170.9-158.700111.4
109G25.5Very low25.3Very low78 Ų78126 Ų12680%0.80478%0.784SS**  trans-162.6117.4179.900000112.4
110Q23.3Very low25.5Very low160 Ų160127.6 Ų127.675%0.74879%0.787SS**  trans-108.4152.4-170.2-84.9-174.7-25.400114.1
111L22.5Very low25.3Very low132 Ų132123.7 Ų123.769%0.69178%0.78SS**  trans50.1131.6151.3-87.577.1000120.5
112L23.6Very low25.4Very low169 Ų169129 Ų12989%0.88579%0.793SS**  -168.9165100-97.7170.3000111.6
113T21.5Very low24.6Very low99 Ų99131.6 Ų131.661%0.60780%0.801SS**  trans-150.1112.6-147-48.90000115.3
114I23.4Very low24.5Very low156 Ų156133.1 Ų133.180%0.880%0.804SS**  trans66.9170.7147.4-67.8175.4000115.4
115P32.1Very low24.4Very low126 Ų126133.9 Ų133.982%0.81880%0.804SS**  cis-124.8177.2-9.722.70.5000117
116G24Very low24.3Very low69 Ų69134.9 Ų134.971%0.71180%0.804SS**  trans147.193.8130.900000121.2
117M22.7Very low24.5Very low174 Ų174138 Ų13886%0.85781%0.806SS**  trans58.9149.4145.2-80.6170.765.500120.1
118E22.8Very low24.6Very low177 Ų177134.9 Ų134.983%0.82780%0.795SS**  cis-132.5-175.96.7-62.4-172.7137.300112.2
119G22.1Very low24.6Very low72 Ų72134.4 Ų134.474%0.74280%0.798SS**  trans-114.3-151.3176.200000113.4
120P30.1Very low24.7Very low125 Ų125134.4 Ų134.481%0.81279%0.786SS**  cis-137.1-179.4-4.343.7-27.2000115.9
121A22.1Very low24.7Very low93 Ų93137.2 Ų137.277%0.76979%0.791SS**  trans65157160.900000117.6
122L25.1Very low24.8Very low169 Ų169140.5 Ų140.589%0.88580%0.8SS**  cis-137.1166.121.7-79.9162.4000112.8
123N24Very low24.9Very low161 Ų161137.7 Ų137.786%0.86179%0.794SS**  trans-85.5154.1164.3-74.3-35.1000111
124D24.3Very low25.2Very low171 Ų171138.1 Ų138.191%0.91480%0.802SS**  trans-132.2132.4155-123.8-31.6000110.1
125A25.3Very low25.3Very low86 Ų86136.1 Ų136.171%0.71180%0.801SS**  trans-109.5144.4-177.200000110.1
126N23.7Very low25.1Very low164 Ų164139.7 Ų139.788%0.87780%0.804SS**  trans-117.2137.2178.1-126.6-45.4000111.4
127L26.3Very low25.4Very low163 Ų163143 Ų14385%0.85381%0.805SS**  trans-86.7143.9-159-64.891.6000113.6
128T28.5Very low25.5Very low117 Ų117137.8 Ų137.872%0.71880%0.795SS**  trans-96.2123.3172.3460000111.6S130T128-S130 PolarHBondContact O-N 2.84Å; T128-S130 VanDerWaalsContact O-N 3.08Å; T128-S130 PolarHBondContact O-OG 3.17Å
129N24.8Very low25.7Very low162 Ų162135.9 Ų135.987%0.86680%0.795SS**  trans-60.4112174.9-81.1-39000111
130S26.2Very low26Very low78 Ų78139.7 Ų139.755%0.54580%0.799SS.*  trans-131.764.6-168-56.30000111.9T128T128-S130 PolarHBondContact O-N 2.84Å; T128-S130 VanDerWaalsContact O-N 3.08Å; T128-S130 PolarHBondContact O-OG 3.17Å
131Y24.4Very low25.9Very low218 Ų218137.2 Ų137.286%0.85580%0.795SS**  trans-133.279.6179.9-75-73.6000113.1
132F24.7Very low26Very low201 Ų201143.4 Ų143.488%0.88281%0.806SS**  -170.357.1129.6-112.2-71.6000111.6S134F132-S134 PolarHBondContact O-N 3.34Å
133S24.1Very low26Very low110 Ų110138.6 Ų138.677%0.76980%0.797SS**  trans-87.889.6168.9-66.30000110.1S135S133-S135 PolarHBondContact O-N 3.4Å
134S27.9Very low25.9Very low109 Ų109136.9 Ų136.976%0.76280%0.797SS**  trans-74.472.4175.347.30000112F132 F136F132-S134 PolarHBondContact O-N 3.34Å; S134-F136 PolarHBondContact O-N 3Å; S134-F136 VanDerWaalsContact O-N 3.16Å
135S26.4Very low26.6Very low113 Ų113134.8 Ų134.879%0.7979%0.793SS**  trans-65.4109.7170.1-62.60000110.5S133S133-S135 PolarHBondContact O-N 3.4Å
136F28.6Very low26.6Very low201 Ų201135.6 Ų135.688%0.88280%0.8SS**  trans-103.4155162.1-137.4-93.4000111.3S134 G138S134-F136 PolarHBondContact O-N 3Å; S134-F136 VanDerWaalsContact O-N 3.16Å; F136-G138 PolarHBondContact O-N 3.3Å
137I28.4Very low26.6Very low140 Ų140136.8 Ų136.872%0.71880%0.8SS**  trans-77.5114.1-157.6-65.4163.3000111.8V139I137-V139 HydrophobicContact CG2-CG2 4.29Å
138G26.2Very low26.6Very low64 Ų64134.2 Ų134.266%0.6680%0.796SS**  trans-81.8117.116700000111.4F136 N140F136-G138 PolarHBondContact O-N 3.3Å; G138-N140 PolarHBondContact O-N 3.33Å
139V27.3Very low26.4Very low136 Ų136137.2 Ų137.282%0.82480%0.799SS**  trans-91.588.6174.4-174.80000109.1I137I137-V139 HydrophobicContact CG2-CG2 4.29Å
140N28.4Very low26.4Very low153 Ų153139.7 Ų139.782%0.81880%0.798SS**  trans-85.7112175.2-797000110.9G138G138-N140 PolarHBondContact O-N 3.33Å
141G26.3Very low26.2Very low72 Ų72142.4 Ų142.474%0.74281%0.811SS**  trans-71.8146.7161.700000111.5
142F25.3Very low26.4Very low224 Ų224140.5 Ų140.598%0.98281%0.812SS**  trans-68.9158.7163.6-86.8-112.2000110.1
143G24.1Very low26.4Very low68 Ų68140.2 Ų140.270%0.70182%0.816SS**  trans-150.3-168.3-176.200000115
144S22Very low26.6Very low124 Ų124143.1 Ų143.187%0.86782%0.817SS**  trans71.6159.8176.5-64.10000116.9
145P39.9Very low26.5Very low127 Ų127150.1 Ų150.183%0.82583%0.827SS**  cis-134163.1-27.834.6-18.2000114.4
146A25.2Very low26.4Very low104 Ų104152.3 Ų152.386%0.8683%0.826SS**  trans-162.5149.9158.200000112.6
147E23.8Very low26.3Very low188 Ų188149.2 Ų149.288%0.87983%0.825SS**  trans-112.5150.5169.2-60.9-177109.200111
148S26.4Very low26.1Very low110 Ų110148.2 Ų148.277%0.76983%0.825SS**  trans143.8113.5137.3-68.50000117
149K24.2Very low26.1Very low180 Ų180150.3 Ų150.378%0.78383%0.829SS**  trans30.4115.4134.2-66.6174.5-179.5170.10122
150Y23.7Very low26Very low214 Ų214149 Ų14984%0.83983%0.826SS**  trans63.4160.9154.4-48.6-64.8000116.7
151T22.6Very low25.9Very low134 Ų134147.1 Ų147.182%0.82283%0.825SS**  cis-147.1168.211.2-35.20000111.7
152M28.1Very low25.8Very low178 Ų178149 Ų14988%0.87783%0.827SS**  trans-41.7135.1172.4170.8-162.9-98.900117
153M26Very low26Very low195 Ų195144.6 Ų144.696%0.96182%0.821SS**  trans-159.1171.6140.1-128.4-172.717400112.8
154Q28.1Very low26.2Very low172 Ų172146.2 Ų146.280%0.80482%0.821SS**  trans-139.4129.7-156.6173.7-1692.600113.2
155R25.3Very low26.4Very low256 Ų256148.3 Ų148.397%0.96682%0.822SS**  trans-161.5164.7153.1-122.8174.6-174.8176.51.9114.4
156M24.6Very low25.9Very low158 Ų158149.2 Ų149.278%0.77882%0.819SS**  trans-117151.2-170.7-58.2168.4163.300112.9
157T27.1Very low26.1Very low137 Ų137150.5 Ų150.584%0.8481%0.811SS**  trans-165.7132.1136.735.10000106.8
158T24.4Very low26.2Very low119 Ų119148.6 Ų148.673%0.7381%0.807SS**  cis107.882.820.661.50000115.1
159S24.4Very low26.3Very low107 Ų107146.8 Ų146.875%0.74881%0.806SS**  trans-170.1116.7149.740.40000108
160S25.7Very low26.5Very low108 Ų108142.6 Ų142.676%0.75581%0.805SS**  63.3126.770.675.40000112.9
161S25.8Very low26.7Very low114 Ų114141.5 Ų141.580%0.79781%0.805SS**  cis-152.5152.230.6-58.20000114.8
162S25.1Very low26.8Very low111 Ų111141.8 Ų141.878%0.77680%0.801SS**  trans-139.8146.1160.7-58.80000109.4
163P30.3Very low26.7Very low133 Ų133142.6 Ų142.686%0.86480%0.8SS**  trans-88.8140.2171.433.9-31.4000112
164S26.9Very low26.6Very low101 Ų101137.5 Ų137.571%0.70678%0.784SS**  trans-143.6147.8177.7-61.20000111.5
165L27.5Very low26.6Very low168 Ų168138.4 Ų138.488%0.8879%0.787SS**  trans-135122.7161.7-60.6171.9000105.5
166L29.7Very low26.6Very low146 Ų146130.5 Ų130.576%0.76477%0.772SS**  cis70.213245.6-57.6177.9000113.2
167N28.3Very low26.7Very low131 Ų131129 Ų12970%0.70177%0.771SS**  cis-164.6-169.3-18.6-160.257.6000110.2
168D25.7Very low26.8Very low149 Ų149131.5 Ų131.580%0.79777%0.773SS**  trans83.2143.3161-54.8-29.4000119
169G28.1Very low27.1Very low71 Ų71132.8 Ų132.873%0.73278%0.775SS**  cis173.2126.9-11.800000118
170A28.3Very low27.8Very low93 Ų93132.8 Ų132.877%0.76977%0.773SS**  trans76.4134.9140.300000125.4
171K29.5Very low28Very low191 Ų191133.7 Ų133.783%0.8377%0.774SS**  trans92.8104141.1-73162-177.8177.20124.8
172N23.7Very low28.1Very low139 Ų139136 Ų13674%0.74378%0.777SS**  65.8153.3118.7-70.924.8000126.5
173F25.8Very low28.1Very low195 Ų195136.2 Ų136.286%0.85578%0.778SS**  trans79.3148.1170.7-64.9-85.9000118.2
174S25.3Very low27.8Very low89 Ų89134.8 Ų134.862%0.62277%0.772SS**  cis-176.5137.8-36.451.40000111.8
175H26.5Very low27.9Very low190 Ų190136.5 Ų136.588%0.8878%0.778SS**  trans62.6153.7172.5-88.9-108.1000116.5
176S25.7Very low27.9Very low91 Ų91133.8 Ų133.864%0.63677%0.773SS**  cis-154.5138.5-0.849.60000113.8
177T26.4Very low28.2Very low126 Ų126131.8 Ų131.877%0.77377%0.772SS**  trans42.9100.114658.60000121.3
178H30.5Very low28.4Very low190 Ų190133.2 Ų133.288%0.8878%0.778SS**  -167.9146.1117.7-122-85.6000112.2
179D30.3Very low28.5Very low145 Ų145136.6 Ų136.678%0.77579%0.786SS**  trans-107.8165.3-179.5-84.1-56.7000112
180P38.6Very low28.6Very low107 Ų107138.4 Ų138.470%0.69579%0.788SS**  cis-137.5-157.5-27.634.6-13.4000112.5
181V30.1Very low28.7Very low128 Ų128141.1 Ų141.178%0.77679%0.789SS**  trans94.1136.6166.7-168.50000117.2
182N28.2Very low28.7Very low163 Ų163142.4 Ų142.487%0.87280%0.795SS**  trans71.4100.1175.1-85.23.5000119.8
183S24.9Very low29.1Very low114 Ų114139.3 Ų139.380%0.79780%0.796SS**  trans-149.5155.1151.274.50000106.4
184S24.9Very low29.2Very low104 Ų104134.7 Ų134.773%0.72779%0.794SS**  cis-137.2-175.61.6-62.70000107.1
185T27.9Very low29.4Very low136 Ų136139.2 Ų139.283%0.83481%0.81SS**  cis-152.2157.130.145.60000112.7
186S27.9Very low29.4Very low112 Ų112134.6 Ų134.678%0.78380%0.799SS**  trans-77.1155164.251.50000112.2
187S35.6Very low29.6Very low104 Ų104138.2 Ų138.273%0.72781%0.81SS**  trans-52138.1169.550.90000113.9
188L31.8Very low29.6Very low161 Ų161137 Ų13784%0.84381%0.807SS**  trans176.758.9141.6-99.3171000112.3
189F28.6Very low29.5Very low220 Ų220136.7 Ų136.797%0.96581%0.805SS**  trans-162.583.7165.1-95.3-63.3000110.4
190S29.6Very low29.3Very low108 Ų108141.3 Ų141.376%0.75581%0.812SS**  trans-153.235.1-175.360.40000115.1
191D30.6Very low28.8Very low151 Ų151148.1 Ų148.181%0.80782%0.824SS**  trans-133.274.5177.5-84.5-58.8000112.3
192F29.9Very low28.7Very low218 Ų218151.8 Ų151.896%0.95683%0.829SS**SBendtrans-160.235.6157.1-119.2-71.4000113.1
193G32.6Very low28.8Very low74 Ų74148.6 Ų148.676%0.76383%0.826SS**  trans-119.311.3-174.700000115.9L195G193-L195 PolarHBondContact O-N 2.88Å
194A27.7Very low29.1Very low98 Ų98149.2 Ų149.281%0.8183%0.827SS**  trans-9549.9-160.500000115.7
195L30Very low29.5Very low183 Ų183150.1 Ų150.196%0.95882%0.824SS**  trans-136.566.9163.8-77.6-177.8000111.8G193G193-L195 PolarHBondContact O-N 2.88Å
196S26.6Very low29.8Very low93 Ų93149.6 Ų149.665%0.6582%0.823SS**  trans-124108.5163.5178.60000109.4S198S196-S198 PolarHBondContact O-N 2.84Å; S196-S198 PolarHBondContact OG-OG 3.25Å
197I29.6Very low30Very low168 Ų168149.5 Ų149.586%0.86282%0.818SS**  trans-82.463.8-175.7-159161.4000111.4Q199I197-Q199 VanDerWaalsContact C-N 3.31Å; I197-Q199 PolarHBondContact O-N 2.87Å
198S26Very low29.7Very low101 Ų101149.2 Ų149.271%0.70682%0.821SS**  trans-77.371.5-176-72.10000112.6S196 R200S196-S198 PolarHBondContact O-N 2.84Å; S196-S198 PolarHBondContact OG-OG 3.25Å; S198-R200 PolarHBondContact O-N 3.42Å
199Q27.4Very low29.6Very low182 Ų182147 Ų14785%0.8582%0.82SS**  trans-73.995.6-178.8-150.7172.520.500111.3I197 R201I197-Q199 VanDerWaalsContact C-N 3.31Å; I197-Q199 PolarHBondContact O-N 2.87Å; Q199-R201 PolarHBondContact O-N 3.11Å
200R26.9Very low29.5Very low242 Ų242145.2 Ų145.291%0.91381%0.814SS**PPolyproline II helixtrans-60127.6176.6-94.7-174.7172.4-178.4-1.3111.3S198 K202S198-R200 PolarHBondContact O-N 3.42Å; R200-K202 PolarHBondContact O-N 3.47Å
201R28.9Very low29.3Very low251 Ų251148.8 Ų148.895%0.94782%0.816SS**PPolyproline II helixtrans-59.3129.9170.5-63.3177.4178.2176.1-3.3110.6Q199Q199-R201 PolarHBondContact O-N 3.11Å
202K28Very low29.2Very low204 Ų204148 Ų14889%0.88781%0.811SS**PPolyproline II helixtrans-96150.9154.4-87.2-175.4172.9-179.20108.5R200R200-K202 PolarHBondContact O-N 3.47Å
203A29.3Very low29.1Very low97 Ų97142.7 Ų142.780%0.80280%0.798SS**PPolyproline II helixtrans-70.7148.1179.400000112
204P32.3Very low28.8Very low126 Ų126148.9 Ų148.982%0.81880%0.804SS**PPolyproline II helixtrans-74.9153.7177.331.5-35.1000112.6
205N33.3Very low28.7Very low123 Ų123148.1 Ų148.166%0.65881%0.806SS**PPolyproline II helixtrans-90.5124.8-179.6-176.842.9000110.8T207N205-T207 VanDerWaalsContact C-N 3.27Å; N205-T207 PolarHBondContact ND2-OG1 3.24Å; N205-T207 PolarHBondContact O-N 2.86Å
206P33.3Very low28.6Very low125 Ų125144 Ų14481%0.81280%0.799SS**THydrogen-bonded Turntrans-84.639.5-164.735.5-39.1000115.2
207T32.8Very low29.5Very low111 Ų111145.2 Ų145.268%0.68180%0.804SS**THydrogen-bonded Turntrans-140.721.5-177.557.60000115.1N205N205-T207 VanDerWaalsContact C-N 3.27Å; N205-T207 PolarHBondContact ND2-OG1 3.24Å; N205-T207 PolarHBondContact O-N 2.86Å
208A27.7Very low29.4Very low97 Ų97149.2 Ų149.280%0.80281%0.808SS**  trans-94.8107.2175.800000111.3
209S30.8Very low29.4Very low116 Ų116153.5 Ų153.581%0.81182%0.819SS**  trans-75143.8178.8-55.80000113
210E26.3Very low29.4Very low181 Ų181149.5 Ų149.585%0.84682%0.818SS**  trans-60.1141.1171.3-173.5173.4-150.700111.8
211F25.9Very low29.4Very low183 Ų183143.2 Ų143.280%0.80382%0.817SS**  trans-124.9120.9-178.4-170.7-98.2000112.8P213F211-P213 HydrophobicContact CE1-CB 4.48Å
212I28.9Very low29.2Very low134 Ų134140 Ų14069%0.68782%0.815SS**  trans-110125.3-179.6-59.5170000108.6K214I212-K214 PolarHBondContact O-N 3.49Å
213P27.6Very low29.1Very low108 Ų108137.5 Ų137.570%0.70182%0.817SS**  trans-86.7105.1-171.432.1-34.4000113.5F211F211-P213 HydrophobicContact CE1-CB 4.48Å
214K26.1Very low29.1Very low203 Ų203142 Ų14288%0.88382%0.822SS**  trans-149.8133.7161-75-166177.8178.20113.3I212I212-K214 PolarHBondContact O-N 3.49Å
215G25.1Very low28.8Very low82 Ų82142 Ų14285%0.84583%0.825SS**  trans87.2112.3148.700000118.3
216A27.9Very low28.5Very low98 Ų98141.2 Ų141.281%0.8184%0.835SS**  trans-94-174.6158.600000109.6
217P45.4Very low28.2Very low117 Ų117142.2 Ų142.276%0.7683%0.832SS**  cis-135.6175.5-4.942.3-26.7000115.2
218R27.1Very low28Very low253 Ų253145 Ų14596%0.95584%0.838SS**  trans-163.5146.8142.4-110.3166.9-171.3-163.70.8111.2
219M27.1Very low28.4Very low190 Ų190144.7 Ų144.794%0.93683%0.828SS**  trans-104.8151.8-175.5-66.4-156.9-63.800113.4
220A26.5Very low28.1Very low99 Ų99148.1 Ų148.182%0.81883%0.828SS**  trans-158.6134.4151.900000112.9
221A27Very low28.8Very low109 Ų109144.7 Ų144.790%0.90182%0.822SS**  trans63.2143.8158.900000121.4
222M25.3Very low29.1Very low184 Ų184141.4 Ų141.491%0.90682%0.821SS**  trans-117.6154.6173.4-67.7172.4150.800110.9
223T26.2Very low29.6Very low152 Ų152141 Ų14193%0.93383%0.828SS**  trans-146.915714928.10000110.5
224Q28.3Very low29.5Very low190 Ų190143.8 Ų143.889%0.88884%0.836SS**  trans-99.9156-163.3-62.3168.5-2300114.4
225S26.3Very low29.5Very low127 Ų127144.6 Ų144.689%0.88884%0.84SS**  trans-159.5156.3152.3-78.80000109.9
226A26.4Very low29.4Very low106 Ų106145.3 Ų145.388%0.87684%0.838SS**  trans-104.3170.6-160.700000116.1
227I27.5Very low29.6Very low146 Ų146149.2 Ų149.275%0.74984%0.838SS**  trans-119.3139.6-177.2-60.2163.8000110
228Q27.8Very low29.4Very low171 Ų171149.8 Ų149.880%0.79984%0.842SS**  trans-156.8150.9138.2-87.5-39.6-76.700112.3
229P36.1Very low29.2Very low90 Ų90140.6 Ų140.658%0.58483%0.826SS**  trans-115.6-172.9-177.744-34000113.7
230F25.3Very low29.2Very low187 Ų187140.5 Ų140.582%0.8283%0.829SS**  trans146.6167.6150.7-88.3-57.8000112
231P41.6Very low29.1Very low110 Ų110139.8 Ų139.871%0.71483%0.831SS**  cis-132.3177.6-25.735.5-18.1000114.6
232S32.3Very low29Very low114 Ų114138.1 Ų138.180%0.79782%0.824SS**  trans-103.7153.7160-52.80000111.2
233P38.6Very low28.9Very low126 Ų126134.8 Ų134.882%0.81882%0.819SS**  trans-96.3156171.535.9-32.3000114.1
234L25.7Very low28.8Very low166 Ų166134.4 Ų134.487%0.86982%0.816SS**  trans-123.9153.1174.5-77.4163.9000110.1
235F25.4Very low28.7Very low220 Ų220130.5 Ų130.597%0.96582%0.817SS**  trans-153164.6156.5-92.5-67.8000111.1
236A23.9Very low28.6Very low97 Ų97129.1 Ų129.180%0.80281%0.813SS**  trans-138.2174.3-162.400000115.8
237H31.1Very low28.5Very low179 Ų179132.5 Ų132.583%0.82982%0.816SS**  trans-71.2167.4-172.6-59-77.8000115.9
238P41.1Very low28.3Very low129 Ų129129.5 Ų129.584%0.83881%0.813SS**  -110.8-169.176.9-9.930.7000114.8
239G24.3Very low28.6Very low60 Ų60127.3 Ų127.362%0.61981%0.813SS**  cis158148.5-8.700000114.2
240L26.5Very low28Very low189 Ų189126.6 Ų126.699%0.9982%0.822SS**  trans63.3143.6-176.1-70.867.5000114.9
241G24.2Very low28Very low84 Ų84126.5 Ų126.587%0.86683%0.826SS**  cis147139.2-3.200000110.2
242G24.8Very low27.1Very low73 Ų73125.8 Ų125.875%0.75382%0.824SS**  cis-177.4-143.32.800000112
243S24.4Very low26.8Very low115 Ų115128.5 Ų128.580%0.80483%0.829SS**  trans71.285.5164.6-57.90000122.1
244T23.9Very low26.1Very low143 Ų143127.7 Ų127.788%0.87783%0.826SS**  36.4122.9126.958.60000122.9
245A24.9Very low26Very low108 Ų108124.9 Ų124.989%0.89383%0.827SS**  -157.5145.7125.600000110.5
246A24.6Very low25.9Very low99 Ų99117.8 Ų117.882%0.81882%0.816SS**  trans-150.5149.6173.800000110.1
247L24.2Very low26Very low177 Ų177119 Ų11993%0.92782%0.818SS**  trans-174.6160.2154.6-104.9169.8000110.7
248A23.3Very low26Very low83 Ų83115.9 Ų115.969%0.68682%0.817SS**  trans-148.7-169.3174.800000107.2
249P33.8Very low25.5Very low125 Ų125116 Ų11681%0.81282%0.817SS**  cis-128.8174.5-16.539.2-23.1000114.5
250G23.4Very low25.8Very low75 Ų75120.6 Ų120.677%0.77383%0.827SS**  trans10.7148.4159.200000125.2
251M26.1Very low25.8Very low184 Ų184121.1 Ų121.191%0.90682%0.824SS**  trans-136.4146.9149-78-156.874.600110.7
252S23.5Very low26Very low95 Ų95122.2 Ų122.266%0.66482%0.819SS**  trans-111.4152.9172.2-179.70000109.9
253L25Very low26.5Very low172 Ų172124.7 Ų124.790%0.90182%0.821SS**  trans-136.4125.3170.5-72.7177.5000110.1
254S23Very low26.9Very low108 Ų108128.6 Ų128.676%0.75582%0.824SS**  trans-124.3163.8-175.4-60.30000112
255A25.1Very low27.2Very low108 Ų108129.5 Ų129.589%0.89382%0.822SS**  trans88.4141.3154.200000120.3
256G23.1Very low27.5Very low71 Ų71130 Ų13073%0.73281%0.814SS**  trans110.7131.2163.500000114.7
257S26.1Very low27.8Very low122 Ų122131 Ų13185%0.85381%0.812SS**  cis-160.1151.9-8.6-760000109.9
258S30.9Very low28.3Very low114 Ų114130.5 Ų130.580%0.79781%0.805SS**  trans-127.8129.9170.1-62.10000110.9
259P31.2Very low28.5Very low130 Ų130133.1 Ų133.184%0.84481%0.812SS**  trans-84.9133.8170-523.4000111.4
260L28.7Very low28.3Very low158 Ų158132.8 Ų132.883%0.82781%0.813SS**  trans-82.1152.2161.8-65.295.1000110.3
261H26.6Very low28.6Very low199 Ų199135.4 Ų135.492%0.92182%0.816SS**  trans-158.1159.9130.6-107.674.7000110.3
262S30.4Very low28.7Very low108 Ų108131.2 Ų131.276%0.75581%0.811SS**  trans-140.2167.7-176.7730000109.8
263P34.7Very low29Very low125 Ų125132.7 Ų132.781%0.81282%0.818SS**  -147.7-175.977.238.9-19000116.1
264K33.3Very low29.2Very low196 Ų196135.6 Ų135.685%0.85282%0.817SS**  trans-71156.6-179.7-54164.7-179.4173.30113.2
265I28.5Very low29.4Very low163 Ų163142 Ų14284%0.83683%0.825SS**  -163.1141.7128.3-94.6144.7000108.5
266T32.6Very low29.5Very low119 Ų119146.7 Ų146.773%0.7382%0.819SS**  trans-126.1149162.450.20000109
267P29.5Very low29.7Very low120 Ų120148.1 Ų148.178%0.77982%0.818SS**  -128.3169.7120.636.8-31.2000112.5
268H35.8Very low29.8Very low166 Ų166150.7 Ų150.777%0.76982%0.816SS**  trans-89.5-179-174.6-68-105.3000112.8
269T28.4Very low29.8Very low137 Ų137151 Ų15184%0.8481%0.814SS**  trans85.686.1168.870.80000118
270S28.8Very low29.6Very low119 Ų119151.2 Ų151.283%0.83282%0.815SS**  trans-164.9141.4141.3-830000110.2
271P29.4Very low29.7Very low130 Ų130150.2 Ų150.284%0.84481%0.81SS**PPolyproline II helixtrans-70.5140.8179.8-19.233.1000113.2
272A27.5Very low30Very low96 Ų96146.3 Ų146.379%0.79380%0.803SS**PPolyproline II helixtrans-76.1130.1-177.500000112.8R274A272-R274 PolarHBondContact O-N 2.83Å
273P30.9Very low30.1Very low125 Ų125144.5 Ų144.581%0.81279%0.794SS**PPolyproline II helixtrans-72.7121.7176.528.4-33.3000111.5R275P273-R275 PolarHBondContact O-N 2.62Å
274R29.9Very low29.9Very low234 Ų234146 Ų14688%0.88380%0.796SS**  trans-64.198.7171.2-100.8-180161.5-178.9-5.2110.3A272 R276A272-R274 PolarHBondContact O-N 2.83Å; R274-R276 VanDerWaalsContact C-N 3.32Å; R274-R276 PolarHBondContact O-N 3.34Å
275R26.3Very low29.9Very low242 Ų242147 Ų14791%0.91380%0.795SS**  trans-70.681176.6-163.9-179.3-164.2-136.14.7111.5P273 S277P273-R275 PolarHBondContact O-N 2.62Å; R275-S277 PolarHBondContact O-N 3.11Å; R275-S277 VanDerWaalsContact O-N 3.11Å
276R27.6Very low30.1Very low206 Ų206147.4 Ų147.478%0.77780%0.796SS**  trans-65103.7165.5-77.5-176173.9173.1-1.5108.9R274 H278R274-R276 VanDerWaalsContact C-N 3.32Å; R274-R276 PolarHBondContact O-N 3.34Å; R276-H278 PolarHBondContact O-N 3.25Å
277S27.1Very low30Very low102 Ų102147.8 Ų147.871%0.71380%0.798SS**  trans-73.7106.7168510000109.5R275R275-S277 PolarHBondContact O-N 3.11Å; R275-S277 VanDerWaalsContact O-N 3.11Å
278H27.6Very low29.9Very low175 Ų175147.5 Ų147.581%0.8180%0.796SS**  trans-71.9131.3169.8-75.2-111000109.8R276R276-H278 PolarHBondContact O-N 3.25Å
279T30.4Very low29.5Very low122 Ų122146.3 Ų146.375%0.74880%0.801SS**  trans-117.3144.4163.748.30000109.2
280P28.2Very low29.5Very low133 Ų133145.9 Ų145.986%0.86480%0.798SS**  trans-70.4136.5176.1-14.129.5000110.7
281N30.9Very low29.6Very low137 Ų137144.8 Ų144.873%0.73380%0.796SS**  trans-109.8124.7177.4-168.343.2000110.7A283N281-A283 VanDerWaalsContact C-N 3.31Å; N281-A283 PolarHBondContact O-N 3.32Å
282P33.1Very low29.6Very low117 Ų117143.4 Ų143.476%0.7680%0.796SS**  trans-81.769.1-174.433.7-36.6000112.7
283A31.3Very low29.5Very low70 Ų70146.7 Ų146.758%0.57980%0.8SS**  trans-108.1-10.9178.900000114.8N281 Y285N281-A283 VanDerWaalsContact C-N 3.31Å; N281-A283 PolarHBondContact O-N 3.32Å; A283-Y285 VanDerWaalsContact C-N 3.29Å; A283-Y285 PolarHBondContact O-N 3.07Å; A283-Y285 VanDerWaalsContact O-N 3.15Å
284N31.7Very low29.6Very low157 Ų157150 Ų15084%0.8481%0.805SS**THydrogen-bonded Turntrans-80.212.1-168.1-9630.5000116.4
285Y32.5Very low29.5Very low216 Ų216142 Ų14285%0.84780%0.796SS**THydrogen-bonded Turntrans-10915.9-167.5-76.9-71.5000116.1A283A283-Y285 VanDerWaalsContact C-N 3.29Å; A283-Y285 PolarHBondContact O-N 3.07Å; A283-Y285 VanDerWaalsContact O-N 3.15Å
286M32.3Very low29.6Very low173 Ų173135.3 Ų135.385%0.85279%0.791SS**  trans-135.858.2177.4-65.1-164.276.300114.5
287V31.3Very low30Very low126 Ų126133.7 Ų133.776%0.76479%0.792SS**  trans-136120.1162.6-176.20000110
288P27.2Very low30.5Very low115 Ų115136.1 Ų136.175%0.74780%0.796SS**  trans-77.6121167.6-9.426.4000110.2T290P288-T290 PolarHBondContact O-N 3.26Å
289T28.1Very low31.3Very low141 Ų141132.6 Ų132.687%0.86578%0.782SS**  trans-72.494.4-179.1-44.60000112.1
290T28.6Very low32.1Very low127 Ų127133.4 Ų133.478%0.77978%0.777SS**  trans-89.4134.8159.448.70000110P288P288-T290 PolarHBondContact O-N 3.26Å
291A30Very low33.3Very low96 Ų96133.7 Ų133.779%0.79377%0.765SS**  trans-79.4152.7-170.700000114.2
292A30.1Very low34Very low102 Ų102132.5 Ų132.584%0.84376%0.755SS**  trans64.7106163.600000118.6
293D24.2Very low34.7Very low165 Ų165130.8 Ų130.888%0.88274%0.742SS**  -141.9162109.7-155.7-5.6000109.8
294Q33.9Very low35.2Very low194 Ų194131.6 Ų131.691%0.90774%0.74SS**  trans-104.888.1-172.2-69.3-171.7-5.900113
295G27.1Very low35.9Very low67 Ų67128.1 Ų128.169%0.69174%0.742SS**  trans-96.8129.7167.400000112.2H297G295-H297 PolarHBondContact O-N 3.12Å
296A29Very low36.9Very low100 Ų100121.3 Ų121.383%0.82674%0.737SS**  trans-78.3115.4-17900000112.3I298A296-I298 PolarHBondContact O-N 3.16Å
297H36.2Very low37.1Very low172 Ų172116.6 Ų116.680%0.79672%0.718SS**  trans-68.7117.2169.8-73.8-82.4000110.8G295 I299G295-H297 PolarHBondContact O-N 3.12Å; H297-I299 PolarHBondContact O-N 3.38Å
298I38.1Very low38.4Very low154 Ų154113 Ų11379%0.7970%0.696SS**  trans-76.1106.6173.4-59.2175.9000108.6A296A296-I298 PolarHBondContact O-N 3.16Å
299I43.3Very low39.3Very low101 Ų101113.1 Ų113.152%0.51868%0.683SS.*  trans-88.2113.3174-58.6172.7000108.3H297 F310H297-I299 PolarHBondContact O-N 3.38Å; I299-F310 HydrophobicContact CG2-CB 4.1Å; I299-F310 HydrophobicContact CG2-CD1 3.76Å; I299-F310 HydrophobicContact CG2-CG 4.39Å
300Q48.3Very low40.5Very low138 Ų138112.9 Ų112.965%0.64567%0.67SS**EExtended strand (participates in β ladder)trans-76.7132.7169-76.2-171.2-10.800110F310 Y311Q300-F310 WeakPolarHBondContact O-CA 3.22Å; Q300-Y311 PolarHBondContact N-O 3.17Å; Q300-Y311 PolarHBondContact O-N 3.01Å
301K52.7Low41.2Very low140 Ų140112.6 Ų112.661%0.60966%0.655SS**EExtended strand (participates in β ladder)trans-122.1120.1-177.3-178.2-165179.7-167.60108.9T308 Y309 F310K301-T308 HydrophobicContact CD-CG2 4.1Å; K301-T308 VanDerWaalsContact CE-CG2 3.41Å; K301-T308 HydrophobicContact CG-CG2 3.53Å; K301-Y309 WeakPolarHBondContact CA-O 3.36Å; K301-F310 HydrophobicContact CB-CD1 4.22Å; K301-F310 HydrophobicContact CB-CE1 4.27Å; K301-F310 HydrophobicContact CD-CE1 4.14Å; K301-F310 HydrophobicContact CG-CD1 4.13Å; K301-F310 HydrophobicContact CG-CE1 3.82Å
302E45.9Very low41.6Very low112 Ų112113 Ų11352%0.52365%0.648SS.*EExtended strand (participates in β ladder)trans-126.5136.3176.3-165.6175.4-179.600109.9V304 Y309 Y311E302-V304 HydrophobicContact CG-CG2 4.24Å; E302-Y309 PolarHBondContact N-O 3.22Å; E302-Y309 PolarHBondContact O-N 2.86Å; E302-Y311 HydrophobicContact CB-CE2 4.23Å
303T46.6Very low41.8Very low80 Ų80114.8 Ų114.849%0.49164%0.643SS.*EExtended strand (participates in β ladder)trans-120.2113.5-176.1-57.30000109.9T307 T308T303-T307 CarbonylContact C-O 3.57Å; T303-T307 WeakPolarHBondContact CA-O 3.42Å; T303-T308 PolarHBondContact OG1-OG1 3.13Å
304V43.3Very low42.4Very low87 Ų87113.9 Ų113.953%0.52764%0.639SS.*EExtended strand (participates in β ladder)trans-128.3130.1-177.5-175.60000109E302 G306 T307E302-V304 HydrophobicContact CG-CG2 4.24Å; V304-G306 PolarHBondContact O-N 2.88Å; V304-T307 PolarHBondContact N-O 3.41Å; V304-T307 PolarHBondContact O-N 3.5Å; V304-T307 VanDerWaalsContact O-N 3.1Å
305G45.1Very low42.2Very low85 Ų85109.5 Ų109.588%0.87663%0.626SS**THydrogen-bonded Turntrans61.428.5177.700000114.7T307G305-T307 PolarHBondContact O-N 3.43Å
306G54Low42.5Very low73 Ų73112.2 Ų112.275%0.75363%0.631SS**THydrogen-bonded Turntrans82.3-12.4-175.800000114.9V304V304-G306 PolarHBondContact O-N 2.88Å
307T37Very low42.6Very low73 Ų73113.8 Ų113.845%0.44863%0.63SS.*EExtended strand (participates in β ladder)trans-92.7135.6174.8-57.40000110.2T303 V304 G305 Y309T303-T307 CarbonylContact C-O 3.57Å; T303-T307 WeakPolarHBondContact CA-O 3.42Å; V304-T307 PolarHBondContact N-O 3.41Å; V304-T307 PolarHBondContact O-N 3.5Å; V304-T307 VanDerWaalsContact O-N 3.1Å; G305-T307 PolarHBondContact O-N 3.43Å; T307-Y309 HydrophobicContact CG2-CD2 4.44Å; T307-Y309 HydrophobicContact CG2-CE1 4.22Å; T307-Y309 HydrophobicContact CG2-CE2 3.78Å
308T57.8Low42.4Very low51 Ų51110.8 Ų110.831%0.31363%0.626SS.*EExtended strand (participates in β ladder)trans-99.4128.7174.5-64.30000110.3K301 T303 F310K301-T308 HydrophobicContact CD-CG2 4.1Å; K301-T308 VanDerWaalsContact CE-CG2 3.41Å; K301-T308 HydrophobicContact CG-CG2 3.53Å; T303-T308 PolarHBondContact OG1-OG1 3.13Å; T308-F310 HydrophobicContact CG2-CD2 4.42Å; T308-F310 HydrophobicContact CG2-CE1 4.19Å; T308-F310 HydrophobicContact CG2-CE2 3.91Å; T308-F310 HydrophobicContact CG2-CZ 3.8Å
309Y46.3Very low42.5Very low117 Ų117111.2 Ų111.246%0.45963%0.626SS.*EExtended strand (participates in β ladder)trans-106142.2172.5-61.5-84.9000109.9K301 E302 T307K301-Y309 WeakPolarHBondContact CA-O 3.36Å; E302-Y309 PolarHBondContact N-O 3.22Å; E302-Y309 PolarHBondContact O-N 2.86Å; T307-Y309 HydrophobicContact CG2-CD2 4.44Å; T307-Y309 HydrophobicContact CG2-CE1 4.22Å; T307-Y309 HydrophobicContact CG2-CE2 3.78Å
310F52.2Low42.2Very low136 Ų136110.2 Ų110.260%0.59663%0.633SS**EExtended strand (participates in β ladder)trans-117.4124.9176-62.6-81.3000108.5I299 Q300 K301 T308I299-F310 HydrophobicContact CG2-CB 4.1Å; I299-F310 HydrophobicContact CG2-CD1 3.76Å; I299-F310 HydrophobicContact CG2-CG 4.39Å; Q300-F310 WeakPolarHBondContact O-CA 3.22Å; K301-F310 HydrophobicContact CB-CD1 4.22Å; K301-F310 HydrophobicContact CB-CE1 4.27Å; K301-F310 HydrophobicContact CD-CE1 4.14Å; K301-F310 HydrophobicContact CG-CD1 4.13Å; K301-F310 HydrophobicContact CG-CE1 3.82Å; T308-F310 HydrophobicContact CG2-CD2 4.42Å; T308-F310 HydrophobicContact CG2-CE1 4.19Å; T308-F310 HydrophobicContact CG2-CE2 3.91Å; T308-F310 HydrophobicContact CG2-CZ 3.8Å
311Y43.4Very low42.2Very low121 Ų121104.4 Ų104.448%0.47561%0.611SS.*EExtended strand (participates in β ladder)trans-106.8121178.4-61.1-73.3000109.8Q300 E302Q300-Y311 PolarHBondContact N-O 3.17Å; Q300-Y311 PolarHBondContact O-N 3.01Å; E302-Y311 HydrophobicContact CB-CE2 4.23Å
312T40.2Very low41.8Very low106 Ų106102.3 Ų102.365%0.6560%0.604SS**  trans-103.4111.5168.649.40000108.4N314T312-N314 PolarHBondContact O-N 3.04Å
313D32.3Very low42.1Very low138 Ų138101.6 Ų101.674%0.73861%0.607SS**  trans-75.590.5-177.6-163.8-12.3000110.4T315D313-T315 WeakPolarHBondContact OD1-CG2 3.47Å; D313-T315 PolarHBondContact OD1-OG1 2.97Å; D313-T315 VanDerWaalsContact OD1-OG1 3.05Å
314N36.8Very low42.2Very low146 Ų146104 Ų10478%0.78161%0.611SS**  trans-105.354.2-177.8-130.352.9000109.8T312 P316T312-N314 PolarHBondContact O-N 3.04Å; N314-P316 VanDerWaalsContact O-CD 3.32Å; N314-P316 WeakPolarHBondContact O-CD 3.49Å
315T30.9Very low42.5Very low103 Ų103102.6 Ų102.663%0.63260%0.603SS**  trans-69.2113.9171.528.70000109.7D313 V317D313-T315 WeakPolarHBondContact OD1-CG2 3.47Å; D313-T315 PolarHBondContact OD1-OG1 2.97Å; D313-T315 VanDerWaalsContact OD1-OG1 3.05Å; T315-V317 PolarHBondContact O-N 2.82Å
316P32.6Very low42.4Very low123 Ų123105.7 Ų105.780%0.79961%0.606SS**PPolyproline II helixtrans-72.2116.6178.229-32.7000109.5N314N314-P316 VanDerWaalsContact O-CD 3.32Å; N314-P316 WeakPolarHBondContact O-CD 3.49Å
317V31.9Very low41.9Very low133 Ų133108.3 Ų108.381%0.80660%0.597SS**PPolyproline II helixtrans-60133166.2-169.70000107.7T315T315-V317 PolarHBondContact O-N 2.82Å
318P32.3Very low42.1Very low110 Ų110113.5 Ų113.571%0.71462%0.615SS**PPolyproline II helixtrans-60.7157.1174.526.3-34.9000111A320P318-A320 PolarHBondContact O-N 3.13Å; P318-A320 VanDerWaalsContact O-N 3.15Å
319M40.6Very low41.6Very low162 Ų162113.3 Ų113.380%0.79861%0.612SS**PPolyproline II helixtrans-58.9120.2166.2-92.7-175.1162.800109.2
320A35.8Very low41.3Very low80 Ų80117 Ų11766%0.66163%0.626SS**THydrogen-bonded Turntrans-56.2145.1169.700000110.5P318 M322 E374P318-A320 PolarHBondContact O-N 3.13Å; P318-A320 VanDerWaalsContact O-N 3.15Å; A320-M322 PolarHBondContact O-N 3.13Å; A320-E374 WeakPolarHBondContact CB-OE2 3.44Å
321G49.1Very low40.6Very low17 Ų17115 Ų11518%0.17563%0.628CS.*THydrogen-bonded Turntrans85.9-1.8170.100000117.2E374G321-E374 WeakPolarHBondContact CA-OE2 3.46Å; G321-E374 PolarHBondContact N-OE2 2.78Å
322M43Very low40.7Very low96 Ų96114.3 Ų114.347%0.47364%0.638SS.*  trans-10382.9179.8-68-155.475.300113.3A320 F324A320-M322 PolarHBondContact O-N 3.13Å; M322-F324 HydrophobicContact CB-CE2 3.96Å; M322-F324 HydrophobicContact CE-CE1 4.3Å; M322-F324 HydrophobicContact CE-CE2 4.24Å; M322-F324 HydrophobicContact CE-CZ 3.67Å; M322-F324 WeakPolarHBondContact O-CD2 3.35Å; M322-F324 PolarHBondContact O-N 3.33Å; M322-F324 HydrophobicContact SD-CZ 4.42Å
323V53.3Low41.2Very low96 Ų96111.1 Ų111.158%0.58262%0.618SS**  trans-79.2111.3169.2179.30000109.8D371V323-D371 HydrophobicContact CG2-CB 3.96Å
324F48.1Very low41.9Very low131 Ų131106.5 Ų106.558%0.57560%0.599SS**  trans-86.4153.2169.3-67.7-87.7000110.7M322M322-F324 HydrophobicContact CB-CE2 3.96Å; M322-F324 HydrophobicContact CE-CE1 4.3Å; M322-F324 HydrophobicContact CE-CE2 4.24Å; M322-F324 HydrophobicContact CE-CZ 3.67Å; M322-F324 WeakPolarHBondContact O-CD2 3.35Å; M322-F324 PolarHBondContact O-N 3.33Å; M322-F324 HydrophobicContact SD-CZ 4.42Å
325P49.9Very low42.3Very low57 Ų57104.1 Ų104.137%0.3759%0.591SS.*  trans-58.3142.4178.4-23.633.6000112.8F327 I329P325-F327 HydrophobicContact CB-CD1 3.92Å; P325-F327 HydrophobicContact CB-CD2 4.25Å; P325-F327 HydrophobicContact CB-CE1 3.64Å; P325-F327 HydrophobicContact CB-CE2 3.97Å; P325-F327 HydrophobicContact CB-CG 4.23Å; P325-F327 HydrophobicContact CB-CZ 3.66Å; P325-F327 HydrophobicContact CG-CZ 4.23Å; P325-F327 PolarHBondContact O-N 2.83Å; P325-F327 VanDerWaalsContact O-N 3.13Å; P325-I329 HydrophobicContact CG-CD1 4.38Å
326T42.3Very low43.1Very low151 Ų151105.7 Ų105.793%0.92659%0.591SS**SBendtrans-73.83.6177.848.90000114
327F44.6Very low44.1Very low128 Ų128103.1 Ų103.156%0.56157%0.573SS**SBendtrans-117.1155.8178.158-100.6000111.7P325 I329P325-F327 HydrophobicContact CB-CD1 3.92Å; P325-F327 HydrophobicContact CB-CD2 4.25Å; P325-F327 HydrophobicContact CB-CE1 3.64Å; P325-F327 HydrophobicContact CB-CE2 3.97Å; P325-F327 HydrophobicContact CB-CG 4.23Å; P325-F327 HydrophobicContact CB-CZ 3.66Å; P325-F327 HydrophobicContact CG-CZ 4.23Å; P325-F327 PolarHBondContact O-N 2.83Å; P325-F327 VanDerWaalsContact O-N 3.13Å; F327-I329 HydrophobicContact CE2-CD1 4.48Å; F327-I329 HydrophobicContact CE2-CG1 4.16Å; F327-I329 PolarHBondContact O-N 3.33Å
328H41.2Very low44.9Very low181 Ų18199.8 Ų99.884%0.83856%0.559SS**  trans-75.4107.2-174.8-66.220.5000111.7
329I46.8Very low45.9Very low48 Ų48103.3 Ų103.325%0.24656%0.56CS.*  trans-78.5138.2150.9-65.8172.5000106.8P325 F327 I360 L364P325-I329 HydrophobicContact CG-CD1 4.38Å; F327-I329 HydrophobicContact CE2-CD1 4.48Å; F327-I329 HydrophobicContact CE2-CG1 4.16Å; F327-I329 PolarHBondContact O-N 3.33Å; I329-I360 HydrophobicContact CG2-CG2 4.27Å; I329-L364 HydrophobicContact CD1-CD2 3.51Å; I329-L364 HydrophobicContact CG2-CD2 4.32Å
330Y40.3Very low46Very low193 Ų193101.8 Ų101.876%0.75755%0.552SS**  trans-43.2122.8-168.6-76.3-91.2000113.3
331P37Very low46.4Very low96 Ų96106.1 Ų106.162%0.62356%0.559SS**PPolyproline II helixtrans-62145.1178.826.1-33.9000110.5
332P46.4Very low46.4Very low106 Ų106110.1 Ų110.169%0.68858%0.582SS**PPolyproline II helixtrans-62.9153.1176.927.4-34.7000111A334P332-A334 PolarHBondContact O-N 3.31Å; P332-A334 VanDerWaalsContact O-N 3.11Å
333T50.6Low46.5Very low39 Ų39114.4 Ų114.424%0.23960%0.598CS.*PPolyproline II helixtrans-51.4117.8176.2-50.50000109.4V337 A338 D353 R356T333-V337 HydrophobicContact CG2-CB 3.85Å; T333-V337 HydrophobicContact CG2-CG1 3.76Å; T333-A338 HydrophobicContact CG2-CB 4.34Å; T333-D353 PolarHBondContact OG1-OD2 3.29Å; T333-R356 PolarHBondContact OG1-NH2 3.38Å
334A45.6Very low46.1Very low40 Ų40114.7 Ų114.733%0.33161%0.61SS.*PPolyproline II helixtrans-58.2144-174.100000110.7P332 H336 V337 A338P332-A334 PolarHBondContact O-N 3.31Å; P332-A334 VanDerWaalsContact O-N 3.11Å; A334-H336 VanDerWaalsContact C-N 3.25Å; A334-H336 PolarHBondContact O-N 3.32Å; A334-V337 HydrophobicContact CB-CG2 4.38Å; A334-V337 WeakPolarHBondContact O-CA 3.43Å; A334-V337 WeakPolarHBondContact O-CB 3.3Å; A334-V337 PolarHBondContact O-N 2.97Å; A334-A338 PolarHBondContact O-N 3.35Å
335P45.5Very low46.1Very low96 Ų96116 Ų11662%0.62362%0.623SS**Hα-helixtrans-55.2-36.6-169.4-3035.7000114.6V337 A338 Y339P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 3.26Å; P335-A338 PolarHBondContact O-N 2.89Å; P335-Y339 WeakPolarHBondContact O-CD2 3.12Å; P335-Y339 PolarHBondContact O-N 3.47Å; P335-Y339 VanDerWaalsContact O-N 3.14Å
336H49Very low46.1Very low137 Ų137116.2 Ų116.263%0.63463%0.63SS**Hα-helixtrans-67.7-26.1176.964.9-92.4000113.5A334 M340A334-H336 VanDerWaalsContact C-N 3.25Å; A334-H336 PolarHBondContact O-N 3.32Å; H336-M340 WeakPolarHBondContact O-CG 3.27Å; H336-M340 PolarHBondContact O-N 2.98Å
337V54Low46.9Very low69 Ų69112.8 Ų112.842%0.41861%0.61SS.*Hα-helixtrans-82.3-37.5173-174.90000110.6T333 A334 P335 Y339 M340T333-V337 HydrophobicContact CG2-CB 3.85Å; T333-V337 HydrophobicContact CG2-CG1 3.76Å; A334-V337 HydrophobicContact CB-CG2 4.38Å; A334-V337 WeakPolarHBondContact O-CA 3.43Å; A334-V337 WeakPolarHBondContact O-CB 3.3Å; A334-V337 PolarHBondContact O-N 2.97Å; P335-V337 VanDerWaalsContact C-N 3.28Å; P335-V337 PolarHBondContact O-N 3.26Å; V337-Y339 PolarHBondContact O-N 3.39Å; V337-M340 WeakPolarHBondContact O-CB 3.46Å; V337-M340 PolarHBondContact O-N 3.39Å
338A48.3Very low48.2Very low62 Ų62110.6 Ų110.651%0.51261%0.61SS.*Hα-helixtrans-63.3-25.817600000113.3T333 A334 P335T333-A338 HydrophobicContact CG2-CB 4.34Å; A334-A338 PolarHBondContact O-N 3.35Å; P335-A338 PolarHBondContact O-N 2.89Å
339Y52.2Low49.8Very low185 Ų185104.5 Ų104.573%0.72558%0.582SS**THydrogen-bonded Turntrans-98.8-0.9172.5-58.6-56.6000114.3P335 V337 Q341P335-Y339 WeakPolarHBondContact O-CD2 3.12Å; P335-Y339 PolarHBondContact O-N 3.47Å; P335-Y339 VanDerWaalsContact O-N 3.14Å; V337-Y339 PolarHBondContact O-N 3.39Å; Y339-Q341 PolarHBondContact O-N 2.94Å
340M42.7Very low51.3Low130 Ų130107.4 Ų107.464%0.6459%0.593SS**SBendtrans-70.5103.4165.9-88.2-178.46400108.5H336 V337 P342H336-M340 WeakPolarHBondContact O-CG 3.27Å; H336-M340 PolarHBondContact O-N 2.98Å; V337-M340 WeakPolarHBondContact O-CB 3.46Å; V337-M340 PolarHBondContact O-N 3.39Å; M340-P342 VanDerWaalsContact O-CD 3.23Å; M340-P342 WeakPolarHBondContact O-CD 3.47Å; M340-P342 VanDerWaalsContact O-N 3.14Å
341Q43.8Very low53.3Low170 Ų170100 Ų10079%0.79457%0.565SS**PPolyproline II helixtrans-54.1118166.1-68.9-65.3-34.500108.8Y339Y339-Q341 PolarHBondContact O-N 2.94Å
342P50.5Low55.5Low101 Ų10197.6 Ų97.666%0.65655%0.554SS**PPolyproline II helixtrans-57.5143.4169-20.833.4000108.6M340 A344M340-P342 VanDerWaalsContact O-CD 3.23Å; M340-P342 WeakPolarHBondContact O-CD 3.47Å; M340-P342 VanDerWaalsContact O-N 3.14Å; P342-A344 PolarHBondContact O-N 3.17Å; P342-A344 VanDerWaalsContact O-N 3.12Å
343K45.5Very low57.1Low186 Ų18695.7 Ų95.781%0.80954%0.538SS*.PPolyproline II helixtrans-55.2125.3166-70.4-179.8178.9176.70106.5N345 A346K343-N345 PolarHBondContact O-N 3Å; K343-A346 VanDerWaalsContact O-CB 3.29Å; K343-A346 WeakPolarHBondContact O-CB 3.47Å; K343-A346 PolarHBondContact O-N 2.82Å
344A43.9Very low58.6Low102 Ų10299.7 Ų99.784%0.84355%0.554SS**THydrogen-bonded Turntrans-58.9-10.5-162.700000116.3P342P342-A344 PolarHBondContact O-N 3.17Å; P342-A344 VanDerWaalsContact O-N 3.12Å
345N47.6Very low60.4Low160 Ų16099.7 Ų99.786%0.85655%0.548SS*.THydrogen-bonded Turntrans-113.514.5178.5-56.3-9000113K343K343-N345 PolarHBondContact O-N 3Å
346A50.6Low62.2Low61 Ų6198.2 Ų98.250%0.50453%0.53SS..  trans-76.1125.317800000110.7K343 S348K343-A346 VanDerWaalsContact O-CB 3.29Å; K343-A346 WeakPolarHBondContact O-CB 3.47Å; K343-A346 PolarHBondContact O-N 2.82Å; A346-S348 PolarHBondContact O-N 3.46Å
347P58.6Low63.9Low78 Ų7896.3 Ų96.351%0.50652%0.521SS..  trans-67.6129.8-179.526-33.9000112.2F349P347-F349 HydrophobicContact CB-CE1 4.1Å; P347-F349 HydrophobicContact CB-CE2 4.28Å; P347-F349 HydrophobicContact CB-CZ 3.87Å; P347-F349 HydrophobicContact CG-CE1 4.17Å; P347-F349 HydrophobicContact CG-CE2 3.75Å; P347-F349 HydrophobicContact CG-CZ 3.44Å; P347-F349 VanDerWaalsContact CG-CZ 3.44Å; P347-F349 PolarHBondContact O-N 3.38Å
348S73.1Confident65.3Low82 Ų8295.5 Ų95.557%0.57351%0.513SS*.  trans-87.993.7175.4-168.70000110.9A346 F350A346-S348 PolarHBondContact O-N 3.46Å; S348-F350 PolarHBondContact O-N 2.91Å; S348-F350 PolarHBondContact OG-O 3.43Å; S348-F350 VanDerWaalsContact OG-O 3.06Å
349F73Confident67.1Low54 Ų5496.2 Ų96.224%0.23751%0.508CS..  trans-71-10.4176.9-57.1-66.9000114.3P347 N682 V741P347-F349 HydrophobicContact CB-CE1 4.1Å; P347-F349 HydrophobicContact CB-CE2 4.28Å; P347-F349 HydrophobicContact CB-CZ 3.87Å; P347-F349 HydrophobicContact CG-CE1 4.17Å; P347-F349 HydrophobicContact CG-CE2 3.75Å; P347-F349 HydrophobicContact CG-CZ 3.44Å; P347-F349 VanDerWaalsContact CG-CZ 3.44Å; P347-F349 PolarHBondContact O-N 3.38Å; F349-N682 PolarHBondContact O-ND2 2.85Å; F349-N682 PolarHBondContact O-OD1 3.3Å; F349-V741 HydrophobicContact CD1-CB 4.29Å; F349-V741 HydrophobicContact CD1-CG1 3.76Å; F349-V741 HydrophobicContact CD1-CG2 4.39Å; F349-V741 HydrophobicContact CE1-CB 4.24Å; F349-V741 HydrophobicContact CE1-CG1 3.88Å; F349-V741 HydrophobicContact CG-CG1 4.46Å; F349-V741 HydrophobicContact CG-CG2 4.31Å
350F79.9Confident68.8Low108 Ų10889.4 Ų89.447%0.47448%0.484SS..SBendtrans-120.2161.5-176.5-56.8-69.4000111.7S348 N682 L737S348-F350 PolarHBondContact O-N 2.91Å; S348-F350 PolarHBondContact OG-O 3.43Å; S348-F350 VanDerWaalsContact OG-O 3.06Å; F350-N682 WeakPolarHBondContact CD1-ND2 3.5Å; F350-L737 HydrophobicContact CE2-CD2 3.61Å; F350-L737 HydrophobicContact CZ-CD2 3.84Å
351M82.3Confident70.8Confident38 Ų3888.3 Ų88.319%0.18748%0.477CS..  trans-49.2145.2169.3179.5-179.7-71.800112.8L355 R356 L359 D675 E679M351-L355 HydrophobicContact CE-CD2 4.35Å; M351-L355 HydrophobicContact CG-CB 4.28Å; M351-L355 HydrophobicContact CG-CD2 4.05Å; M351-L355 HydrophobicContact CG-CG 4.24Å; M351-L355 HydrophobicContact SD-CB 4.41Å; M351-L355 HydrophobicContact SD-CD2 4.05Å; M351-L355 HydrophobicContact SD-CG 3.92Å; M351-R356 HydrophobicContact CG-CB 4.47Å; M351-R356 HydrophobicContact SD-CB 4.28Å; M351-L359 HydrophobicContact CE-CD1 4Å; M351-L359 HydrophobicContact SD-CD1 3.66Å; M351-D675 HydrophobicContact CG-CB 4.21Å; M351-D675 WeakPolarHBondContact CG-OD2 3.42Å; M351-E679 HydrophobicContact CB-CG 4.49Å; M351-E679 HydrophobicContact CE-CG 3.97Å
352A82.7Confident72.8Confident46 Ų4684 Ų8438%0.3845%0.453SS..  trans-61.7138.1179.800000112.9E354 L355 R356 D675A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 3.43Å; A352-L355 PolarHBondContact O-N 3.04Å; A352-R356 PolarHBondContact O-N 3.48Å; A352-D675 PolarHBondContact N-OD2 3.28Å
353D79.4Confident74.4Confident65 Ų6584.1 Ų84.135%0.34845%0.445SS..Hα-helixtrans-62.9-31.7-170.1-126.537.9000113.5T333 R356 Q357T333-D353 PolarHBondContact OG1-OD2 3.29Å; D353-R356 IonicContact OD1-CZ 3.09Å; D353-R356 IonicContact OD1-NE 3.34Å; D353-R356 PolarHBondContact OD1-NE 3.4Å; D353-R356 IonicContact OD1-NH2 3.8Å; D353-R356 PolarHBondContact OD1-NH2 3.42Å; D353-R356 IonicContact OD2-NH2 2.69Å; D353-R356 PolarHBondContact OD2-NH2 2.93Å; D353-R356 VanDerWaalsContact OD2-NH2 3.11Å; D353-Q357 VanDerWaalsContact O-CB 3.31Å; D353-Q357 WeakPolarHBondContact O-CB 3.47Å; D353-Q357 WeakPolarHBondContact O-CG 3.33Å; D353-Q357 PolarHBondContact O-N 3.15Å; D353-Q357 PolarHBondContact OD2-NE2 2.84Å
354E81.4Confident76.4Confident124 Ų12478.1 Ų78.158%0.57942%0.421SS*.Hα-helixtrans-65-45.6174.1-172.5-175.9-155.500112A352 Q357 E358 K557A352-E354 VanDerWaalsContact C-N 3.29Å; A352-E354 PolarHBondContact O-N 3.43Å; E354-Q357 PolarHBondContact O-N 2.89Å; E354-E358 PolarHBondContact O-N 2.76Å; E354-K557 WeakPolarHBondContact OE1-CE 3.36Å; E354-K557 IonicContact OE1-NZ 2.61Å; E354-K557 PolarHBondContact OE1-NZ 3.03Å; E354-K557 IonicContact OE2-NZ 3.59Å; E354-K557 PolarHBondContact OE2-NZ 3.11Å
355L83.6Confident78.4Confident40 Ų4075.5 Ų75.521%0.20939%0.393CS..Hα-helixtrans-67.9-43.2178.5179.859.6000110.8M351 A352 Q357 E358 L359 D675M351-L355 HydrophobicContact CE-CD2 4.35Å; M351-L355 HydrophobicContact CG-CB 4.28Å; M351-L355 HydrophobicContact CG-CD2 4.05Å; M351-L355 HydrophobicContact CG-CG 4.24Å; M351-L355 HydrophobicContact SD-CB 4.41Å; M351-L355 HydrophobicContact SD-CD2 4.05Å; M351-L355 HydrophobicContact SD-CG 3.92Å; A352-L355 PolarHBondContact O-N 3.04Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.48Å; L355-E358 PolarHBondContact O-N 3.38Å; L355-L359 HydrophobicContact CD1-CD1 4.35Å; L355-L359 HydrophobicContact CD1-CG 4.31Å; L355-L359 HydrophobicContact CG-CD1 4.18Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 3.46Å; L355-D675 HydrophobicContact CD2-CB 4.23Å
356R84.8Confident80.3Confident65 Ų6570.1 Ų70.125%0.24537%0.366CS..Hα-helixtrans-57.6-44175.2-172.8-17866.884.3-4.1111.6T333 M351 A352 D353 L359 I360T333-R356 PolarHBondContact OG1-NH2 3.38Å; M351-R356 HydrophobicContact CG-CB 4.47Å; M351-R356 HydrophobicContact SD-CB 4.28Å; A352-R356 PolarHBondContact O-N 3.48Å; D353-R356 IonicContact OD1-CZ 3.09Å; D353-R356 IonicContact OD1-NE 3.34Å; D353-R356 PolarHBondContact OD1-NE 3.4Å; D353-R356 IonicContact OD1-NH2 3.8Å; D353-R356 PolarHBondContact OD1-NH2 3.42Å; D353-R356 IonicContact OD2-NH2 2.69Å; D353-R356 PolarHBondContact OD2-NH2 2.93Å; D353-R356 VanDerWaalsContact OD2-NH2 3.11Å; R356-L359 PolarHBondContact O-N 2.84Å; R356-I360 HydrophobicContact CG-CD1 4.01Å; R356-I360 VanDerWaalsContact O-CG1 3.3Å; R356-I360 WeakPolarHBondContact O-CG1 3.41Å; R356-I360 PolarHBondContact O-N 2.75Å
357Q83.5Confident81.9Confident97 Ų9771.4 Ų71.445%0.45336%0.362SS..Hα-helixtrans-67.9-41176.6-72171.830.600112.1D353 E354 L355 L359 I360 H361D353-Q357 VanDerWaalsContact O-CB 3.31Å; D353-Q357 WeakPolarHBondContact O-CB 3.47Å; D353-Q357 WeakPolarHBondContact O-CG 3.33Å; D353-Q357 PolarHBondContact O-N 3.15Å; D353-Q357 PolarHBondContact OD2-NE2 2.84Å; E354-Q357 PolarHBondContact O-N 2.89Å; L355-Q357 VanDerWaalsContact C-N 3.32Å; L355-Q357 PolarHBondContact O-N 3.48Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; Q357-L359 PolarHBondContact O-N 3.01Å; Q357-I360 PolarHBondContact O-N 3.4Å; Q357-H361 VanDerWaalsContact O-CB 3.27Å; Q357-H361 WeakPolarHBondContact O-CB 3.3Å; Q357-H361 PolarHBondContact O-N 2.92Å
358E84.3Confident83Confident51 Ų5168.8 Ų68.824%0.23835%0.347CS..Hα-helixtrans-58.9-44.8174-157.7-155.4108.100111.1E354 L355 R362E354-E358 PolarHBondContact O-N 2.76Å; L355-E358 PolarHBondContact O-N 3.38Å; E358-R362 WeakPolarHBondContact O-CB 3.27Å; E358-R362 WeakPolarHBondContact O-CD 3.49Å; E358-R362 WeakPolarHBondContact O-CG 3.47Å; E358-R362 PolarHBondContact O-N 3.41Å; E358-R362 VanDerWaalsContact OE1-CD 3.23Å; E358-R362 WeakPolarHBondContact OE1-CD 3.48Å; E358-R362 IonicContact OE1-CZ 3.81Å; E358-R362 IonicContact OE1-NE 2.92Å; E358-R362 IonicContact OE1-NH1 3.35Å; E358-R362 PolarHBondContact OE1-NH1 3.18Å
359L86.5Confident83.4Confident77 Ų7770.9 Ų70.940%0.40335%0.348SS..Hα-helixtrans-66.3-46.1179.9-69.6174.2000112.5M351 L355 R356 Q357 R362 H363M351-L359 HydrophobicContact CE-CD1 4Å; M351-L359 HydrophobicContact SD-CD1 3.66Å; L355-L359 HydrophobicContact CD1-CD1 4.35Å; L355-L359 HydrophobicContact CD1-CG 4.31Å; L355-L359 HydrophobicContact CG-CD1 4.18Å; L355-L359 WeakPolarHBondContact O-CG 3.47Å; L355-L359 PolarHBondContact O-N 3.46Å; R356-L359 PolarHBondContact O-N 2.84Å; Q357-L359 VanDerWaalsContact C-N 3.33Å; Q357-L359 PolarHBondContact O-N 3.01Å; L359-R362 PolarHBondContact O-N 3.06Å; L359-H363 WeakPolarHBondContact O-CB 3.35Å; L359-H363 PolarHBondContact O-N 3.25Å
360I87.3Confident83.7Confident43 Ų4369.1 Ų69.122%0.22134%0.341CS..Hα-helixtrans-61.7-45.4177-69.3167.5000110.7I329 R356 Q357 R362 H363 L364I329-I360 HydrophobicContact CG2-CG2 4.27Å; R356-I360 HydrophobicContact CG-CD1 4.01Å; R356-I360 VanDerWaalsContact O-CG1 3.3Å; R356-I360 WeakPolarHBondContact O-CG1 3.41Å; R356-I360 PolarHBondContact O-N 2.75Å; Q357-I360 PolarHBondContact O-N 3.4Å; I360-R362 PolarHBondContact O-N 3.35Å; I360-H363 PolarHBondContact O-N 2.76Å; I360-L364 HydrophobicContact CG2-CD1 3.99Å; I360-L364 HydrophobicContact CG2-CG 4.48Å; I360-L364 WeakPolarHBondContact O-CG 3.45Å; I360-L364 PolarHBondContact O-N 2.7Å
361H84.6Confident83.6Confident106 Ų10666.5 Ų66.549%0.49133%0.331SS..Hα-helixtrans-61-42.5177.9177.566.9000112.2Q357 L364 I365Q357-H361 VanDerWaalsContact O-CB 3.27Å; Q357-H361 WeakPolarHBondContact O-CB 3.3Å; Q357-H361 PolarHBondContact O-N 2.92Å; H361-L364 PolarHBondContact O-N 2.89Å; H361-I365 WeakPolarHBondContact NE2-CD1 3.41Å; H361-I365 WeakPolarHBondContact O-CG1 3.34Å; H361-I365 PolarHBondContact O-N 3.49Å
362R85.4Confident83.3Confident80 Ų8068.8 Ų68.830%0.30234%0.341SS..Hα-helixtrans-71.3-31.1178-68.7172.664.3-147.4-18112.4E358 L359 I360 T366 A479E358-R362 WeakPolarHBondContact O-CB 3.27Å; E358-R362 WeakPolarHBondContact O-CD 3.49Å; E358-R362 WeakPolarHBondContact O-CG 3.47Å; E358-R362 PolarHBondContact O-N 3.41Å; E358-R362 VanDerWaalsContact OE1-CD 3.23Å; E358-R362 WeakPolarHBondContact OE1-CD 3.48Å; E358-R362 IonicContact OE1-CZ 3.81Å; E358-R362 IonicContact OE1-NE 2.92Å; E358-R362 IonicContact OE1-NH1 3.35Å; E358-R362 PolarHBondContact OE1-NH1 3.18Å; L359-R362 PolarHBondContact O-N 3.06Å; I360-R362 PolarHBondContact O-N 3.35Å; R362-T366 PolarHBondContact O-N 3.42Å; R362-T366 VanDerWaalsContact O-N 3.16Å; R362-T366 PolarHBondContact O-OG1 3.39Å; R362-A479 HydrophobicContact CB-CB 3.98Å; R362-A479 HydrophobicContact CG-CB 4.38Å; R362-A479 WeakPolarHBondContact CG-O 3.38Å; R362-A479 PolarHBondContact NE-O 3.22Å; R362-A479 VanDerWaalsContact O-CB 3.23Å; R362-A479 WeakPolarHBondContact O-CB 3.35Å
363H85.3Confident82.8Confident104 Ų10471.2 Ų71.248%0.48136%0.356SS..Hα-helixtrans-66.2-48.8170.9-175.460.5000111.4L359 I360 I365 T366 M367L359-H363 WeakPolarHBondContact O-CB 3.35Å; L359-H363 PolarHBondContact O-N 3.25Å; I360-H363 PolarHBondContact O-N 2.76Å; H363-I365 PolarHBondContact O-N 3.25Å; H363-T366 WeakPolarHBondContact O-CA 3.34Å; H363-T366 WeakPolarHBondContact O-CB 3.4Å; H363-T366 PolarHBondContact O-N 3.45Å; H363-M367 PolarHBondContact NE2-SD 3.44Å; H363-M367 VanDerWaalsContact NE2-SD 3.39Å; H363-M367 PolarHBondContact O-N 2.91Å
364L87.4Confident82.3Confident59 Ų5973.1 Ų73.131%0.30936%0.362SS..Hα-helixtrans-54.8-48175.3-74.3166000112.4I329 I360 H361 T366 M367 A368I329-L364 HydrophobicContact CD1-CD2 3.51Å; I329-L364 HydrophobicContact CG2-CD2 4.32Å; I360-L364 HydrophobicContact CG2-CD1 3.99Å; I360-L364 HydrophobicContact CG2-CG 4.48Å; I360-L364 WeakPolarHBondContact O-CG 3.45Å; I360-L364 PolarHBondContact O-N 2.7Å; H361-L364 PolarHBondContact O-N 2.89Å; L364-T366 VanDerWaalsContact C-N 3.26Å; L364-T366 PolarHBondContact O-N 3.2Å; L364-M367 PolarHBondContact O-N 3.49Å; L364-A368 PolarHBondContact O-N 3.2Å
365I85.4Confident81.9Confident48 Ų4869.4 Ų69.425%0.24635%0.347CS..Hα-helixtrans-60.9-34.7175.8-74.3172.2000112.1H361 H363 A368 K414 F477 A479H361-I365 WeakPolarHBondContact NE2-CD1 3.41Å; H361-I365 WeakPolarHBondContact O-CG1 3.34Å; H361-I365 PolarHBondContact O-N 3.49Å; H363-I365 PolarHBondContact O-N 3.25Å; I365-A368 WeakPolarHBondContact O-CB 3.29Å; I365-K414 WeakPolarHBondContact O-CE 3.21Å; I365-F477 HydrophobicContact CG2-CE1 4.23Å; I365-F477 HydrophobicContact CG2-CZ 3.77Å; I365-A479 HydrophobicContact CB-CB 4.14Å; I365-A479 HydrophobicContact CG2-CB 3.75Å
366T86.3Confident81.5Confident47 Ų4772.4 Ų72.429%0.28837%0.369SS..Hα-helixtrans-70.7-38.7177.7-54.60000111.4R362 H363 L364 A368 K414 P423 A479R362-T366 PolarHBondContact O-N 3.42Å; R362-T366 VanDerWaalsContact O-N 3.16Å; R362-T366 PolarHBondContact O-OG1 3.39Å; H363-T366 WeakPolarHBondContact O-CA 3.34Å; H363-T366 WeakPolarHBondContact O-CB 3.4Å; H363-T366 PolarHBondContact O-N 3.45Å; L364-T366 VanDerWaalsContact C-N 3.26Å; L364-T366 PolarHBondContact O-N 3.2Å; T366-A368 VanDerWaalsContact C-N 3.34Å; T366-K414 WeakPolarHBondContact O-CD 3.46Å; T366-K414 VanDerWaalsContact O-CE 3.26Å; T366-K414 WeakPolarHBondContact O-CE 3.11Å; T366-K414 PolarHBondContact O-NZ 3.25Å; T366-P423 HydrophobicContact CG2-CB 4.23Å; T366-P423 HydrophobicContact CG2-CG 3.93Å; T366-A479 WeakPolarHBondContact OG1-CB 3.35Å
367M84.4Confident81.3Confident87 Ų8776 Ų7643%0.42939%0.392SS..Hα-helixtrans-78.6-9.2177.5-64.9-16878.700114.7H363 L364 Q369H363-M367 PolarHBondContact NE2-SD 3.44Å; H363-M367 VanDerWaalsContact NE2-SD 3.39Å; H363-M367 PolarHBondContact O-N 2.91Å; L364-M367 PolarHBondContact O-N 3.49Å; M367-Q369 PolarHBondContact O-N 3.12Å
368A82.6Confident81.3Confident23 Ų2371.6 Ų71.619%0.1937%0.372CS..  trans-55136-178.800000112.8L364 I365 T366 F389 K414L364-A368 PolarHBondContact O-N 3.2Å; I365-A368 WeakPolarHBondContact O-CB 3.29Å; T366-A368 VanDerWaalsContact C-N 3.34Å; A368-F389 HydrophobicContact CB-CD1 4.32Å; A368-F389 HydrophobicContact CB-CD2 4.15Å; A368-F389 HydrophobicContact CB-CE1 4.23Å; A368-F389 HydrophobicContact CB-CE2 4.05Å; A368-F389 HydrophobicContact CB-CG 4.28Å; A368-F389 HydrophobicContact CB-CZ 4.09Å; A368-K414 WeakPolarHBondContact O-CE 3.38Å; A368-K414 PolarHBondContact O-NZ 3.36Å
369Q81.1Confident81.5Confident126 Ų12670.3 Ų70.359%0.58937%0.368SS*.  trans-130.8155.6-179.9-71.2178.2-5.300109.9M367M367-Q369 PolarHBondContact O-N 3.12Å
370I80.6Confident81.6Confident18 Ų1870.5 Ų70.59%0.09238%0.376CS..  trans-82.2138.4173.9-70.1176.1000109.1H372 N375 V378 L388 F389 P390I370-H372 PolarHBondContact O-N 3Å; I370-N375 HydrophobicContact CG2-CB 3.66Å; I370-V378 HydrophobicContact CD1-CB 3.86Å; I370-V378 HydrophobicContact CD1-CG1 3.61Å; I370-V378 HydrophobicContact CD1-CG2 4.04Å; I370-L388 WeakPolarHBondContact CD1-O 3.23Å; I370-L388 WeakPolarHBondContact CG1-O 3.4Å; I370-F389 HydrophobicContact CG1-CB 4.35Å; I370-F389 HydrophobicContact CG1-CD2 3.95Å; I370-P390 HydrophobicContact CD1-CG 4.17Å
371D77.1Confident81.7Confident52 Ų5273.4 Ų73.428%0.27839%0.389SS..  trans-75.7106153.6-164.8-39.9000109.3V323 S373 E374 N375V323-D371 HydrophobicContact CG2-CB 3.96Å; D371-S373 PolarHBondContact O-N 3.21Å; D371-S373 VanDerWaalsContact OD1-CB 3.28Å; D371-S373 WeakPolarHBondContact OD1-CB 3.46Å; D371-S373 PolarHBondContact OD1-N 3.49Å; D371-S373 PolarHBondContact OD1-OG 2.95Å; D371-E374 PolarHBondContact O-N 2.81Å; D371-N375 PolarHBondContact O-N 3.11Å
372H74.8Confident82.1Confident86 Ų8668.4 Ų68.440%0.39837%0.366SS..THydrogen-bonded Turntrans-66.4-14.3-177.5-77.4-75.2000113.1I370I370-H372 PolarHBondContact O-N 3Å
373S72.6Confident82.4Confident97 Ų9768.8 Ų68.868%0.67837%0.374SS*.THydrogen-bonded Turntrans-73-31.2174.2710000112.7D371D371-S373 PolarHBondContact O-N 3.21Å; D371-S373 VanDerWaalsContact OD1-CB 3.28Å; D371-S373 WeakPolarHBondContact OD1-CB 3.46Å; D371-S373 PolarHBondContact OD1-N 3.49Å; D371-S373 PolarHBondContact OD1-OG 2.95Å
374E70.6Confident82.8Confident105 Ų10564.8 Ų64.849%0.49136%0.357SS..THydrogen-bonded Turntrans-91.8-18.8177.7-65.5-168.2-175.400113.6A320 G321 D371 P376A320-E374 WeakPolarHBondContact CB-OE2 3.44Å; G321-E374 WeakPolarHBondContact CA-OE2 3.46Å; G321-E374 PolarHBondContact N-OE2 2.78Å; D371-E374 PolarHBondContact O-N 2.81Å; E374-P376 VanDerWaalsContact C-CD 3.46Å
375N72.8Confident83.1Confident46 Ų4662.1 Ų62.125%0.24634%0.344CS..  trans-128.161.9-174.8-68-98000112.8I370 D371 D377 V378I370-N375 HydrophobicContact CG2-CB 3.66Å; D371-N375 PolarHBondContact O-N 3.11Å; N375-D377 PolarHBondContact O-N 3.09Å; N375-V378 HydrophobicContact CB-CG2 4.48Å; N375-V378 PolarHBondContact O-N 3.49Å
376P74.8Confident83.5Confident104 Ų10462.6 Ų62.668%0.67534%0.344SS*.THydrogen-bonded Turntrans-65.6-20.7-177.228-36.5000114.1E374 V378E374-P376 VanDerWaalsContact C-CD 3.46Å; P376-V378 PolarHBondContact O-N 3.33Å
377D79.4Confident83.6Confident139 Ų13962 Ų6274%0.74334%0.343SS*.THydrogen-bonded Turntrans-71.9-9.1178.7-66-27.8000113.8N375N375-D377 PolarHBondContact O-N 3.09Å
378V85.1Confident84Confident5 Ų558 Ų583%0.0332%0.322CS..SBendtrans-100.5113.3178.4-1720000110I370 N375 P376 L388 L394 Y413I370-V378 HydrophobicContact CD1-CB 3.86Å; I370-V378 HydrophobicContact CD1-CG1 3.61Å; I370-V378 HydrophobicContact CD1-CG2 4.04Å; N375-V378 HydrophobicContact CB-CG2 4.48Å; N375-V378 PolarHBondContact O-N 3.49Å; P376-V378 PolarHBondContact O-N 3.33Å; V378-L388 HydrophobicContact CG1-CB 3.8Å; V378-L388 HydrophobicContact CG1-CD2 4.14Å; V378-L394 HydrophobicContact CG2-CD1 4.24Å; V378-Y413 HydrophobicContact CG1-CD1 4.39Å; V378-Y413 HydrophobicContact CG1-CE1 4.25Å; V378-Y413 HydrophobicContact CG2-CE1 4.33Å
379P88.8Confident84.3Confident24 Ų2458.9 Ų58.916%0.15632%0.322CS..  trans-64145.7178.427.4-35.3000111.5E381 V382 A465 F466P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 3.18Å; P379-V382 HydrophobicContact CB-CG2 4.25Å; P379-V382 HydrophobicContact CG-CG2 3.54Å; P379-A465 HydrophobicContact CB-CB 4.26Å; P379-A465 HydrophobicContact CG-CB 4.21Å; P379-F466 HydrophobicContact CG-CD1 3.58Å; P379-F466 HydrophobicContact CG-CE1 3.72Å; P379-F466 HydrophobicContact CG-CG 4.05Å; P379-F466 HydrophobicContact CG-CZ 4.3Å
380S87.1Confident84.7Confident81 Ų8154.1 Ų54.157%0.56630%0.303SS*.SBendtrans-65.4-34.1178.348.60000113.4H386 S387S380-H386 WeakPolarHBondContact O-CA 3.28Å; S380-S387 PolarHBondContact O-N 3.11Å
381E90Very high85Confident105 Ų10556.5 Ų56.549%0.49132%0.315SS..EExtended strand (participates in β ladder)trans-140.1143.4-178.6-173.6171.3-14300111.2P379 Y385P379-E381 VanDerWaalsContact C-N 3.33Å; P379-E381 PolarHBondContact O-N 3.18Å; E381-Y385 CarbonylContact C-O 3.54Å; E381-Y385 VanDerWaalsContact CA-O 3.32Å; E381-Y385 WeakPolarHBondContact CA-O 3.32Å
382V91.9Very high85.1Confident1 Ų157.1 Ų57.11%0.00632%0.316CS..EExtended strand (participates in β ladder)trans-141.9103.6-177.3179.10000109.3P379 S384 Y385 L388 F461 T463 A465 F466P379-V382 HydrophobicContact CB-CG2 4.25Å; P379-V382 HydrophobicContact CG-CG2 3.54Å; V382-S384 PolarHBondContact O-N 3.47Å; V382-Y385 PolarHBondContact N-O 3.03Å; V382-Y385 WeakPolarHBondContact O-CB 3.28Å; V382-Y385 PolarHBondContact O-N 2.76Å; V382-L388 HydrophobicContact CB-CD2 4.49Å; V382-L388 HydrophobicContact CG2-CD1 4.13Å; V382-L388 HydrophobicContact CG2-CD2 3.64Å; V382-F461 HydrophobicContact CG1-CE2 3.88Å; V382-F461 HydrophobicContact CG1-CZ 4.08Å; V382-T463 HydrophobicContact CG1-CG2 3.96Å; V382-A465 HydrophobicContact CG2-CB 4Å; V382-F466 HydrophobicContact CG1-CE2 3.87Å; V382-F466 HydrophobicContact CG1-CZ 4.41Å; V382-F466 HydrophobicContact CG2-CE1 4.45Å; V382-F466 HydrophobicContact CG2-CE2 3.92Å; V382-F466 HydrophobicContact CG2-CZ 3.84Å
383D91.8Very high84.7Confident87 Ų8759.1 Ų59.147%0.46534%0.337SS..THydrogen-bonded Turntrans53.8-119.9-166.7-165.6-55.9000109.1Y385 F461D383-Y385 VanDerWaalsContact C-N 3.34Å; D383-Y385 PolarHBondContact O-N 3.03Å; D383-F461 HydrophobicContact CB-CD2 3.89Å; D383-F461 HydrophobicContact CB-CE2 3.55Å; D383-F461 HydrophobicContact CB-CZ 4.01Å
384S93.6Very high84Confident20 Ų2057.8 Ų57.814%0.1432%0.322CS..THydrogen-bonded Turntrans-98.326.8-176.7-50.60000112.5V382 N417 S418 K419V382-S384 PolarHBondContact O-N 3.47Å; S384-N417 WeakPolarHBondContact O-CA 3.35Å; S384-N417 PolarHBondContact O-ND2 3.06Å; S384-S418 PolarHBondContact O-N 3.42Å; S384-S418 PolarHBondContact O-OG 2.92Å; S384-K419 VanDerWaalsContact CB-CE 3.47Å; S384-K419 VanDerWaalsContact CB-NZ 3.35Å; S384-K419 WeakPolarHBondContact OG-CE 3.5Å; S384-K419 PolarHBondContact OG-NZ 3.42Å
385Y95.1Very high83.4Confident4 Ų455.4 Ų55.42%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-130.8127.8-173.6-64.2-89.9000111.9E381 V382 D383 A415 V416 N417 Y424 L426 E459 F461 S474E381-Y385 CarbonylContact C-O 3.54Å; E381-Y385 VanDerWaalsContact CA-O 3.32Å; E381-Y385 WeakPolarHBondContact CA-O 3.32Å; V382-Y385 PolarHBondContact N-O 3.03Å; V382-Y385 WeakPolarHBondContact O-CB 3.28Å; V382-Y385 PolarHBondContact O-N 2.76Å; D383-Y385 VanDerWaalsContact C-N 3.34Å; D383-Y385 PolarHBondContact O-N 3.03Å; Y385-A415 HydrophobicContact CD1-CB 4.35Å; Y385-V416 CarbonylContact C-O 3.57Å; Y385-V416 VanDerWaalsContact CA-O 3.23Å; Y385-V416 WeakPolarHBondContact CA-O 3.27Å; Y385-N417 HydrophobicContact CD1-CB 3.87Å; Y385-N417 HydrophobicContact CE1-CB 3.73Å; Y385-N417 WeakPolarHBondContact CE1-ND2 3.13Å; Y385-N417 PolarHBondContact OH-ND2 3.33Å; Y385-Y424 HydrophobicContact CD1-CD2 4.41Å; Y385-Y424 AromaticContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CE2 4.46Å; Y385-Y424 HydrophobicContact CE1-CG 4.02Å; Y385-L426 HydrophobicContact CD1-CD1 4.39Å; Y385-L426 HydrophobicContact CD1-CD2 3.99Å; Y385-L426 HydrophobicContact CD2-CD1 4.34Å; Y385-L426 HydrophobicContact CD2-CD2 4.07Å; Y385-L426 HydrophobicContact CE1-CD2 3.96Å; Y385-L426 HydrophobicContact CE2-CD2 4.06Å; Y385-L426 HydrophobicContact CG-CD1 3.95Å; Y385-L426 HydrophobicContact CG-CD2 4.04Å; Y385-L426 HydrophobicContact CG-CG 4.5Å; Y385-E459 PolarHBondContact OH-OE2 3.09Å; Y385-F461 HydrophobicContact CD2-CE1 4.12Å; Y385-F461 HydrophobicContact CD2-CZ 4.08Å; Y385-F461 AromaticContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CZ 4.24Å; Y385-S474 WeakPolarHBondContact OH-CB 3.18Å; Y385-S474 PolarHBondContact OH-OG 3.23Å
386H92.6Very high82.5Confident57 Ų5757.2 Ų57.226%0.26433%0.329SS..EExtended strand (participates in β ladder)trans-121.7177.9-179.968.887000112.3S380 L388 V416S380-H386 WeakPolarHBondContact O-CA 3.28Å; H386-L388 VanDerWaalsContact C-N 3.34Å; H386-L388 PolarHBondContact O-N 3.13Å; H386-V416 PolarHBondContact N-O 3.14Å; H386-V416 PolarHBondContact O-N 3.33Å
387S89.6Confident81.4Confident36 Ų3657.9 Ų57.925%0.25233%0.334SS..EExtended strand (participates in β ladder)trans5349.6176-590000112.7S380S380-S387 PolarHBondContact O-N 3.11Å
388L91.6Very high79.7Confident1 Ų159 Ų591%0.00534%0.34CS..EExtended strand (participates in β ladder)trans-59.5146.4176.7-80.272.2000110.7I370 V378 V382 H386 Y413 K414 A415 F466I370-L388 WeakPolarHBondContact CD1-O 3.23Å; I370-L388 WeakPolarHBondContact CG1-O 3.4Å; V378-L388 HydrophobicContact CG1-CB 3.8Å; V378-L388 HydrophobicContact CG1-CD2 4.14Å; V382-L388 HydrophobicContact CB-CD2 4.49Å; V382-L388 HydrophobicContact CG2-CD1 4.13Å; V382-L388 HydrophobicContact CG2-CD2 3.64Å; H386-L388 VanDerWaalsContact C-N 3.34Å; H386-L388 PolarHBondContact O-N 3.13Å; L388-Y413 HydrophobicContact CD2-CG 4.36Å; L388-K414 CarbonylContact C-O 3.6Å; L388-K414 VanDerWaalsContact CA-O 3.22Å; L388-K414 WeakPolarHBondContact CA-O 3.34Å; L388-A415 HydrophobicContact CD1-CB 4.13Å; L388-A415 HydrophobicContact CG-CB 4.13Å; L388-F466 HydrophobicContact CD2-CE1 3.94Å; L388-F466 HydrophobicContact CD2-CZ 3.78Å
389F90.4Very high77.9Confident42 Ų4266.9 Ų66.918%0.18437%0.369CS..EExtended strand (participates in β ladder)trans-147.3125.8174.4-178.9-89.1000110.4A368 I370 L391 Y413 K414A368-F389 HydrophobicContact CB-CD1 4.32Å; A368-F389 HydrophobicContact CB-CD2 4.15Å; A368-F389 HydrophobicContact CB-CE1 4.23Å; A368-F389 HydrophobicContact CB-CE2 4.05Å; A368-F389 HydrophobicContact CB-CG 4.28Å; A368-F389 HydrophobicContact CB-CZ 4.09Å; I370-F389 HydrophobicContact CG1-CB 4.35Å; I370-F389 HydrophobicContact CG1-CD2 3.95Å; F389-L391 HydrophobicContact CD1-CD2 4.28Å; F389-L391 PolarHBondContact O-N 2.85Å; F389-Y413 CarbonylContact O-C 3.5Å; F389-Y413 WeakPolarHBondContact O-CA 3.12Å; F389-K414 HydrophobicContact CB-CB 4.31Å; F389-K414 PolarHBondContact N-O 2.61Å; F389-K414 PolarHBondContact O-N 2.71Å
390P89.6Confident75.8Confident27 Ų2772.8 Ų72.818%0.17540%0.396CS..EExtended strand (participates in β ladder)trans-74.7128.6-173.4-8.527.9000110.1I370 L394 Y413I370-P390 HydrophobicContact CD1-CG 4.17Å; P390-L394 HydrophobicContact CB-CD2 4.34Å; P390-L394 HydrophobicContact CB-CG 4.38Å; P390-Y413 HydrophobicContact CB-CD1 4.15Å; P390-Y413 HydrophobicContact CB-CE1 4.29Å; P390-Y413 HydrophobicContact CG-CD1 4.29Å; P390-Y413 HydrophobicContact CG-CE1 4.38Å
391L86.8Confident73.9Confident68 Ų6876.2 Ų76.236%0.35640%0.403SS..SBendtrans-98.4-9.8180-67166.7000112.8F389 C412 K414 F477F389-L391 HydrophobicContact CD1-CD2 4.28Å; F389-L391 PolarHBondContact O-N 2.85Å; L391-C412 WeakPolarHBondContact CD1-SG 3.39Å; L391-C412 PolarHBondContact N-O 2.91Å; L391-K414 HydrophobicContact CD1-CB 3.93Å; L391-K414 VanDerWaalsContact CD1-N 3.31Å; L391-K414 HydrophobicContact CD2-CB 4.28Å; L391-K414 HydrophobicContact CG-CB 4.18Å; L391-F477 HydrophobicContact CD1-CD2 4.21Å; L391-F477 HydrophobicContact CD1-CE2 3.61Å; L391-F477 HydrophobicContact CD2-CE2 4.09Å; L391-F477 HydrophobicContact CD2-CZ 4.33Å
392E78.8Confident71.8Confident65 Ų6578.6 Ų78.630%0.30441%0.412SS..SBendtrans-125.5134.8174.1-67.3165.117300106.1L394 C412 R427E392-L394 PolarHBondContact O-N 3.19Å; E392-C412 PolarHBondContact OE2-N 3.21Å; E392-C412 VanDerWaalsContact OE2-N 3.08Å; E392-R427 IonicContact OE1-CZ 3.77Å; E392-R427 IonicContact OE1-NH1 2.91Å; E392-R427 PolarHBondContact OE1-NH1 3.28Å; E392-R427 VanDerWaalsContact OE1-NH1 3.09Å; E392-R427 IonicContact OE1-NH2 3.87Å; E392-R427 PolarHBondContact OE1-NH2 2.99Å; E392-R427 IonicContact OE2-CZ 3.8Å; E392-R427 IonicContact OE2-NH1 3.18Å; E392-R427 PolarHBondContact OE2-NH1 3.24Å; E392-R427 IonicContact OE2-NH2 2.82Å
393P66.4Low70Confident128 Ų12880.7 Ų80.783%0.83143%0.425SS*.PPolyproline II helixtrans-54.3129.9176.4-2634.6000110.7
394L58.4Low68.2Low68 Ų6881.9 Ų81.936%0.35644%0.44SS..PPolyproline II helixtrans-61.5126.2-176.9-66.5175.6000109.4V378 P390 E392 Y413V378-L394 HydrophobicContact CG2-CD1 4.24Å; P390-L394 HydrophobicContact CB-CD2 4.34Å; P390-L394 HydrophobicContact CB-CG 4.38Å; E392-L394 PolarHBondContact O-N 3.19Å; L394-Y413 HydrophobicContact CD2-CE1 4.12Å
395P56.4Low66.8Low55 Ų5583.6 Ų83.636%0.35745%0.448SS..PPolyproline II helixtrans-63.8132.9-177.724.9-33000109.7I409P395-I409 HydrophobicContact CG-CG2 4.05Å
396P54Low65.9Low84 Ų8483.7 Ų83.755%0.54545%0.448SS..PPolyproline II helixtrans-56.7138.2-177.2-26.334.1000111.6N398 R399P396-N398 PolarHBondContact O-N 3.46Å; P396-R399 CarbonylContact O-C 3.58Å; P396-R399 PolarHBondContact O-N 2.77Å
397P52.8Low65.3Low118 Ų11885 Ų8577%0.76646%0.464SS*.THydrogen-bonded Turntrans-57-31.7-170.918.8-31.8000113.5
398N43Very low65.1Low162 Ų16287.4 Ų87.487%0.86647%0.468SS*.THydrogen-bonded Turntrans-90.23.5178.4-67.8-17.4000114.7P396P396-N398 PolarHBondContact O-N 3.46Å
399R47.5Very low64.8Low172 Ų17288.7 Ų88.765%0.64947%0.474SS*.  trans-123.474.3171.3-78.6-168.3178.2173.93.2110.8P396 Q401P396-R399 CarbonylContact O-C 3.58Å; P396-R399 PolarHBondContact O-N 2.77Å; R399-Q401 PolarHBondContact O-N 2.78Å
400M45.2Very low64.7Low148 Ų14887.2 Ų87.273%0.72947%0.469SS*.  trans-66.158167-66.3-175.476.400112.7K402 I409M400-K402 PolarHBondContact O-N 3.25Å; M400-K402 VanDerWaalsContact O-N 3.07Å; M400-I409 HydrophobicContact CB-CD1 3.89Å; M400-I409 HydrophobicContact CE-CD1 3.72Å; M400-I409 HydrophobicContact CG-CD1 3.91Å
401Q46.8Very low64.7Low153 Ų15386 Ų8672%0.71546%0.461SS*.  trans-67.4106.1166.4-73.2-172.6-21.100108R399 T403R399-Q401 PolarHBondContact O-N 2.78Å; Q401-T403 PolarHBondContact O-N 3.39Å
402K46.6Very low64.9Low154 Ų15483.2 Ų83.267%0.6745%0.447SS*.  trans-51.2127.7168.7-66.7178.8176.7-176.70108.1M400 S404 S407M400-K402 PolarHBondContact O-N 3.25Å; M400-K402 VanDerWaalsContact O-N 3.07Å; K402-S404 PolarHBondContact O-N 2.77Å; K402-S404 VanDerWaalsContact O-N 3.11Å; K402-S407 WeakPolarHBondContact CD-O 3.25Å
403T52.9Low65.6Low45 Ų4580.2 Ų80.228%0.27643%0.433SS..  trans-64.7119.817665.50000107.6Q401 N405 F406 S407 Y408Q401-T403 PolarHBondContact O-N 3.39Å; T403-N405 PolarHBondContact O-N 2.94Å; T403-F406 PolarHBondContact O-N 2.76Å; T403-F406 VanDerWaalsContact O-N 3.15Å; T403-S407 PolarHBondContact O-N 2.84Å; T403-Y408 PolarHBondContact N-O 2.84Å; T403-Y408 PolarHBondContact OG1-O 2.93Å
404S53.9Low66.9Low112 Ų11274.4 Ų74.478%0.78340%0.395SS*.THydrogen-bonded Turntrans-50.1-35.1-163.7-170.80000113.3K402K402-S404 PolarHBondContact O-N 2.77Å; K402-S404 VanDerWaalsContact O-N 3.11Å
405N64.2Low68.6Low56 Ų5671.1 Ų71.130%0.29938%0.378SS..THydrogen-bonded Turntrans-82.4-36.8-171.3-55.724.2000112.6T403 D548 S550 F568T403-N405 PolarHBondContact O-N 2.94Å; N405-D548 PolarHBondContact ND2-OD1 2.63Å; N405-S550 PolarHBondContact ND2-OG 3.03Å; N405-F568 WeakPolarHBondContact O-CZ 3.49Å
406F76.6Confident70.4Confident7 Ų769.8 Ų69.83%0.03137%0.368CS..THydrogen-bonded Turntrans-102.7-5.9-173.5-64-53.3000114.5T403 Y408 T410 V546 K551 C564 V567 F568 L571T403-F406 PolarHBondContact O-N 2.76Å; T403-F406 VanDerWaalsContact O-N 3.15Å; F406-Y408 VanDerWaalsContact O-CD2 3.27Å; F406-Y408 WeakPolarHBondContact O-CD2 3.22Å; F406-Y408 PolarHBondContact O-N 2.84Å; F406-T410 HydrophobicContact CB-CG2 4.37Å; F406-T410 HydrophobicContact CD2-CG2 3.9Å; F406-V546 HydrophobicContact CE1-CG1 4.04Å; F406-V546 HydrophobicContact CZ-CG1 4.34Å; F406-K551 HydrophobicContact CE2-CD 4.1Å; F406-K551 HydrophobicContact CZ-CD 4.03Å; F406-C564 HydrophobicContact CE2-CB 4.42Å; F406-C564 HydrophobicContact CZ-CB 3.74Å; F406-V567 HydrophobicContact CD1-CG1 3.73Å; F406-V567 HydrophobicContact CE1-CB 4Å; F406-V567 HydrophobicContact CE1-CG1 3.6Å; F406-V567 HydrophobicContact CG-CG1 4.35Å; F406-V567 HydrophobicContact CZ-CB 4.36Å; F406-V567 HydrophobicContact CZ-CG1 4.11Å; F406-F568 HydrophobicContact CD1-CD1 4.4Å; F406-F568 AromaticContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE2 4.15Å; F406-F568 AromaticContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CE1-CD2 4.29Å; F406-F568 HydrophobicContact CE1-CE1 4.42Å; F406-F568 AromaticContact CE1-CE2 3.9Å; F406-F568 HydrophobicContact CE1-CE2 3.9Å; F406-F568 AromaticContact CE1-CZ 3.98Å; F406-F568 HydrophobicContact CE1-CZ 3.98Å; F406-L571 HydrophobicContact CB-CD1 4.46Å
407S80.7Confident72.3Confident84 Ų8466.1 Ų66.159%0.58734%0.344SS*.SBendtrans63.3-13.8-172.6-59.60000116.4K402 T403K402-S407 WeakPolarHBondContact CD-O 3.25Å; T403-S407 PolarHBondContact O-N 2.84Å
408Y84.1Confident74.2Confident87 Ų8763.2 Ų63.234%0.34133%0.327SS..SBendtrans-98.5168.8170.3-64.6-86.6000111.7T403 F406 I429 F432 L571T403-Y408 PolarHBondContact N-O 2.84Å; T403-Y408 PolarHBondContact OG1-O 2.93Å; F406-Y408 VanDerWaalsContact O-CD2 3.27Å; F406-Y408 WeakPolarHBondContact O-CD2 3.22Å; F406-Y408 PolarHBondContact O-N 2.84Å; Y408-I429 HydrophobicContact CD1-CG2 4.18Å; Y408-I429 HydrophobicContact CD2-CG2 4.12Å; Y408-I429 HydrophobicContact CG-CG2 3.69Å; Y408-F432 HydrophobicContact CD1-CD2 4.48Å; Y408-F432 AromaticContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE2-CD2 4.13Å; Y408-F432 HydrophobicContact CE2-CE2 4.28Å; Y408-F432 AromaticContact CZ-CD2 3.64Å; Y408-F432 AromaticContact CZ-CE2 3.91Å; Y408-L571 HydrophobicContact CD2-CD1 3.96Å; Y408-L571 HydrophobicContact CD2-CD2 4.42Å; Y408-L571 HydrophobicContact CE2-CD1 4.31Å; Y408-L571 HydrophobicContact CE2-CD2 4.24Å
409I85Confident76.6Confident27 Ų2762 Ų6214%0.13831%0.314CS..  trans-81.5137.1163.3-61172.7000107.7P395 M400 H430P395-I409 HydrophobicContact CG-CG2 4.05Å; M400-I409 HydrophobicContact CB-CD1 3.89Å; M400-I409 HydrophobicContact CE-CD1 3.72Å; M400-I409 HydrophobicContact CG-CD1 3.91Å; I409-H430 HydrophobicContact CB-CB 4.19Å; I409-H430 HydrophobicContact CG2-CB 4.47Å; I409-H430 PolarHBondContact O-CD2 3.29Å; I409-H430 PolarHBondContact O-N 3.47Å
410T89.1Confident78.8Confident12 Ų1257.3 Ų57.37%0.07430%0.302CS..EExtended strand (participates in β ladder)trans-136.1150.1177.880.30000111.6F406 R427 R428 I429F406-T410 HydrophobicContact CB-CG2 4.37Å; F406-T410 HydrophobicContact CD2-CG2 3.9Å; T410-R427 PolarHBondContact OG1-NH1 3.47Å; T410-R428 WeakPolarHBondContact CA-O 3.42Å; T410-R428 WeakPolarHBondContact CB-O 3.35Å; T410-I429 HydrophobicContact CG2-CD1 3.48Å; T410-I429 VanDerWaalsContact CG2-CD1 3.48Å
411S89.9Confident80.9Confident2 Ų256.2 Ų56.21%0.01430%0.299CS..EExtended strand (participates in β ladder)trans-137.5142.7167.346.80000110.1Y413 R427 R428 H430S411-Y413 WeakPolarHBondContact OG-CE2 3.36Å; S411-Y413 PolarHBondContact OG-OH 2.82Å; S411-R427 CarbonylContact O-C 3.52Å; S411-R427 WeakPolarHBondContact O-CA 3.48Å; S411-R428 PolarHBondContact N-O 2.9Å; S411-R428 VanDerWaalsContact N-O 3.11Å; S411-R428 PolarHBondContact O-N 2.7Å; S411-H430 PolarHBondContact OG-NE2 2.94Å
412C91.4Very high83Confident8 Ų853.2 Ų53.25%0.05429%0.287CS..EExtended strand (participates in β ladder)trans-100.8136166.2168.90000110.9L391 E392 C425 L426L391-C412 WeakPolarHBondContact CD1-SG 3.39Å; L391-C412 PolarHBondContact N-O 2.91Å; E392-C412 PolarHBondContact OE2-N 3.21Å; E392-C412 VanDerWaalsContact OE2-N 3.08Å; C412-C425 WeakPolarHBondContact CB-SG 3.48Å; C412-C425 WeakPolarHBondContact SG-CB 3.46Å; C412-C425 CovalentContact SG-SG 2.06Å; C412-C425 PolarHBondContact SG-SG 3.39Å; C412-L426 WeakPolarHBondContact CA-O 3.37Å
413Y92.6Very high85.3Confident3 Ų347.7 Ų47.71%0.01227%0.267CS..EExtended strand (participates in β ladder)trans-118.7139.7171.5-51.3-96.4000109.4V378 L388 F389 P390 L394 S411 C425 L426 R428 F466V378-Y413 HydrophobicContact CG1-CD1 4.39Å; V378-Y413 HydrophobicContact CG1-CE1 4.25Å; V378-Y413 HydrophobicContact CG2-CE1 4.33Å; L388-Y413 HydrophobicContact CD2-CG 4.36Å; F389-Y413 CarbonylContact O-C 3.5Å; F389-Y413 WeakPolarHBondContact O-CA 3.12Å; P390-Y413 HydrophobicContact CB-CD1 4.15Å; P390-Y413 HydrophobicContact CB-CE1 4.29Å; P390-Y413 HydrophobicContact CG-CD1 4.29Å; P390-Y413 HydrophobicContact CG-CE1 4.38Å; L394-Y413 HydrophobicContact CD2-CE1 4.12Å; S411-Y413 WeakPolarHBondContact OG-CE2 3.36Å; S411-Y413 PolarHBondContact OG-OH 2.82Å; Y413-C425 CarbonylContact O-C 3.52Å; Y413-C425 VanDerWaalsContact O-CA 3.31Å; Y413-C425 WeakPolarHBondContact O-CA 3.46Å; Y413-L426 PolarHBondContact N-O 3Å; Y413-L426 PolarHBondContact O-N 2.84Å; Y413-R428 HydrophobicContact CE2-CB 4Å; Y413-F466 HydrophobicContact CD2-CZ 4.29Å; Y413-F466 HydrophobicContact CE1-CE1 4.4Å; Y413-F466 AromaticContact CE2-CE1 3.88Å; Y413-F466 HydrophobicContact CE2-CE1 3.88Å; Y413-F466 AromaticContact CE2-CZ 3.93Å; Y413-F466 HydrophobicContact CE2-CZ 3.93Å; Y413-F466 AromaticContact CZ-CE1 3.83Å
414K94.1Very high87.3Confident5 Ų546.5 Ų46.52%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-68.9136.6156.8178.2-177.570.477.90107.1I365 T366 A368 L388 F389 L391 Y424 F477I365-K414 WeakPolarHBondContact O-CE 3.21Å; T366-K414 WeakPolarHBondContact O-CD 3.46Å; T366-K414 VanDerWaalsContact O-CE 3.26Å; T366-K414 WeakPolarHBondContact O-CE 3.11Å; T366-K414 PolarHBondContact O-NZ 3.25Å; A368-K414 WeakPolarHBondContact O-CE 3.38Å; A368-K414 PolarHBondContact O-NZ 3.36Å; L388-K414 CarbonylContact C-O 3.6Å; L388-K414 VanDerWaalsContact CA-O 3.22Å; L388-K414 WeakPolarHBondContact CA-O 3.34Å; F389-K414 HydrophobicContact CB-CB 4.31Å; F389-K414 PolarHBondContact N-O 2.61Å; F389-K414 PolarHBondContact O-N 2.71Å; L391-K414 HydrophobicContact CD1-CB 3.93Å; L391-K414 VanDerWaalsContact CD1-N 3.31Å; L391-K414 HydrophobicContact CD2-CB 4.28Å; L391-K414 HydrophobicContact CG-CB 4.18Å; K414-Y424 CarbonylContact C-O 3.59Å; K414-Y424 WeakPolarHBondContact CA-O 3.21Å; K414-F477 HydrophobicContact CB-CE2 4.22Å; K414-F477 HydrophobicContact CB-CZ 4.32Å; K414-F477 HydrophobicContact CD-CD1 4.24Å; K414-F477 HydrophobicContact CD-CE1 3.64Å; K414-F477 HydrophobicContact CD-CE2 4.45Å; K414-F477 HydrophobicContact CD-CZ 3.76Å; K414-F477 HydrophobicContact CG-CD1 4.33Å; K414-F477 HydrophobicContact CG-CD2 4.46Å; K414-F477 HydrophobicContact CG-CE1 4.11Å; K414-F477 HydrophobicContact CG-CE2 4.3Å; K414-F477 HydrophobicContact CG-CG 4.49Å; K414-F477 HydrophobicContact CG-CZ 4.1Å
415A94.1Very high89.3Confident0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-142.9162.816800000109.9Y385 L388 P423 Y424 L426Y385-A415 HydrophobicContact CD1-CB 4.35Å; L388-A415 HydrophobicContact CD1-CB 4.13Å; L388-A415 HydrophobicContact CG-CB 4.13Å; A415-P423 CarbonylContact O-C 3.59Å; A415-P423 VanDerWaalsContact O-CA 3.32Å; A415-P423 WeakPolarHBondContact O-CA 3.46Å; A415-Y424 PolarHBondContact N-O 2.66Å; A415-Y424 PolarHBondContact O-N 3.38Å; A415-L426 HydrophobicContact CB-CD1 3.59Å; A415-L426 HydrophobicContact CB-CG 3.94Å
416V93.1Very high90.8Very high27 Ų2739 Ų3916%0.16421%0.209CC..EExtended strand (participates in β ladder)trans-106.3139.3174-179.30000108.8Y385 H386 L422Y385-V416 CarbonylContact C-O 3.57Å; Y385-V416 VanDerWaalsContact CA-O 3.23Å; Y385-V416 WeakPolarHBondContact CA-O 3.27Å; H386-V416 PolarHBondContact N-O 3.14Å; H386-V416 PolarHBondContact O-N 3.33Å; V416-L422 WeakPolarHBondContact CA-O 3.18Å
417N94.2Very high91.7Very high7 Ų739.1 Ų39.14%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-91.8126.7179.7-169.6-76.3000112.2S384 Y385 K419 D420 D421 L422 Y424S384-N417 WeakPolarHBondContact O-CA 3.35Å; S384-N417 PolarHBondContact O-ND2 3.06Å; Y385-N417 HydrophobicContact CD1-CB 3.87Å; Y385-N417 HydrophobicContact CE1-CB 3.73Å; Y385-N417 WeakPolarHBondContact CE1-ND2 3.13Å; Y385-N417 PolarHBondContact OH-ND2 3.33Å; N417-K419 PolarHBondContact O-N 3.45Å; N417-K419 WeakPolarHBondContact OD1-CB 3.27Å; N417-K419 WeakPolarHBondContact OD1-CG 3.34Å; N417-K419 PolarHBondContact OD1-N 3.32Å; N417-D420 PolarHBondContact O-N 2.94Å; N417-D421 WeakPolarHBondContact O-CA 3.44Å; N417-D421 PolarHBondContact O-N 3.07Å; N417-L422 PolarHBondContact N-O 3.38Å; N417-Y424 HydrophobicContact CB-CD2 3.92Å; N417-Y424 HydrophobicContact CB-CE2 3.73Å
418S94Very high92.3Very high57 Ų5736.3 Ų36.340%0.39919%0.186SC..THydrogen-bonded Turntrans-68.32.9-176.1-33.90000115.1S384S384-S418 PolarHBondContact O-N 3.42Å; S384-S418 PolarHBondContact O-OG 2.92Å
419K93.3Very high92.8Very high136 Ų13632.1 Ų32.159%0.59117%0.17SC*.THydrogen-bonded Turntrans-111.4-18.3-177.1-55.1166-176.3155.30113.8S384 N417S384-K419 VanDerWaalsContact CB-CE 3.47Å; S384-K419 VanDerWaalsContact CB-NZ 3.35Å; S384-K419 WeakPolarHBondContact OG-CE 3.5Å; S384-K419 PolarHBondContact OG-NZ 3.42Å; N417-K419 PolarHBondContact O-N 3.45Å; N417-K419 WeakPolarHBondContact OD1-CB 3.27Å; N417-K419 WeakPolarHBondContact OD1-CG 3.34Å; N417-K419 PolarHBondContact OD1-N 3.32Å
420D92.6Very high93.1Very high74 Ų7432.7 Ų32.740%0.39617%0.172SC..THydrogen-bonded Turntrans-145.12.8179.459.726.5000114.7N417 L422 Y424N417-D420 PolarHBondContact O-N 2.94Å; D420-L422 HydrophobicContact CB-CG 4.31Å; D420-L422 WeakPolarHBondContact O-CG 3.44Å; D420-L422 PolarHBondContact O-N 3.49Å; D420-L422 VanDerWaalsContact O-N 3.12Å; D420-L422 WeakPolarHBondContact OD1-CB 3.44Å; D420-L422 PolarHBondContact OD1-N 3.2Å; D420-Y424 PolarHBondContact OD2-OH 3.3Å
421D89.4Confident93Very high125 Ų12534.7 Ų34.767%0.66819%0.194SC*.  trans57.517.8-179.7-57.5-46.5000114.6N417N417-D421 WeakPolarHBondContact O-CA 3.44Å; N417-D421 PolarHBondContact O-N 3.07Å
422L92.3Very high93Very high89 Ų8935.7 Ų35.747%0.46620%0.198SC..  trans-89.9149.7-179.4-59.7-177.4000112.8V416 N417 D420 Y424V416-L422 WeakPolarHBondContact CA-O 3.18Å; N417-L422 PolarHBondContact N-O 3.38Å; D420-L422 HydrophobicContact CB-CG 4.31Å; D420-L422 WeakPolarHBondContact O-CG 3.44Å; D420-L422 PolarHBondContact O-N 3.49Å; D420-L422 VanDerWaalsContact O-N 3.12Å; D420-L422 WeakPolarHBondContact OD1-CB 3.44Å; D420-L422 PolarHBondContact OD1-N 3.2Å; L422-Y424 HydrophobicContact CB-CE2 3.75Å; L422-Y424 WeakPolarHBondContact O-CD2 3.28Å; L422-Y424 WeakPolarHBondContact O-CE2 3.19Å
423P93.4Very high92.9Very high39 Ų3943.3 Ų43.325%0.25323%0.226SC..EExtended strand (participates in β ladder)trans-85.4139.9177.533.7-35.2000113.2T366 A415 F477T366-P423 HydrophobicContact CG2-CB 4.23Å; T366-P423 HydrophobicContact CG2-CG 3.93Å; A415-P423 CarbonylContact O-C 3.59Å; A415-P423 VanDerWaalsContact O-CA 3.32Å; A415-P423 WeakPolarHBondContact O-CA 3.46Å; P423-F477 VanDerWaalsContact C-CB 3.49Å; P423-F477 HydrophobicContact CB-CB 4.04Å; P423-F477 HydrophobicContact CB-CD1 3.87Å; P423-F477 HydrophobicContact CB-CG 4.29Å; P423-F477 HydrophobicContact CG-CB 4.32Å; P423-F477 HydrophobicContact CG-CD1 4.16Å; P423-F477 WeakPolarHBondContact O-CB 3.29Å; P423-F477 PolarHBondContact O-N 2.92Å
424Y95.8Very high92.6Very high20 Ų2045.6 Ų45.68%0.07824%0.238CC..EExtended strand (participates in β ladder)trans-133.9152.5179.9-64.6-80.6000112Y385 K414 A415 N417 D420 L422 R458 Y475Y385-Y424 HydrophobicContact CD1-CD2 4.41Å; Y385-Y424 AromaticContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CD2 3.68Å; Y385-Y424 HydrophobicContact CE1-CE2 4.46Å; Y385-Y424 HydrophobicContact CE1-CG 4.02Å; K414-Y424 CarbonylContact C-O 3.59Å; K414-Y424 WeakPolarHBondContact CA-O 3.21Å; A415-Y424 PolarHBondContact N-O 2.66Å; A415-Y424 PolarHBondContact O-N 3.38Å; N417-Y424 HydrophobicContact CB-CD2 3.92Å; N417-Y424 HydrophobicContact CB-CE2 3.73Å; D420-Y424 PolarHBondContact OD2-OH 3.3Å; L422-Y424 HydrophobicContact CB-CE2 3.75Å; L422-Y424 WeakPolarHBondContact O-CD2 3.28Å; L422-Y424 WeakPolarHBondContact O-CE2 3.19Å; Y424-R458 HydrophobicContact CD1-CG 4.21Å; Y424-R458 HydrophobicContact CE1-CG 3.86Å; Y424-Y475 CarbonylContact C-O 3.52Å; Y424-Y475 VanDerWaalsContact CA-O 3.31Å; Y424-Y475 WeakPolarHBondContact CA-O 3.42Å; Y424-Y475 WeakPolarHBondContact CB-O 3.35Å; Y424-Y475 WeakPolarHBondContact CD1-O 3.35Å
425C95.8Very high92.2Very high9 Ų952.2 Ų52.26%0.06128%0.279CS..EExtended strand (participates in β ladder)trans-86.9117.8160.21640000108.8C412 Y413 Y475C412-C425 WeakPolarHBondContact CB-SG 3.48Å; C412-C425 WeakPolarHBondContact SG-CB 3.46Å; C412-C425 CovalentContact SG-SG 2.06Å; C412-C425 PolarHBondContact SG-SG 3.39Å; Y413-C425 CarbonylContact O-C 3.52Å; Y413-C425 VanDerWaalsContact O-CA 3.31Å; Y413-C425 WeakPolarHBondContact O-CA 3.46Å; C425-Y475 PolarHBondContact N-O 2.96Å; C425-Y475 PolarHBondContact O-N 2.89Å
426L96.3Very high91.5Very high2 Ų254.2 Ų54.21%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-90.3104.1166.5-59.9-174.5000108.7Y385 C412 Y413 A415 R428 F461 V472 F473Y385-L426 HydrophobicContact CD1-CD1 4.39Å; Y385-L426 HydrophobicContact CD1-CD2 3.99Å; Y385-L426 HydrophobicContact CD2-CD1 4.34Å; Y385-L426 HydrophobicContact CD2-CD2 4.07Å; Y385-L426 HydrophobicContact CE1-CD2 3.96Å; Y385-L426 HydrophobicContact CE2-CD2 4.06Å; Y385-L426 HydrophobicContact CG-CD1 3.95Å; Y385-L426 HydrophobicContact CG-CD2 4.04Å; Y385-L426 HydrophobicContact CG-CG 4.5Å; C412-L426 WeakPolarHBondContact CA-O 3.37Å; Y413-L426 PolarHBondContact N-O 3Å; Y413-L426 PolarHBondContact O-N 2.84Å; A415-L426 HydrophobicContact CB-CD1 3.59Å; A415-L426 HydrophobicContact CB-CG 3.94Å; L426-R428 PolarHBondContact O-N 3.13Å; L426-F461 HydrophobicContact CD2-CE1 4.48Å; L426-V472 HydrophobicContact CB-CG1 3.78Å; L426-V472 HydrophobicContact CD2-CG1 4.02Å; L426-V472 HydrophobicContact CG-CG1 4.32Å; L426-F473 CarbonylContact C-O 3.4Å; L426-F473 WeakPolarHBondContact CA-O 3.37Å
427R94.4Very high91.3Very high9 Ų958 Ų583%0.03431%0.313CS..EExtended strand (participates in β ladder)trans-86.8107.3169.3-175.4165.4-65.1-76.5-4.6110E392 T410 S411 I429 V472 F473 Y475 C564E392-R427 IonicContact OE1-CZ 3.77Å; E392-R427 IonicContact OE1-NH1 2.91Å; E392-R427 PolarHBondContact OE1-NH1 3.28Å; E392-R427 VanDerWaalsContact OE1-NH1 3.09Å; E392-R427 IonicContact OE1-NH2 3.87Å; E392-R427 PolarHBondContact OE1-NH2 2.99Å; E392-R427 IonicContact OE2-CZ 3.8Å; E392-R427 IonicContact OE2-NH1 3.18Å; E392-R427 PolarHBondContact OE2-NH1 3.24Å; E392-R427 IonicContact OE2-NH2 2.82Å; T410-R427 PolarHBondContact OG1-NH1 3.47Å; S411-R427 CarbonylContact O-C 3.52Å; S411-R427 WeakPolarHBondContact O-CA 3.48Å; R427-I429 HydrophobicContact CG-CD1 4.42Å; R427-V472 WeakPolarHBondContact O-CA 3.26Å; R427-F473 PolarHBondContact N-O 3.48Å; R427-F473 PolarHBondContact O-N 3.39Å; R427-Y475 HydrophobicContact CB-CE2 4.4Å; R427-C564 PolarHBondContact NE-SG 3.46Å
428R94.1Very high91Very high24 Ų2462.3 Ų62.39%0.09133%0.331CS..EExtended strand (participates in β ladder)trans-81131.6173.4179.8-174.5173-163.3-2.2110.3T410 S411 Y413 L426 H430 F466 D468 S470 L471 V472T410-R428 WeakPolarHBondContact CA-O 3.42Å; T410-R428 WeakPolarHBondContact CB-O 3.35Å; S411-R428 PolarHBondContact N-O 2.9Å; S411-R428 VanDerWaalsContact N-O 3.11Å; S411-R428 PolarHBondContact O-N 2.7Å; Y413-R428 HydrophobicContact CE2-CB 4Å; L426-R428 PolarHBondContact O-N 3.13Å; R428-H430 VanDerWaalsContact CZ-CE1 3.49Å; R428-H430 PolarHBondContact NH1-CE1 3.46Å; R428-F466 HydrophobicContact CG-CD2 4.48Å; R428-F466 HydrophobicContact CG-CE2 4.35Å; R428-F466 VanDerWaalsContact NH2-CB 3.27Å; R428-D468 IonicContact CZ-OD1 3.54Å; R428-D468 IonicContact NE-OD1 3.48Å; R428-D468 IonicContact NH2-OD1 3.52Å; R428-D468 PolarHBondContact NH2-OD1 2.77Å; R428-D468 IonicContact NH2-OD2 2.77Å; R428-D468 PolarHBondContact NH2-OD2 2.96Å; R428-S470 PolarHBondContact NE-OG 2.8Å; R428-L471 CarbonylContact C-O 3.14Å; R428-V472 HydrophobicContact CB-CG2 4.48Å
429I93.4Very high90.8Very high0 Ų059.6 Ų59.60%031%0.312CS..EExtended strand (participates in β ladder)trans-104118.3164-44.8-58.7000107.2Y408 T410 R427 F432 S470 L471 F473 V567 L571Y408-I429 HydrophobicContact CD1-CG2 4.18Å; Y408-I429 HydrophobicContact CD2-CG2 4.12Å; Y408-I429 HydrophobicContact CG-CG2 3.69Å; T410-I429 HydrophobicContact CG2-CD1 3.48Å; T410-I429 VanDerWaalsContact CG2-CD1 3.48Å; R427-I429 HydrophobicContact CG-CD1 4.42Å; I429-F432 HydrophobicContact CB-CB 4.38Å; I429-F432 HydrophobicContact CG2-CB 4.11Å; I429-S470 WeakPolarHBondContact O-CA 3.26Å; I429-L471 HydrophobicContact CB-CB 4.33Å; I429-L471 PolarHBondContact N-O 2.98Å; I429-L471 PolarHBondContact O-N 2.84Å; I429-L471 VanDerWaalsContact O-N 3.13Å; I429-F473 HydrophobicContact CD1-CE2 4.38Å; I429-F473 HydrophobicContact CG1-CD2 4.13Å; I429-F473 HydrophobicContact CG1-CE2 3.77Å; I429-V567 HydrophobicContact CD1-CG1 4.45Å; I429-L571 HydrophobicContact CD1-CD1 4.34Å; I429-L571 HydrophobicContact CG1-CD1 4.42Å; I429-L571 HydrophobicContact CG1-CD2 4.38Å; I429-L571 HydrophobicContact CG2-CD1 4.39Å; I429-L571 HydrophobicContact CG2-CD2 4.16Å
430H91.3Very high90.7Very high39 Ų3955.5 Ų55.518%0.18130%0.296CS..THydrogen-bonded Turntrans-81.5144.5-172.2-62.6-133.1000110.9I409 S411 R428 F432I409-H430 HydrophobicContact CB-CB 4.19Å; I409-H430 HydrophobicContact CG2-CB 4.47Å; I409-H430 PolarHBondContact O-CD2 3.29Å; I409-H430 PolarHBondContact O-N 3.47Å; S411-H430 PolarHBondContact OG-NE2 2.94Å; R428-H430 VanDerWaalsContact CZ-CE1 3.49Å; R428-H430 PolarHBondContact NH1-CE1 3.46Å; H430-F432 PolarHBondContact O-N 3.46Å; H430-F432 VanDerWaalsContact O-N 3.17Å
431G88.6Confident90.7Very high53 Ų5356.9 Ų56.955%0.54630%0.301SS..THydrogen-bonded Turntrans66.86.8177.900000115.9D468 H469G431-D468 PolarHBondContact N-OD2 2.9Å; G431-H469 CarbonylContact C-O 3.56Å; G431-H469 WeakPolarHBondContact CA-O 3.47Å; G431-H469 PolarHBondContact N-O 3.14Å
432F89.7Confident90.8Very high23 Ų2351.3 Ų51.310%0.10127%0.271CS..  trans-82.5119.4-175.3-166.2-87000112.7Y408 I429 H430 L434 H469 L471 L571Y408-F432 HydrophobicContact CD1-CD2 4.48Å; Y408-F432 AromaticContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE1-CD2 3.83Å; Y408-F432 HydrophobicContact CE2-CD2 4.13Å; Y408-F432 HydrophobicContact CE2-CE2 4.28Å; Y408-F432 AromaticContact CZ-CD2 3.64Å; Y408-F432 AromaticContact CZ-CE2 3.91Å; I429-F432 HydrophobicContact CB-CB 4.38Å; I429-F432 HydrophobicContact CG2-CB 4.11Å; H430-F432 PolarHBondContact O-N 3.46Å; H430-F432 VanDerWaalsContact O-N 3.17Å; F432-L434 HydrophobicContact CD1-CB 4.43Å; F432-L434 HydrophobicContact CE1-CB 4.04Å; F432-L434 HydrophobicContact CE1-CD1 3.94Å; F432-H469 PolarHBondContact N-O 2.94Å; F432-L471 HydrophobicContact CB-CB 4Å; F432-L471 HydrophobicContact CD1-CB 3.76Å; F432-L471 HydrophobicContact CD1-CD2 3.71Å; F432-L471 HydrophobicContact CD1-CG 4.25Å; F432-L471 HydrophobicContact CE1-CD2 3.83Å; F432-L471 HydrophobicContact CG-CB 4.15Å; F432-L471 HydrophobicContact CG-CD2 4.3Å; F432-L571 HydrophobicContact CD2-CD2 3.53Å; F432-L571 HydrophobicContact CE1-CD2 4.42Å; F432-L571 HydrophobicContact CE2-CD2 3.37Å; F432-L571 HydrophobicContact CG-CD2 4.14Å; F432-L571 HydrophobicContact CZ-CD2 3.85Å
433R88.8Confident90.9Very high169 Ų16947.1 Ų47.164%0.63825%0.249SC*.  trans-101.1107.4170.6-73.9-179.6167.3165-1.9110V435 H469R433-V435 PolarHBondContact O-N 2.78Å; R433-V435 VanDerWaalsContact O-N 3.15Å; R433-H469 HydrophobicContact CG-CB 3.66Å; R433-H469 PolarHBondContact NE-CD2 2.87Å; R433-H469 VanDerWaalsContact NE-CD2 3.35Å; R433-H469 PolarHBondContact NE-CE1 2.53Å; R433-H469 PolarHBondContact NE-NE2 2.87Å; R433-H469 PolarHBondContact NH2-CD2 3.06Å; R433-H469 PolarHBondContact NH2-NE2 3.31Å
434L87.2Confident91Very high50 Ų5048.5 Ų48.526%0.26225%0.254SS..  trans-70.7107.3172.5-172.667.7000109.8F432 N436 T462 V570F432-L434 HydrophobicContact CD1-CB 4.43Å; F432-L434 HydrophobicContact CE1-CB 4.04Å; F432-L434 HydrophobicContact CE1-CD1 3.94Å; L434-N436 WeakPolarHBondContact CD1-O 3.27Å; L434-T462 HydrophobicContact CB-CG2 3.71Å; L434-T462 HydrophobicContact CD2-CG2 4.3Å; L434-V570 HydrophobicContact CD1-CG1 4.16Å
435V84.7Confident90.9Very high145 Ų14550.1 Ų50.188%0.87926%0.263SS*.  trans-81.9-21.4-178.8-176.60000112.3R433R433-V435 PolarHBondContact O-N 2.78Å; R433-V435 VanDerWaalsContact O-N 3.15Å
436N79.5Confident90.9Very high42 Ų4249.8 Ų49.823%0.22526%0.261CS..  trans-149134.3-169.3-168.1-37.5000111.5L434 K438 N575L434-N436 WeakPolarHBondContact CD1-O 3.27Å; N436-K438 WeakPolarHBondContact OD1-CB 3.33Å; N436-K438 VanDerWaalsContact OD1-CG 3.28Å; N436-K438 WeakPolarHBondContact OD1-CG 3.48Å; N436-K438 PolarHBondContact OD1-N 2.97Å; N436-N575 PolarHBondContact ND2-ND2 2.83Å; N436-N575 PolarHBondContact ND2-OD1 3.25Å
437T88.6Confident90.9Very high106 Ų10654 Ų5465%0.6528%0.279SS*.SBendtrans-91.5-3.6-177.752.60000114.5C439 M440T437-C439 PolarHBondContact O-N 3.25Å; T437-C439 VanDerWaalsContact O-N 3.13Å; T437-M440 VanDerWaalsContact O-CB 3.25Å; T437-M440 WeakPolarHBondContact O-CB 3.38Å; T437-M440 VanDerWaalsContact O-CG 3.23Å; T437-M440 WeakPolarHBondContact O-CG 3.37Å; T437-M440 PolarHBondContact O-N 3.34Å
438K88.3Confident90.9Very high97 Ų9761.3 Ų61.342%0.42231%0.311SS..THydrogen-bonded Turntrans-53.1-35176.6-76.7178.4-177177.20112.9N436 M440 M441 F573 N575N436-K438 WeakPolarHBondContact OD1-CB 3.33Å; N436-K438 VanDerWaalsContact OD1-CG 3.28Å; N436-K438 WeakPolarHBondContact OD1-CG 3.48Å; N436-K438 PolarHBondContact OD1-N 2.97Å; K438-M440 PolarHBondContact O-N 3.28Å; K438-M440 VanDerWaalsContact O-N 3.08Å; K438-M441 WeakPolarHBondContact O-CE 3.47Å; K438-M441 WeakPolarHBondContact O-CG 3.35Å; K438-M441 PolarHBondContact O-N 3.49Å; K438-F573 HydrophobicContact CB-CE1 3.7Å; K438-F573 HydrophobicContact CB-CZ 3.59Å; K438-F573 HydrophobicContact CD-CE1 4.46Å; K438-N575 WeakPolarHBondContact CD-OD1 3.25Å; K438-N575 WeakPolarHBondContact CE-OD1 3.32Å; K438-N575 PolarHBondContact NZ-OD1 3.24Å
439C88.7Confident90.9Very high1 Ų160.8 Ų60.81%0.00731%0.31CS..THydrogen-bonded Turntrans-57.9-21.5177.664.10000113.7T437 M441 L442 V443 V570 F573T437-C439 PolarHBondContact O-N 3.25Å; T437-C439 VanDerWaalsContact O-N 3.13Å; C439-M441 PolarHBondContact O-N 3.41Å; C439-M441 VanDerWaalsContact O-N 3.16Å; C439-L442 WeakPolarHBondContact O-CB 3.49Å; C439-L442 PolarHBondContact O-N 2.86Å; C439-V443 PolarHBondContact O-N 2.66Å; C439-V570 HydrophobicContact CB-CG2 4.42Å; C439-F573 HydrophobicContact CB-CB 3.97Å; C439-F573 HydrophobicContact CB-CD1 4Å; C439-F573 HydrophobicContact CB-CD2 3.54Å; C439-F573 HydrophobicContact CB-CE1 4.4Å; C439-F573 HydrophobicContact CB-CE2 3.98Å; C439-F573 HydrophobicContact CB-CG 3.55Å; C439-F573 HydrophobicContact CB-CZ 4.38Å
440M91.8Very high90.9Very high49 Ų4968.6 Ų68.624%0.24135%0.347CS..Hα-helixtrans-62.5-20.9178.7-61.3-57.1-70.200112.7T437 K438 L442 V443 D444 V460T437-M440 VanDerWaalsContact O-CB 3.25Å; T437-M440 WeakPolarHBondContact O-CB 3.38Å; T437-M440 VanDerWaalsContact O-CG 3.23Å; T437-M440 WeakPolarHBondContact O-CG 3.37Å; T437-M440 PolarHBondContact O-N 3.34Å; K438-M440 PolarHBondContact O-N 3.28Å; K438-M440 VanDerWaalsContact O-N 3.08Å; M440-L442 VanDerWaalsContact C-N 3.25Å; M440-L442 PolarHBondContact O-N 3.47Å; M440-V443 HydrophobicContact CE-CB 4.24Å; M440-V443 HydrophobicContact CE-CG1 4.05Å; M440-V443 HydrophobicContact CE-CG2 4.45Å; M440-V443 WeakPolarHBondContact O-CB 3.47Å; M440-V443 PolarHBondContact O-N 3.48Å; M440-V443 VanDerWaalsContact O-N 3.17Å; M440-V443 HydrophobicContact SD-CB 4.33Å; M440-V443 HydrophobicContact SD-CG2 4Å; M440-D444 PolarHBondContact O-N 2.81Å; M440-V460 HydrophobicContact CE-CB 4.33Å
441M92.2Very high91.1Very high103 Ų10368.3 Ų68.351%0.50735%0.345SS..Hα-helixtrans-61-35171.875.5179.963.200112.5K438 C439 M445K438-M441 WeakPolarHBondContact O-CE 3.47Å; K438-M441 WeakPolarHBondContact O-CG 3.35Å; K438-M441 PolarHBondContact O-N 3.49Å; C439-M441 PolarHBondContact O-N 3.41Å; C439-M441 VanDerWaalsContact O-N 3.16Å; M441-M445 WeakPolarHBondContact O-CG 3.32Å; M441-M445 PolarHBondContact O-N 2.98Å; M441-M445 VanDerWaalsContact O-N 3.15Å
442L92.3Very high91.3Very high8 Ų869.6 Ų69.64%0.04235%0.346CS..Hα-helixtrans-75.5-37175.6-59.2176.9000110.5C439 M440 D444 M445 W446 L542 D569 F573 L581C439-L442 WeakPolarHBondContact O-CB 3.49Å; C439-L442 PolarHBondContact O-N 2.86Å; M440-L442 VanDerWaalsContact C-N 3.25Å; M440-L442 PolarHBondContact O-N 3.47Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3.21Å; L442-M445 HydrophobicContact CD2-SD 4.26Å; L442-M445 WeakPolarHBondContact O-CB 3.23Å; L442-M445 PolarHBondContact O-N 2.92Å; L442-M445 VanDerWaalsContact O-N 3.11Å; L442-W446 VanDerWaalsContact O-CD1 3.24Å; L442-W446 PolarHBondContact O-N 3.2Å; L442-L542 HydrophobicContact CD2-CD2 4.07Å; L442-D569 HydrophobicContact CB-CB 4.23Å; L442-D569 HydrophobicContact CD1-CB 3.99Å; L442-F573 HydrophobicContact CD1-CD2 4.18Å; L442-F573 HydrophobicContact CD1-CE2 4.29Å; L442-L581 HydrophobicContact CD2-CD2 4.19Å
443V94.5Very high91.6Very high1 Ų169.2 Ų69.21%0.00635%0.345CS..Hα-helixtrans-60.2-42.4172.5178.20000111.2C439 M440 M445 W446 K447 L457 V460 V570C439-V443 PolarHBondContact O-N 2.66Å; M440-V443 HydrophobicContact CE-CB 4.24Å; M440-V443 HydrophobicContact CE-CG1 4.05Å; M440-V443 HydrophobicContact CE-CG2 4.45Å; M440-V443 WeakPolarHBondContact O-CB 3.47Å; M440-V443 PolarHBondContact O-N 3.48Å; M440-V443 VanDerWaalsContact O-N 3.17Å; M440-V443 HydrophobicContact SD-CB 4.33Å; M440-V443 HydrophobicContact SD-CG2 4Å; V443-M445 VanDerWaalsContact C-N 3.28Å; V443-M445 PolarHBondContact O-N 2.88Å; V443-W446 PolarHBondContact O-N 3.43Å; V443-K447 HydrophobicContact CG1-CD 3.8Å; V443-K447 HydrophobicContact CG1-CG 4.45Å; V443-K447 WeakPolarHBondContact O-CB 3.42Å; V443-K447 WeakPolarHBondContact O-CD 3.42Å; V443-K447 VanDerWaalsContact O-CG 3.3Å; V443-K447 WeakPolarHBondContact O-CG 3.5Å; V443-K447 PolarHBondContact O-N 2.95Å; V443-L457 HydrophobicContact CG1-CD2 4.11Å; V443-V460 HydrophobicContact CG1-CB 4.06Å; V443-V460 HydrophobicContact CG1-CG2 3.63Å; V443-V460 HydrophobicContact CG2-CB 4.33Å; V443-V460 HydrophobicContact CG2-CG2 3.99Å; V443-V570 HydrophobicContact CG2-CG2 3.62Å
444D94.6Very high91.9Very high68 Ų6861.6 Ų61.636%0.36432%0.317SS..Hα-helixtrans-76.5-8.8175.7-75.9-32.1000114.1M440 L442 K447 K448M440-D444 PolarHBondContact O-N 2.81Å; L442-D444 VanDerWaalsContact C-N 3.33Å; L442-D444 PolarHBondContact O-N 3.21Å; D444-K447 WeakPolarHBondContact OD1-CE 3.22Å; D444-K447 IonicContact OD1-NZ 2.7Å; D444-K447 PolarHBondContact OD1-NZ 2.92Å; D444-K448 VanDerWaalsContact O-CD 3.27Å; D444-K448 WeakPolarHBondContact O-CD 3.39Å; D444-K448 WeakPolarHBondContact O-CE 3.38Å; D444-K448 WeakPolarHBondContact O-CG 3.38Å; D444-K448 PolarHBondContact O-NZ 3.44Å
445M94.9Very high92.3Very high54 Ų5459.3 Ų59.327%0.26631%0.305SS..Hα-helixtrans-83.3-46.5161.7-71.4173.266.900110.3M441 L442 V443 K447 K448 A540 L542M441-M445 WeakPolarHBondContact O-CG 3.32Å; M441-M445 PolarHBondContact O-N 2.98Å; M441-M445 VanDerWaalsContact O-N 3.15Å; L442-M445 HydrophobicContact CD2-SD 4.26Å; L442-M445 WeakPolarHBondContact O-CB 3.23Å; L442-M445 PolarHBondContact O-N 2.92Å; L442-M445 VanDerWaalsContact O-N 3.11Å; V443-M445 VanDerWaalsContact C-N 3.28Å; V443-M445 PolarHBondContact O-N 2.88Å; M445-K447 VanDerWaalsContact C-N 3.35Å; M445-K447 PolarHBondContact O-N 3.39Å; M445-K448 WeakPolarHBondContact O-CB 3.17Å; M445-K448 PolarHBondContact O-N 3.12Å; M445-A540 WeakPolarHBondContact CE-O 3.46Å; M445-L542 HydrophobicContact CB-CD1 3.78Å; M445-L542 HydrophobicContact CB-CG 4.46Å; M445-L542 HydrophobicContact CE-CD2 4.12Å; M445-L542 HydrophobicContact CE-CG 4.04Å
446W95.8Very high92.8Very high3 Ų353.1 Ų53.11%0.01127%0.268CS..Hα-helixtrans-58.4-41176.4-84.3111.5000113.3L442 V443 K448 I449 L457 I537 L542 A543 V565 D569L442-W446 VanDerWaalsContact O-CD1 3.24Å; L442-W446 PolarHBondContact O-N 3.2Å; V443-W446 PolarHBondContact O-N 3.43Å; W446-K448 PolarHBondContact O-N 3.39Å; W446-K448 VanDerWaalsContact O-N 3.11Å; W446-I449 HydrophobicContact CD2-CD1 4.43Å; W446-I449 HydrophobicContact CE3-CD1 3.75Å; W446-I449 HydrophobicContact CZ3-CD1 3.82Å; W446-I449 PolarHBondContact O-N 3.17Å; W446-L457 HydrophobicContact CB-CB 4.49Å; W446-L457 HydrophobicContact CB-CD2 3.87Å; W446-I537 HydrophobicContact CH2-CB 4.42Å; W446-I537 HydrophobicContact CH2-CD1 3.98Å; W446-I537 HydrophobicContact CH2-CG1 3.94Å; W446-I537 HydrophobicContact CH2-CG2 3.57Å; W446-I537 HydrophobicContact CZ2-CG2 4.24Å; W446-I537 HydrophobicContact CZ3-CD1 4.13Å; W446-I537 HydrophobicContact CZ3-CG1 3.91Å; W446-I537 HydrophobicContact CZ3-CG2 4.26Å; W446-L542 HydrophobicContact CD2-CD1 3.83Å; W446-L542 HydrophobicContact CE3-CD1 4.41Å; W446-L542 HydrophobicContact CG-CD1 3.93Å; W446-L542 HydrophobicContact CZ2-CB 4.22Å; W446-L542 HydrophobicContact CZ2-CD1 4.36Å; W446-A543 WeakPolarHBondContact CZ2-O 3.27Å; W446-V565 HydrophobicContact CD2-CB 4.36Å; W446-V565 HydrophobicContact CE3-CB 3.86Å; W446-V565 HydrophobicContact CE3-CG2 3.87Å; W446-V565 HydrophobicContact CH2-CB 3.68Å; W446-V565 HydrophobicContact CH2-CG1 3.96Å; W446-V565 HydrophobicContact CZ2-CB 4.18Å; W446-V565 HydrophobicContact CZ3-CB 3.51Å; W446-V565 HydrophobicContact CZ3-CG1 3.94Å; W446-V565 HydrophobicContact CZ3-CG2 3.87Å; W446-D569 PolarHBondContact NE1-OD1 3.25Å; W446-D569 PolarHBondContact NE1-OD2 3.36Å
447K95.1Very high93.6Very high90 Ų9051.2 Ų51.239%0.39126%0.258SS..THydrogen-bonded Turntrans-62.8-12.8175.2-74.8160.962.6-169.20114.5V443 D444 M445 L457 R458V443-K447 HydrophobicContact CG1-CD 3.8Å; V443-K447 HydrophobicContact CG1-CG 4.45Å; V443-K447 WeakPolarHBondContact O-CB 3.42Å; V443-K447 WeakPolarHBondContact O-CD 3.42Å; V443-K447 VanDerWaalsContact O-CG 3.3Å; V443-K447 WeakPolarHBondContact O-CG 3.5Å; V443-K447 PolarHBondContact O-N 2.95Å; D444-K447 WeakPolarHBondContact OD1-CE 3.22Å; D444-K447 IonicContact OD1-NZ 2.7Å; D444-K447 PolarHBondContact OD1-NZ 2.92Å; M445-K447 VanDerWaalsContact C-N 3.35Å; M445-K447 PolarHBondContact O-N 3.39Å; K447-L457 WeakPolarHBondContact CG-O 3.35Å; K447-R458 WeakPolarHBondContact CD-O 3.4Å; K447-R458 VanDerWaalsContact CE-O 3.27Å; K447-R458 WeakPolarHBondContact CE-O 3.22Å; K447-R458 WeakPolarHBondContact CG-O 3.31Å
448K94.9Very high94Very high163 Ų16351.1 Ų51.171%0.70925%0.245SC*.THydrogen-bonded Turntrans-95.1-13.2174.4-62.7166.6-175.3133.90112.8D444 M445 W446 Q450D444-K448 VanDerWaalsContact O-CD 3.27Å; D444-K448 WeakPolarHBondContact O-CD 3.39Å; D444-K448 WeakPolarHBondContact O-CE 3.38Å; D444-K448 WeakPolarHBondContact O-CG 3.38Å; D444-K448 PolarHBondContact O-NZ 3.44Å; M445-K448 WeakPolarHBondContact O-CB 3.17Å; M445-K448 PolarHBondContact O-N 3.12Å; W446-K448 PolarHBondContact O-N 3.39Å; W446-K448 VanDerWaalsContact O-N 3.11Å; K448-Q450 PolarHBondContact O-N 3.03Å
449I94.6Very high94.2Very high12 Ų1249.5 Ų49.56%0.06224%0.239CC..  trans-81.4117.5177.3-66.4176.3000109W446 T536 I537 A540 L542W446-I449 HydrophobicContact CD2-CD1 4.43Å; W446-I449 HydrophobicContact CE3-CD1 3.75Å; W446-I449 HydrophobicContact CZ3-CD1 3.82Å; W446-I449 PolarHBondContact O-N 3.17Å; I449-T536 HydrophobicContact CG2-CG2 4.28Å; I449-I537 HydrophobicContact CD1-CG1 4.43Å; I449-A540 HydrophobicContact CD1-CB 3.77Å; I449-A540 HydrophobicContact CG1-CB 4Å; I449-L542 HydrophobicContact CD1-CD1 3.72Å
450Q93.5Very high94.6Very high165 Ų16550 Ų5077%0.77124%0.242SC*.  trans-122.4120.7170.2-170.2176.49.600108.8K448K448-Q450 PolarHBondContact O-N 3.03Å
451H94.9Very high94.7Very high33 Ų3348.6 Ų48.615%0.15324%0.235CC..  trans-151.8140.8-179.2-176.8-96.1000111.2N453 T454 S532 A533 T536H451-N453 PolarHBondContact CE1-OD1 2.95Å; H451-N453 PolarHBondContact ND1-N 2.82Å; H451-N453 VanDerWaalsContact ND1-N 3.14Å; H451-N453 PolarHBondContact O-N 3.07Å; H451-T454 PolarHBondContact O-N 2.8Å; H451-S532 PolarHBondContact NE2-OG 2.88Å; H451-A533 VanDerWaalsContact CE1-CA 3.48Å; H451-A533 WeakPolarHBondContact CE1-CA 3.19Å; H451-A533 PolarHBondContact CE1-N 2.93Å; H451-A533 VanDerWaalsContact CE1-N 3.32Å; H451-T536 HydrophobicContact CB-CG2 4.37Å; H451-T536 PolarHBondContact CD2-OG1 3.49Å
452S93.1Very high94.9Very high79 Ų7947.5 Ų47.555%0.55223%0.234SC*.THydrogen-bonded Turntrans-58.2-23.1-174.2-580000115.2R559S452-R559 PolarHBondContact O-NE 3.33Å; S452-R559 PolarHBondContact O-NH2 3.11Å
453N95.7Very high95Very high16 Ų1648.1 Ų48.19%0.08624%0.238CC..THydrogen-bonded Turntrans-114.423-179.7-53.2105.9000113.7H451 Q529 A533 L560 R561 V562H451-N453 PolarHBondContact CE1-OD1 2.95Å; H451-N453 PolarHBondContact ND1-N 2.82Å; H451-N453 VanDerWaalsContact ND1-N 3.14Å; H451-N453 PolarHBondContact O-N 3.07Å; N453-Q529 HydrophobicContact CB-CB 4.47Å; N453-Q529 PolarHBondContact ND2-OE1 3.25Å; N453-A533 HydrophobicContact CB-CB 4.2Å; N453-L560 WeakPolarHBondContact CA-O 3.46Å; N453-L560 PolarHBondContact ND2-O 3.26Å; N453-R561 CarbonylContact O-C 3.5Å; N453-R561 VanDerWaalsContact O-CA 3.26Å; N453-R561 WeakPolarHBondContact O-CA 3.49Å; N453-V562 PolarHBondContact O-N 3.27Å
454T95.8Very high94.9Very high8 Ų855 Ų555%0.04927%0.268CS..BIsolated β-bridgetrans-127141.5171.3-53.10000108.7H451 V565H451-T454 PolarHBondContact O-N 2.8Å; T454-V565 HydrophobicContact CG2-CG1 3.98Å; T454-V565 HydrophobicContact CG2-CG2 3.92Å
455V96.1Very high94.8Very high2 Ų253.9 Ų53.91%0.01227%0.268CS..PPolyproline II helixtrans-82.8119.1169.7-171.50000108.1L457 Y475 D476 L553 R561 V562 N563V455-L457 PolarHBondContact O-N 2.89Å; V455-Y475 HydrophobicContact CG1-CD1 4.24Å; V455-Y475 HydrophobicContact CG1-CG 4.42Å; V455-D476 HydrophobicContact CG1-CB 4.19Å; V455-D476 WeakPolarHBondContact CG1-O 3.5Å; V455-L553 HydrophobicContact CG2-CD1 4.19Å; V455-R561 HydrophobicContact CG2-CB 3.84Å; V455-V562 PolarHBondContact N-O 2.7Å; V455-N563 HydrophobicContact CB-CB 4.46Å; V455-N563 HydrophobicContact CG2-CB 3.86Å
456T94.9Very high94.5Very high16 Ų1652.4 Ų52.410%0.09826%0.26CS..PPolyproline II helixtrans-64.2126.7-175-34.10000110.9Y475 D476T456-Y475 WeakPolarHBondContact O-CA 3.47Å; T456-D476 WeakPolarHBondContact CB-OD2 3.44Å; T456-D476 PolarHBondContact O-N 2.84Å; T456-D476 PolarHBondContact OG1-OD2 3.43Å
457L96.3Very high94.2Very high2 Ų256 Ų561%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-77.1125.7166-179.564.6000108.7V443 W446 K447 V455 V460 F473 Y475V443-L457 HydrophobicContact CG1-CD2 4.11Å; W446-L457 HydrophobicContact CB-CB 4.49Å; W446-L457 HydrophobicContact CB-CD2 3.87Å; K447-L457 WeakPolarHBondContact CG-O 3.35Å; V455-L457 PolarHBondContact O-N 2.89Å; L457-V460 HydrophobicContact CD1-CG2 3.86Å; L457-V460 HydrophobicContact CD2-CG2 3.97Å; L457-V460 HydrophobicContact CG-CG2 4.29Å; L457-F473 HydrophobicContact CD1-CB 4.14Å; L457-F473 HydrophobicContact CD1-CD1 4.01Å; L457-Y475 HydrophobicContact CB-CD1 4.25Å; L457-Y475 HydrophobicContact CB-CE1 3.86Å; L457-Y475 HydrophobicContact CD1-CD1 4.14Å; L457-Y475 HydrophobicContact CD1-CE1 3.62Å; L457-Y475 HydrophobicContact CD1-CE2 4.31Å; L457-Y475 HydrophobicContact CG-CE1 4.31Å
458R95.2Very high94Very high103 Ų10353.7 Ų53.739%0.38929%0.29SS..EExtended strand (participates in β ladder)trans-101.7-48.1-178.2-62.9-64.2-179.2-173.6-5.4112.4Y424 K447 S474 D476Y424-R458 HydrophobicContact CD1-CG 4.21Å; Y424-R458 HydrophobicContact CE1-CG 3.86Å; K447-R458 WeakPolarHBondContact CD-O 3.4Å; K447-R458 VanDerWaalsContact CE-O 3.27Å; K447-R458 WeakPolarHBondContact CE-O 3.22Å; K447-R458 WeakPolarHBondContact CG-O 3.31Å; R458-S474 PolarHBondContact N-O 2.06Å; R458-D476 IonicContact CZ-OD1 2.76Å; R458-D476 IonicContact CZ-OD2 3.72Å; R458-D476 IonicContact NE-OD1 2.78Å; R458-D476 PolarHBondContact NE-OD1 3.28Å; R458-D476 IonicContact NE-OD2 3.68Å; R458-D476 VanDerWaalsContact NH2-CG 3.26Å; R458-D476 IonicContact NH2-OD1 3.46Å; R458-D476 PolarHBondContact NH2-OD1 3.19Å; R458-D476 IonicContact NH2-OD2 3.7Å; R458-D476 PolarHBondContact NH2-OD2 2.92Å
459E94.2Very high93.9Very high63 Ų6349.1 Ų49.129%0.29427%0.271SS..EExtended strand (participates in β ladder)trans-150.8150.5-169.8-163.2161.4-130.600110.4Y385 F461 S474Y385-E459 PolarHBondContact OH-OE2 3.09Å; E459-F461 HydrophobicContact CG-CD1 4.24Å; E459-S474 PolarHBondContact O-N 3.31Å
460V95.9Very high93.8Very high11 Ų1148.6 Ų48.67%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-137.5122.3172.3-178.80000107.4M440 V443 L457 L471 V472 F473M440-V460 HydrophobicContact CE-CB 4.33Å; V443-V460 HydrophobicContact CG1-CB 4.06Å; V443-V460 HydrophobicContact CG1-CG2 3.63Å; V443-V460 HydrophobicContact CG2-CB 4.33Å; V443-V460 HydrophobicContact CG2-CG2 3.99Å; L457-V460 HydrophobicContact CD1-CG2 3.86Å; L457-V460 HydrophobicContact CD2-CG2 3.97Å; L457-V460 HydrophobicContact CG-CG2 4.29Å; V460-L471 HydrophobicContact CG1-CD1 3.8Å; V460-L471 HydrophobicContact CG1-CG 4.36Å; V460-V472 WeakPolarHBondContact CA-O 3.43Å; V460-F473 HydrophobicContact CB-CD1 4.45Å; V460-F473 HydrophobicContact CG1-CD1 4.15Å; V460-F473 HydrophobicContact CG1-CE1 4.04Å; V460-F473 HydrophobicContact CG1-CG 4.49Å; V460-F473 HydrophobicContact CG1-CZ 4.29Å; V460-F473 HydrophobicContact CG2-CD1 3.46Å; V460-F473 VanDerWaalsContact CG2-CD1 3.46Å; V460-F473 HydrophobicContact CG2-CE1 3.84Å; V460-F473 HydrophobicContact CG2-CG 4.17Å
461F95.1Very high93.9Very high21 Ų2140.8 Ų40.89%0.09223%0.232CC..EExtended strand (participates in β ladder)trans-144.8157.7-174.366.1-88.3000111.7V382 D383 Y385 L426 E459 T463 V472V382-F461 HydrophobicContact CG1-CE2 3.88Å; V382-F461 HydrophobicContact CG1-CZ 4.08Å; D383-F461 HydrophobicContact CB-CD2 3.89Å; D383-F461 HydrophobicContact CB-CE2 3.55Å; D383-F461 HydrophobicContact CB-CZ 4.01Å; Y385-F461 HydrophobicContact CD2-CE1 4.12Å; Y385-F461 HydrophobicContact CD2-CZ 4.08Å; Y385-F461 AromaticContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CE1 3.79Å; Y385-F461 HydrophobicContact CE2-CZ 4.24Å; L426-F461 HydrophobicContact CD2-CE1 4.48Å; E459-F461 HydrophobicContact CG-CD1 4.24Å; F461-T463 HydrophobicContact CE2-CG2 4.47Å; F461-V472 HydrophobicContact CD1-CB 4.28Å; F461-V472 HydrophobicContact CD1-CG1 4.5Å; F461-V472 HydrophobicContact CD2-CB 4.34Å; F461-V472 HydrophobicContact CE1-CB 3.87Å; F461-V472 HydrophobicContact CE1-CG1 3.7Å; F461-V472 HydrophobicContact CE2-CB 3.93Å; F461-V472 HydrophobicContact CE2-CG1 4.35Å; F461-V472 HydrophobicContact CE2-CG2 4.18Å; F461-V472 HydrophobicContact CZ-CB 3.69Å; F461-V472 HydrophobicContact CZ-CG1 3.62Å; F461-V472 HydrophobicContact CZ-CG2 4.24Å; F461-V472 PolarHBondContact N-O 2.78Å; F461-V472 PolarHBondContact O-N 3.03Å
462T94.7Very high94Very high80 Ų8039.2 Ų39.249%0.49123%0.225SC..EExtended strand (participates in β ladder)trans-104.6136.6174.753.60000110.8L434 S470 L471L434-T462 HydrophobicContact CB-CG2 3.71Å; L434-T462 HydrophobicContact CD2-CG2 4.3Å; T462-S470 CarbonylContact C-O 3.55Å; T462-S470 VanDerWaalsContact CA-O 3.3Å; T462-S470 WeakPolarHBondContact CA-O 3.45Å; T462-L471 HydrophobicContact CG2-CD1 3.78Å
463T94.7Very high94.2Very high20 Ų2035.5 Ų35.512%0.12320%0.199CC..EExtended strand (participates in β ladder)trans-131.7162-178.7-172.50000112.3V382 F461 A465 F466 S470 V472V382-T463 HydrophobicContact CG1-CG2 3.96Å; F461-T463 HydrophobicContact CE2-CG2 4.47Å; T463-A465 WeakPolarHBondContact OG1-CB 3.32Å; T463-A465 PolarHBondContact OG1-N 3.15Å; T463-A465 VanDerWaalsContact OG1-N 3.11Å; T463-F466 HydrophobicContact CG2-CD2 3.89Å; T463-F466 HydrophobicContact CG2-CE2 4.07Å; T463-S470 PolarHBondContact N-O 3.03Å; T463-S470 PolarHBondContact O-N 2.93Å; T463-V472 HydrophobicContact CG2-CG2 3.84Å
464K93.8Very high94.2Very high145 Ų14534.7 Ų34.763%0.6320%0.195SC*.  trans-118.93.3167.9-69.5-175.6177.1-179.30113.7F466 G467 D468K464-F466 PolarHBondContact O-N 3.11Å; K464-G467 PolarHBondContact O-N 2.61Å; K464-D468 WeakPolarHBondContact CA-O 3.41Å
465A91.6Very high94.3Very high45 Ų4534.3 Ų34.337%0.37219%0.192SC..THydrogen-bonded Turntrans-60.6-27.9-175.200000113.4P379 V382 T463 G467P379-A465 HydrophobicContact CB-CB 4.26Å; P379-A465 HydrophobicContact CG-CB 4.21Å; V382-A465 HydrophobicContact CG2-CB 4Å; T463-A465 WeakPolarHBondContact OG1-CB 3.32Å; T463-A465 PolarHBondContact OG1-N 3.15Å; T463-A465 VanDerWaalsContact OG1-N 3.11Å; A465-G467 VanDerWaalsContact C-N 3.29Å; A465-G467 PolarHBondContact O-N 2.88Å
466F89.6Confident94.2Very high23 Ų2335.7 Ų35.710%0.10120%0.2CC..THydrogen-bonded Turntrans-87.519.1176-57.2-86.9000114.2P379 V382 L388 Y413 R428 T463 K464 D468 V472P379-F466 HydrophobicContact CG-CD1 3.58Å; P379-F466 HydrophobicContact CG-CE1 3.72Å; P379-F466 HydrophobicContact CG-CG 4.05Å; P379-F466 HydrophobicContact CG-CZ 4.3Å; V382-F466 HydrophobicContact CG1-CE2 3.87Å; V382-F466 HydrophobicContact CG1-CZ 4.41Å; V382-F466 HydrophobicContact CG2-CE1 4.45Å; V382-F466 HydrophobicContact CG2-CE2 3.92Å; V382-F466 HydrophobicContact CG2-CZ 3.84Å; L388-F466 HydrophobicContact CD2-CE1 3.94Å; L388-F466 HydrophobicContact CD2-CZ 3.78Å; Y413-F466 HydrophobicContact CD2-CZ 4.29Å; Y413-F466 HydrophobicContact CE1-CE1 4.4Å; Y413-F466 AromaticContact CE2-CE1 3.88Å; Y413-F466 HydrophobicContact CE2-CE1 3.88Å; Y413-F466 AromaticContact CE2-CZ 3.93Å; Y413-F466 HydrophobicContact CE2-CZ 3.93Å; Y413-F466 AromaticContact CZ-CE1 3.83Å; R428-F466 HydrophobicContact CG-CD2 4.48Å; R428-F466 HydrophobicContact CG-CE2 4.35Å; R428-F466 VanDerWaalsContact NH2-CB 3.27Å; T463-F466 HydrophobicContact CG2-CD2 3.89Å; T463-F466 HydrophobicContact CG2-CE2 4.07Å; K464-F466 PolarHBondContact O-N 3.11Å; F466-D468 PolarHBondContact O-N 2.88Å; F466-V472 HydrophobicContact CE2-CG2 4.36Å
467G88.9Confident94.2Very high79 Ų7936.4 Ų36.481%0.81420%0.201SC*.SBendtrans76.7-19179.500000116.1K464 A465K464-G467 PolarHBondContact O-N 2.61Å; A465-G467 VanDerWaalsContact C-N 3.29Å; A465-G467 PolarHBondContact O-N 2.88Å
468D90.9Very high94.1Very high42 Ų4238.1 Ų38.123%0.22521%0.209CC..SBendtrans-109.1178.4175.781-30000112.9R428 G431 K464 F466 S470R428-D468 IonicContact CZ-OD1 3.54Å; R428-D468 IonicContact NE-OD1 3.48Å; R428-D468 IonicContact NH2-OD1 3.52Å; R428-D468 PolarHBondContact NH2-OD1 2.77Å; R428-D468 IonicContact NH2-OD2 2.77Å; R428-D468 PolarHBondContact NH2-OD2 2.96Å; G431-D468 PolarHBondContact N-OD2 2.9Å; K464-D468 WeakPolarHBondContact CA-O 3.41Å; F466-D468 PolarHBondContact O-N 2.88Å; D468-S470 PolarHBondContact O-N 2.92Å; D468-S470 PolarHBondContact OD1-OG 3.4Å; D468-S470 PolarHBondContact OD2-OG 3.05Å
469H92.6Very high93.8Very high66 Ų6633.6 Ų33.631%0.30619%0.194SC..  trans-82.6110.2163.4-72.9-111.5000108.4G431 F432 R433G431-H469 CarbonylContact C-O 3.56Å; G431-H469 WeakPolarHBondContact CA-O 3.47Å; G431-H469 PolarHBondContact N-O 3.14Å; F432-H469 PolarHBondContact N-O 2.94Å; R433-H469 HydrophobicContact CG-CB 3.66Å; R433-H469 PolarHBondContact NE-CD2 2.87Å; R433-H469 VanDerWaalsContact NE-CD2 3.35Å; R433-H469 PolarHBondContact NE-CE1 2.53Å; R433-H469 PolarHBondContact NE-NE2 2.87Å; R433-H469 PolarHBondContact NH2-CD2 3.06Å; R433-H469 PolarHBondContact NH2-NE2 3.31Å
470S93.4Very high93.4Very high1 Ų131.9 Ų31.91%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-117.2145.8179.7-85.90000112.1R428 I429 T462 T463 D468R428-S470 PolarHBondContact NE-OG 2.8Å; I429-S470 WeakPolarHBondContact O-CA 3.26Å; T462-S470 CarbonylContact C-O 3.55Å; T462-S470 VanDerWaalsContact CA-O 3.3Å; T462-S470 WeakPolarHBondContact CA-O 3.45Å; T463-S470 PolarHBondContact N-O 3.03Å; T463-S470 PolarHBondContact O-N 2.93Å; D468-S470 PolarHBondContact O-N 2.92Å; D468-S470 PolarHBondContact OD1-OG 3.4Å; D468-S470 PolarHBondContact OD2-OG 3.05Å
471L95Very high93.2Very high1 Ų132.9 Ų32.91%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-105130.4167179.971.8000108.5R428 I429 F432 V460 T462 F473 V570 L571R428-L471 CarbonylContact C-O 3.14Å; I429-L471 HydrophobicContact CB-CB 4.33Å; I429-L471 PolarHBondContact N-O 2.98Å; I429-L471 PolarHBondContact O-N 2.84Å; I429-L471 VanDerWaalsContact O-N 3.13Å; F432-L471 HydrophobicContact CB-CB 4Å; F432-L471 HydrophobicContact CD1-CB 3.76Å; F432-L471 HydrophobicContact CD1-CD2 3.71Å; F432-L471 HydrophobicContact CD1-CG 4.25Å; F432-L471 HydrophobicContact CE1-CD2 3.83Å; F432-L471 HydrophobicContact CG-CB 4.15Å; F432-L471 HydrophobicContact CG-CD2 4.3Å; V460-L471 HydrophobicContact CG1-CD1 3.8Å; V460-L471 HydrophobicContact CG1-CG 4.36Å; T462-L471 HydrophobicContact CG2-CD1 3.78Å; L471-F473 HydrophobicContact CD2-CE2 3.54Å; L471-F473 HydrophobicContact CD2-CZ 3.78Å; L471-F473 HydrophobicContact CG-CD2 4.47Å; L471-F473 HydrophobicContact CG-CE2 3.87Å; L471-F473 HydrophobicContact CG-CZ 4.42Å; L471-V570 HydrophobicContact CD2-CG1 3.8Å; L471-L571 HydrophobicContact CD2-CD2 4.01Å
472V96.4Very high93Very high1 Ų135.9 Ų35.91%0.00622%0.217CC..EExtended strand (participates in β ladder)trans-120.4130.8-177.2-178.80000109.8L426 R427 R428 V460 F461 T463 F466L426-V472 HydrophobicContact CB-CG1 3.78Å; L426-V472 HydrophobicContact CD2-CG1 4.02Å; L426-V472 HydrophobicContact CG-CG1 4.32Å; R427-V472 WeakPolarHBondContact O-CA 3.26Å; R428-V472 HydrophobicContact CB-CG2 4.48Å; V460-V472 WeakPolarHBondContact CA-O 3.43Å; F461-V472 HydrophobicContact CD1-CB 4.28Å; F461-V472 HydrophobicContact CD1-CG1 4.5Å; F461-V472 HydrophobicContact CD2-CB 4.34Å; F461-V472 HydrophobicContact CE1-CB 3.87Å; F461-V472 HydrophobicContact CE1-CG1 3.7Å; F461-V472 HydrophobicContact CE2-CB 3.93Å; F461-V472 HydrophobicContact CE2-CG1 4.35Å; F461-V472 HydrophobicContact CE2-CG2 4.18Å; F461-V472 HydrophobicContact CZ-CB 3.69Å; F461-V472 HydrophobicContact CZ-CG1 3.62Å; F461-V472 HydrophobicContact CZ-CG2 4.24Å; F461-V472 PolarHBondContact N-O 2.78Å; F461-V472 PolarHBondContact O-N 3.03Å; T463-V472 HydrophobicContact CG2-CG2 3.84Å; F466-V472 HydrophobicContact CE2-CG2 4.36Å
473F96.8Very high92.9Very high0 Ų033.9 Ų33.90%021%0.205CC..EExtended strand (participates in β ladder)trans-106.6124.8171.4-64.1-106.2000108.7L426 R427 I429 L457 V460 L471 Y475 V567 V570L426-F473 CarbonylContact C-O 3.4Å; L426-F473 WeakPolarHBondContact CA-O 3.37Å; R427-F473 PolarHBondContact N-O 3.48Å; R427-F473 PolarHBondContact O-N 3.39Å; I429-F473 HydrophobicContact CD1-CE2 4.38Å; I429-F473 HydrophobicContact CG1-CD2 4.13Å; I429-F473 HydrophobicContact CG1-CE2 3.77Å; L457-F473 HydrophobicContact CD1-CB 4.14Å; L457-F473 HydrophobicContact CD1-CD1 4.01Å; V460-F473 HydrophobicContact CB-CD1 4.45Å; V460-F473 HydrophobicContact CG1-CD1 4.15Å; V460-F473 HydrophobicContact CG1-CE1 4.04Å; V460-F473 HydrophobicContact CG1-CG 4.49Å; V460-F473 HydrophobicContact CG1-CZ 4.29Å; V460-F473 HydrophobicContact CG2-CD1 3.46Å; V460-F473 VanDerWaalsContact CG2-CD1 3.46Å; V460-F473 HydrophobicContact CG2-CE1 3.84Å; V460-F473 HydrophobicContact CG2-CG 4.17Å; L471-F473 HydrophobicContact CD2-CE2 3.54Å; L471-F473 HydrophobicContact CD2-CZ 3.78Å; L471-F473 HydrophobicContact CG-CD2 4.47Å; L471-F473 HydrophobicContact CG-CE2 3.87Å; L471-F473 HydrophobicContact CG-CZ 4.42Å; F473-Y475 HydrophobicContact CB-CD2 4.14Å; F473-Y475 HydrophobicContact CB-CE2 3.42Å; F473-Y475 VanDerWaalsContact CB-CE2 3.42Å; F473-Y475 HydrophobicContact CG-CE2 4.36Å; F473-V567 HydrophobicContact CD1-CG2 4.04Å; F473-V567 HydrophobicContact CD2-CG2 4.26Å; F473-V567 HydrophobicContact CE1-CB 4.41Å; F473-V567 HydrophobicContact CE1-CG2 4.05Å; F473-V567 HydrophobicContact CE2-CG1 4.45Å; F473-V567 HydrophobicContact CE2-CG2 4.26Å; F473-V567 HydrophobicContact CG-CG2 4.17Å; F473-V567 HydrophobicContact CZ-CB 4.32Å; F473-V567 HydrophobicContact CZ-CG1 4.37Å; F473-V567 HydrophobicContact CZ-CG2 4.16Å; F473-V570 HydrophobicContact CE1-CB 4.32Å; F473-V570 HydrophobicContact CE1-CG2 4.11Å; F473-V570 HydrophobicContact CZ-CB 4Å; F473-V570 HydrophobicContact CZ-CG1 4.35Å; F473-V570 HydrophobicContact CZ-CG2 4.28Å
474S96.9Very high92.9Very high0 Ų033 Ų330%020%0.199CC..EExtended strand (participates in β ladder)trans-98.3123.4178.2-174.30000111Y385 R458 E459Y385-S474 WeakPolarHBondContact OH-CB 3.18Å; Y385-S474 PolarHBondContact OH-OG 3.23Å; R458-S474 PolarHBondContact N-O 2.06Å; E459-S474 PolarHBondContact O-N 3.31Å
475Y96.8Very high92.7Very high0 Ų029.5 Ų29.50%018%0.184CC..EExtended strand (participates in β ladder)trans-125.6150.3-176.2-69.2-77.8000111.8Y424 C425 R427 V455 T456 L457 F473 F477 C564 V565 V567Y424-Y475 CarbonylContact C-O 3.52Å; Y424-Y475 VanDerWaalsContact CA-O 3.31Å; Y424-Y475 WeakPolarHBondContact CA-O 3.42Å; Y424-Y475 WeakPolarHBondContact CB-O 3.35Å; Y424-Y475 WeakPolarHBondContact CD1-O 3.35Å; C425-Y475 PolarHBondContact N-O 2.96Å; C425-Y475 PolarHBondContact O-N 2.89Å; R427-Y475 HydrophobicContact CB-CE2 4.4Å; V455-Y475 HydrophobicContact CG1-CD1 4.24Å; V455-Y475 HydrophobicContact CG1-CG 4.42Å; T456-Y475 WeakPolarHBondContact O-CA 3.47Å; L457-Y475 HydrophobicContact CB-CD1 4.25Å; L457-Y475 HydrophobicContact CB-CE1 3.86Å; L457-Y475 HydrophobicContact CD1-CD1 4.14Å; L457-Y475 HydrophobicContact CD1-CE1 3.62Å; L457-Y475 HydrophobicContact CD1-CE2 4.31Å; L457-Y475 HydrophobicContact CG-CE1 4.31Å; F473-Y475 HydrophobicContact CB-CD2 4.14Å; F473-Y475 HydrophobicContact CB-CE2 3.42Å; F473-Y475 VanDerWaalsContact CB-CE2 3.42Å; F473-Y475 HydrophobicContact CG-CE2 4.36Å; Y475-F477 PolarHBondContact O-N 3.43Å; Y475-C564 WeakPolarHBondContact OH-CA 3.39Å; Y475-V565 HydrophobicContact CE1-CG2 4.19Å; Y475-V565 PolarHBondContact OH-O 2.79Å; Y475-V567 WeakPolarHBondContact OH-CG2 3.16Å
476D95.4Very high92.6Very high31 Ų3129.9 Ų29.917%0.16618%0.184CC..EExtended strand (participates in β ladder)trans-50.2125.3171.6-74-18000111.8V455 T456 R458V455-D476 HydrophobicContact CG1-CB 4.19Å; V455-D476 WeakPolarHBondContact CG1-O 3.5Å; T456-D476 WeakPolarHBondContact CB-OD2 3.44Å; T456-D476 PolarHBondContact O-N 2.84Å; T456-D476 PolarHBondContact OG1-OD2 3.43Å; R458-D476 IonicContact CZ-OD1 2.76Å; R458-D476 IonicContact CZ-OD2 3.72Å; R458-D476 IonicContact NE-OD1 2.78Å; R458-D476 PolarHBondContact NE-OD1 3.28Å; R458-D476 IonicContact NE-OD2 3.68Å; R458-D476 VanDerWaalsContact NH2-CG 3.26Å; R458-D476 IonicContact NH2-OD1 3.46Å; R458-D476 PolarHBondContact NH2-OD1 3.19Å; R458-D476 IonicContact NH2-OD2 3.7Å; R458-D476 PolarHBondContact NH2-OD2 2.92Å
477F94.9Very high92.6Very high30 Ų3035.2 Ų35.213%0.13220%0.203CC..  trans-75.1138.2177.3-174.1-124.4000112.1I365 L391 K414 P423 Y475 A479I365-F477 HydrophobicContact CG2-CE1 4.23Å; I365-F477 HydrophobicContact CG2-CZ 3.77Å; L391-F477 HydrophobicContact CD1-CD2 4.21Å; L391-F477 HydrophobicContact CD1-CE2 3.61Å; L391-F477 HydrophobicContact CD2-CE2 4.09Å; L391-F477 HydrophobicContact CD2-CZ 4.33Å; K414-F477 HydrophobicContact CB-CE2 4.22Å; K414-F477 HydrophobicContact CB-CZ 4.32Å; K414-F477 HydrophobicContact CD-CD1 4.24Å; K414-F477 HydrophobicContact CD-CE1 3.64Å; K414-F477 HydrophobicContact CD-CE2 4.45Å; K414-F477 HydrophobicContact CD-CZ 3.76Å; K414-F477 HydrophobicContact CG-CD1 4.33Å; K414-F477 HydrophobicContact CG-CD2 4.46Å; K414-F477 HydrophobicContact CG-CE1 4.11Å; K414-F477 HydrophobicContact CG-CE2 4.3Å; K414-F477 HydrophobicContact CG-CG 4.49Å; K414-F477 HydrophobicContact CG-CZ 4.1Å; P423-F477 VanDerWaalsContact C-CB 3.49Å; P423-F477 HydrophobicContact CB-CB 4.04Å; P423-F477 HydrophobicContact CB-CD1 3.87Å; P423-F477 HydrophobicContact CB-CG 4.29Å; P423-F477 HydrophobicContact CG-CB 4.32Å; P423-F477 HydrophobicContact CG-CD1 4.16Å; P423-F477 WeakPolarHBondContact O-CB 3.29Å; P423-F477 PolarHBondContact O-N 2.92Å; Y475-F477 PolarHBondContact O-N 3.43Å; F477-A479 HydrophobicContact CD1-CB 4.39Å; F477-A479 HydrophobicContact CE1-CB 3.69Å; F477-A479 HydrophobicContact CZ-CB 4.13Å
478H93.5Very high92.6Very high39 Ų3932.4 Ų32.418%0.18117%0.169CC..  trans-130.288.4176.3-63.1-23.9000109.4A481 T555 R561H478-A481 HydrophobicContact CB-CB 4.06Å; H478-A481 WeakPolarHBondContact O-CB 3.29Å; H478-A481 PolarHBondContact O-N 3.35Å; H478-T555 HydrophobicContact CB-CG2 4.38Å; H478-R561 WeakPolarHBondContact CD2-CD 3.35Å; H478-R561 PolarHBondContact CD2-NE 3.28Å; H478-R561 VanDerWaalsContact CD2-NE 3.28Å; H478-R561 WeakPolarHBondContact NE2-CD 3.5Å; H478-R561 PolarHBondContact NE2-NE 2.75Å
479A88.8Confident92.3Very high7 Ų731.4 Ų31.46%0.05816%0.163CC..THydrogen-bonded Turntrans-55.4137.2174.100000111.5R362 I365 T366 F477R362-A479 HydrophobicContact CB-CB 3.98Å; R362-A479 HydrophobicContact CG-CB 4.38Å; R362-A479 WeakPolarHBondContact CG-O 3.38Å; R362-A479 PolarHBondContact NE-O 3.22Å; R362-A479 VanDerWaalsContact O-CB 3.23Å; R362-A479 WeakPolarHBondContact O-CB 3.35Å; I365-A479 HydrophobicContact CB-CB 4.14Å; I365-A479 HydrophobicContact CG2-CB 3.75Å; T366-A479 WeakPolarHBondContact OG1-CB 3.35Å; F477-A479 HydrophobicContact CD1-CB 4.39Å; F477-A479 HydrophobicContact CE1-CB 3.69Å; F477-A479 HydrophobicContact CZ-CB 4.13Å
480G85.4Confident91.7Very high27 Ų2733.1 Ų33.128%0.27817%0.174SC..THydrogen-bonded Turntrans71.424.7-176.900000114.6
481A91.6Very high90.6Very high32 Ų3237.2 Ų37.226%0.26420%0.196SC..EExtended strand (participates in β ladder)trans-90.9115175.300000111.9H478 L553 I554 T555H478-A481 HydrophobicContact CB-CB 4.06Å; H478-A481 WeakPolarHBondContact O-CB 3.29Å; H478-A481 PolarHBondContact O-N 3.35Å; A481-L553 HydrophobicContact CB-CB 4.35Å; A481-L553 HydrophobicContact CB-CD1 4.1Å; A481-L553 HydrophobicContact CB-CD2 4.47Å; A481-I554 WeakPolarHBondContact CA-O 3.28Å; A481-T555 HydrophobicContact CB-CG2 3.69Å
482E91.3Very high89.1Confident84 Ų8442.1 Ų42.139%0.39323%0.228SC..EExtended strand (participates in β ladder)trans-89.5154.8172.2-62.8-179.8151.700110.1R487 L553 I554E482-R487 IonicContact OE1-NH1 2.7Å; E482-R487 WeakPolarHBondContact OE2-CD 3.38Å; E482-R487 IonicContact OE2-CZ 2.68Å; E482-R487 IonicContact OE2-NE 3.17Å; E482-R487 IonicContact OE2-NH1 3.49Å; E482-R487 PolarHBondContact OE2-NH1 2.94Å; E482-L553 CarbonylContact O-C 3.49Å; E482-L553 VanDerWaalsContact O-CA 3.3Å; E482-L553 WeakPolarHBondContact O-CA 3.14Å; E482-I554 PolarHBondContact N-O 2.81Å; E482-I554 PolarHBondContact O-N 3.24Å
483T93.1Very high87.4Confident39 Ų3945.3 Ų45.324%0.23926%0.255CS..EExtended strand (participates in β ladder)trans-76.2149.6166.958.60000110.5F485 S486 R487 I552 L553T483-F485 PolarHBondContact O-N 3.44Å; T483-S486 WeakPolarHBondContact O-CB 3.46Å; T483-S486 PolarHBondContact O-N 3.31Å; T483-S486 VanDerWaalsContact OG1-CB 3.29Å; T483-S486 WeakPolarHBondContact OG1-CB 3.46Å; T483-S486 PolarHBondContact OG1-N 3.15Å; T483-R487 WeakPolarHBondContact O-CB 3.49Å; T483-R487 PolarHBondContact O-N 2.94Å; T483-I552 CarbonylContact C-O 3.52Å; T483-I552 WeakPolarHBondContact CA-O 3.03Å; T483-L553 HydrophobicContact CG2-CD2 3.97Å
484M93.4Very high85.7Confident0 Ų045.7 Ų45.70%026%0.258CS..Hα-helixtrans-57.5-33.3172.2176.2-179.7-8400111.4R487 H488 F489 Y526 P549 I552 I554 L560 V598 L602M484-R487 PolarHBondContact O-N 2.97Å; M484-H488 PolarHBondContact O-CD2 2.93Å; M484-H488 PolarHBondContact O-N 2.94Å; M484-F489 HydrophobicContact CG-CE2 4.35Å; M484-F489 WeakPolarHBondContact O-CD2 3.41Å; M484-Y526 HydrophobicContact CE-CD2 3.77Å; M484-Y526 HydrophobicContact CE-CE2 4.05Å; M484-Y526 HydrophobicContact CE-CG 4.22Å; M484-P549 CarbonylContact C-O 3.6Å; M484-P549 HydrophobicContact CB-CB 4.33Å; M484-P549 WeakPolarHBondContact CB-O 3.37Å; M484-P549 HydrophobicContact CG-CB 4.2Å; M484-P549 PolarHBondContact N-O 3.01Å; M484-P549 HydrophobicContact SD-CB 4.43Å; M484-I552 HydrophobicContact CB-CB 4.09Å; M484-I552 HydrophobicContact CB-CG2 4.21Å; M484-I552 HydrophobicContact CE-CD1 4.38Å; M484-I552 HydrophobicContact CE-CG2 3.82Å; M484-I552 PolarHBondContact N-O 3.34Å; M484-I552 HydrophobicContact SD-CB 4.36Å; M484-I552 HydrophobicContact SD-CD1 3.88Å; M484-I552 HydrophobicContact SD-CG2 4.29Å; M484-I554 HydrophobicContact CB-CD1 3.95Å; M484-I554 HydrophobicContact CB-CG1 4.2Å; M484-I554 HydrophobicContact CE-CD1 4.46Å; M484-I554 HydrophobicContact CG-CD1 4.23Å; M484-L560 HydrophobicContact CE-CD1 3.84Å; M484-L560 HydrophobicContact CE-CD2 3.83Å; M484-V598 HydrophobicContact SD-CG1 3.84Å; M484-L602 HydrophobicContact CE-CD1 4.12Å; M484-L602 HydrophobicContact CE-CD2 4.46Å; M484-L602 HydrophobicContact CG-CD2 4.24Å; M484-L602 HydrophobicContact SD-CD1 4.03Å; M484-L602 HydrophobicContact SD-CD2 4.07Å; M484-L602 HydrophobicContact SD-CG 4.34Å
485F90.6Very high83.9Confident72 Ų7248.6 Ų48.632%0.31627%0.273SS..Iπ-helixtrans-57.1-57.1168.1-178.7-103.3000111.9T483 R487 H488 F489 N490 P549 L607T483-F485 PolarHBondContact O-N 3.44Å; F485-R487 PolarHBondContact O-N 3.16Å; F485-H488 PolarHBondContact O-N 3.2Å; F485-F489 HydrophobicContact CD2-CB 3.7Å; F485-F489 HydrophobicContact CD2-CG 4.37Å; F485-F489 HydrophobicContact CE2-CB 3.8Å; F485-F489 WeakPolarHBondContact O-CA 3.49Å; F485-F489 WeakPolarHBondContact O-CB 3.35Å; F485-F489 PolarHBondContact O-N 2.93Å; F485-N490 PolarHBondContact O-N 3Å; F485-P549 HydrophobicContact CB-CB 4.2Å; F485-P549 PolarHBondContact N-O 3.41Å; F485-L607 HydrophobicContact CD2-CD1 3.82Å; F485-L607 HydrophobicContact CE2-CD1 3.6Å; F485-L607 HydrophobicContact CE2-CG 4.41Å
486S89.3Confident82.2Confident54 Ų5450 Ų5038%0.37828%0.283SS..Iπ-helixtrans-58.4-35.2178.7-167.10000113T483 N490T483-S486 WeakPolarHBondContact O-CB 3.46Å; T483-S486 PolarHBondContact O-N 3.31Å; T483-S486 VanDerWaalsContact OG1-CB 3.29Å; T483-S486 WeakPolarHBondContact OG1-CB 3.46Å; T483-S486 PolarHBondContact OG1-N 3.15Å; S486-N490 WeakPolarHBondContact O-CB 3.21Å
487R89.2Confident81Confident134 Ų13450.5 Ų50.551%0.50628%0.283SS..Iπ-helixtrans-74.3-38.2-174-172.771-166.6173.44.3114E482 T483 M484 F485 I554E482-R487 IonicContact OE1-NH1 2.7Å; E482-R487 WeakPolarHBondContact OE2-CD 3.38Å; E482-R487 IonicContact OE2-CZ 2.68Å; E482-R487 IonicContact OE2-NE 3.17Å; E482-R487 IonicContact OE2-NH1 3.49Å; E482-R487 PolarHBondContact OE2-NH1 2.94Å; T483-R487 WeakPolarHBondContact O-CB 3.49Å; T483-R487 PolarHBondContact O-N 2.94Å; M484-R487 PolarHBondContact O-N 2.97Å; F485-R487 PolarHBondContact O-N 3.16Å; R487-I554 HydrophobicContact CB-CD1 4.01Å; R487-I554 HydrophobicContact CG-CD1 4.05Å
488H88.9Confident79.9Confident20 Ų2049.5 Ų49.59%0.09328%0.278CS..Iπ-helixtrans-121.4-30-169.3-57.6-74.1000113.8M484 F485 L518 Y526 N605M484-H488 PolarHBondContact O-CD2 2.93Å; M484-H488 PolarHBondContact O-N 2.94Å; F485-H488 PolarHBondContact O-N 3.2Å; H488-L518 HydrophobicContact CB-CD1 4.41Å; H488-Y526 PolarHBondContact CE1-OH 2.87Å; H488-Y526 AromaticContact NE2-CE2 3.59Å; H488-Y526 AromaticContact NE2-CZ 3.77Å; H488-Y526 PolarHBondContact NE2-OH 3.47Å; H488-Y526 VanDerWaalsContact NE2-OH 3.08Å; H488-N605 PolarHBondContact O-OD1 3.33Å
489F84.9Confident78.7Confident22 Ų2251 Ų5110%0.09629%0.29CS..Iπ-helixtrans-108.80.6-169.3-57.8-90.6000114.1M484 F485 P549 A601 L602 L607M484-F489 HydrophobicContact CG-CE2 4.35Å; M484-F489 WeakPolarHBondContact O-CD2 3.41Å; F485-F489 HydrophobicContact CD2-CB 3.7Å; F485-F489 HydrophobicContact CD2-CG 4.37Å; F485-F489 HydrophobicContact CE2-CB 3.8Å; F485-F489 WeakPolarHBondContact O-CA 3.49Å; F485-F489 WeakPolarHBondContact O-CB 3.35Å; F485-F489 PolarHBondContact O-N 2.93Å; F489-P549 HydrophobicContact CD2-CB 4.45Å; F489-P549 HydrophobicContact CE2-CB 4.18Å; F489-P549 HydrophobicContact CE2-CG 4.44Å; F489-A601 HydrophobicContact CE1-CB 3.86Å; F489-A601 WeakPolarHBondContact CE1-O 3.49Å; F489-A601 HydrophobicContact CZ-CB 3.82Å; F489-L602 HydrophobicContact CE2-CD2 4.06Å; F489-L602 HydrophobicContact CZ-CD2 4.12Å; F489-L602 HydrophobicContact CZ-CG 4.32Å; F489-L607 HydrophobicContact CD1-CD2 3.8Å; F489-L607 HydrophobicContact CD1-CG 3.92Å; F489-L607 HydrophobicContact CE1-CD2 3.8Å; F489-L607 HydrophobicContact CE1-CG 4.35Å; F489-L607 HydrophobicContact CG-CD2 4.19Å; F489-L607 HydrophobicContact CG-CG 4.32Å; F489-L607 HydrophobicContact CZ-CD2 4.2Å
490N79.2Confident77.5Confident101 Ų10157.8 Ų57.854%0.5432%0.319SS..SBendtrans-88.3-4.3-178-163.654.2000113.8F485 S486 P492F485-N490 PolarHBondContact O-N 3Å; S486-N490 WeakPolarHBondContact O-CB 3.21Å; N490-P492 WeakPolarHBondContact O-CD 3.43Å
491D71Confident76.5Confident88 Ų8859.7 Ų59.747%0.47132%0.317SS..  trans-94.1115.6176.61798.6000111.2A493 A494D491-A493 PolarHBondContact O-N 3.38Å; D491-A493 VanDerWaalsContact O-N 3.15Å; D491-A493 VanDerWaalsContact OD1-CB 3.29Å; D491-A493 WeakPolarHBondContact OD1-CB 3.22Å; D491-A493 PolarHBondContact OD1-N 3.31Å; D491-A494 HydrophobicContact CB-CB 4.23Å; D491-A494 WeakPolarHBondContact O-CB 3.47Å; D491-A494 PolarHBondContact O-N 3.29Å
492P63.4Low74.9Confident103 Ų10366.6 Ų66.667%0.66934%0.341SS*.Hα-helixtrans-60.6-19.7174.8-22.834.6000114.4N490 S496N490-P492 WeakPolarHBondContact O-CD 3.43Å; P492-S496 PolarHBondContact O-N 3.47Å; P492-S496 PolarHBondContact O-OG 3.35Å
493A61.9Low73.3Confident69 Ų6965.9 Ų65.957%0.5734%0.335SS*.Hα-helixtrans-77.1-25.3174.700000113D491 S496D491-A493 PolarHBondContact O-N 3.38Å; D491-A493 VanDerWaalsContact O-N 3.15Å; D491-A493 VanDerWaalsContact OD1-CB 3.29Å; D491-A493 WeakPolarHBondContact OD1-CB 3.22Å; D491-A493 PolarHBondContact OD1-N 3.31Å; A493-S496 WeakPolarHBondContact O-CB 3.33Å
494A59.6Low71.3Confident8 Ų867.8 Ų67.87%0.06636%0.363CS..Hα-helixtrans-71.6-55.4174.900000111.4D491 S496 Y497D491-A494 HydrophobicContact CB-CB 4.23Å; D491-A494 WeakPolarHBondContact O-CB 3.47Å; D491-A494 PolarHBondContact O-N 3.29Å; A494-S496 PolarHBondContact O-N 3.31Å; A494-S496 VanDerWaalsContact O-N 3.08Å; A494-Y497 PolarHBondContact O-N 2.94Å
495D59.3Low69Low60 Ų6075.3 Ų75.332%0.32140%0.398SS..Hα-helixtrans-59.6-26.2-179.7-173.862.1000112.8Y497 F498 T499 S606D495-Y497 PolarHBondContact O-N 3.38Å; D495-F498 PolarHBondContact O-N 2.94Å; D495-T499 WeakPolarHBondContact O-CG2 3.16Å; D495-T499 PolarHBondContact O-N 3.48Å; D495-T499 VanDerWaalsContact O-N 3.15Å; D495-T499 PolarHBondContact O-OG1 2.98Å; D495-T499 WeakPolarHBondContact OD2-CG2 3.14Å; D495-S606 VanDerWaalsContact OD1-CB 3.24Å; D495-S606 WeakPolarHBondContact OD1-CB 3.32Å; D495-S606 PolarHBondContact OD1-OG 2.93Å
496S61.6Low67Low29 Ų2980.9 Ų80.920%0.20342%0.424CS..Hα-helixtrans-56.6-29.3174.5-720000114.1P492 A493 A494 K500P492-S496 PolarHBondContact O-N 3.47Å; P492-S496 PolarHBondContact O-OG 3.35Å; A493-S496 WeakPolarHBondContact O-CB 3.33Å; A494-S496 PolarHBondContact O-N 3.31Å; A494-S496 VanDerWaalsContact O-N 3.08Å; S496-K500 VanDerWaalsContact O-CB 3.23Å; S496-K500 WeakPolarHBondContact O-CB 3.34Å; S496-K500 WeakPolarHBondContact O-CG 3.31Å; S496-K500 PolarHBondContact O-N 3.44Å; S496-K500 VanDerWaalsContact O-N 3.11Å; S496-K500 PolarHBondContact OG-NZ 3.49Å
497Y69.3Low64.9Low43 Ų4386.1 Ų86.117%0.16944%0.443CS..Hα-helixtrans-71.3-43.9-178.5-172.2-102.2000112.4A494 D495 R501 A515 L517 L621A494-Y497 PolarHBondContact O-N 2.94Å; D495-Y497 PolarHBondContact O-N 3.38Å; Y497-R501 WeakPolarHBondContact O-CB 3.17Å; Y497-R501 PolarHBondContact OH-NH2 3.41Å; Y497-A515 HydrophobicContact CD2-CB 4.34Å; Y497-A515 WeakPolarHBondContact CD2-O 3.49Å; Y497-A515 HydrophobicContact CE2-CB 3.71Å; Y497-L517 HydrophobicContact CD1-CD2 3.85Å; Y497-L517 HydrophobicContact CD1-CG 4.26Å; Y497-L517 HydrophobicContact CE1-CD1 4.12Å; Y497-L517 HydrophobicContact CE1-CD2 4.1Å; Y497-L517 HydrophobicContact CE1-CG 4.15Å; Y497-L621 HydrophobicContact CD1-CD1 4.27Å; Y497-L621 HydrophobicContact CE1-CD1 4.16Å
498F71.8Confident63Low8 Ų884.6 Ų84.64%0.03545%0.451CS..Hα-helixtrans-73.1-43.3178.4-176.9-111.9000111.9D495 W503 C604 A608 N614 K617 A618 L621D495-F498 PolarHBondContact O-N 2.94Å; F498-W503 HydrophobicContact CE2-CZ2 4.37Å; F498-C604 HydrophobicContact CD2-CB 4.21Å; F498-C604 HydrophobicContact CG-CB 4.44Å; F498-A608 HydrophobicContact CD1-CB 4.1Å; F498-A608 HydrophobicContact CE1-CB 4.11Å; F498-N614 HydrophobicContact CE1-CB 4.12Å; F498-N614 HydrophobicContact CZ-CB 4.08Å; F498-K617 HydrophobicContact CE2-CB 4.32Å; F498-K617 HydrophobicContact CZ-CB 4.35Å; F498-A618 HydrophobicContact CE2-CB 4.11Å; F498-A618 HydrophobicContact CZ-CB 4.03Å; F498-L621 HydrophobicContact CD2-CD1 3.85Å
499T69.2Low61.2Low71 Ų7188.7 Ų88.744%0.43648%0.479SS..Hα-helixtrans-77.8-31.5-172.555.30000114.3D495 A608D495-T499 WeakPolarHBondContact O-CG2 3.16Å; D495-T499 PolarHBondContact O-N 3.48Å; D495-T499 VanDerWaalsContact O-N 3.15Å; D495-T499 PolarHBondContact O-OG1 2.98Å; D495-T499 WeakPolarHBondContact OD2-CG2 3.14Å; T499-A608 HydrophobicContact CG2-CB 4.43Å
500K63.7Low59.4Low149 Ų14991.4 Ų91.465%0.64850%0.499SS*.Hα-helixtrans-99.7-7.4-175.7-56.5172.3-177.2162.20114.2S496 K502S496-K500 VanDerWaalsContact O-CB 3.23Å; S496-K500 WeakPolarHBondContact O-CB 3.34Å; S496-K500 WeakPolarHBondContact O-CG 3.31Å; S496-K500 PolarHBondContact O-N 3.44Å; S496-K500 VanDerWaalsContact O-N 3.11Å; S496-K500 PolarHBondContact OG-NZ 3.49Å; K500-K502 PolarHBondContact O-N 3.21Å
501R64.3Low57.7Low67 Ų6793.3 Ų93.325%0.25352%0.516SS..  trans-60.9118.4174.3175-176.4-93.6-139.5-1.8110.1Y497 W503Y497-R501 WeakPolarHBondContact O-CB 3.17Å; Y497-R501 PolarHBondContact OH-NH2 3.41Å; R501-W503 VanDerWaalsContact CD-CE2 3.45Å; R501-W503 HydrophobicContact CG-CD2 4.31Å; R501-W503 HydrophobicContact CG-CZ2 4.36Å; R501-W503 PolarHBondContact O-N 2.82Å
502K58.1Low56.8Low177 Ų17798.8 Ų98.877%0.7753%0.53SS*.  trans-77.188.1171.3-71.1-177.6-179.81750110.3K500 G504K500-K502 PolarHBondContact O-N 3.21Å; K502-G504 PolarHBondContact O-N 3.29Å
503W58.2Low56.1Low70 Ų70102.9 Ų102.927%0.26554%0.541SS..THydrogen-bonded Turntrans-56.1122.4171.4-61.991.2000110.4F498 R501 K617 E620 L621F498-W503 HydrophobicContact CE2-CZ2 4.37Å; R501-W503 VanDerWaalsContact CD-CE2 3.45Å; R501-W503 HydrophobicContact CG-CD2 4.31Å; R501-W503 HydrophobicContact CG-CZ2 4.36Å; R501-W503 PolarHBondContact O-N 2.82Å; W503-K617 HydrophobicContact CD2-CB 4.33Å; W503-K617 VanDerWaalsContact CH2-O 3.27Å; W503-K617 WeakPolarHBondContact CH2-O 2.98Å; W503-K617 HydrophobicContact CZ2-CB 4.04Å; W503-E620 HydrophobicContact CE3-CG 4.45Å; W503-E620 HydrophobicContact CH2-CB 4.33Å; W503-E620 HydrophobicContact CZ3-CB 3.9Å; W503-E620 VanDerWaalsContact CZ3-CD 3.44Å; W503-E620 HydrophobicContact CZ3-CG 3.8Å; W503-E620 WeakPolarHBondContact CZ3-OE1 3.19Å; W503-L621 HydrophobicContact CH2-CB 3.81Å; W503-L621 HydrophobicContact CZ2-CB 4.29Å; W503-L621 HydrophobicContact CZ2-CD1 4.45Å
504G50.3Low55.8Low79 Ų79106.2 Ų106.281%0.81454%0.544SS*.THydrogen-bonded Turntrans101.514.3177.500000117.3K502K502-G504 PolarHBondContact O-N 3.29Å
505Q46Very low55.8Low158 Ų158107 Ų10774%0.73855%0.551SS**SBendtrans-124.4145.9166.7-86.9-65.9-6.500112.5E507Q505-E507 PolarHBondContact O-N 3.36Å
506H47.8Very low56.4Low188 Ų188106.2 Ų106.287%0.8756%0.557SS**  trans-86.439.9-165.1-154.9-67.9000113.3
507E45.1Very low57.6Low164 Ų164105.7 Ų105.777%0.76655%0.552SS**PPolyproline II helixtrans-78.6127.5179.8-167.8169.2-142.900110.1Q505Q505-E507 PolarHBondContact O-N 3.36Å
508P49.2Very low58.6Low103 Ų103104.7 Ų104.767%0.66955%0.549SS*.PPolyproline II helixtrans-64.8143.8-179.327-34.2000110.7
509P51.6Low59.5Low105 Ų105107.2 Ų107.268%0.68257%0.566SS**PPolyproline II helixtrans-59.7131.5-179.624.9-33.6000110.2
510P46.7Very low60.7Low80 Ų80105.9 Ų105.952%0.51956%0.555SS.*PPolyproline II helixtrans-62.8145-175.324.9-34.4000110.8R512P510-R512 PolarHBondContact O-N 3.37Å
511P44.2Very low62.1Low140 Ų140103.1 Ų103.191%0.90956%0.555SS**SBendtrans-76.263.7-173.332.4-37.3000112.6
512R52.3Low63.5Low203 Ų203101.7 Ų101.777%0.76655%0.552SS**  trans-113.8118.5164.4-70.8-174.1177.4-174.5-1108.1P510 H514 A515P510-R512 PolarHBondContact O-N 3.37Å; R512-H514 PolarHBondContact O-N 3.28Å; R512-A515 PolarHBondContact O-N 3.22Å
513Q48.5Very low65.3Low190 Ų19093.2 Ų93.289%0.88852%0.515SS*.THydrogen-bonded Turntrans-53126.1173.4-68175.4-9.400109.1A515Q513-A515 PolarHBondContact O-N 2.92Å; Q513-A515 VanDerWaalsContact O-N 3.09Å
514H54.3Low67Low139 Ų13990.3 Ų90.364%0.64450%0.504SS*.THydrogen-bonded Turntrans61.8-1-175.2-56.9-73000118.6R512 G516 L517R512-H514 PolarHBondContact O-N 3.28Å; H514-G516 PolarHBondContact O-N 3.34Å; H514-L517 WeakPolarHBondContact O-CB 3.11Å; H514-L517 PolarHBondContact O-N 3.02Å
515A61.2Low69.2Low24 Ų2487.3 Ų87.320%0.19847%0.472CS..THydrogen-bonded Turntrans52.115.216700000118.2Y497 R512 Q513Y497-A515 HydrophobicContact CD2-CB 4.34Å; Y497-A515 WeakPolarHBondContact CD2-O 3.49Å; Y497-A515 HydrophobicContact CE2-CB 3.71Å; R512-A515 PolarHBondContact O-N 3.22Å; Q513-A515 PolarHBondContact O-N 2.92Å; Q513-A515 VanDerWaalsContact O-N 3.09Å
516G71.3Confident71.6Confident44 Ų4480 Ų8045%0.45444%0.437SS..THydrogen-bonded Turntrans91.73.7-173.500000115.2H514 N605H514-G516 PolarHBondContact O-N 3.34Å; G516-N605 PolarHBondContact O-ND2 3.42Å
517L85.8Confident73.9Confident18 Ų1871.1 Ų71.19%0.09440%0.396CS..PPolyproline II helixtrans-87.7152.8175-59.4-179.1000111.8Y497 H514 L621 N625 Y626Y497-L517 HydrophobicContact CD1-CD2 3.85Å; Y497-L517 HydrophobicContact CD1-CG 4.26Å; Y497-L517 HydrophobicContact CE1-CD1 4.12Å; Y497-L517 HydrophobicContact CE1-CD2 4.1Å; Y497-L517 HydrophobicContact CE1-CG 4.15Å; H514-L517 WeakPolarHBondContact O-CB 3.11Å; H514-L517 PolarHBondContact O-N 3.02Å; L517-L621 HydrophobicContact CD1-CD2 3.97Å; L517-L621 HydrophobicContact CD2-CD2 4.06Å; L517-N625 HydrophobicContact CD1-CB 3.77Å; L517-Y626 HydrophobicContact CD1-CE2 4.44Å
518L90.3Very high76.3Confident21 Ų2163.5 Ų63.511%0.1136%0.361CS..PPolyproline II helixtrans-79.4142.2-179.4-62.3-178.9000112H488 E520 I523 L602 Y626H488-L518 HydrophobicContact CB-CD1 4.41Å; L518-E520 PolarHBondContact O-N 2.85Å; L518-I523 HydrophobicContact CB-CD1 4.3Å; L518-I523 HydrophobicContact CB-CG1 4.27Å; L518-L602 HydrophobicContact CD1-CB 4.15Å; L518-L602 HydrophobicContact CD1-CD2 3.59Å; L518-Y626 WeakPolarHBondContact O-CE1 3.24Å; L518-Y626 PolarHBondContact O-OH 3.21Å; L518-Y626 VanDerWaalsContact O-OH 3.09Å
519P92.3Very high78.5Confident61 Ų6159.3 Ų59.340%0.39633%0.332SS..PPolyproline II helixtrans-60.5134.8175.9-24.334.5000112.7S521 L522 I523P519-S521 PolarHBondContact O-N 3.03Å; P519-L522 WeakPolarHBondContact O-CB 3.45Å; P519-L522 PolarHBondContact O-N 2.92Å; P519-I523 PolarHBondContact O-N 2.76Å
520E93.6Very high80.7Confident44 Ų4454.3 Ų54.321%0.20630%0.3CS..Hα-helixtrans-58.5-35.1-176.7-162.4-176.712300113L518 L522 I523 W524 Y626 S627 L630L518-E520 PolarHBondContact O-N 2.85Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.08Å; E520-I523 PolarHBondContact O-N 3.44Å; E520-I523 VanDerWaalsContact O-N 3.17Å; E520-W524 PolarHBondContact O-N 2.69Å; E520-W524 PolarHBondContact OE1-NE1 2.82Å; E520-Y626 HydrophobicContact CB-CD1 3.86Å; E520-Y626 HydrophobicContact CB-CE1 4.27Å; E520-Y626 HydrophobicContact CG-CD1 3.84Å; E520-S627 VanDerWaalsContact CD-OG 3.25Å; E520-S627 VanDerWaalsContact OE1-CB 3.32Å; E520-S627 WeakPolarHBondContact OE1-CB 3.3Å; E520-S627 PolarHBondContact OE1-OG 2.86Å; E520-S627 WeakPolarHBondContact OE2-CB 3.47Å; E520-S627 PolarHBondContact OE2-N 2.92Å; E520-S627 PolarHBondContact OE2-OG 2.78Å; E520-L630 HydrophobicContact CG-CD2 4.21Å
521S93Very high83Confident91 Ų9150.7 Ų50.764%0.63628%0.276SS*.Hα-helixtrans-59.7-35.5175.150.60000113.1P519 A525P519-S521 PolarHBondContact O-N 3.03Å; S521-A525 WeakPolarHBondContact O-CB 3.47Å; S521-A525 PolarHBondContact O-N 3Å
522L93.4Very high85.5Confident36 Ų3645.6 Ų45.619%0.18824%0.244CC..Hα-helixtrans-70.7-40.5175.3-175.663.6000111.1P519 E520 A525 Y526 T558P519-L522 WeakPolarHBondContact O-CB 3.45Å; P519-L522 PolarHBondContact O-N 2.92Å; E520-L522 VanDerWaalsContact C-N 3.28Å; E520-L522 PolarHBondContact O-N 3.08Å; L522-A525 PolarHBondContact O-N 3.28Å; L522-Y526 HydrophobicContact CD1-CD1 4.36Å; L522-Y526 HydrophobicContact CD1-CE1 3.67Å; L522-Y526 HydrophobicContact CD1-CE2 4.29Å; L522-Y526 HydrophobicContact CD2-CE2 4.31Å; L522-Y526 HydrophobicContact CG-CD2 4.47Å; L522-Y526 HydrophobicContact CG-CE1 4.2Å; L522-Y526 HydrophobicContact CG-CE2 3.93Å; L522-Y526 VanDerWaalsContact O-CG 3.3Å; L522-Y526 PolarHBondContact O-N 2.83Å; L522-T558 HydrophobicContact CD1-CG2 3.78Å
523I95.5Very high87.6Confident0 Ų036 Ų360%021%0.208CC..Hα-helixtrans-63.5-43.4176.1-54.9177.8000110.1L518 P519 E520 Y526 I527 V599 A603 Y626 L630L518-I523 HydrophobicContact CB-CD1 4.3Å; L518-I523 HydrophobicContact CB-CG1 4.27Å; P519-I523 PolarHBondContact O-N 2.76Å; E520-I523 PolarHBondContact O-N 3.44Å; E520-I523 VanDerWaalsContact O-N 3.17Å; I523-Y526 WeakPolarHBondContact O-CB 3.41Å; I523-Y526 PolarHBondContact O-N 3.42Å; I523-I527 HydrophobicContact CG2-CD1 3.88Å; I523-I527 HydrophobicContact CG2-CG1 4.48Å; I523-I527 WeakPolarHBondContact O-CD1 3.3Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.36Å; I523-I527 PolarHBondContact O-N 3.38Å; I523-V599 HydrophobicContact CG2-CG1 4.06Å; I523-A603 HydrophobicContact CD1-CB 4.2Å; I523-Y626 HydrophobicContact CD1-CD1 4.41Å; I523-Y626 HydrophobicContact CD1-CE1 3.6Å; I523-L630 HydrophobicContact CD1-CD2 4.25Å; I523-L630 HydrophobicContact CG2-CD1 3.99Å; I523-L630 HydrophobicContact CG2-CD2 4.3Å
524W95.6Very high89.9Confident8 Ų827 Ų273%0.0317%0.166CC..Hα-helixtrans-62.5-43.5173.6-74.1120.7000113.1E520 Y526 I527 V528 D629 L630 L633 I654 R657E520-W524 PolarHBondContact O-N 2.69Å; E520-W524 PolarHBondContact OE1-NE1 2.82Å; W524-Y526 PolarHBondContact O-N 2.84Å; W524-I527 HydrophobicContact CD2-CD1 4.27Å; W524-I527 HydrophobicContact CE3-CB 4.28Å; W524-I527 HydrophobicContact CE3-CD1 3.58Å; W524-I527 HydrophobicContact CE3-CG2 4.25Å; W524-I527 HydrophobicContact CZ3-CD1 3.74Å; W524-I527 HydrophobicContact CZ3-CG2 4.31Å; W524-I527 PolarHBondContact O-N 3.1Å; W524-V528 WeakPolarHBondContact O-CG2 3.33Å; W524-V528 PolarHBondContact O-N 3.08Å; W524-D629 HydrophobicContact CH2-CB 4.18Å; W524-D629 HydrophobicContact CZ2-CB 3.8Å; W524-L630 HydrophobicContact CH2-CB 4.37Å; W524-L630 HydrophobicContact CH2-CD1 4.24Å; W524-L630 HydrophobicContact CZ2-CB 3.83Å; W524-L630 HydrophobicContact CZ2-CD1 4.2Å; W524-L633 HydrophobicContact CH2-CB 4.48Å; W524-L633 HydrophobicContact CH2-CD2 4.09Å; W524-L633 HydrophobicContact CZ3-CD2 3.65Å; W524-I654 HydrophobicContact CE3-CG2 4.39Å; W524-I654 HydrophobicContact CZ3-CG2 3.84Å; W524-R657 HydrophobicContact CD2-CG 4.16Å; W524-R657 HydrophobicContact CE3-CG 4.22Å; W524-R657 HydrophobicContact CG-CG 4.31Å
525A94.9Very high91.9Very high17 Ų1726.1 Ų26.114%0.1416%0.157CC..Hα-helixtrans-58.7-35.4174.800000112.3S521 L522 Q529 Q661S521-A525 WeakPolarHBondContact O-CB 3.47Å; S521-A525 PolarHBondContact O-N 3Å; L522-A525 PolarHBondContact O-N 3.28Å; A525-Q529 WeakPolarHBondContact O-CG 3.49Å; A525-Q529 PolarHBondContact O-N 3.24Å; A525-Q529 PolarHBondContact O-NE2 2.92Å; A525-Q661 VanDerWaalsContact CB-OE1 3.29Å
526Y96.4Very high93.6Very high4 Ų427.3 Ų27.32%0.01616%0.162CC..Hα-helixtrans-72.1-44.5173.7-68.1-10.2000112.4M484 H488 L522 I523 W524 V528 Q529 L530 L560 L602M484-Y526 HydrophobicContact CE-CD2 3.77Å; M484-Y526 HydrophobicContact CE-CE2 4.05Å; M484-Y526 HydrophobicContact CE-CG 4.22Å; H488-Y526 PolarHBondContact CE1-OH 2.87Å; H488-Y526 AromaticContact NE2-CE2 3.59Å; H488-Y526 AromaticContact NE2-CZ 3.77Å; H488-Y526 PolarHBondContact NE2-OH 3.47Å; H488-Y526 VanDerWaalsContact NE2-OH 3.08Å; L522-Y526 HydrophobicContact CD1-CD1 4.36Å; L522-Y526 HydrophobicContact CD1-CE1 3.67Å; L522-Y526 HydrophobicContact CD1-CE2 4.29Å; L522-Y526 HydrophobicContact CD2-CE2 4.31Å; L522-Y526 HydrophobicContact CG-CD2 4.47Å; L522-Y526 HydrophobicContact CG-CE1 4.2Å; L522-Y526 HydrophobicContact CG-CE2 3.93Å; L522-Y526 VanDerWaalsContact O-CG 3.3Å; L522-Y526 PolarHBondContact O-N 2.83Å; I523-Y526 WeakPolarHBondContact O-CB 3.41Å; I523-Y526 PolarHBondContact O-N 3.42Å; W524-Y526 PolarHBondContact O-N 2.84Å; Y526-V528 PolarHBondContact O-N 3.22Å; Y526-Q529 PolarHBondContact O-N 3.43Å; Y526-L530 WeakPolarHBondContact O-CB 3.32Å; Y526-L530 WeakPolarHBondContact O-CG 3.49Å; Y526-L530 PolarHBondContact O-N 3.03Å; Y526-L560 HydrophobicContact CD1-CD1 3.63Å; Y526-L560 HydrophobicContact CD1-CD2 3.75Å; Y526-L560 HydrophobicContact CD1-CG 3.64Å; Y526-L560 HydrophobicContact CE1-CD1 4.43Å; Y526-L560 HydrophobicContact CE1-CD2 3.69Å; Y526-L560 HydrophobicContact CE1-CG 4.06Å; Y526-L560 HydrophobicContact CG-CD1 3.7Å; Y526-L560 HydrophobicContact CG-CD2 4.3Å; Y526-L560 HydrophobicContact CG-CG 4.23Å; Y526-L602 HydrophobicContact CD2-CD1 3.96Å; Y526-L602 HydrophobicContact CD2-CD2 4.35Å; Y526-L602 HydrophobicContact CE2-CD2 4.35Å
527I96.8Very high94.8Very high1 Ų125.2 Ų25.21%0.00514%0.14CC..Hα-helixtrans-57.8-46.2176.8-70.9159.8000111.3I523 W524 Q529 L530 S531 V599 L630 L633 I654I523-I527 HydrophobicContact CG2-CD1 3.88Å; I523-I527 HydrophobicContact CG2-CG1 4.48Å; I523-I527 WeakPolarHBondContact O-CD1 3.3Å; I523-I527 VanDerWaalsContact O-CG1 3.28Å; I523-I527 WeakPolarHBondContact O-CG1 3.36Å; I523-I527 PolarHBondContact O-N 3.38Å; W524-I527 HydrophobicContact CD2-CD1 4.27Å; W524-I527 HydrophobicContact CE3-CB 4.28Å; W524-I527 HydrophobicContact CE3-CD1 3.58Å; W524-I527 HydrophobicContact CE3-CG2 4.25Å; W524-I527 HydrophobicContact CZ3-CD1 3.74Å; W524-I527 HydrophobicContact CZ3-CG2 4.31Å; W524-I527 PolarHBondContact O-N 3.1Å; I527-Q529 PolarHBondContact O-N 2.99Å; I527-L530 PolarHBondContact O-N 3.46Å; I527-S531 VanDerWaalsContact O-CB 3.27Å; I527-S531 WeakPolarHBondContact O-CB 3.45Å; I527-S531 PolarHBondContact O-N 3.41Å; I527-S531 PolarHBondContact O-OG 3.35Å; I527-V599 HydrophobicContact CD1-CG1 3.88Å; I527-V599 HydrophobicContact CD1-CG2 4.13Å; I527-V599 HydrophobicContact CG1-CG1 4.3Å; I527-V599 HydrophobicContact CG1-CG2 3.62Å; I527-L630 HydrophobicContact CD1-CD1 3.67Å; I527-L633 HydrophobicContact CD1-CD2 3.94Å; I527-L633 HydrophobicContact CG1-CD2 4.46Å; I527-L633 HydrophobicContact CG2-CD2 3.82Å; I527-I654 HydrophobicContact CG2-CG2 3.86Å
528V96Very high95.3Very high5 Ų525.6 Ų25.63%0.0314%0.141CC..Hα-helixtrans-62.1-44.3-179.7171.40000111W524 Y526 S531 S532 R657 F658 Q661W524-V528 WeakPolarHBondContact O-CG2 3.33Å; W524-V528 PolarHBondContact O-N 3.08Å; Y526-V528 PolarHBondContact O-N 3.22Å; V528-S531 PolarHBondContact O-OG 3.23Å; V528-S531 VanDerWaalsContact O-OG 3.13Å; V528-S532 WeakPolarHBondContact O-CB 3.48Å; V528-S532 PolarHBondContact O-N 2.81Å; V528-S532 VanDerWaalsContact O-N 3.07Å; V528-R657 HydrophobicContact CG2-CB 3.96Å; V528-F658 HydrophobicContact CG1-CD1 3.57Å; V528-F658 HydrophobicContact CG1-CD2 4.24Å; V528-F658 HydrophobicContact CG1-CE1 3.6Å; V528-F658 HydrophobicContact CG1-CE2 4.27Å; V528-F658 HydrophobicContact CG1-CG 3.91Å; V528-F658 HydrophobicContact CG1-CZ 3.95Å; V528-F658 HydrophobicContact CG2-CD2 4.47Å; V528-Q661 HydrophobicContact CB-CB 4.45Å; V528-Q661 HydrophobicContact CB-CG 4.37Å; V528-Q661 HydrophobicContact CG1-CB 3.87Å; V528-Q661 HydrophobicContact CG1-CG 3.79Å
529Q96Very high95.5Very high14 Ų1430 Ų307%0.06517%0.17CC..Hα-helixtrans-66.2-43.9177.9-73.6176.886.600113.2N453 A525 Y526 I527 A533 T558 L560N453-Q529 HydrophobicContact CB-CB 4.47Å; N453-Q529 PolarHBondContact ND2-OE1 3.25Å; A525-Q529 WeakPolarHBondContact O-CG 3.49Å; A525-Q529 PolarHBondContact O-N 3.24Å; A525-Q529 PolarHBondContact O-NE2 2.92Å; Y526-Q529 PolarHBondContact O-N 3.43Å; I527-Q529 PolarHBondContact O-N 2.99Å; Q529-A533 PolarHBondContact O-N 2.9Å; Q529-T558 PolarHBondContact NE2-O 2.97Å; Q529-L560 HydrophobicContact CB-CB 4.33Å; Q529-L560 HydrophobicContact CB-CD1 4.47Å
530L96.8Very high95.6Very high1 Ų129.1 Ų29.11%0.00517%0.167CC..Hα-helixtrans-72.1-39.4-179.2-66.5173.3000112.6Y526 I527 A533 L534 M547 I552 L560 V562 L595 V598Y526-L530 WeakPolarHBondContact O-CB 3.32Å; Y526-L530 WeakPolarHBondContact O-CG 3.49Å; Y526-L530 PolarHBondContact O-N 3.03Å; I527-L530 PolarHBondContact O-N 3.46Å; L530-A533 PolarHBondContact O-N 3.47Å; L530-L534 PolarHBondContact O-N 3.19Å; L530-M547 HydrophobicContact CB-CE 4.33Å; L530-M547 HydrophobicContact CD1-SD 4.19Å; L530-M547 HydrophobicContact CD2-CE 4.18Å; L530-M547 HydrophobicContact CD2-SD 4.05Å; L530-I552 HydrophobicContact CD1-CD1 4.05Å; L530-I552 HydrophobicContact CD2-CD1 4.17Å; L530-I552 HydrophobicContact CD2-CG1 4.2Å; L530-I552 HydrophobicContact CD2-CG2 4.24Å; L530-L560 HydrophobicContact CD1-CD1 4.02Å; L530-L560 HydrophobicContact CD2-CD1 4Å; L530-L560 HydrophobicContact CG-CD1 3.74Å; L530-V562 HydrophobicContact CD2-CG2 3.79Å; L530-L595 HydrophobicContact CB-CD1 3.81Å; L530-L595 HydrophobicContact CD1-CD1 3.83Å; L530-L595 HydrophobicContact CG-CD1 4.48Å; L530-V598 HydrophobicContact CD1-CG1 4.41Å
531S96.1Very high95.6Very high3 Ų328.5 Ų28.52%0.02117%0.173CC..Hα-helixtrans-67.3-36.7175.557.60000112.2I527 V528 A533 L534 R535 V647 I654I527-S531 VanDerWaalsContact O-CB 3.27Å; I527-S531 WeakPolarHBondContact O-CB 3.45Å; I527-S531 PolarHBondContact O-N 3.41Å; I527-S531 PolarHBondContact O-OG 3.35Å; V528-S531 PolarHBondContact O-OG 3.23Å; V528-S531 VanDerWaalsContact O-OG 3.13Å; S531-A533 PolarHBondContact O-N 3.22Å; S531-L534 PolarHBondContact O-N 2.9Å; S531-R535 VanDerWaalsContact O-CB 3.32Å; S531-R535 WeakPolarHBondContact O-CB 3.46Å; S531-R535 PolarHBondContact O-N 3.31Å; S531-V647 WeakPolarHBondContact O-CG1 3.39Å; S531-I654 WeakPolarHBondContact OG-CD1 3.27Å
532S95.6Very high95.7Very high34 Ų3424.2 Ų24.224%0.23814%0.143CC..Hα-helixtrans-58.9-45.7170.7-167.80000111.7H451 V528 R535 T536H451-S532 PolarHBondContact NE2-OG 2.88Å; V528-S532 WeakPolarHBondContact O-CB 3.48Å; V528-S532 PolarHBondContact O-N 2.81Å; V528-S532 VanDerWaalsContact O-N 3.07Å; S532-R535 PolarHBondContact O-N 3.23Å; S532-T536 PolarHBondContact O-N 3Å; S532-T536 PolarHBondContact O-OG1 3Å
533A96.6Very high95.8Very high1 Ų122.5 Ų22.51%0.00813%0.134CC..Hα-helixtrans-62.9-47.9176.900000112.6H451 N453 Q529 L530 S531 R535 T536 I537H451-A533 VanDerWaalsContact CE1-CA 3.48Å; H451-A533 WeakPolarHBondContact CE1-CA 3.19Å; H451-A533 PolarHBondContact CE1-N 2.93Å; H451-A533 VanDerWaalsContact CE1-N 3.32Å; N453-A533 HydrophobicContact CB-CB 4.2Å; Q529-A533 PolarHBondContact O-N 2.9Å; L530-A533 PolarHBondContact O-N 3.47Å; S531-A533 PolarHBondContact O-N 3.22Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 2.86Å; A533-T536 PolarHBondContact O-N 3.25Å; A533-I537 WeakPolarHBondContact O-CD1 3.47Å; A533-I537 VanDerWaalsContact O-CG1 3.29Å; A533-I537 WeakPolarHBondContact O-CG1 3.34Å; A533-I537 PolarHBondContact O-N 2.9Å
534L96.7Very high95.8Very high0 Ų022.5 Ų22.50%013%0.134CC..Hα-helixtrans-60-41.3177.2-72.8-175.3000111.8L530 S531 T536 I537 H538 C544 M547 D591 L595 V647L530-L534 PolarHBondContact O-N 3.19Å; S531-L534 PolarHBondContact O-N 2.9Å; L534-T536 PolarHBondContact O-N 3.33Å; L534-I537 PolarHBondContact O-N 2.93Å; L534-H538 WeakPolarHBondContact O-CB 3.3Å; L534-H538 PolarHBondContact O-CD2 2.97Å; L534-H538 VanDerWaalsContact O-CG 3.26Å; L534-H538 PolarHBondContact O-N 2.99Å; L534-C544 HydrophobicContact CD2-CB 3.52Å; L534-M547 HydrophobicContact CD1-CE 4.02Å; L534-M547 HydrophobicContact CD2-CE 3.67Å; L534-M547 HydrophobicContact CG-CE 3.74Å; L534-D591 HydrophobicContact CD1-CB 4.35Å; L534-D591 HydrophobicContact CD2-CB 3.97Å; L534-L595 HydrophobicContact CD1-CB 4.33Å; L534-L595 HydrophobicContact CD1-CD2 4.06Å; L534-V647 HydrophobicContact CB-CG1 4.25Å; L534-V647 HydrophobicContact CB-CG2 3.75Å
535R95.9Very high95.7Very high122 Ų12224.7 Ų24.746%0.4614%0.142SC..Hα-helixtrans-57.5-48.8177.9-175.7173.2177.5-102.9-0.8111.1S531 S532 A533 H538 T539 V647 N648S531-R535 VanDerWaalsContact O-CB 3.32Å; S531-R535 WeakPolarHBondContact O-CB 3.46Å; S531-R535 PolarHBondContact O-N 3.31Å; S532-R535 PolarHBondContact O-N 3.23Å; A533-R535 VanDerWaalsContact C-N 3.32Å; A533-R535 PolarHBondContact O-N 2.86Å; R535-H538 PolarHBondContact O-N 3.4Å; R535-T539 WeakPolarHBondContact O-CB 3.46Å; R535-T539 PolarHBondContact O-N 3.46Å; R535-T539 PolarHBondContact O-OG1 2.91Å; R535-T539 VanDerWaalsContact O-OG1 3.04Å; R535-V647 HydrophobicContact CB-CB 4.42Å; R535-V647 HydrophobicContact CB-CG1 3.88Å; R535-N648 PolarHBondContact NE-OD1 3.04Å
536T96.9Very high95.6Very high48 Ų4824.1 Ų24.129%0.29414%0.137SC..Hα-helixtrans-62.4-43.5176.9-600000112.5I449 H451 S532 A533 L534 A540I449-T536 HydrophobicContact CG2-CG2 4.28Å; H451-T536 HydrophobicContact CB-CG2 4.37Å; H451-T536 PolarHBondContact CD2-OG1 3.49Å; S532-T536 PolarHBondContact O-N 3Å; S532-T536 PolarHBondContact O-OG1 3Å; A533-T536 PolarHBondContact O-N 3.25Å; L534-T536 PolarHBondContact O-N 3.33Å; T536-A540 WeakPolarHBondContact O-CB 3.44Å; T536-A540 PolarHBondContact O-N 3.5Å; T536-A540 VanDerWaalsContact O-N 3.12Å
537I96.8Very high95.5Very high0 Ų024.4 Ų24.40%014%0.139CC..Hα-helixtrans-64.1-44.6179.3-66.2163.2000111.1W446 I449 A533 L534 A540 L542 C544W446-I537 HydrophobicContact CH2-CB 4.42Å; W446-I537 HydrophobicContact CH2-CD1 3.98Å; W446-I537 HydrophobicContact CH2-CG1 3.94Å; W446-I537 HydrophobicContact CH2-CG2 3.57Å; W446-I537 HydrophobicContact CZ2-CG2 4.24Å; W446-I537 HydrophobicContact CZ3-CD1 4.13Å; W446-I537 HydrophobicContact CZ3-CG1 3.91Å; W446-I537 HydrophobicContact CZ3-CG2 4.26Å; I449-I537 HydrophobicContact CD1-CG1 4.43Å; A533-I537 WeakPolarHBondContact O-CD1 3.47Å; A533-I537 VanDerWaalsContact O-CG1 3.29Å; A533-I537 WeakPolarHBondContact O-CG1 3.34Å; A533-I537 PolarHBondContact O-N 2.9Å; L534-I537 PolarHBondContact O-N 2.93Å; I537-A540 PolarHBondContact O-N 3.37Å; I537-L542 HydrophobicContact CG2-CB 4.01Å; I537-L542 PolarHBondContact O-N 3.23Å; I537-L542 VanDerWaalsContact O-N 3.16Å; I537-C544 HydrophobicContact CD1-CB 4.14Å
538H95.9Very high95.2Very high26 Ų2626.8 Ų26.812%0.1215%0.152CC..Hα-helixtrans-70.5-39.1-178.1-68.8-166.5000111.9L534 R535 A540 G541 Q588 D591 V647L534-H538 WeakPolarHBondContact O-CB 3.3Å; L534-H538 PolarHBondContact O-CD2 2.97Å; L534-H538 VanDerWaalsContact O-CG 3.26Å; L534-H538 PolarHBondContact O-N 2.99Å; R535-H538 PolarHBondContact O-N 3.4Å; H538-A540 PolarHBondContact O-N 2.88Å; H538-G541 PolarHBondContact O-N 3.02Å; H538-G541 VanDerWaalsContact O-N 3.07Å; H538-Q588 PolarHBondContact CE1-O 3.23Å; H538-Q588 PolarHBondContact O-NE2 3.21Å; H538-D591 IonicContact CD2-OD2 3.53Å; H538-D591 IonicContact CE1-OD2 2.7Å; H538-D591 IonicContact NE2-OD2 2.69Å; H538-D591 PolarHBondContact NE2-OD2 3.26Å; H538-V647 VanDerWaalsContact ND1-CG2 3.28Å; H538-V647 WeakPolarHBondContact ND1-CG2 3.46Å
539T95.2Very high95.1Very high114 Ų11426.7 Ų26.770%0.69915%0.151SC*.Hα-helixtrans-63.5-29.2172.5-64.20000112.5R535 G541R535-T539 WeakPolarHBondContact O-CB 3.46Å; R535-T539 PolarHBondContact O-N 3.46Å; R535-T539 PolarHBondContact O-OG1 2.91Å; R535-T539 VanDerWaalsContact O-OG1 3.04Å; T539-G541 PolarHBondContact O-N 2.9Å
540A94.6Very high94.8Very high42 Ų4227.6 Ų27.635%0.34716%0.159SC..THydrogen-bonded Turntrans-77.53.4173.500000114.3M445 I449 T536 I537 H538M445-A540 WeakPolarHBondContact CE-O 3.46Å; I449-A540 HydrophobicContact CD1-CB 3.77Å; I449-A540 HydrophobicContact CG1-CB 4Å; T536-A540 WeakPolarHBondContact O-CB 3.44Å; T536-A540 PolarHBondContact O-N 3.5Å; T536-A540 VanDerWaalsContact O-N 3.12Å; I537-A540 PolarHBondContact O-N 3.37Å; H538-A540 PolarHBondContact O-N 2.88Å
541G93.3Very high94.6Very high32 Ų3228.9 Ų28.933%0.3316%0.164SC..THydrogen-bonded Turntrans74.822.8-179.300000114.2H538 T539H538-G541 PolarHBondContact O-N 3.02Å; H538-G541 VanDerWaalsContact O-N 3.07Å; T539-G541 PolarHBondContact O-N 2.9Å
542L95.2Very high94.6Very high0 Ų028.8 Ų28.80%016%0.163CC..  trans-119.9174.4178.2-69.3172.1000111.1L442 M445 W446 I449 I537 M584 Q588L442-L542 HydrophobicContact CD2-CD2 4.07Å; M445-L542 HydrophobicContact CB-CD1 3.78Å; M445-L542 HydrophobicContact CB-CG 4.46Å; M445-L542 HydrophobicContact CE-CD2 4.12Å; M445-L542 HydrophobicContact CE-CG 4.04Å; W446-L542 HydrophobicContact CD2-CD1 3.83Å; W446-L542 HydrophobicContact CE3-CD1 4.41Å; W446-L542 HydrophobicContact CG-CD1 3.93Å; W446-L542 HydrophobicContact CZ2-CB 4.22Å; W446-L542 HydrophobicContact CZ2-CD1 4.36Å; I449-L542 HydrophobicContact CD1-CD1 3.72Å; I537-L542 HydrophobicContact CG2-CB 4.01Å; I537-L542 PolarHBondContact O-N 3.23Å; I537-L542 VanDerWaalsContact O-N 3.16Å; L542-M584 HydrophobicContact CD2-CE 4.02Å; L542-Q588 PolarHBondContact O-NE2 3.18Å
543A95.6Very high94.6Very high0 Ų028.1 Ų28.10%016%0.157CC..  trans-131.6144.5173.900000109.4W446 R545 M584 Y587 Q588 D591W446-A543 WeakPolarHBondContact CZ2-O 3.27Å; A543-R545 HydrophobicContact CB-CG 3.99Å; A543-M584 HydrophobicContact CB-CG 4.27Å; A543-M584 HydrophobicContact CB-SD 3.55Å; A543-M584 VanDerWaalsContact CB-SD 3.55Å; A543-M584 PolarHBondContact N-SD 3.09Å; A543-Y587 VanDerWaalsContact CB-CB 3.42Å; A543-Q588 HydrophobicContact CB-CG 3.97Å; A543-D591 WeakPolarHBondContact CA-OD2 3.39Å
544C95.4Very high94.6Very high0 Ų028.3 Ų28.30%016%0.158CC..  trans-67.9-47.7-174.1175.90000112.2L534 I537 V546 D591L534-C544 HydrophobicContact CD2-CB 3.52Å; I537-C544 HydrophobicContact CD1-CB 4.14Å; C544-V546 PolarHBondContact O-N 3.13Å; C544-D591 WeakPolarHBondContact CB-OD1 3.33Å; C544-D591 PolarHBondContact N-OD1 3.36Å; C544-D591 PolarHBondContact N-OD2 3.24Å
545R93.7Very high94.2Very high54 Ų5428.8 Ų28.820%0.20416%0.161CC..  trans61.1-11.1177-53.2179.271.9-167.9-2.4116A543 F568 T572 Y587 D591A543-R545 HydrophobicContact CB-CG 3.99Å; R545-F568 HydrophobicContact CB-CB 4.17Å; R545-F568 HydrophobicContact CB-CD2 3.73Å; R545-F568 HydrophobicContact CB-CG 4.35Å; R545-F568 PolarHBondContact NH1-O 3.03Å; R545-F568 WeakPolarHBondContact O-CD2 3.29Å; R545-F568 WeakPolarHBondContact O-CE2 3.48Å; R545-T572 PolarHBondContact NH1-OG1 2.96Å; R545-T572 VanDerWaalsContact NH1-OG1 3.11Å; R545-T572 PolarHBondContact NH2-OG1 2.8Å; R545-Y587 HydrophobicContact CG-CG 4.34Å; R545-D591 PolarHBondContact N-OD1 3.42Å
546V92.3Very high93.6Very high6 Ų624.4 Ų24.44%0.03615%0.154CC..  trans-117.325.3-178.1-60.10000113.8F406 C544 D548 K551 V562 N563 C564 V565 F568F406-V546 HydrophobicContact CE1-CG1 4.04Å; F406-V546 HydrophobicContact CZ-CG1 4.34Å; C544-V546 PolarHBondContact O-N 3.13Å; V546-D548 VanDerWaalsContact C-N 3.31Å; V546-D548 PolarHBondContact O-N 2.78Å; V546-K551 HydrophobicContact CB-CB 4.48Å; V546-K551 WeakPolarHBondContact O-CB 3.2Å; V546-V562 HydrophobicContact CG2-CG1 3.77Å; V546-N563 VanDerWaalsContact CG2-O 3.28Å; V546-N563 WeakPolarHBondContact CG2-O 3.45Å; V546-C564 HydrophobicContact CG1-CB 4.48Å; V546-C564 WeakPolarHBondContact CG1-O 3.47Å; V546-V565 HydrophobicContact CG2-CG1 4.14Å; V546-F568 HydrophobicContact CG1-CD2 3.59Å; V546-F568 HydrophobicContact CG1-CE2 3.71Å
547M94.1Very high92.9Very high10 Ų1028.6 Ų28.65%0.04917%0.168CC..  trans-73.178.4-179.5-173.660.571.300111.8L530 L534 I552 V562 L595 V598L530-M547 HydrophobicContact CB-CE 4.33Å; L530-M547 HydrophobicContact CD1-SD 4.19Å; L530-M547 HydrophobicContact CD2-CE 4.18Å; L530-M547 HydrophobicContact CD2-SD 4.05Å; L534-M547 HydrophobicContact CD1-CE 4.02Å; L534-M547 HydrophobicContact CD2-CE 3.67Å; L534-M547 HydrophobicContact CG-CE 3.74Å; M547-I552 HydrophobicContact SD-CD1 3.87Å; M547-I552 HydrophobicContact SD-CG1 4.35Å; M547-V562 HydrophobicContact CE-CG2 4.18Å; M547-L595 HydrophobicContact CG-CB 4.33Å; M547-L595 HydrophobicContact SD-CD1 4.41Å; M547-V598 HydrophobicContact CG-CG2 4.35Å
548D91.4Very high92.5Very high51 Ų5131.2 Ų31.227%0.27318%0.184SC..SBendtrans-142.1145.6-174.1173.3-96.7000111.4N405 V546 S550 K551 I552N405-D548 PolarHBondContact ND2-OD1 2.63Å; V546-D548 VanDerWaalsContact C-N 3.31Å; V546-D548 PolarHBondContact O-N 2.78Å; D548-S550 PolarHBondContact O-N 3.31Å; D548-S550 VanDerWaalsContact O-N 3.14Å; D548-S550 WeakPolarHBondContact OD1-CA 3.24Å; D548-S550 VanDerWaalsContact OD1-CB 3.26Å; D548-S550 WeakPolarHBondContact OD1-CB 3.32Å; D548-S550 PolarHBondContact OD1-N 3.21Å; D548-S550 PolarHBondContact OD1-OG 3.4Å; D548-K551 HydrophobicContact CB-CG 4.4Å; D548-K551 CarbonylContact O-C 3.59Å; D548-K551 PolarHBondContact O-N 3.32Å; D548-I552 WeakPolarHBondContact O-CG1 3.38Å; D548-I552 PolarHBondContact O-N 2.98Å
549P92.1Very high92.3Very high3 Ų334.3 Ų34.32%0.01920%0.195CC..THydrogen-bonded Turntrans-60.9-25-177-25.237.2000114.6M484 F485 F489 K551 V598 L607M484-P549 CarbonylContact C-O 3.6Å; M484-P549 HydrophobicContact CB-CB 4.33Å; M484-P549 WeakPolarHBondContact CB-O 3.37Å; M484-P549 HydrophobicContact CG-CB 4.2Å; M484-P549 PolarHBondContact N-O 3.01Å; M484-P549 HydrophobicContact SD-CB 4.43Å; F485-P549 HydrophobicContact CB-CB 4.2Å; F485-P549 PolarHBondContact N-O 3.41Å; F489-P549 HydrophobicContact CD2-CB 4.45Å; F489-P549 HydrophobicContact CE2-CB 4.18Å; F489-P549 HydrophobicContact CE2-CG 4.44Å; P549-K551 PolarHBondContact O-N 3.17Å; P549-V598 HydrophobicContact CG-CG2 4.26Å; P549-L607 HydrophobicContact CG-CD2 4.12Å
550S90.8Very high92.4Very high33 Ų3328.9 Ų28.923%0.23116%0.161CC..THydrogen-bonded Turntrans-81.80.2175.177.50000113.6N405 D548N405-S550 PolarHBondContact ND2-OG 3.03Å; D548-S550 PolarHBondContact O-N 3.31Å; D548-S550 VanDerWaalsContact O-N 3.14Å; D548-S550 WeakPolarHBondContact OD1-CA 3.24Å; D548-S550 VanDerWaalsContact OD1-CB 3.26Å; D548-S550 WeakPolarHBondContact OD1-CB 3.32Å; D548-S550 PolarHBondContact OD1-N 3.21Å; D548-S550 PolarHBondContact OD1-OG 3.4Å
551K93.1Very high92.5Very high28 Ų2827.7 Ų27.712%0.12215%0.148CC..THydrogen-bonded Turntrans-126.4-17.6-178.3-57.9-66.6157.7-70.30113F406 V546 D548 P549 N563 C564F406-K551 HydrophobicContact CE2-CD 4.1Å; F406-K551 HydrophobicContact CZ-CD 4.03Å; V546-K551 HydrophobicContact CB-CB 4.48Å; V546-K551 WeakPolarHBondContact O-CB 3.2Å; D548-K551 HydrophobicContact CB-CG 4.4Å; D548-K551 CarbonylContact O-C 3.59Å; D548-K551 PolarHBondContact O-N 3.32Å; P549-K551 PolarHBondContact O-N 3.17Å; K551-N563 WeakPolarHBondContact O-CB 3.45Å; K551-N563 PolarHBondContact O-N 2.93Å; K551-C564 HydrophobicContact CD-CB 4.18Å
552I96.4Very high92.6Very high0 Ų026.1 Ų26.10%013%0.132CC..EExtended strand (participates in β ladder)trans-78123163.7-58.8159.9000108.5T483 M484 L530 M547 D548 L560 V598T483-I552 CarbonylContact C-O 3.52Å; T483-I552 WeakPolarHBondContact CA-O 3.03Å; M484-I552 HydrophobicContact CB-CB 4.09Å; M484-I552 HydrophobicContact CB-CG2 4.21Å; M484-I552 HydrophobicContact CE-CD1 4.38Å; M484-I552 HydrophobicContact CE-CG2 3.82Å; M484-I552 PolarHBondContact N-O 3.34Å; M484-I552 HydrophobicContact SD-CB 4.36Å; M484-I552 HydrophobicContact SD-CD1 3.88Å; M484-I552 HydrophobicContact SD-CG2 4.29Å; L530-I552 HydrophobicContact CD1-CD1 4.05Å; L530-I552 HydrophobicContact CD2-CD1 4.17Å; L530-I552 HydrophobicContact CD2-CG1 4.2Å; L530-I552 HydrophobicContact CD2-CG2 4.24Å; M547-I552 HydrophobicContact SD-CD1 3.87Å; M547-I552 HydrophobicContact SD-CG1 4.35Å; D548-I552 WeakPolarHBondContact O-CG1 3.38Å; D548-I552 PolarHBondContact O-N 2.98Å; I552-L560 HydrophobicContact CG2-CB 4.38Å; I552-L560 HydrophobicContact CG2-CD1 4.24Å; I552-L560 HydrophobicContact CG2-CD2 4.08Å; I552-L560 HydrophobicContact CG2-CG 4.48Å; I552-V598 HydrophobicContact CD1-CG1 3.86Å; I552-V598 HydrophobicContact CD1-CG2 4.16Å
553L95.8Very high92.6Very high21 Ų2126.8 Ų26.811%0.1114%0.136CC..EExtended strand (participates in β ladder)trans-96149.3174-64.7179.9000111.4V455 A481 E482 T483 L560 R561 N563V455-L553 HydrophobicContact CG2-CD1 4.19Å; A481-L553 HydrophobicContact CB-CB 4.35Å; A481-L553 HydrophobicContact CB-CD1 4.1Å; A481-L553 HydrophobicContact CB-CD2 4.47Å; E482-L553 CarbonylContact O-C 3.49Å; E482-L553 VanDerWaalsContact O-CA 3.3Å; E482-L553 WeakPolarHBondContact O-CA 3.14Å; T483-L553 HydrophobicContact CG2-CD2 3.97Å; L553-L560 CarbonylContact O-C 3.39Å; L553-L560 VanDerWaalsContact O-CA 3.3Å; L553-L560 WeakPolarHBondContact O-CA 3.4Å; L553-R561 PolarHBondContact N-O 3.45Å; L553-R561 PolarHBondContact O-N 2.86Å; L553-N563 HydrophobicContact CD1-CB 3.87Å; L553-N563 HydrophobicContact CG-CB 3.96Å
554I95.4Very high92.5Very high4 Ų426.8 Ų26.82%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-122131.1175.2-46.6-164000108.2A481 E482 M484 R487 R559 L560A481-I554 WeakPolarHBondContact CA-O 3.28Å; E482-I554 PolarHBondContact N-O 2.81Å; E482-I554 PolarHBondContact O-N 3.24Å; M484-I554 HydrophobicContact CB-CD1 3.95Å; M484-I554 HydrophobicContact CB-CG1 4.2Å; M484-I554 HydrophobicContact CE-CD1 4.46Å; M484-I554 HydrophobicContact CG-CD1 4.23Å; R487-I554 HydrophobicContact CB-CD1 4.01Å; R487-I554 HydrophobicContact CG-CD1 4.05Å; I554-R559 WeakPolarHBondContact CA-O 3.26Å; I554-L560 HydrophobicContact CB-CD2 4.41Å; I554-L560 HydrophobicContact CD1-CD2 3.87Å; I554-L560 HydrophobicContact CG1-CD2 3.63Å; I554-L560 HydrophobicContact CG2-CD2 4.43Å
555T89.3Confident92.5Very high11 Ų1126.9 Ų26.97%0.06714%0.136CC..EExtended strand (participates in β ladder)trans-125.3126.9175.758.40000110.9H478 A481 R559 R561H478-T555 HydrophobicContact CB-CG2 4.38Å; A481-T555 HydrophobicContact CB-CG2 3.69Å; T555-R559 PolarHBondContact N-O 2.8Å; T555-R561 PolarHBondContact OG1-NH1 3.02Å
556G82.9Confident92.4Very high30 Ų3024.3 Ų24.331%0.30913%0.127SC..THydrogen-bonded Turntrans59.8-149.9-168.900000111
557K82.6Confident92.5Very high136 Ų13624 Ų2459%0.59113%0.125SC*.THydrogen-bonded Turntrans-68.1-44-169.1-55.5-174.1-176.7-175.80114.8E354E354-K557 WeakPolarHBondContact OE1-CE 3.36Å; E354-K557 IonicContact OE1-NZ 2.61Å; E354-K557 PolarHBondContact OE1-NZ 3.03Å; E354-K557 IonicContact OE2-NZ 3.59Å; E354-K557 PolarHBondContact OE2-NZ 3.11Å
558T88.1Confident92.5Very high54 Ų5425.5 Ų25.533%0.33113%0.131SC..THydrogen-bonded Turntrans-143.2-5.6-167.157.10000116.5L522 Q529 L560L522-T558 HydrophobicContact CD1-CG2 3.78Å; Q529-T558 PolarHBondContact NE2-O 2.97Å; T558-L560 PolarHBondContact O-N 2.72Å
559R92.1Very high92.5Very high92 Ų9223.3 Ų23.335%0.34712%0.119SC..EExtended strand (participates in β ladder)trans-80.9117.1-173.7-179178.1173.4-174-2.6111.3S452 I554 T555S452-R559 PolarHBondContact O-NE 3.33Å; S452-R559 PolarHBondContact O-NH2 3.11Å; I554-R559 WeakPolarHBondContact CA-O 3.26Å; T555-R559 PolarHBondContact N-O 2.8Å
560L95.9Very high92.5Very high0 Ų023.4 Ų23.40%012%0.12CC..EExtended strand (participates in β ladder)trans-89.4152.2176.2-60.7-169.9000112.9N453 M484 Y526 Q529 L530 I552 L553 I554 T558N453-L560 WeakPolarHBondContact CA-O 3.46Å; N453-L560 PolarHBondContact ND2-O 3.26Å; M484-L560 HydrophobicContact CE-CD1 3.84Å; M484-L560 HydrophobicContact CE-CD2 3.83Å; Y526-L560 HydrophobicContact CD1-CD1 3.63Å; Y526-L560 HydrophobicContact CD1-CD2 3.75Å; Y526-L560 HydrophobicContact CD1-CG 3.64Å; Y526-L560 HydrophobicContact CE1-CD1 4.43Å; Y526-L560 HydrophobicContact CE1-CD2 3.69Å; Y526-L560 HydrophobicContact CE1-CG 4.06Å; Y526-L560 HydrophobicContact CG-CD1 3.7Å; Y526-L560 HydrophobicContact CG-CD2 4.3Å; Y526-L560 HydrophobicContact CG-CG 4.23Å; Q529-L560 HydrophobicContact CB-CB 4.33Å; Q529-L560 HydrophobicContact CB-CD1 4.47Å; L530-L560 HydrophobicContact CD1-CD1 4.02Å; L530-L560 HydrophobicContact CD2-CD1 4Å; L530-L560 HydrophobicContact CG-CD1 3.74Å; I552-L560 HydrophobicContact CG2-CB 4.38Å; I552-L560 HydrophobicContact CG2-CD1 4.24Å; I552-L560 HydrophobicContact CG2-CD2 4.08Å; I552-L560 HydrophobicContact CG2-CG 4.48Å; L553-L560 CarbonylContact O-C 3.39Å; L553-L560 VanDerWaalsContact O-CA 3.3Å; L553-L560 WeakPolarHBondContact O-CA 3.4Å; I554-L560 HydrophobicContact CB-CD2 4.41Å; I554-L560 HydrophobicContact CD1-CD2 3.87Å; I554-L560 HydrophobicContact CG1-CD2 3.63Å; I554-L560 HydrophobicContact CG2-CD2 4.43Å; T558-L560 PolarHBondContact O-N 2.72Å
561R96.6Very high92.5Very high16 Ų1622.8 Ų22.86%0.0611%0.114CC..EExtended strand (participates in β ladder)trans-143.3140.9157.3-65.8173.2-164.274.8-26.3111.6N453 V455 H478 L553 T555N453-R561 CarbonylContact O-C 3.5Å; N453-R561 VanDerWaalsContact O-CA 3.26Å; N453-R561 WeakPolarHBondContact O-CA 3.49Å; V455-R561 HydrophobicContact CG2-CB 3.84Å; H478-R561 WeakPolarHBondContact CD2-CD 3.35Å; H478-R561 PolarHBondContact CD2-NE 3.28Å; H478-R561 VanDerWaalsContact CD2-NE 3.28Å; H478-R561 WeakPolarHBondContact NE2-CD 3.5Å; H478-R561 PolarHBondContact NE2-NE 2.75Å; L553-R561 PolarHBondContact N-O 3.45Å; L553-R561 PolarHBondContact O-N 2.86Å; T555-R561 PolarHBondContact OG1-NH1 3.02Å
562V96.4Very high92.3Very high0 Ų024.5 Ų24.50%013%0.127CC..EExtended strand (participates in β ladder)trans-81.7124.3169.1-171.40000109.9N453 V455 L530 V546 M547 V565N453-V562 PolarHBondContact O-N 3.27Å; V455-V562 PolarHBondContact N-O 2.7Å; L530-V562 HydrophobicContact CD2-CG2 3.79Å; V546-V562 HydrophobicContact CG2-CG1 3.77Å; M547-V562 HydrophobicContact CE-CG2 4.18Å; V562-V565 HydrophobicContact CG1-CG1 4.11Å
563N94.4Very high91.9Very high14 Ų1426.3 Ų26.38%0.07514%0.135CC..  trans-104.1167.1177.4-168.611.9000111.1V455 V546 K551 L553 V565V455-N563 HydrophobicContact CB-CB 4.46Å; V455-N563 HydrophobicContact CG2-CB 3.86Å; V546-N563 VanDerWaalsContact CG2-O 3.28Å; V546-N563 WeakPolarHBondContact CG2-O 3.45Å; K551-N563 WeakPolarHBondContact O-CB 3.45Å; K551-N563 PolarHBondContact O-N 2.93Å; L553-N563 HydrophobicContact CD1-CB 3.87Å; L553-N563 HydrophobicContact CG-CB 3.96Å; N563-V565 VanDerWaalsContact C-N 3.28Å; N563-V565 PolarHBondContact O-N 3.05Å
564C93.8Very high91.4Very high0 Ų028.3 Ų28.30%015%0.146CC..SBendtrans65.721.3178.7-490000115.1F406 R427 Y475 V546 K551 V567F406-C564 HydrophobicContact CE2-CB 4.42Å; F406-C564 HydrophobicContact CZ-CB 3.74Å; R427-C564 PolarHBondContact NE-SG 3.46Å; Y475-C564 WeakPolarHBondContact OH-CA 3.39Å; V546-C564 HydrophobicContact CG1-CB 4.48Å; V546-C564 WeakPolarHBondContact CG1-O 3.47Å; K551-C564 HydrophobicContact CD-CB 4.18Å; C564-V567 HydrophobicContact CB-CG2 4.06Å; C564-V567 WeakPolarHBondContact O-CB 3.43Å; C564-V567 VanDerWaalsContact O-CG2 3.27Å; C564-V567 WeakPolarHBondContact O-CG2 3.41Å; C564-V567 PolarHBondContact O-N 2.9Å
565V94.8Very high90.7Very high1 Ų131.8 Ų31.81%0.00616%0.164CC..THydrogen-bonded Turntrans-62.6143173.5-66.20000111.4W446 T454 Y475 V546 V562 N563 V567W446-V565 HydrophobicContact CD2-CB 4.36Å; W446-V565 HydrophobicContact CE3-CB 3.86Å; W446-V565 HydrophobicContact CE3-CG2 3.87Å; W446-V565 HydrophobicContact CH2-CB 3.68Å; W446-V565 HydrophobicContact CH2-CG1 3.96Å; W446-V565 HydrophobicContact CZ2-CB 4.18Å; W446-V565 HydrophobicContact CZ3-CB 3.51Å; W446-V565 HydrophobicContact CZ3-CG1 3.94Å; W446-V565 HydrophobicContact CZ3-CG2 3.87Å; T454-V565 HydrophobicContact CG2-CG1 3.98Å; T454-V565 HydrophobicContact CG2-CG2 3.92Å; Y475-V565 HydrophobicContact CE1-CG2 4.19Å; Y475-V565 PolarHBondContact OH-O 2.79Å; V546-V565 HydrophobicContact CG2-CG1 4.14Å; V562-V565 HydrophobicContact CG1-CG1 4.11Å; N563-V565 VanDerWaalsContact C-N 3.28Å; N563-V565 PolarHBondContact O-N 3.05Å; V565-V567 VanDerWaalsContact C-N 3.28Å; V565-V567 PolarHBondContact O-N 3.47Å
566G93.3Very high90.4Very high1 Ų136 Ų361%0.0119%0.194CC..THydrogen-bonded Turntrans80.5-7.4-175.600000115.9D569 V570G566-D569 WeakPolarHBondContact CA-OD2 3.46Å; G566-V570 PolarHBondContact O-N 2.91Å
567V94.1Very high90.3Very high0 Ų037.4 Ų37.40%019%0.192CC..Hα-helixtrans-64.8-49.9179.3173.30000111.4F406 I429 F473 Y475 C564 V565 D569 V570 L571F406-V567 HydrophobicContact CD1-CG1 3.73Å; F406-V567 HydrophobicContact CE1-CB 4Å; F406-V567 HydrophobicContact CE1-CG1 3.6Å; F406-V567 HydrophobicContact CG-CG1 4.35Å; F406-V567 HydrophobicContact CZ-CB 4.36Å; F406-V567 HydrophobicContact CZ-CG1 4.11Å; I429-V567 HydrophobicContact CD1-CG1 4.45Å; F473-V567 HydrophobicContact CD1-CG2 4.04Å; F473-V567 HydrophobicContact CD2-CG2 4.26Å; F473-V567 HydrophobicContact CE1-CB 4.41Å; F473-V567 HydrophobicContact CE1-CG2 4.05Å; F473-V567 HydrophobicContact CE2-CG1 4.45Å; F473-V567 HydrophobicContact CE2-CG2 4.26Å; F473-V567 HydrophobicContact CG-CG2 4.17Å; F473-V567 HydrophobicContact CZ-CB 4.32Å; F473-V567 HydrophobicContact CZ-CG1 4.37Å; F473-V567 HydrophobicContact CZ-CG2 4.16Å; Y475-V567 WeakPolarHBondContact OH-CG2 3.16Å; C564-V567 HydrophobicContact CB-CG2 4.06Å; C564-V567 WeakPolarHBondContact O-CB 3.43Å; C564-V567 VanDerWaalsContact O-CG2 3.27Å; C564-V567 WeakPolarHBondContact O-CG2 3.41Å; C564-V567 PolarHBondContact O-N 2.9Å; V565-V567 VanDerWaalsContact C-N 3.28Å; V565-V567 PolarHBondContact O-N 3.47Å; V567-D569 VanDerWaalsContact C-N 3.32Å; V567-D569 PolarHBondContact O-N 3.25Å; V567-V570 PolarHBondContact O-N 3.03Å; V567-L571 HydrophobicContact CG1-CD1 3.44Å; V567-L571 VanDerWaalsContact CG1-CD1 3.44Å; V567-L571 HydrophobicContact CG1-CG 3.97Å; V567-L571 WeakPolarHBondContact O-CB 3.45Å; V567-L571 WeakPolarHBondContact O-CG 3.47Å; V567-L571 PolarHBondContact O-N 3.08Å
568F92.9Very high90.1Very high40 Ų4038.1 Ų38.118%0.17521%0.208CC..Hα-helixtrans-67.8-32-179.8-76-61.8000113N405 F406 R545 V546 V570 L571 T572N405-F568 WeakPolarHBondContact O-CZ 3.49Å; F406-F568 HydrophobicContact CD1-CD1 4.4Å; F406-F568 AromaticContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE1 3.88Å; F406-F568 HydrophobicContact CD1-CE2 4.15Å; F406-F568 AromaticContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CD1-CZ 3.75Å; F406-F568 HydrophobicContact CE1-CD2 4.29Å; F406-F568 HydrophobicContact CE1-CE1 4.42Å; F406-F568 AromaticContact CE1-CE2 3.9Å; F406-F568 HydrophobicContact CE1-CE2 3.9Å; F406-F568 AromaticContact CE1-CZ 3.98Å; F406-F568 HydrophobicContact CE1-CZ 3.98Å; R545-F568 HydrophobicContact CB-CB 4.17Å; R545-F568 HydrophobicContact CB-CD2 3.73Å; R545-F568 HydrophobicContact CB-CG 4.35Å; R545-F568 PolarHBondContact NH1-O 3.03Å; R545-F568 WeakPolarHBondContact O-CD2 3.29Å; R545-F568 WeakPolarHBondContact O-CE2 3.48Å; V546-F568 HydrophobicContact CG1-CD2 3.59Å; V546-F568 HydrophobicContact CG1-CE2 3.71Å; F568-V570 PolarHBondContact O-N 3.5Å; F568-L571 PolarHBondContact O-N 3.48Å; F568-T572 HydrophobicContact CD1-CG2 4.12Å; F568-T572 WeakPolarHBondContact O-CB 3.49Å; F568-T572 PolarHBondContact O-N 3.23Å; F568-T572 PolarHBondContact O-OG1 2.92Å
569D92Very high89.8Confident5 Ų540.1 Ų40.13%0.02722%0.217CC..Hα-helixtrans-59.2-28176.5-55.2-114000112.7L442 W446 G566 V567L442-D569 HydrophobicContact CB-CB 4.23Å; L442-D569 HydrophobicContact CD1-CB 3.99Å; W446-D569 PolarHBondContact NE1-OD1 3.25Å; W446-D569 PolarHBondContact NE1-OD2 3.36Å; G566-D569 WeakPolarHBondContact CA-OD2 3.46Å; V567-D569 VanDerWaalsContact C-N 3.32Å; V567-D569 PolarHBondContact O-N 3.25Å
570V92.4Very high89.1Confident5 Ų537.3 Ų37.33%0.0321%0.208CC..Hα-helixtrans-94.9-48.4173.3179.20000111.6L434 C439 V443 L471 F473 G566 V567 F568 T572 F573L434-V570 HydrophobicContact CD1-CG1 4.16Å; C439-V570 HydrophobicContact CB-CG2 4.42Å; V443-V570 HydrophobicContact CG2-CG2 3.62Å; L471-V570 HydrophobicContact CD2-CG1 3.8Å; F473-V570 HydrophobicContact CE1-CB 4.32Å; F473-V570 HydrophobicContact CE1-CG2 4.11Å; F473-V570 HydrophobicContact CZ-CB 4Å; F473-V570 HydrophobicContact CZ-CG1 4.35Å; F473-V570 HydrophobicContact CZ-CG2 4.28Å; G566-V570 PolarHBondContact O-N 2.91Å; V567-V570 PolarHBondContact O-N 3.03Å; F568-V570 PolarHBondContact O-N 3.5Å; V570-T572 VanDerWaalsContact C-N 3.3Å; V570-T572 PolarHBondContact O-N 2.53Å; V570-F573 WeakPolarHBondContact O-CB 3.37Å; V570-F573 PolarHBondContact O-N 3.26Å
571L90.9Very high88.6Confident21 Ų2141 Ų4111%0.1123%0.227CC..Hα-helixtrans-69.6-23.1-174.6-65.6-173.9000114.3F406 Y408 I429 F432 L471 V567 F568F406-L571 HydrophobicContact CB-CD1 4.46Å; Y408-L571 HydrophobicContact CD2-CD1 3.96Å; Y408-L571 HydrophobicContact CD2-CD2 4.42Å; Y408-L571 HydrophobicContact CE2-CD1 4.31Å; Y408-L571 HydrophobicContact CE2-CD2 4.24Å; I429-L571 HydrophobicContact CD1-CD1 4.34Å; I429-L571 HydrophobicContact CG1-CD1 4.42Å; I429-L571 HydrophobicContact CG1-CD2 4.38Å; I429-L571 HydrophobicContact CG2-CD1 4.39Å; I429-L571 HydrophobicContact CG2-CD2 4.16Å; F432-L571 HydrophobicContact CD2-CD2 3.53Å; F432-L571 HydrophobicContact CE1-CD2 4.42Å; F432-L571 HydrophobicContact CE2-CD2 3.37Å; F432-L571 HydrophobicContact CG-CD2 4.14Å; F432-L571 HydrophobicContact CZ-CD2 3.85Å; L471-L571 HydrophobicContact CD2-CD2 4.01Å; V567-L571 HydrophobicContact CG1-CD1 3.44Å; V567-L571 VanDerWaalsContact CG1-CD1 3.44Å; V567-L571 HydrophobicContact CG1-CG 3.97Å; V567-L571 WeakPolarHBondContact O-CB 3.45Å; V567-L571 WeakPolarHBondContact O-CG 3.47Å; V567-L571 PolarHBondContact O-N 3.08Å; F568-L571 PolarHBondContact O-N 3.48Å
572T89Confident88.1Confident64 Ų6443.2 Ų43.239%0.39325%0.249SC..THydrogen-bonded Turntrans-112.922.117765.20000112.4R545 F568 V570 D574R545-T572 PolarHBondContact NH1-OG1 2.96Å; R545-T572 VanDerWaalsContact NH1-OG1 3.11Å; R545-T572 PolarHBondContact NH2-OG1 2.8Å; F568-T572 HydrophobicContact CD1-CG2 4.12Å; F568-T572 WeakPolarHBondContact O-CB 3.49Å; F568-T572 PolarHBondContact O-N 3.23Å; F568-T572 PolarHBondContact O-OG1 2.92Å; V570-T572 VanDerWaalsContact C-N 3.3Å; V570-T572 PolarHBondContact O-N 2.53Å; T572-D574 PolarHBondContact O-N 3.23Å; T572-D574 VanDerWaalsContact O-N 3.13Å
573F87.8Confident87.7Confident38 Ų3845.3 Ų45.317%0.16726%0.26CS..  trans-70.5106.1-177.8-171.6-93.6000112.1K438 C439 L442 V570 N575 H580K438-F573 HydrophobicContact CB-CE1 3.7Å; K438-F573 HydrophobicContact CB-CZ 3.59Å; K438-F573 HydrophobicContact CD-CE1 4.46Å; C439-F573 HydrophobicContact CB-CB 3.97Å; C439-F573 HydrophobicContact CB-CD1 4Å; C439-F573 HydrophobicContact CB-CD2 3.54Å; C439-F573 HydrophobicContact CB-CE1 4.4Å; C439-F573 HydrophobicContact CB-CE2 3.98Å; C439-F573 HydrophobicContact CB-CG 3.55Å; C439-F573 HydrophobicContact CB-CZ 4.38Å; L442-F573 HydrophobicContact CD1-CD2 4.18Å; L442-F573 HydrophobicContact CD1-CE2 4.29Å; V570-F573 WeakPolarHBondContact O-CB 3.37Å; V570-F573 PolarHBondContact O-N 3.26Å; F573-N575 HydrophobicContact CE1-CB 4.45Å; F573-N575 PolarHBondContact O-N 3.15Å; F573-H580 AromaticContact CE1-CE1 3.87Å; F573-H580 HydrophobicContact CE2-CB 4.2Å; F573-H580 AromaticContact CE2-CD2 3.78Å; F573-H580 AromaticContact CE2-CG 3.65Å; F573-H580 AromaticContact CE2-ND1 3.8Å; F573-H580 AromaticContact CZ-CD2 3.57Å; F573-H580 AromaticContact CZ-CE1 3.39Å; F573-H580 WeakPolarHBondContact CZ-CE1 3.24Å; F573-H580 AromaticContact CZ-CG 3.77Å; F573-H580 AromaticContact CZ-ND1 3.65Å; F573-H580 AromaticContact CZ-NE2 3.33Å; F573-H580 VanDerWaalsContact CZ-NE2 3.33Å; F573-H580 WeakPolarHBondContact CZ-NE2 3.47Å
574D84.6Confident87.6Confident63 Ų6345.1 Ų45.134%0.33726%0.259SS..  trans-85.1108.4176.3-176.7-1.4000111.4T572 S576 Q577 H580T572-D574 PolarHBondContact O-N 3.23Å; T572-D574 VanDerWaalsContact O-N 3.13Å; D574-S576 VanDerWaalsContact C-N 3.27Å; D574-S576 VanDerWaalsContact CG-OG 3.25Å; D574-S576 PolarHBondContact O-N 3.45Å; D574-S576 VanDerWaalsContact OD1-CB 3.28Å; D574-S576 WeakPolarHBondContact OD1-CB 3.42Å; D574-S576 PolarHBondContact OD1-N 3.19Å; D574-S576 PolarHBondContact OD1-OG 2.89Å; D574-S576 PolarHBondContact OD2-OG 3.44Å; D574-Q577 HydrophobicContact CB-CG 4.29Å; D574-Q577 WeakPolarHBondContact OD2-CG 3.47Å; D574-Q577 PolarHBondContact OD2-NE2 3.19Å; D574-H580 PolarHBondContact O-CE1 3.01Å; D574-H580 PolarHBondContact O-ND1 3.16Å; D574-H580 VanDerWaalsContact O-ND1 3.11Å
575N81Confident87.5Confident77 Ų7747.7 Ų47.741%0.41228%0.275SS..THydrogen-bonded Turntrans-74.6-10.5177.3176.657.2000114N436 K438 F573N436-N575 PolarHBondContact ND2-ND2 2.83Å; N436-N575 PolarHBondContact ND2-OD1 3.25Å; K438-N575 WeakPolarHBondContact CD-OD1 3.25Å; K438-N575 WeakPolarHBondContact CE-OD1 3.32Å; K438-N575 PolarHBondContact NZ-OD1 3.24Å; F573-N575 HydrophobicContact CE1-CB 4.45Å; F573-N575 PolarHBondContact O-N 3.15Å
576S82.9Confident87.3Confident98 Ų9853.5 Ų53.569%0.68530%0.303SS*.THydrogen-bonded Turntrans-77.7-22.9175.475.20000112.9D574D574-S576 VanDerWaalsContact C-N 3.27Å; D574-S576 VanDerWaalsContact CG-OG 3.25Å; D574-S576 PolarHBondContact O-N 3.45Å; D574-S576 VanDerWaalsContact OD1-CB 3.28Å; D574-S576 WeakPolarHBondContact OD1-CB 3.42Å; D574-S576 PolarHBondContact OD1-N 3.19Å; D574-S576 PolarHBondContact OD1-OG 2.89Å; D574-S576 PolarHBondContact OD2-OG 3.44Å
577Q81.3Confident87.4Confident60 Ų6056.5 Ų56.528%0.2831%0.314SS..  trans-78128.3179.8-69.7174.137.700111.7D574 N579 H580D574-Q577 HydrophobicContact CB-CG 4.29Å; D574-Q577 WeakPolarHBondContact OD2-CG 3.47Å; D574-Q577 PolarHBondContact OD2-NE2 3.19Å; Q577-N579 VanDerWaalsContact C-N 3.3Å; Q577-N579 PolarHBondContact O-N 3.06Å; Q577-H580 PolarHBondContact O-CE1 3.17Å; Q577-H580 PolarHBondContact O-ND1 3.07Å
578T77.5Confident87.4Confident151 Ų15158.3 Ų58.393%0.92632%0.322SS*.SBendtrans-72.1-22.5176.4-340000113.1
579N82.3Confident87.5Confident96 Ų9658 Ų5851%0.51332%0.321SS..  trans-136.791.5179.9-178.5-0.8000110.9Q577 L581 A582Q577-N579 VanDerWaalsContact C-N 3.3Å; Q577-N579 PolarHBondContact O-N 3.06Å; N579-L581 PolarHBondContact O-N 2.92Å; N579-L581 VanDerWaalsContact O-N 3.12Å; N579-L581 PolarHBondContact OD1-N 3.03Å; N579-L581 VanDerWaalsContact OD1-N 3.12Å; N579-A582 HydrophobicContact CB-CB 4.4Å; N579-A582 VanDerWaalsContact O-CB 3.31Å; N579-A582 WeakPolarHBondContact O-CB 3.37Å; N579-A582 PolarHBondContact O-N 3.28Å; N579-A582 VanDerWaalsContact O-N 3.08Å
580H77.4Confident87.6Confident33 Ų3360 Ų6015%0.15334%0.338CS..THydrogen-bonded Turntrans-63.4-14.9-179-47-66.4000114.2F573 D574 Q577F573-H580 AromaticContact CE1-CE1 3.87Å; F573-H580 HydrophobicContact CE2-CB 4.2Å; F573-H580 AromaticContact CE2-CD2 3.78Å; F573-H580 AromaticContact CE2-CG 3.65Å; F573-H580 AromaticContact CE2-ND1 3.8Å; F573-H580 AromaticContact CZ-CD2 3.57Å; F573-H580 AromaticContact CZ-CE1 3.39Å; F573-H580 WeakPolarHBondContact CZ-CE1 3.24Å; F573-H580 AromaticContact CZ-CG 3.77Å; F573-H580 AromaticContact CZ-ND1 3.65Å; F573-H580 AromaticContact CZ-NE2 3.33Å; F573-H580 VanDerWaalsContact CZ-NE2 3.33Å; F573-H580 WeakPolarHBondContact CZ-NE2 3.47Å; D574-H580 PolarHBondContact O-CE1 3.01Å; D574-H580 PolarHBondContact O-ND1 3.16Å; D574-H580 VanDerWaalsContact O-ND1 3.11Å; Q577-H580 PolarHBondContact O-CE1 3.17Å; Q577-H580 PolarHBondContact O-ND1 3.07Å
581L84.8Confident87.8Confident78 Ų7859.8 Ų59.841%0.40834%0.337SS..THydrogen-bonded Turntrans-85.3-12.3176.1-65.2172.1000113.1L442 N579 L583 M584L442-L581 HydrophobicContact CD2-CD2 4.19Å; N579-L581 PolarHBondContact O-N 2.92Å; N579-L581 VanDerWaalsContact O-N 3.12Å; N579-L581 PolarHBondContact OD1-N 3.03Å; N579-L581 VanDerWaalsContact OD1-N 3.12Å; L581-L583 VanDerWaalsContact C-N 3.29Å; L581-L583 PolarHBondContact O-N 3.35Å; L581-M584 HydrophobicContact CD2-CE 4.02Å; L581-M584 VanDerWaalsContact O-CB 3.22Å; L581-M584 WeakPolarHBondContact O-CB 3.44Å; L581-M584 PolarHBondContact O-N 2.93Å
582A86.6Confident88Confident63 Ų6358.9 Ų58.952%0.52133%0.333SS..THydrogen-bonded Turntrans-63.1-31.5-176.100000113.7N579N579-A582 HydrophobicContact CB-CB 4.4Å; N579-A582 VanDerWaalsContact O-CB 3.31Å; N579-A582 WeakPolarHBondContact O-CB 3.37Å; N579-A582 PolarHBondContact O-N 3.28Å; N579-A582 VanDerWaalsContact O-N 3.08Å
583L88.3Confident88.3Confident44 Ų4457.2 Ų57.223%0.2332%0.322CS..THydrogen-bonded Turntrans-82.5-11.5175.3-67.4175.3000113.4L581 Q586 Y587L581-L583 VanDerWaalsContact C-N 3.29Å; L581-L583 PolarHBondContact O-N 3.35Å; L583-Q586 WeakPolarHBondContact O-CB 3.4Å; L583-Q586 PolarHBondContact O-N 2.96Å; L583-Y587 HydrophobicContact CB-CD2 4.43Å; L583-Y587 HydrophobicContact CB-CE2 3.86Å; L583-Y587 PolarHBondContact O-N 3.18Å
584M91.3Very high88.6Confident9 Ų957.2 Ų57.24%0.04433%0.327CS..Hα-helixtrans-59.6-40.8-171.9-155.965.670.100113.8L542 A543 L581 Q586 Y587 Q588L542-M584 HydrophobicContact CD2-CE 4.02Å; A543-M584 HydrophobicContact CB-CG 4.27Å; A543-M584 HydrophobicContact CB-SD 3.55Å; A543-M584 VanDerWaalsContact CB-SD 3.55Å; A543-M584 PolarHBondContact N-SD 3.09Å; L581-M584 HydrophobicContact CD2-CE 4.02Å; L581-M584 VanDerWaalsContact O-CB 3.22Å; L581-M584 WeakPolarHBondContact O-CB 3.44Å; L581-M584 PolarHBondContact O-N 2.93Å; M584-Q586 PolarHBondContact O-N 2.8Å; M584-Y587 PolarHBondContact O-N 3.37Å; M584-Y587 VanDerWaalsContact O-N 3.13Å; M584-Y587 HydrophobicContact SD-CD2 4.09Å; M584-Q588 WeakPolarHBondContact O-CG 3.19Å; M584-Q588 PolarHBondContact O-N 2.82Å
585P92.1Very high89.2Confident54 Ų5454.2 Ų54.235%0.35131%0.311SS..Hα-helixtrans-59.8-29.6174.9-25.236000113.9Q588 Q589P585-Q588 PolarHBondContact O-N 3.43Å; P585-Q589 WeakPolarHBondContact O-CG 3.28Å; P585-Q589 PolarHBondContact O-N 2.59Å; P585-Q589 VanDerWaalsContact O-N 3.13Å
586Q91.9Very high89.8Confident124 Ų12450.6 Ų50.658%0.57929%0.291SS*.Hα-helixtrans-73-42.5175.8-57-178.2-0.200110.9L583 M584 Q588 Q589 A590L583-Q586 WeakPolarHBondContact O-CB 3.4Å; L583-Q586 PolarHBondContact O-N 2.96Å; M584-Q586 PolarHBondContact O-N 2.8Å; Q586-Q588 VanDerWaalsContact C-N 3.28Å; Q586-Q588 PolarHBondContact O-N 3.21Å; Q586-Q589 PolarHBondContact O-N 3.31Å; Q586-Q589 VanDerWaalsContact O-N 3.17Å; Q586-A590 PolarHBondContact O-N 3.08Å
587Y94Very high90.4Very high64 Ų6450 Ų5025%0.25128%0.277SS..Hα-helixtrans-63.3-34.5172.5-60.4-37000112A543 R545 L583 M584 A590 D591A543-Y587 VanDerWaalsContact CB-CB 3.42Å; R545-Y587 HydrophobicContact CG-CG 4.34Å; L583-Y587 HydrophobicContact CB-CD2 4.43Å; L583-Y587 HydrophobicContact CB-CE2 3.86Å; L583-Y587 PolarHBondContact O-N 3.18Å; M584-Y587 PolarHBondContact O-N 3.37Å; M584-Y587 VanDerWaalsContact O-N 3.13Å; M584-Y587 HydrophobicContact SD-CD2 4.09Å; Y587-A590 WeakPolarHBondContact O-CB 3.46Å; Y587-A590 PolarHBondContact O-N 3.17Å; Y587-D591 PolarHBondContact O-N 2.83Å
588Q95.1Very high91.1Very high38 Ų3847.3 Ų47.318%0.17826%0.264CS..Hα-helixtrans-65.6-34.6172.7-68.2178.9-13.800112.7H538 L542 A543 M584 P585 Q586 L592H538-Q588 PolarHBondContact CE1-O 3.23Å; H538-Q588 PolarHBondContact O-NE2 3.21Å; L542-Q588 PolarHBondContact O-NE2 3.18Å; A543-Q588 HydrophobicContact CB-CG 3.97Å; M584-Q588 WeakPolarHBondContact O-CG 3.19Å; M584-Q588 PolarHBondContact O-N 2.82Å; P585-Q588 PolarHBondContact O-N 3.43Å; Q586-Q588 VanDerWaalsContact C-N 3.28Å; Q586-Q588 PolarHBondContact O-N 3.21Å; Q588-L592 PolarHBondContact O-N 3.32Å
589Q94.4Very high92Very high32 Ų3240.2 Ų40.215%0.1522%0.221CC..Hα-helixtrans-66.8-40.7169-62.7-45.6-70.600111.8P585 Q586 D591 L592 V593 L644 R645P585-Q589 WeakPolarHBondContact O-CG 3.28Å; P585-Q589 PolarHBondContact O-N 2.59Å; P585-Q589 VanDerWaalsContact O-N 3.13Å; Q586-Q589 PolarHBondContact O-N 3.31Å; Q586-Q589 VanDerWaalsContact O-N 3.17Å; Q589-D591 VanDerWaalsContact C-N 3.3Å; Q589-D591 PolarHBondContact O-N 3.43Å; Q589-L592 PolarHBondContact O-N 3.3Å; Q589-V593 PolarHBondContact O-N 3.2Å; Q589-V593 VanDerWaalsContact O-N 3.12Å; Q589-L644 HydrophobicContact CG-CD2 3.68Å; Q589-R645 PolarHBondContact NE2-O 2.87Å
590A94.1Very high92.5Very high47 Ų4735.7 Ų35.739%0.38820%0.197SC..Hα-helixtrans-63.5-34177.800000112.5Q586 Y587 V593 S594Q586-A590 PolarHBondContact O-N 3.08Å; Y587-A590 WeakPolarHBondContact O-CB 3.46Å; Y587-A590 PolarHBondContact O-N 3.17Å; A590-V593 PolarHBondContact O-N 3.32Å; A590-S594 VanDerWaalsContact O-CB 3.28Å; A590-S594 WeakPolarHBondContact O-CB 3.42Å; A590-S594 PolarHBondContact O-N 3.32Å; A590-S594 PolarHBondContact O-OG 3.2Å
591D96.1Very high93.3Very high2 Ų234.1 Ų34.11%0.01119%0.189CC..Hα-helixtrans-60.8-43.9172.5-73.2-24.6000112.1L534 H538 A543 C544 R545 Y587 Q589 S594 L595L534-D591 HydrophobicContact CD1-CB 4.35Å; L534-D591 HydrophobicContact CD2-CB 3.97Å; H538-D591 IonicContact CD2-OD2 3.53Å; H538-D591 IonicContact CE1-OD2 2.7Å; H538-D591 IonicContact NE2-OD2 2.69Å; H538-D591 PolarHBondContact NE2-OD2 3.26Å; A543-D591 WeakPolarHBondContact CA-OD2 3.39Å; C544-D591 WeakPolarHBondContact CB-OD1 3.33Å; C544-D591 PolarHBondContact N-OD1 3.36Å; C544-D591 PolarHBondContact N-OD2 3.24Å; R545-D591 PolarHBondContact N-OD1 3.42Å; Y587-D591 PolarHBondContact O-N 2.83Å; Q589-D591 VanDerWaalsContact C-N 3.3Å; Q589-D591 PolarHBondContact O-N 3.43Å; D591-S594 PolarHBondContact O-N 3.02Å; D591-L595 PolarHBondContact O-N 3.39Å
592L95.4Very high93.7Very high2 Ų230.5 Ų30.51%0.0117%0.17CC..Hα-helixtrans-65.4-44.3179.3-67.7174.2000111.5Q588 Q589 S594 L595 G596 L637 R645 V647Q588-L592 PolarHBondContact O-N 3.32Å; Q589-L592 PolarHBondContact O-N 3.3Å; L592-S594 VanDerWaalsContact C-N 3.31Å; L592-S594 PolarHBondContact O-N 2.9Å; L592-L595 PolarHBondContact O-N 3.03Å; L592-G596 PolarHBondContact O-N 3.46Å; L592-L637 HydrophobicContact CB-CD2 4.09Å; L592-L637 HydrophobicContact CD2-CD2 4.15Å; L592-R645 HydrophobicContact CD1-CB 3.68Å; L592-V647 HydrophobicContact CD2-CG2 3.83Å
593V94.9Very high93.9Very high29 Ų2927.5 Ų27.518%0.17615%0.146CC..Hα-helixtrans-62.5-39.6173.8175.90000111Q589 A590 G596 K597 L638Q589-V593 PolarHBondContact O-N 3.2Å; Q589-V593 VanDerWaalsContact O-N 3.12Å; A590-V593 PolarHBondContact O-N 3.32Å; V593-G596 PolarHBondContact O-N 3Å; V593-K597 WeakPolarHBondContact O-CG 3.21Å; V593-K597 PolarHBondContact O-N 3.5Å; V593-L638 HydrophobicContact CG1-CD2 4.35Å
594S95.1Very high94Very high37 Ų3725.5 Ų25.526%0.25914%0.135SC..Hα-helixtrans-68.6-38.9178.6-57.50000112.2A590 D591 L592 G596 K597 V598A590-S594 VanDerWaalsContact O-CB 3.28Å; A590-S594 WeakPolarHBondContact O-CB 3.42Å; A590-S594 PolarHBondContact O-N 3.32Å; A590-S594 PolarHBondContact O-OG 3.2Å; D591-S594 PolarHBondContact O-N 3.02Å; L592-S594 VanDerWaalsContact C-N 3.31Å; L592-S594 PolarHBondContact O-N 2.9Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.16Å; S594-K597 WeakPolarHBondContact O-CB 3.36Å; S594-K597 PolarHBondContact O-N 3.06Å; S594-V598 WeakPolarHBondContact O-CG2 3.28Å; S594-V598 PolarHBondContact O-N 3.09Å
595L96.1Very high93.9Very high1 Ų125.7 Ų25.71%0.00514%0.136CC..Hα-helixtrans-58.4-45.3169178.764.6000110.8L530 L534 M547 D591 L592 K597 V598 V599 L637L530-L595 HydrophobicContact CB-CD1 3.81Å; L530-L595 HydrophobicContact CD1-CD1 3.83Å; L530-L595 HydrophobicContact CG-CD1 4.48Å; L534-L595 HydrophobicContact CD1-CB 4.33Å; L534-L595 HydrophobicContact CD1-CD2 4.06Å; M547-L595 HydrophobicContact CG-CB 4.33Å; M547-L595 HydrophobicContact SD-CD1 4.41Å; D591-L595 PolarHBondContact O-N 3.39Å; L592-L595 PolarHBondContact O-N 3.03Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.2Å; L595-V598 PolarHBondContact O-N 2.95Å; L595-V599 HydrophobicContact CD1-CG2 4.17Å; L595-V599 HydrophobicContact CG-CG2 4.41Å; L595-V599 VanDerWaalsContact O-CG2 3.29Å; L595-V599 WeakPolarHBondContact O-CG2 3.19Å; L595-V599 PolarHBondContact O-N 3.33Å; L595-L637 HydrophobicContact CD2-CD1 4.17Å; L595-L637 HydrophobicContact CG-CD1 4.12Å
596G95.4Very high93.6Very high0 Ų023.1 Ų23.10%012%0.12CC..Hα-helixtrans-56.7-40.917500000113.1L592 V593 S594 L600L592-G596 PolarHBondContact O-N 3.46Å; V593-G596 PolarHBondContact O-N 3Å; S594-G596 VanDerWaalsContact C-N 3.33Å; S594-G596 PolarHBondContact O-N 3.16Å; G596-L600 WeakPolarHBondContact O-CB 3.44Å; G596-L600 PolarHBondContact O-N 3.4Å
597K94.6Very high93.3Very high87 Ų8720.2 Ų20.238%0.37811%0.108SC..Hα-helixtrans-67-43.2175.8-69.6173.5178.3174.50112.6V593 S594 L595 L600 A601 I610 L638V593-K597 WeakPolarHBondContact O-CG 3.21Å; V593-K597 PolarHBondContact O-N 3.5Å; S594-K597 WeakPolarHBondContact O-CB 3.36Å; S594-K597 PolarHBondContact O-N 3.06Å; L595-K597 VanDerWaalsContact C-N 3.29Å; L595-K597 PolarHBondContact O-N 3.2Å; K597-L600 PolarHBondContact O-N 3.43Å; K597-A601 WeakPolarHBondContact O-CB 3.33Å; K597-A601 PolarHBondContact O-N 2.92Å; K597-I610 HydrophobicContact CB-CG2 3.96Å; K597-I610 HydrophobicContact CD-CG2 3.83Å; K597-I610 HydrophobicContact CG-CG2 3.87Å; K597-L638 HydrophobicContact CG-CD2 3.79Å
598V95.4Very high92.8Very high3 Ų318 Ų182%0.01810%0.103CC..Hα-helixtrans-60.5-46175.4169.80000110.7M484 L530 M547 P549 I552 S594 L595 A601 L602M484-V598 HydrophobicContact SD-CG1 3.84Å; L530-V598 HydrophobicContact CD1-CG1 4.41Å; M547-V598 HydrophobicContact CG-CG2 4.35Å; P549-V598 HydrophobicContact CG-CG2 4.26Å; I552-V598 HydrophobicContact CD1-CG1 3.86Å; I552-V598 HydrophobicContact CD1-CG2 4.16Å; S594-V598 WeakPolarHBondContact O-CG2 3.28Å; S594-V598 PolarHBondContact O-N 3.09Å; L595-V598 PolarHBondContact O-N 2.95Å; V598-A601 PolarHBondContact O-N 2.84Å; V598-L602 HydrophobicContact CG1-CD1 3.99Å; V598-L602 VanDerWaalsContact O-CG 3.32Å; V598-L602 WeakPolarHBondContact O-CG 3.42Å; V598-L602 PolarHBondContact O-N 3.25Å
599V96.1Very high92Very high2 Ų216.2 Ų16.21%0.01210%0.095CC..Hα-helixtrans-65.7-42.2179.6176.40000111.5I523 I527 L595 L602 A603 L630 I634I523-V599 HydrophobicContact CG2-CG1 4.06Å; I527-V599 HydrophobicContact CD1-CG1 3.88Å; I527-V599 HydrophobicContact CD1-CG2 4.13Å; I527-V599 HydrophobicContact CG1-CG1 4.3Å; I527-V599 HydrophobicContact CG1-CG2 3.62Å; L595-V599 HydrophobicContact CD1-CG2 4.17Å; L595-V599 HydrophobicContact CG-CG2 4.41Å; L595-V599 VanDerWaalsContact O-CG2 3.29Å; L595-V599 WeakPolarHBondContact O-CG2 3.19Å; L595-V599 PolarHBondContact O-N 3.33Å; V599-L602 PolarHBondContact O-N 2.82Å; V599-A603 WeakPolarHBondContact O-CB 3.41Å; V599-A603 PolarHBondContact O-N 2.88Å; V599-L630 HydrophobicContact CG1-CD1 3.71Å; V599-I634 HydrophobicContact CB-CG1 4.31Å; V599-I634 HydrophobicContact CG1-CD1 3.91Å; V599-I634 HydrophobicContact CG1-CG1 3.63Å
600L94.4Very high91.6Very high1 Ų117.3 Ų17.31%0.00510%0.101CC..Hα-helixtrans-62.1-43.5174.6-17960.5000111.9G596 K597 L602 A603 C604 G609 L615 A618 M619 V622 I634 L638G596-L600 WeakPolarHBondContact O-CB 3.44Å; G596-L600 PolarHBondContact O-N 3.4Å; K597-L600 PolarHBondContact O-N 3.43Å; L600-L602 PolarHBondContact O-N 3.19Å; L600-A603 PolarHBondContact O-N 3.34Å; L600-C604 PolarHBondContact O-N 2.99Å; L600-G609 WeakPolarHBondContact CD2-O 3.33Å; L600-L615 HydrophobicContact CD2-CD1 3.47Å; L600-L615 VanDerWaalsContact CD2-CD1 3.47Å; L600-A618 HydrophobicContact CD1-CB 3.82Å; L600-A618 HydrophobicContact CD2-CB 4.03Å; L600-A618 HydrophobicContact CG-CB 4.14Å; L600-M619 HydrophobicContact CD1-SD 4.08Å; L600-V622 HydrophobicContact CD1-CG2 3.73Å; L600-I634 HydrophobicContact CB-CG2 4.13Å; L600-I634 HydrophobicContact CD1-CG2 4.27Å; L600-L638 HydrophobicContact CD2-CD1 3.81Å
601A92.7Very high91.1Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-61.8-42.2178.200000112.3F489 K597 V598 C604 N605 S606 L607 I610F489-A601 HydrophobicContact CE1-CB 3.86Å; F489-A601 WeakPolarHBondContact CE1-O 3.49Å; F489-A601 HydrophobicContact CZ-CB 3.82Å; K597-A601 WeakPolarHBondContact O-CB 3.33Å; K597-A601 PolarHBondContact O-N 2.92Å; V598-A601 PolarHBondContact O-N 2.84Å; A601-C604 PolarHBondContact O-N 2.67Å; A601-N605 VanDerWaalsContact O-CA 3.28Å; A601-N605 WeakPolarHBondContact O-CA 3.37Å; A601-N605 PolarHBondContact O-N 3.45Å; A601-S606 WeakPolarHBondContact CA-O 3.47Å; A601-S606 PolarHBondContact O-N 2.66Å; A601-S606 VanDerWaalsContact O-N 3.07Å; A601-L607 HydrophobicContact CB-CD2 4.19Å; A601-I610 HydrophobicContact CB-CD1 3.81Å; A601-I610 HydrophobicContact CB-CG1 3.85Å
602L93Very high90.5Very high2 Ų230.1 Ų30.11%0.0114%0.142CC..Hα-helixtrans-63.1-42.4174.2-71.8164000111.7M484 F489 L518 Y526 V598 V599 L600 N605M484-L602 HydrophobicContact CE-CD1 4.12Å; M484-L602 HydrophobicContact CE-CD2 4.46Å; M484-L602 HydrophobicContact CG-CD2 4.24Å; M484-L602 HydrophobicContact SD-CD1 4.03Å; M484-L602 HydrophobicContact SD-CD2 4.07Å; M484-L602 HydrophobicContact SD-CG 4.34Å; F489-L602 HydrophobicContact CE2-CD2 4.06Å; F489-L602 HydrophobicContact CZ-CD2 4.12Å; F489-L602 HydrophobicContact CZ-CG 4.32Å; L518-L602 HydrophobicContact CD1-CB 4.15Å; L518-L602 HydrophobicContact CD1-CD2 3.59Å; Y526-L602 HydrophobicContact CD2-CD1 3.96Å; Y526-L602 HydrophobicContact CD2-CD2 4.35Å; Y526-L602 HydrophobicContact CE2-CD2 4.35Å; V598-L602 HydrophobicContact CG1-CD1 3.99Å; V598-L602 VanDerWaalsContact O-CG 3.32Å; V598-L602 WeakPolarHBondContact O-CG 3.42Å; V598-L602 PolarHBondContact O-N 3.25Å; V599-L602 PolarHBondContact O-N 2.82Å; L600-L602 PolarHBondContact O-N 3.19Å; L602-N605 PolarHBondContact O-N 3.49Å
603A92.4Very high90Very high0 Ų036.5 Ų36.50%017%0.172CC..Hα-helixtrans-68.2-33.4179.100000112.9I523 V599 L600 V622 Y626 L630I523-A603 HydrophobicContact CD1-CB 4.2Å; V599-A603 WeakPolarHBondContact O-CB 3.41Å; V599-A603 PolarHBondContact O-N 2.88Å; L600-A603 PolarHBondContact O-N 3.34Å; A603-V622 HydrophobicContact CB-CG2 3.83Å; A603-Y626 HydrophobicContact CB-CD2 4.39Å; A603-Y626 HydrophobicContact CB-CE2 3.92Å; A603-Y626 WeakPolarHBondContact O-CE2 3.5Å; A603-Y626 PolarHBondContact O-OH 3.04Å; A603-L630 HydrophobicContact CB-CD2 4.37Å
604C89Confident89.6Confident1 Ų136.3 Ų36.31%0.00717%0.17CC..Hα-helixtrans-84.6-8.3172.2-64.40000114.3F498 L600 A601 S606F498-C604 HydrophobicContact CD2-CB 4.21Å; F498-C604 HydrophobicContact CG-CB 4.44Å; L600-C604 PolarHBondContact O-N 2.99Å; A601-C604 PolarHBondContact O-N 2.67Å; C604-S606 PolarHBondContact O-N 2.89Å
605N89Confident89.3Confident13 Ų1337.6 Ų37.67%0.0717%0.174CC..THydrogen-bonded Turntrans42.139.6-165.4-151.918.7000114.2H488 G516 A601 L602H488-N605 PolarHBondContact O-OD1 3.33Å; G516-N605 PolarHBondContact O-ND2 3.42Å; A601-N605 VanDerWaalsContact O-CA 3.28Å; A601-N605 WeakPolarHBondContact O-CA 3.37Å; A601-N605 PolarHBondContact O-N 3.45Å; L602-N605 PolarHBondContact O-N 3.49Å
606S87.3Confident88.9Confident1 Ų144.6 Ų44.61%0.00721%0.207CC..SBendtrans-156.3137.3-175171.50000110.9D495 A601 C604 A608D495-S606 VanDerWaalsContact OD1-CB 3.24Å; D495-S606 WeakPolarHBondContact OD1-CB 3.32Å; D495-S606 PolarHBondContact OD1-OG 2.93Å; A601-S606 WeakPolarHBondContact CA-O 3.47Å; A601-S606 PolarHBondContact O-N 2.66Å; A601-S606 VanDerWaalsContact O-N 3.07Å; C604-S606 PolarHBondContact O-N 2.89Å; S606-A608 VanDerWaalsContact C-N 3.3Å; S606-A608 WeakPolarHBondContact OG-CB 3.16Å; S606-A608 PolarHBondContact OG-N 3.15Å; S606-A608 VanDerWaalsContact OG-N 3.1Å
607L85.1Confident88.5Confident63 Ų6348.4 Ų48.433%0.3322%0.223SC..G310 helixtrans-73.3-21.6171.9-63.8-171.2000112.7F485 F489 P549 A601 G609 I610F485-L607 HydrophobicContact CD2-CD1 3.82Å; F485-L607 HydrophobicContact CE2-CD1 3.6Å; F485-L607 HydrophobicContact CE2-CG 4.41Å; F489-L607 HydrophobicContact CD1-CD2 3.8Å; F489-L607 HydrophobicContact CD1-CG 3.92Å; F489-L607 HydrophobicContact CE1-CD2 3.8Å; F489-L607 HydrophobicContact CE1-CG 4.35Å; F489-L607 HydrophobicContact CG-CD2 4.19Å; F489-L607 HydrophobicContact CG-CG 4.32Å; F489-L607 HydrophobicContact CZ-CD2 4.2Å; P549-L607 HydrophobicContact CG-CD2 4.12Å; A601-L607 HydrophobicContact CB-CD2 4.19Å; L607-G609 PolarHBondContact O-N 3.27Å; L607-I610 HydrophobicContact CD2-CD1 3.97Å; L607-I610 WeakPolarHBondContact O-CB 3.23Å; L607-I610 WeakPolarHBondContact O-CG1 3.49Å; L607-I610 PolarHBondContact O-N 3.04Å; L607-I610 VanDerWaalsContact O-N 3.08Å
608A83.3Confident88.3Confident18 Ų1844.3 Ų44.315%0.14921%0.205CC..G310 helixtrans-64.7-23.8178.800000112.2F498 T499 S606 I610 Q611 N614F498-A608 HydrophobicContact CD1-CB 4.1Å; F498-A608 HydrophobicContact CE1-CB 4.11Å; T499-A608 HydrophobicContact CG2-CB 4.43Å; S606-A608 VanDerWaalsContact C-N 3.3Å; S606-A608 WeakPolarHBondContact OG-CB 3.16Å; S606-A608 PolarHBondContact OG-N 3.15Å; S606-A608 VanDerWaalsContact OG-N 3.1Å; A608-I610 PolarHBondContact O-N 2.97Å; A608-Q611 WeakPolarHBondContact O-CB 3.47Å; A608-Q611 PolarHBondContact O-N 3.38Å; A608-Q611 VanDerWaalsContact O-N 3.15Å; A608-Q611 PolarHBondContact O-OE1 3.05Å; A608-N614 WeakPolarHBondContact O-CB 3.36Å
609G78.8Confident88.1Confident0 Ų045.3 Ų45.30%021%0.21CC..G310 helixtrans-64-17.2173.100000114.8L600 L607 Q611L600-G609 WeakPolarHBondContact CD2-O 3.33Å; L607-G609 PolarHBondContact O-N 3.27Å; G609-Q611 VanDerWaalsContact C-N 3.34Å
610I84.5Confident87.7Confident54 Ų5449.5 Ų49.528%0.27723%0.23SC..G310 helixtrans-77-21.7175.8-52.8174.4000111.6K597 A601 L607 A608K597-I610 HydrophobicContact CB-CG2 3.96Å; K597-I610 HydrophobicContact CD-CG2 3.83Å; K597-I610 HydrophobicContact CG-CG2 3.87Å; A601-I610 HydrophobicContact CB-CD1 3.81Å; A601-I610 HydrophobicContact CB-CG1 3.85Å; L607-I610 HydrophobicContact CD2-CD1 3.97Å; L607-I610 WeakPolarHBondContact O-CB 3.23Å; L607-I610 WeakPolarHBondContact O-CG1 3.49Å; L607-I610 PolarHBondContact O-N 3.04Å; L607-I610 VanDerWaalsContact O-N 3.08Å; A608-I610 PolarHBondContact O-N 2.97Å
611Q84.8Confident87.5Confident88 Ų8849.5 Ų49.541%0.41123%0.23SC..SBendtrans-70.2144.7-173.7-63.2170.4-27.100112.1A608 G609 E613 N614 L615A608-Q611 WeakPolarHBondContact O-CB 3.47Å; A608-Q611 PolarHBondContact O-N 3.38Å; A608-Q611 VanDerWaalsContact O-N 3.15Å; A608-Q611 PolarHBondContact O-OE1 3.05Å; G609-Q611 VanDerWaalsContact C-N 3.34Å; Q611-E613 VanDerWaalsContact C-N 3.31Å; Q611-E613 HydrophobicContact CB-CG 4.45Å; Q611-E613 PolarHBondContact O-N 3.48Å; Q611-N614 HydrophobicContact CB-CB 4.4Å; Q611-N614 CarbonylContact O-C 3.51Å; Q611-N614 PolarHBondContact O-N 3.33Å; Q611-N614 PolarHBondContact OE1-ND2 3.21Å; Q611-L615 PolarHBondContact O-N 2.86Å
612R82.8Confident87.4Confident230 Ų23049.5 Ų49.587%0.86823%0.23SC*.THydrogen-bonded Turntrans-65.8-33.5-170.4-168.9175.3180122.81.9112.5N614R612-N614 VanDerWaalsContact C-N 3.3Å
613E85.8Confident87.3Confident137 Ų13752 Ų5264%0.6425%0.247SC*.THydrogen-bonded Turntrans-71.2-20.4174.261.8-93.8-133.300114Q611Q611-E613 VanDerWaalsContact C-N 3.31Å; Q611-E613 HydrophobicContact CB-CG 4.45Å; Q611-E613 PolarHBondContact O-N 3.48Å
614N86.1Confident87.2Confident25 Ų2556.7 Ų56.713%0.13427%0.272CS..THydrogen-bonded Turntrans-109.1-13.6-175.2-73-41.4000113.3F498 A608 Q611 R612 Q616 K617 A618F498-N614 HydrophobicContact CE1-CB 4.12Å; F498-N614 HydrophobicContact CZ-CB 4.08Å; A608-N614 WeakPolarHBondContact O-CB 3.36Å; Q611-N614 HydrophobicContact CB-CB 4.4Å; Q611-N614 CarbonylContact O-C 3.51Å; Q611-N614 PolarHBondContact O-N 3.33Å; Q611-N614 PolarHBondContact OE1-ND2 3.21Å; R612-N614 VanDerWaalsContact C-N 3.3Å; N614-Q616 VanDerWaalsContact C-N 3.27Å; N614-Q616 PolarHBondContact O-N 3.15Å; N614-Q616 VanDerWaalsContact O-N 3.16Å; N614-K617 WeakPolarHBondContact O-CB 3.23Å; N614-K617 PolarHBondContact O-N 3.39Å; N614-K617 PolarHBondContact OD1-NZ 3.08Å; N614-A618 PolarHBondContact O-N 3.05Å
615L87.7Confident87.3Confident63 Ų6359.7 Ų59.733%0.3329%0.287SS..Hα-helixtrans-50-40.8-179.7178.558.9000113.7L600 Q611 A618 M619 L638L600-L615 HydrophobicContact CD2-CD1 3.47Å; L600-L615 VanDerWaalsContact CD2-CD1 3.47Å; Q611-L615 PolarHBondContact O-N 2.86Å; L615-A618 WeakPolarHBondContact O-CB 3.38Å; L615-A618 PolarHBondContact O-N 3.11Å; L615-M619 HydrophobicContact CD1-CG 4.21Å; L615-M619 WeakPolarHBondContact O-CG 3.33Å; L615-M619 PolarHBondContact O-N 2.77Å; L615-L638 HydrophobicContact CD1-CD1 3.9Å
616Q87.8Confident87.5Confident149 Ų14960.3 Ų60.370%0.69629%0.289SS*.Hα-helixtrans-64.5-44.5178.4-173.363.123.600112N614 A618 M619 E620N614-Q616 VanDerWaalsContact C-N 3.27Å; N614-Q616 PolarHBondContact O-N 3.15Å; N614-Q616 VanDerWaalsContact O-N 3.16Å; Q616-A618 VanDerWaalsContact C-N 3.32Å; Q616-A618 PolarHBondContact O-N 3.21Å; Q616-M619 PolarHBondContact O-N 3.3Å; Q616-E620 PolarHBondContact O-N 3.4Å
617K88.2Confident87.8Confident80 Ų8061.7 Ų61.735%0.34830%0.299SS..Hα-helixtrans-66.1-36.5176-53.2170-166.1158.70111.1F498 W503 N614 E620 L621F498-K617 HydrophobicContact CE2-CB 4.32Å; F498-K617 HydrophobicContact CZ-CB 4.35Å; W503-K617 HydrophobicContact CD2-CB 4.33Å; W503-K617 VanDerWaalsContact CH2-O 3.27Å; W503-K617 WeakPolarHBondContact CH2-O 2.98Å; W503-K617 HydrophobicContact CZ2-CB 4.04Å; N614-K617 WeakPolarHBondContact O-CB 3.23Å; N614-K617 PolarHBondContact O-N 3.39Å; N614-K617 PolarHBondContact OD1-NZ 3.08Å; K617-E620 PolarHBondContact O-N 3.46Å; K617-L621 PolarHBondContact O-N 2.84Å
618A89.6Confident88.3Confident0 Ų062.2 Ų62.20%031%0.307CS..Hα-helixtrans-64-46.6176.700000111F498 L600 N614 L615 Q616 E620 L621 V622F498-A618 HydrophobicContact CE2-CB 4.11Å; F498-A618 HydrophobicContact CZ-CB 4.03Å; L600-A618 HydrophobicContact CD1-CB 3.82Å; L600-A618 HydrophobicContact CD2-CB 4.03Å; L600-A618 HydrophobicContact CG-CB 4.14Å; N614-A618 PolarHBondContact O-N 3.05Å; L615-A618 WeakPolarHBondContact O-CB 3.38Å; L615-A618 PolarHBondContact O-N 3.11Å; Q616-A618 VanDerWaalsContact C-N 3.32Å; Q616-A618 PolarHBondContact O-N 3.21Å; A618-E620 VanDerWaalsContact C-N 3.33Å; A618-E620 PolarHBondContact O-N 2.87Å; A618-L621 WeakPolarHBondContact O-CB 3.37Å; A618-L621 PolarHBondContact O-N 3.29Å; A618-V622 WeakPolarHBondContact O-CG2 3.48Å; A618-V622 PolarHBondContact O-N 3.01Å
619M91Very high88.8Confident25 Ų2564.7 Ų64.712%0.12332%0.318CS..Hα-helixtrans-66.9-31.4174.7-69-56.6-62.600113.3L600 L615 Q616 S623 K631 I634 L635L600-M619 HydrophobicContact CD1-SD 4.08Å; L615-M619 HydrophobicContact CD1-CG 4.21Å; L615-M619 WeakPolarHBondContact O-CG 3.33Å; L615-M619 PolarHBondContact O-N 2.77Å; Q616-M619 PolarHBondContact O-N 3.3Å; M619-S623 WeakPolarHBondContact O-CB 3.22Å; M619-S623 PolarHBondContact O-N 3.06Å; M619-K631 HydrophobicContact CE-CG 4.06Å; M619-I634 HydrophobicContact CE-CB 4.44Å; M619-I634 HydrophobicContact CE-CG2 4.15Å; M619-I634 HydrophobicContact SD-CB 4.4Å; M619-I634 HydrophobicContact SD-CG2 3.54Å; M619-I634 VanDerWaalsContact SD-CG2 3.54Å; M619-L635 HydrophobicContact CE-CB 4.24Å
620E89.5Confident89.6Confident90 Ų9064.7 Ų64.742%0.42132%0.318SS..Hα-helixtrans-66-44.5170.6-164.4-173.4142.600111.3W503 Q616 K617 A618 V622 S623 I624W503-E620 HydrophobicContact CE3-CG 4.45Å; W503-E620 HydrophobicContact CH2-CB 4.33Å; W503-E620 HydrophobicContact CZ3-CB 3.9Å; W503-E620 VanDerWaalsContact CZ3-CD 3.44Å; W503-E620 HydrophobicContact CZ3-CG 3.8Å; W503-E620 WeakPolarHBondContact CZ3-OE1 3.19Å; Q616-E620 PolarHBondContact O-N 3.4Å; K617-E620 PolarHBondContact O-N 3.46Å; A618-E620 VanDerWaalsContact C-N 3.33Å; A618-E620 PolarHBondContact O-N 2.87Å; E620-V622 VanDerWaalsContact C-N 3.34Å; E620-V622 PolarHBondContact O-N 3.4Å; E620-S623 PolarHBondContact O-N 3.24Å; E620-S623 VanDerWaalsContact O-N 3.17Å; E620-I624 HydrophobicContact CG-CD1 4.08Å; E620-I624 WeakPolarHBondContact O-CG1 3.26Å; E620-I624 PolarHBondContact O-N 2.69Å
621L88.4Confident90.1Very high0 Ų065.5 Ų65.50%032%0.32CS..Hα-helixtrans-57-48.2174-166.4150.8000111.1Y497 F498 W503 L517 K617 A618 S623 I624 N625 Y626Y497-L621 HydrophobicContact CD1-CD1 4.27Å; Y497-L621 HydrophobicContact CE1-CD1 4.16Å; F498-L621 HydrophobicContact CD2-CD1 3.85Å; W503-L621 HydrophobicContact CH2-CB 3.81Å; W503-L621 HydrophobicContact CZ2-CB 4.29Å; W503-L621 HydrophobicContact CZ2-CD1 4.45Å; L517-L621 HydrophobicContact CD1-CD2 3.97Å; L517-L621 HydrophobicContact CD2-CD2 4.06Å; K617-L621 PolarHBondContact O-N 2.84Å; A618-L621 WeakPolarHBondContact O-CB 3.37Å; A618-L621 PolarHBondContact O-N 3.29Å; L621-S623 VanDerWaalsContact C-N 3.29Å; L621-S623 PolarHBondContact O-N 2.89Å; L621-I624 PolarHBondContact O-N 3.07Å; L621-N625 PolarHBondContact O-N 3.23Å; L621-N625 PolarHBondContact O-ND2 3.39Å; L621-Y626 HydrophobicContact CD2-CE2 4.33Å
622V90.9Very high90.6Very high0 Ų065.2 Ų65.20%032%0.321CS..Hα-helixtrans-57-46.9177.3172.20000110.3L600 A603 A618 E620 I624 N625 Y626 K631 I634L600-V622 HydrophobicContact CD1-CG2 3.73Å; A603-V622 HydrophobicContact CB-CG2 3.83Å; A618-V622 WeakPolarHBondContact O-CG2 3.48Å; A618-V622 PolarHBondContact O-N 3.01Å; E620-V622 VanDerWaalsContact C-N 3.34Å; E620-V622 PolarHBondContact O-N 3.4Å; V622-I624 PolarHBondContact O-N 3.5Å; V622-N625 PolarHBondContact O-N 3.15Å; V622-Y626 PolarHBondContact O-N 3.28Å; V622-Y626 VanDerWaalsContact O-N 3.08Å; V622-K631 HydrophobicContact CG1-CB 3.94Å; V622-K631 HydrophobicContact CG1-CG 4.36Å; V622-I634 HydrophobicContact CG1-CD1 4.04Å; V622-I634 HydrophobicContact CG2-CD1 4.06Å
623S92.1Very high91.2Very high55 Ų5554.3 Ų54.339%0.38528%0.28SS..Hα-helixtrans-68-11.4-178-165.80000115.5M619 E620 L621 K631M619-S623 WeakPolarHBondContact O-CB 3.22Å; M619-S623 PolarHBondContact O-N 3.06Å; E620-S623 PolarHBondContact O-N 3.24Å; E620-S623 VanDerWaalsContact O-N 3.17Å; L621-S623 VanDerWaalsContact C-N 3.29Å; L621-S623 PolarHBondContact O-N 2.89Å; S623-K631 WeakPolarHBondContact OG-CE 3.49Å; S623-K631 PolarHBondContact OG-NZ 3.23Å
624I90.4Very high91.6Very high99 Ų9947.8 Ų47.851%0.50825%0.25SC..Hα-helixtrans-100.6-31.2178.7-68.4165.6000111.5E620 L621 V622E620-I624 HydrophobicContact CG-CD1 4.08Å; E620-I624 WeakPolarHBondContact O-CG1 3.26Å; E620-I624 PolarHBondContact O-N 2.69Å; L621-I624 PolarHBondContact O-N 3.07Å; V622-I624 PolarHBondContact O-N 3.5Å
625N89.5Confident92Very high63 Ų6350.9 Ų50.934%0.33727%0.266SS..Hα-helixtrans-112.7-11.7-168-59.6-87.5000114.6L517 L621 V622L517-N625 HydrophobicContact CD1-CB 3.77Å; L621-N625 PolarHBondContact O-N 3.23Å; L621-N625 PolarHBondContact O-ND2 3.39Å; V622-N625 PolarHBondContact O-N 3.15Å
626Y93.7Very high92.3Very high26 Ų2650.4 Ų50.410%0.10226%0.26CS..SBendtrans-135.1166.9-173.4-61.1-86.4000112.6L517 L518 E520 I523 A603 L621 V622 L630L517-Y626 HydrophobicContact CD1-CE2 4.44Å; L518-Y626 WeakPolarHBondContact O-CE1 3.24Å; L518-Y626 PolarHBondContact O-OH 3.21Å; L518-Y626 VanDerWaalsContact O-OH 3.09Å; E520-Y626 HydrophobicContact CB-CD1 3.86Å; E520-Y626 HydrophobicContact CB-CE1 4.27Å; E520-Y626 HydrophobicContact CG-CD1 3.84Å; I523-Y626 HydrophobicContact CD1-CD1 4.41Å; I523-Y626 HydrophobicContact CD1-CE1 3.6Å; A603-Y626 HydrophobicContact CB-CD2 4.39Å; A603-Y626 HydrophobicContact CB-CE2 3.92Å; A603-Y626 WeakPolarHBondContact O-CE2 3.5Å; A603-Y626 PolarHBondContact O-OH 3.04Å; L621-Y626 HydrophobicContact CD2-CE2 4.33Å; V622-Y626 PolarHBondContact O-N 3.28Å; V622-Y626 VanDerWaalsContact O-N 3.08Å; Y626-L630 HydrophobicContact CD1-CD2 3.77Å; Y626-L630 HydrophobicContact CE1-CD2 4.39Å; Y626-L630 HydrophobicContact CG-CD2 3.83Å
627S94.7Very high92.5Very high31 Ų3143.4 Ų43.422%0.21723%0.227CC..  trans-60.1155.1178.968.10000114E520 D629 L630 K631E520-S627 VanDerWaalsContact CD-OG 3.25Å; E520-S627 VanDerWaalsContact OE1-CB 3.32Å; E520-S627 WeakPolarHBondContact OE1-CB 3.3Å; E520-S627 PolarHBondContact OE1-OG 2.86Å; E520-S627 WeakPolarHBondContact OE2-CB 3.47Å; E520-S627 PolarHBondContact OE2-N 2.92Å; E520-S627 PolarHBondContact OE2-OG 2.78Å; S627-D629 PolarHBondContact O-N 3.07Å; S627-L630 PolarHBondContact O-N 3.02Å; S627-L630 PolarHBondContact OG-N 3.26Å; S627-K631 PolarHBondContact O-N 2.99Å
628S94.3Very high92.7Very high73 Ų7341.3 Ų41.351%0.5122%0.219SC..Hα-helixtrans-52.2-36.3166.945.30000112.2K631 N632S628-K631 PolarHBondContact O-N 3.14Å; S628-N632 WeakPolarHBondContact O-CB 3.43Å; S628-N632 PolarHBondContact O-N 3.43Å; S628-N632 PolarHBondContact O-ND2 3Å; S628-N632 PolarHBondContact O-OD1 3.47Å
629D94.8Very high92.7Very high71 Ų7143.9 Ų43.938%0.3824%0.235SC..Hα-helixtrans-65.5-44.7-175.8-54-5.6000111W524 S627 N632 L633 R657W524-D629 HydrophobicContact CH2-CB 4.18Å; W524-D629 HydrophobicContact CZ2-CB 3.8Å; S627-D629 PolarHBondContact O-N 3.07Å; D629-N632 PolarHBondContact O-N 2.94Å; D629-L633 WeakPolarHBondContact O-CB 3.3Å; D629-L633 PolarHBondContact O-N 2.97Å; D629-R657 IonicContact OD2-NH2 2.71Å; D629-R657 PolarHBondContact OD2-NH2 2.83Å
630L95.1Very high92.1Very high0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-67.3-43.9177.8-174.664.6000110.7E520 I523 W524 I527 V599 A603 Y626 S627 N632 L633 I634E520-L630 HydrophobicContact CG-CD2 4.21Å; I523-L630 HydrophobicContact CD1-CD2 4.25Å; I523-L630 HydrophobicContact CG2-CD1 3.99Å; I523-L630 HydrophobicContact CG2-CD2 4.3Å; W524-L630 HydrophobicContact CH2-CB 4.37Å; W524-L630 HydrophobicContact CH2-CD1 4.24Å; W524-L630 HydrophobicContact CZ2-CB 3.83Å; W524-L630 HydrophobicContact CZ2-CD1 4.2Å; I527-L630 HydrophobicContact CD1-CD1 3.67Å; V599-L630 HydrophobicContact CG1-CD1 3.71Å; A603-L630 HydrophobicContact CB-CD2 4.37Å; Y626-L630 HydrophobicContact CD1-CD2 3.77Å; Y626-L630 HydrophobicContact CE1-CD2 4.39Å; Y626-L630 HydrophobicContact CG-CD2 3.83Å; S627-L630 PolarHBondContact O-N 3.02Å; S627-L630 PolarHBondContact OG-N 3.26Å; L630-N632 VanDerWaalsContact C-N 3.33Å; L630-N632 PolarHBondContact O-N 3.44Å; L630-L633 PolarHBondContact O-N 3.44Å; L630-I634 HydrophobicContact CD1-CD1 4.31Å; L630-I634 HydrophobicContact CG-CD1 3.96Å; L630-I634 VanDerWaalsContact O-CG1 3.29Å; L630-I634 WeakPolarHBondContact O-CG1 3.41Å; L630-I634 PolarHBondContact O-N 3.01Å
631K95.1Very high91.5Very high71 Ų7149.9 Ų49.931%0.30927%0.268SS..Hα-helixtrans-57.3-45.9174.6-175.1-174178.1179.30111.7M619 V622 S623 S627 S628 I634 L635M619-K631 HydrophobicContact CE-CG 4.06Å; V622-K631 HydrophobicContact CG1-CB 3.94Å; V622-K631 HydrophobicContact CG1-CG 4.36Å; S623-K631 WeakPolarHBondContact OG-CE 3.49Å; S623-K631 PolarHBondContact OG-NZ 3.23Å; S627-K631 PolarHBondContact O-N 2.99Å; S628-K631 PolarHBondContact O-N 3.14Å; K631-I634 PolarHBondContact O-N 3.07Å; K631-L635 WeakPolarHBondContact O-CB 3.38Å; K631-L635 PolarHBondContact O-N 2.86Å
632N94.9Very high90.9Very high82 Ų8256.3 Ų56.344%0.43931%0.313SS..Hα-helixtrans-68-39.9-178.8-71.7-17.5000111.7S628 D629 L630 L635 Y636S628-N632 WeakPolarHBondContact O-CB 3.43Å; S628-N632 PolarHBondContact O-N 3.43Å; S628-N632 PolarHBondContact O-ND2 3Å; S628-N632 PolarHBondContact O-OD1 3.47Å; D629-N632 PolarHBondContact O-N 2.94Å; L630-N632 VanDerWaalsContact C-N 3.33Å; L630-N632 PolarHBondContact O-N 3.44Å; N632-L635 PolarHBondContact O-N 3.18Å; N632-Y636 VanDerWaalsContact O-CB 3.25Å; N632-Y636 WeakPolarHBondContact O-CB 3.47Å; N632-Y636 PolarHBondContact O-N 2.78Å
633L95.2Very high90.6Very high1 Ų164.7 Ų64.71%0.00534%0.344CS..Hα-helixtrans-64.2-46.6174.2177.263000111.9W524 I527 D629 L630 L635 Y636 L637 I650 M653 I654W524-L633 HydrophobicContact CH2-CB 4.48Å; W524-L633 HydrophobicContact CH2-CD2 4.09Å; W524-L633 HydrophobicContact CZ3-CD2 3.65Å; I527-L633 HydrophobicContact CD1-CD2 3.94Å; I527-L633 HydrophobicContact CG1-CD2 4.46Å; I527-L633 HydrophobicContact CG2-CD2 3.82Å; D629-L633 WeakPolarHBondContact O-CB 3.3Å; D629-L633 PolarHBondContact O-N 2.97Å; L630-L633 PolarHBondContact O-N 3.44Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 PolarHBondContact O-N 3.43Å; L633-Y636 PolarHBondContact O-N 2.86Å; L633-L637 HydrophobicContact CD1-CD1 3.89Å; L633-L637 HydrophobicContact CD1-CG 4.03Å; L633-L637 HydrophobicContact CG-CD1 3.97Å; L633-L637 HydrophobicContact CG-CG 4.46Å; L633-L637 WeakPolarHBondContact O-CB 3.23Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3.4Å; L633-I650 HydrophobicContact CD1-CB 3.9Å; L633-I650 HydrophobicContact CD1-CD1 4.39Å; L633-I650 HydrophobicContact CD1-CG2 3.61Å; L633-M653 HydrophobicContact CB-SD 4.09Å; L633-M653 HydrophobicContact CD1-SD 3.93Å; L633-I654 HydrophobicContact CD2-CG2 4.11Å
634I95Very high90.2Very high0 Ų067.4 Ų67.40%035%0.354CS..Hα-helixtrans-60.5-46.3177.5-66.7164.8000110V599 L600 M619 V622 L630 K631 Y636 L637 L638V599-I634 HydrophobicContact CB-CG1 4.31Å; V599-I634 HydrophobicContact CG1-CD1 3.91Å; V599-I634 HydrophobicContact CG1-CG1 3.63Å; L600-I634 HydrophobicContact CB-CG2 4.13Å; L600-I634 HydrophobicContact CD1-CG2 4.27Å; M619-I634 HydrophobicContact CE-CB 4.44Å; M619-I634 HydrophobicContact CE-CG2 4.15Å; M619-I634 HydrophobicContact SD-CB 4.4Å; M619-I634 HydrophobicContact SD-CG2 3.54Å; M619-I634 VanDerWaalsContact SD-CG2 3.54Å; V622-I634 HydrophobicContact CG1-CD1 4.04Å; V622-I634 HydrophobicContact CG2-CD1 4.06Å; L630-I634 HydrophobicContact CD1-CD1 4.31Å; L630-I634 HydrophobicContact CG-CD1 3.96Å; L630-I634 VanDerWaalsContact O-CG1 3.29Å; L630-I634 WeakPolarHBondContact O-CG1 3.41Å; L630-I634 PolarHBondContact O-N 3.01Å; K631-I634 PolarHBondContact O-N 3.07Å; I634-Y636 PolarHBondContact O-N 3.4Å; I634-L637 PolarHBondContact O-N 3.47Å; I634-L638 HydrophobicContact CG2-CD1 3.61Å; I634-L638 HydrophobicContact CG2-CG 4.19Å; I634-L638 WeakPolarHBondContact O-CB 3.44Å; I634-L638 WeakPolarHBondContact O-CG 3.34Å; I634-L638 PolarHBondContact O-N 2.9Å
635L93.8Very high90.2Very high90 Ų9063.5 Ų63.547%0.47133%0.333SS..Hα-helixtrans-60.5-43.9176.8-176.364.4000111.6M619 K631 N632 L633 L637 L638 T639M619-L635 HydrophobicContact CE-CB 4.24Å; K631-L635 WeakPolarHBondContact O-CB 3.38Å; K631-L635 PolarHBondContact O-N 2.86Å; N632-L635 PolarHBondContact O-N 3.18Å; L633-L635 VanDerWaalsContact C-N 3.34Å; L633-L635 PolarHBondContact O-N 3.43Å; L635-L637 PolarHBondContact O-N 2.88Å; L635-L638 PolarHBondContact O-N 3.47Å; L635-T639 WeakPolarHBondContact CD1-OG1 3.37Å; L635-T639 WeakPolarHBondContact O-CB 3.43Å; L635-T639 PolarHBondContact O-N 2.93Å; L635-T639 PolarHBondContact O-OG1 3.47Å
636Y93.6Very high90.3Very high53 Ų5362.7 Ų62.721%0.20833%0.332CS..Hα-helixtrans-63-38177.7177.5-90.4000112.9N632 L633 I634 R645 D649 I650 M653N632-Y636 VanDerWaalsContact O-CB 3.25Å; N632-Y636 WeakPolarHBondContact O-CB 3.47Å; N632-Y636 PolarHBondContact O-N 2.78Å; L633-Y636 PolarHBondContact O-N 2.86Å; I634-Y636 PolarHBondContact O-N 3.4Å; Y636-R645 PolarHBondContact O-NH1 2.94Å; Y636-R645 WeakPolarHBondContact OH-CG 3.42Å; Y636-D649 VanDerWaalsContact OH-CB 3.23Å; Y636-D649 WeakPolarHBondContact OH-CB 3.32Å; Y636-I650 HydrophobicContact CD1-CG2 3.58Å; Y636-I650 HydrophobicContact CE1-CG2 3.52Å; Y636-M653 HydrophobicContact CD2-CE 4.14Å; Y636-M653 HydrophobicContact CG-CE 3.97Å
637L93.1Very high90.3Very high1 Ų161.7 Ų61.71%0.00533%0.328CS..Hα-helixtrans-76.1-37.5178.4-69.8173.9000112.7L592 L595 L633 I634 L635 R645 I650L592-L637 HydrophobicContact CB-CD2 4.09Å; L592-L637 HydrophobicContact CD2-CD2 4.15Å; L595-L637 HydrophobicContact CD2-CD1 4.17Å; L595-L637 HydrophobicContact CG-CD1 4.12Å; L633-L637 HydrophobicContact CD1-CD1 3.89Å; L633-L637 HydrophobicContact CD1-CG 4.03Å; L633-L637 HydrophobicContact CG-CD1 3.97Å; L633-L637 HydrophobicContact CG-CG 4.46Å; L633-L637 WeakPolarHBondContact O-CB 3.23Å; L633-L637 WeakPolarHBondContact O-CG 3.37Å; L633-L637 PolarHBondContact O-N 3.4Å; I634-L637 PolarHBondContact O-N 3.47Å; L635-L637 PolarHBondContact O-N 2.88Å; L637-R645 VanDerWaalsContact C-NH1 3.32Å; L637-R645 PolarHBondContact O-NH1 3.23Å; L637-I650 HydrophobicContact CD2-CG2 4.09Å
638L92.1Very high90.2Very high36 Ų3663.1 Ų63.119%0.18833%0.334CS..Hα-helixtrans-87.1-21.3-176.9-66.3-177.3000114.8V593 K597 L600 L615 I634 L635V593-L638 HydrophobicContact CG1-CD2 4.35Å; K597-L638 HydrophobicContact CG-CD2 3.79Å; L600-L638 HydrophobicContact CD2-CD1 3.81Å; L615-L638 HydrophobicContact CD1-CD1 3.9Å; I634-L638 HydrophobicContact CG2-CD1 3.61Å; I634-L638 HydrophobicContact CG2-CG 4.19Å; I634-L638 WeakPolarHBondContact O-CB 3.44Å; I634-L638 WeakPolarHBondContact O-CG 3.34Å; I634-L638 PolarHBondContact O-N 2.9Å; L635-L638 PolarHBondContact O-N 3.47Å
639T89Confident90.1Very high54 Ų5462 Ų6233%0.33132%0.322SS..SBendtrans-77.6127176.7-55.30000110.4L635 Q641 R645L635-T639 WeakPolarHBondContact CD1-OG1 3.37Å; L635-T639 WeakPolarHBondContact O-CB 3.43Å; L635-T639 PolarHBondContact O-N 2.93Å; L635-T639 PolarHBondContact O-OG1 3.47Å; T639-Q641 PolarHBondContact O-N 3.42Å; T639-R645 PolarHBondContact O-NH1 2.97Å; T639-R645 VanDerWaalsContact O-NH1 3.11Å
640D78.6Confident89.9Confident144 Ų14458.7 Ų58.777%0.7730%0.304SS*.  trans-65.1130.7170-76.4-42.3000110.6
641Q76.7Confident89.7Confident98 Ų9862.6 Ų62.646%0.45832%0.323SS..  trans-115.2142.3-179.2-66.4-63.4-30.900110T639 R643 R645T639-Q641 PolarHBondContact O-N 3.42Å; Q641-R643 PolarHBondContact O-N 2.95Å; Q641-R645 HydrophobicContact CB-CG 4.34Å; Q641-R645 HydrophobicContact CG-CG 4.35Å
642S75.7Confident89.5Confident135 Ų13564.9 Ų64.994%0.94435%0.346SS*.SBendtrans-68.2-18.9176.1550000113.5
643R84.5Confident89.3Confident175 Ų17564.1 Ų64.166%0.6634%0.34SS*.SBendtrans-102.9134.7173.5-178.2179.9178.5-100.93.1109.9Q641 R645 D649Q641-R643 PolarHBondContact O-N 2.95Å; R643-R645 PolarHBondContact O-N 3.44Å; R643-D649 IonicContact NH1-OD2 3.38Å
644L84.4Confident89.2Confident113 Ų11364.1 Ų64.159%0.59234%0.34SS*.PPolyproline II helixtrans-57.7126.1169.5-63.3175.6000110.2Q589Q589-L644 HydrophobicContact CG-CD2 3.68Å
645R91.2Very high89Confident17 Ų1765.4 Ų65.46%0.06435%0.354CS..PPolyproline II helixtrans-90.2149.3-179.8-61.3169.3-71.6-176.1-1.4111.1Q589 L592 Y636 L637 T639 Q641 R643 D649Q589-R645 PolarHBondContact NE2-O 2.87Å; L592-R645 HydrophobicContact CD1-CB 3.68Å; Y636-R645 PolarHBondContact O-NH1 2.94Å; Y636-R645 WeakPolarHBondContact OH-CG 3.42Å; L637-R645 VanDerWaalsContact C-NH1 3.32Å; L637-R645 PolarHBondContact O-NH1 3.23Å; T639-R645 PolarHBondContact O-NH1 2.97Å; T639-R645 VanDerWaalsContact O-NH1 3.11Å; Q641-R645 HydrophobicContact CB-CG 4.34Å; Q641-R645 HydrophobicContact CG-CG 4.35Å; R643-R645 PolarHBondContact O-N 3.44Å; R645-D649 WeakPolarHBondContact CA-OD2 3.18Å
646S91.8Very high88.9Confident45 Ų4564.7 Ų64.732%0.31536%0.36SS..  trans-106.2155170-169.60000111.3N648 D649S646-N648 PolarHBondContact O-N 2.74Å; S646-N648 PolarHBondContact OG-N 2.67Å; S646-N648 PolarHBondContact OG-ND2 3.09Å; S646-N648 VanDerWaalsContact OG-ND2 3.13Å; S646-D649 PolarHBondContact N-OD2 2.73Å; S646-D649 WeakPolarHBondContact O-CB 3.36Å; S646-D649 PolarHBondContact O-N 3.44Å
647V92.3Very high88.9Confident5 Ų565.9 Ų65.93%0.0336%0.364CS..G310 helixtrans-59.6-24.3165.9-177.60000111.4S531 L534 R535 H538 L592 D649 I650S531-V647 WeakPolarHBondContact O-CG1 3.39Å; L534-V647 HydrophobicContact CB-CG1 4.25Å; L534-V647 HydrophobicContact CB-CG2 3.75Å; R535-V647 HydrophobicContact CB-CB 4.42Å; R535-V647 HydrophobicContact CB-CG1 3.88Å; H538-V647 VanDerWaalsContact ND1-CG2 3.28Å; H538-V647 WeakPolarHBondContact ND1-CG2 3.46Å; L592-V647 HydrophobicContact CD2-CG2 3.83Å; V647-D649 VanDerWaalsContact C-N 3.3Å; V647-D649 PolarHBondContact O-N 3.38Å; V647-I650 WeakPolarHBondContact O-CG1 3.48Å
648N92.9Very high89Confident62 Ų6269.2 Ų69.233%0.33238%0.379SS..G310 helixtrans-72-22.5173.7-55.2-69.8000112.6R535 S646 I650 M651R535-N648 PolarHBondContact NE-OD1 3.04Å; S646-N648 PolarHBondContact O-N 2.74Å; S646-N648 PolarHBondContact OG-N 2.67Å; S646-N648 PolarHBondContact OG-ND2 3.09Å; S646-N648 VanDerWaalsContact OG-ND2 3.13Å; N648-I650 VanDerWaalsContact C-N 3.27Å; N648-I650 PolarHBondContact O-N 3.22Å; N648-M651 HydrophobicContact CB-SD 4.11Å; N648-M651 VanDerWaalsContact O-CB 3.25Å; N648-M651 WeakPolarHBondContact O-CB 3.43Å; N648-M651 WeakPolarHBondContact O-CG 3.49Å; N648-M651 PolarHBondContact O-N 3.5Å; N648-M651 VanDerWaalsContact O-N 3.09Å
649D92.1Very high89Confident50 Ų5075.7 Ų75.727%0.26740%0.402SS..G310 helixtrans-70.7-22.3-177.1-62.8-19.4000112.5Y636 R643 R645 S646 V647 P652Y636-D649 VanDerWaalsContact OH-CB 3.23Å; Y636-D649 WeakPolarHBondContact OH-CB 3.32Å; R643-D649 IonicContact NH1-OD2 3.38Å; R645-D649 WeakPolarHBondContact CA-OD2 3.18Å; S646-D649 PolarHBondContact N-OD2 2.73Å; S646-D649 WeakPolarHBondContact O-CB 3.36Å; S646-D649 PolarHBondContact O-N 3.44Å; V647-D649 VanDerWaalsContact C-N 3.3Å; V647-D649 PolarHBondContact O-N 3.38Å; D649-P652 WeakPolarHBondContact O-CD 3.39Å
650I91.9Very high89.2Confident0 Ų077.6 Ų77.60%041%0.414CS..G310 helixtrans-84.1-8.8172.960.5166.6000113.5L633 Y636 L637 V647 N648 P652 M653 I654L633-I650 HydrophobicContact CD1-CB 3.9Å; L633-I650 HydrophobicContact CD1-CD1 4.39Å; L633-I650 HydrophobicContact CD1-CG2 3.61Å; Y636-I650 HydrophobicContact CD1-CG2 3.58Å; Y636-I650 HydrophobicContact CE1-CG2 3.52Å; L637-I650 HydrophobicContact CD2-CG2 4.09Å; V647-I650 WeakPolarHBondContact O-CG1 3.48Å; N648-I650 VanDerWaalsContact C-N 3.27Å; N648-I650 PolarHBondContact O-N 3.22Å; I650-P652 VanDerWaalsContact C-CD 3.41Å; I650-P652 VanDerWaalsContact C-N 3.34Å; I650-M653 WeakPolarHBondContact O-CB 3.43Å; I650-M653 PolarHBondContact O-N 3.12Å; I650-I654 HydrophobicContact CD1-CD1 4.04Å; I650-I654 HydrophobicContact CG1-CD1 4.19Å; I650-I654 PolarHBondContact O-N 2.94Å
651M89.3Confident89.7Confident82 Ų8272.8 Ų72.840%0.40439%0.387SS..Hα-helixtrans-54.6-37.3-178.2-73-178.564.600114.6N648 M653 I654 G655N648-M651 HydrophobicContact CB-SD 4.11Å; N648-M651 VanDerWaalsContact O-CB 3.25Å; N648-M651 WeakPolarHBondContact O-CB 3.43Å; N648-M651 WeakPolarHBondContact O-CG 3.49Å; N648-M651 PolarHBondContact O-N 3.5Å; N648-M651 VanDerWaalsContact O-N 3.09Å; M651-M653 PolarHBondContact O-N 2.69Å; M651-I654 PolarHBondContact O-N 3.12Å; M651-G655 WeakPolarHBondContact O-CA 3.36Å; M651-G655 PolarHBondContact O-N 3.07Å
652P91.4Very high90.4Very high119 Ų11972.8 Ų72.877%0.77339%0.39SS*.Hα-helixtrans-60.4-28.8175.1-25.636.4000114D649 I650D649-P652 WeakPolarHBondContact O-CD 3.39Å; I650-P652 VanDerWaalsContact C-CD 3.41Å; I650-P652 VanDerWaalsContact C-N 3.34Å
653M90.1Very high91.1Very high66 Ų6670.2 Ų70.233%0.32537%0.365SS..Hα-helixtrans-82.8-27.6179.9-54.7179.8-171.200112.6L633 Y636 I650 M651L633-M653 HydrophobicContact CB-SD 4.09Å; L633-M653 HydrophobicContact CD1-SD 3.93Å; Y636-M653 HydrophobicContact CD2-CE 4.14Å; Y636-M653 HydrophobicContact CG-CE 3.97Å; I650-M653 WeakPolarHBondContact O-CB 3.43Å; I650-M653 PolarHBondContact O-N 3.12Å; M651-M653 PolarHBondContact O-N 2.69Å
654I93.4Very high91.3Very high2 Ų264.1 Ų64.11%0.0135%0.352CS..Hα-helixtrans-113.5-10.6-172.567.7175000114.3W524 I527 S531 L633 I650 M651 A656 R657 F658W524-I654 HydrophobicContact CE3-CG2 4.39Å; W524-I654 HydrophobicContact CZ3-CG2 3.84Å; I527-I654 HydrophobicContact CG2-CG2 3.86Å; S531-I654 WeakPolarHBondContact OG-CD1 3.27Å; L633-I654 HydrophobicContact CD2-CG2 4.11Å; I650-I654 HydrophobicContact CD1-CD1 4.04Å; I650-I654 HydrophobicContact CG1-CD1 4.19Å; I650-I654 PolarHBondContact O-N 2.94Å; M651-I654 PolarHBondContact O-N 3.12Å; I654-A656 PolarHBondContact O-N 3.2Å; I654-R657 WeakPolarHBondContact O-CA 3.39Å; I654-R657 WeakPolarHBondContact O-CB 3.3Å; I654-R657 PolarHBondContact O-N 2.7Å; I654-F658 HydrophobicContact CD1-CE2 3.68Å; I654-F658 HydrophobicContact CD1-CZ 4.44Å; I654-F658 HydrophobicContact CG1-CD2 4.33Å; I654-F658 HydrophobicContact CG1-CE2 3.87Å; I654-F658 PolarHBondContact O-N 3.47Å
655G91.6Very high91.4Very high27 Ų2761.3 Ų61.328%0.27834%0.342SS..Hα-helixtrans-57-44.1-170.800000113.9M651 R657 F658M651-G655 WeakPolarHBondContact O-CA 3.36Å; M651-G655 PolarHBondContact O-N 3.07Å; G655-R657 VanDerWaalsContact C-N 3.27Å; G655-R657 PolarHBondContact O-N 2.77Å; G655-F658 WeakPolarHBondContact O-CB 3.21Å; G655-F658 PolarHBondContact O-N 2.72Å
656A91.9Very high91.3Very high74 Ų7465.3 Ų65.361%0.61236%0.361SS*.Hα-helixtrans-64.2-31.4175.700000112.9I654 F658 Y659I654-A656 PolarHBondContact O-N 3.2Å; A656-F658 VanDerWaalsContact C-N 3.31Å; A656-F658 PolarHBondContact O-N 2.8Å; A656-Y659 PolarHBondContact O-N 3.35Å
657R93.6Very high91.1Very high78 Ų7867.7 Ų67.729%0.29437%0.369SS..Hα-helixtrans-73.7-21.4-179.4-48.2-64.9-178.3150.82.3112.4W524 V528 D629 I654 G655 Y659 T660 Q661W524-R657 HydrophobicContact CD2-CG 4.16Å; W524-R657 HydrophobicContact CE3-CG 4.22Å; W524-R657 HydrophobicContact CG-CG 4.31Å; V528-R657 HydrophobicContact CG2-CB 3.96Å; D629-R657 IonicContact OD2-NH2 2.71Å; D629-R657 PolarHBondContact OD2-NH2 2.83Å; I654-R657 WeakPolarHBondContact O-CA 3.39Å; I654-R657 WeakPolarHBondContact O-CB 3.3Å; I654-R657 PolarHBondContact O-N 2.7Å; G655-R657 VanDerWaalsContact C-N 3.27Å; G655-R657 PolarHBondContact O-N 2.77Å; R657-Y659 VanDerWaalsContact C-N 3.31Å; R657-Y659 PolarHBondContact O-N 2.84Å; R657-T660 PolarHBondContact O-N 3.09Å; R657-Q661 PolarHBondContact O-N 3.05Å; R657-Q661 VanDerWaalsContact O-N 3.13Å
658F93.6Very high90.8Very high71 Ų7172 Ų7231%0.31139%0.385SS..Hα-helixtrans-61.6-37.5172.1-89-89.3000112.2V528 I654 G655 A656 Q661 L662V528-F658 HydrophobicContact CG1-CD1 3.57Å; V528-F658 HydrophobicContact CG1-CD2 4.24Å; V528-F658 HydrophobicContact CG1-CE1 3.6Å; V528-F658 HydrophobicContact CG1-CE2 4.27Å; V528-F658 HydrophobicContact CG1-CG 3.91Å; V528-F658 HydrophobicContact CG1-CZ 3.95Å; V528-F658 HydrophobicContact CG2-CD2 4.47Å; I654-F658 HydrophobicContact CD1-CE2 3.68Å; I654-F658 HydrophobicContact CD1-CZ 4.44Å; I654-F658 HydrophobicContact CG1-CD2 4.33Å; I654-F658 HydrophobicContact CG1-CE2 3.87Å; I654-F658 PolarHBondContact O-N 3.47Å; G655-F658 WeakPolarHBondContact O-CB 3.21Å; G655-F658 PolarHBondContact O-N 2.72Å; A656-F658 VanDerWaalsContact C-N 3.31Å; A656-F658 PolarHBondContact O-N 2.8Å; F658-Q661 PolarHBondContact O-N 3.2Å; F658-L662 WeakPolarHBondContact O-CB 3.43Å; F658-L662 PolarHBondContact O-N 2.82Å
659Y93.6Very high90.5Very high173 Ų17372.8 Ų72.868%0.67839%0.388SS*.Hα-helixtrans-63.4-45.2178-62-63.7000111.6A656 R657 Q661 L662 D663A656-Y659 PolarHBondContact O-N 3.35Å; R657-Y659 VanDerWaalsContact C-N 3.31Å; R657-Y659 PolarHBondContact O-N 2.84Å; Y659-Q661 VanDerWaalsContact C-N 3.29Å; Y659-Q661 PolarHBondContact O-N 3.16Å; Y659-L662 PolarHBondContact O-N 3.31Å; Y659-D663 VanDerWaalsContact O-CB 3.24Å; Y659-D663 WeakPolarHBondContact O-CB 3.25Å; Y659-D663 PolarHBondContact O-N 2.68Å
660T91.5Very high90.2Very high94 Ų9475 Ų7558%0.57740%0.4SS*.Hα-helixtrans-60.4-37.4174.6-44.40000112.3R657 A664R657-T660 PolarHBondContact O-N 3.09Å; T660-A664 WeakPolarHBondContact O-CB 3.44Å; T660-A664 PolarHBondContact O-N 3.49Å
661Q89.6Confident89.9Confident42 Ų4279.4 Ų79.420%0.19643%0.427CS..Hα-helixtrans-76.1-28.9178.6-175.455.882.300113.1A525 V528 R657 F658 Y659 S665A525-Q661 VanDerWaalsContact CB-OE1 3.29Å; V528-Q661 HydrophobicContact CB-CB 4.45Å; V528-Q661 HydrophobicContact CB-CG 4.37Å; V528-Q661 HydrophobicContact CG1-CB 3.87Å; V528-Q661 HydrophobicContact CG1-CG 3.79Å; R657-Q661 PolarHBondContact O-N 3.05Å; R657-Q661 VanDerWaalsContact O-N 3.13Å; F658-Q661 PolarHBondContact O-N 3.2Å; Y659-Q661 VanDerWaalsContact C-N 3.29Å; Y659-Q661 PolarHBondContact O-N 3.16Å; Q661-S665 WeakPolarHBondContact O-CB 3.3Å; Q661-S665 PolarHBondContact O-N 3.13Å
662L91.6Very high89.8Confident99 Ų9978.8 Ų78.852%0.51843%0.425SS..Hα-helixtrans-71.1-51.7172.9176.461.1000110.6F658 Y659 A664 S665 Q666F658-L662 WeakPolarHBondContact O-CB 3.43Å; F658-L662 PolarHBondContact O-N 2.82Å; Y659-L662 PolarHBondContact O-N 3.31Å; L662-A664 PolarHBondContact O-N 2.87Å; L662-S665 CarbonylContact O-C 3.59Å; L662-S665 WeakPolarHBondContact O-CA 3.32Å; L662-S665 VanDerWaalsContact O-CB 3.3Å; L662-S665 WeakPolarHBondContact O-CB 3.36Å; L662-S665 PolarHBondContact O-N 2.71Å; L662-Q666 HydrophobicContact CD1-CG 4.46Å; L662-Q666 WeakPolarHBondContact O-CG 3.34Å; L662-Q666 PolarHBondContact O-N 3.18Å
663D91.4Very high89.5Confident81 Ų8179.1 Ų79.143%0.43342%0.416SS..Hα-helixtrans-55.3-49.6176.1176.756.6000111.6Y659 S665 Q666 M667Y659-D663 VanDerWaalsContact O-CB 3.24Å; Y659-D663 WeakPolarHBondContact O-CB 3.25Å; Y659-D663 PolarHBondContact O-N 2.68Å; D663-S665 PolarHBondContact O-N 3.35Å; D663-S665 VanDerWaalsContact O-N 3.16Å; D663-Q666 PolarHBondContact O-N 2.94Å; D663-M667 PolarHBondContact O-N 3.32Å; D663-M667 WeakPolarHBondContact OD2-CE 3.4Å
664A87.2Confident89.4Confident47 Ų4781 Ų8139%0.38842%0.424SS..Hα-helixtrans-63.9-18.8173.200000114.4T660 L662 R668T660-A664 WeakPolarHBondContact O-CB 3.44Å; T660-A664 PolarHBondContact O-N 3.49Å; L662-A664 PolarHBondContact O-N 2.87Å; A664-R668 WeakPolarHBondContact O-CB 3.48Å
665S86.8Confident88.9Confident53 Ų5381.3 Ų81.337%0.37143%0.425SS..Hα-helixtrans-86.7-30.1171.3-166.30000112.4Q661 L662 D663 N669Q661-S665 WeakPolarHBondContact O-CB 3.3Å; Q661-S665 PolarHBondContact O-N 3.13Å; L662-S665 CarbonylContact O-C 3.59Å; L662-S665 WeakPolarHBondContact O-CA 3.32Å; L662-S665 VanDerWaalsContact O-CB 3.3Å; L662-S665 WeakPolarHBondContact O-CB 3.36Å; L662-S665 PolarHBondContact O-N 2.71Å; D663-S665 PolarHBondContact O-N 3.35Å; D663-S665 VanDerWaalsContact O-N 3.16Å; S665-N669 VanDerWaalsContact O-CG 3.23Å; S665-N669 PolarHBondContact O-N 2.99Å; S665-N669 VanDerWaalsContact O-N 3.15Å; S665-N669 PolarHBondContact O-OD1 3.05Å
666Q89.8Confident88.7Confident101 Ų10184.9 Ų84.947%0.47244%0.438SS..Hα-helixtrans-71.9-53175.7-69.9175.5-70.100110.1L662 D663 R668 N669 D670L662-Q666 HydrophobicContact CD1-CG 4.46Å; L662-Q666 WeakPolarHBondContact O-CG 3.34Å; L662-Q666 PolarHBondContact O-N 3.18Å; D663-Q666 PolarHBondContact O-N 2.94Å; Q666-R668 PolarHBondContact O-N 3.46Å; Q666-N669 WeakPolarHBondContact O-CA 3.49Å; Q666-N669 WeakPolarHBondContact O-CB 2.91Å; Q666-N669 PolarHBondContact O-N 3.41Å; Q666-D670 VanDerWaalsContact O-CG 3.24Å; Q666-D670 PolarHBondContact O-N 2.87Å
667M88.1Confident88.4Confident95 Ų9583.2 Ų83.247%0.46842%0.424SS..Hα-helixtrans-54.4-31.5173-72.9-175-77.100113.3D663 D670 V671D663-M667 PolarHBondContact O-N 3.32Å; D663-M667 WeakPolarHBondContact OD2-CE 3.4Å; M667-D670 WeakPolarHBondContact CA-OD2 2.88Å; M667-V671 WeakPolarHBondContact O-CG2 3.46Å; M667-V671 PolarHBondContact O-N 3.15Å
668R84.5Confident88Confident97 Ų9781.1 Ų81.137%0.36642%0.417SS..Hα-helixtrans-71.4-37.8173.7-178.9175.1-178.5168.77.1112.4A664 Q666 I672A664-R668 WeakPolarHBondContact O-CB 3.48Å; Q666-R668 PolarHBondContact O-N 3.46Å; R668-I672 HydrophobicContact CG-CD1 3.97Å; R668-I672 WeakPolarHBondContact O-CD1 3.34Å; R668-I672 VanDerWaalsContact O-CG1 3.3Å; R668-I672 WeakPolarHBondContact O-CG1 3.47Å; R668-I672 PolarHBondContact O-N 2.9Å
669N86.7Confident87.8Confident77 Ų7781.4 Ų81.441%0.41242%0.419SS..Hα-helixtrans-65.6-45.9175.3-67.9-8.5000110.1S665 Q666 V671 I672 E673S665-N669 VanDerWaalsContact O-CG 3.23Å; S665-N669 PolarHBondContact O-N 2.99Å; S665-N669 VanDerWaalsContact O-N 3.15Å; S665-N669 PolarHBondContact O-OD1 3.05Å; Q666-N669 WeakPolarHBondContact O-CA 3.49Å; Q666-N669 WeakPolarHBondContact O-CB 2.91Å; Q666-N669 PolarHBondContact O-N 3.41Å; N669-V671 VanDerWaalsContact C-N 3.29Å; N669-V671 PolarHBondContact O-N 3.28Å; N669-I672 CarbonylContact O-C 3.55Å; N669-I672 WeakPolarHBondContact O-CA 3.35Å; N669-I672 WeakPolarHBondContact O-CB 3.46Å; N669-I672 PolarHBondContact O-N 3.41Å; N669-E673 PolarHBondContact O-N 3.04Å
670D86.9Confident87.6Confident96 Ų9677.5 Ų77.551%0.51341%0.413SS..Hα-helixtrans-54.5-44.3179.5-52.2-25.1000111.8Q666 M667 I672 E673 E674Q666-D670 VanDerWaalsContact O-CG 3.24Å; Q666-D670 PolarHBondContact O-N 2.87Å; M667-D670 WeakPolarHBondContact CA-OD2 2.88Å; D670-I672 PolarHBondContact O-N 2.99Å; D670-E673 PolarHBondContact O-N 3.06Å; D670-E674 WeakPolarHBondContact O-CB 3.29Å; D670-E674 PolarHBondContact O-N 2.9Å
671V85.4Confident87.5Confident93 Ų9377 Ų7756%0.56440%0.404SS*.Hα-helixtrans-64.7-36.6175.5170.70000112.5M667 N669 D675M667-V671 WeakPolarHBondContact O-CG2 3.46Å; M667-V671 PolarHBondContact O-N 3.15Å; N669-V671 VanDerWaalsContact C-N 3.29Å; N669-V671 PolarHBondContact O-N 3.28Å; V671-D675 PolarHBondContact O-N 3.45Å; V671-D675 VanDerWaalsContact O-N 3.12Å
672I86.2Confident87.5Confident70 Ų7076.3 Ų76.336%0.35940%0.402SS..Hα-helixtrans-73.9-36.1177.6-69.5168.2000111R668 N669 D670 L676R668-I672 HydrophobicContact CG-CD1 3.97Å; R668-I672 WeakPolarHBondContact O-CD1 3.34Å; R668-I672 VanDerWaalsContact O-CG1 3.3Å; R668-I672 WeakPolarHBondContact O-CG1 3.47Å; R668-I672 PolarHBondContact O-N 2.9Å; N669-I672 CarbonylContact O-C 3.55Å; N669-I672 WeakPolarHBondContact O-CA 3.35Å; N669-I672 WeakPolarHBondContact O-CB 3.46Å; N669-I672 PolarHBondContact O-N 3.41Å; D670-I672 PolarHBondContact O-N 2.99Å; I672-L676 WeakPolarHBondContact O-CB 3.47Å; I672-L676 PolarHBondContact O-N 3.28Å
673E86.8Confident87.6Confident125 Ų12572.7 Ų72.758%0.58439%0.388SS*.Hα-helixtrans-69.5-38.1176.6-72.1-177.6-156.500111.6N669 D670 L676 A677N669-E673 PolarHBondContact O-N 3.04Å; D670-E673 PolarHBondContact O-N 3.06Å; E673-L676 PolarHBondContact O-N 2.92Å; E673-A677 WeakPolarHBondContact O-CB 3.49Å; E673-A677 PolarHBondContact O-N 3.46Å
674E86.4Confident87.7Confident107 Ų10772.5 Ų72.550%0.538%0.381SS..Hα-helixtrans-65.9-45.3172.7171.556.8-159.500112.5D670 L676 A677 K678D670-E674 WeakPolarHBondContact O-CB 3.29Å; D670-E674 PolarHBondContact O-N 2.9Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.43Å; E674-A677 PolarHBondContact O-N 2.86Å; E674-K678 WeakPolarHBondContact O-CG 3.25Å; E674-K678 PolarHBondContact O-N 3.36Å; E674-K678 VanDerWaalsContact O-N 3.12Å; E674-K678 WeakPolarHBondContact OE1-CE 3.34Å; E674-K678 IonicContact OE1-NZ 2.66Å
675D84.6Confident88.1Confident7 Ų770.8 Ų70.84%0.03737%0.365CS..Hα-helixtrans-68.2-31.6174.4-90.86.8000112.3M351 A352 L355 V671 K678 E679M351-D675 HydrophobicContact CG-CB 4.21Å; M351-D675 WeakPolarHBondContact CG-OD2 3.42Å; A352-D675 PolarHBondContact N-OD2 3.28Å; L355-D675 HydrophobicContact CD2-CB 4.23Å; V671-D675 PolarHBondContact O-N 3.45Å; V671-D675 VanDerWaalsContact O-N 3.12Å; D675-K678 IonicContact OD1-NZ 2.75Å; D675-K678 PolarHBondContact OD1-NZ 2.89Å; D675-E679 PolarHBondContact O-N 3Å
676L87.6Confident88.5Confident103 Ų10375.4 Ų75.454%0.53938%0.379SS..Hα-helixtrans-67.7-38.5170.5178.861.2000111.8I672 E673 E674 K678 E679 V680I672-L676 WeakPolarHBondContact O-CB 3.47Å; I672-L676 PolarHBondContact O-N 3.28Å; E673-L676 PolarHBondContact O-N 2.92Å; E674-L676 VanDerWaalsContact C-N 3.33Å; E674-L676 PolarHBondContact O-N 3.43Å; L676-K678 VanDerWaalsContact C-N 3.31Å; L676-K678 PolarHBondContact O-N 3.19Å; L676-E679 PolarHBondContact O-N 3.05Å; L676-V680 HydrophobicContact CD1-CG2 4.45Å; L676-V680 WeakPolarHBondContact O-CG2 3.49Å; L676-V680 PolarHBondContact O-N 3.26Å
677A85.1Confident88.7Confident38 Ų3877.7 Ų77.731%0.31438%0.383SS..Hα-helixtrans-63.2-37.3176.900000111.8E673 E674 V680 Q681E673-A677 WeakPolarHBondContact O-CB 3.49Å; E673-A677 PolarHBondContact O-N 3.46Å; E674-A677 PolarHBondContact O-N 2.86Å; A677-V680 PolarHBondContact O-N 3.39Å; A677-Q681 WeakPolarHBondContact O-CG 3.23Å; A677-Q681 PolarHBondContact O-N 3.33Å; A677-Q681 PolarHBondContact O-NE2 3.24Å
678K85.6Confident89.1Confident35 Ų3573.6 Ų73.615%0.15236%0.364CS..Hα-helixtrans-61-48.2170.5-66.3165.3-154.2162.10111.2E674 D675 L676 V680 Q681 N682E674-K678 WeakPolarHBondContact O-CG 3.25Å; E674-K678 PolarHBondContact O-N 3.36Å; E674-K678 VanDerWaalsContact O-N 3.12Å; E674-K678 WeakPolarHBondContact OE1-CE 3.34Å; E674-K678 IonicContact OE1-NZ 2.66Å; D675-K678 IonicContact OD1-NZ 2.75Å; D675-K678 PolarHBondContact OD1-NZ 2.89Å; L676-K678 VanDerWaalsContact C-N 3.31Å; L676-K678 PolarHBondContact O-N 3.19Å; K678-V680 VanDerWaalsContact C-N 3.34Å; K678-V680 PolarHBondContact O-N 2.88Å; K678-Q681 CarbonylContact O-C 3.59Å; K678-Q681 WeakPolarHBondContact O-CA 3.48Å; K678-Q681 WeakPolarHBondContact O-CB 3.43Å; K678-Q681 PolarHBondContact O-N 3.44Å; K678-Q681 VanDerWaalsContact O-N 3.09Å; K678-N682 WeakPolarHBondContact O-CB 3.33Å; K678-N682 VanDerWaalsContact O-CG 3.27Å; K678-N682 PolarHBondContact O-N 2.7Å; K678-N682 PolarHBondContact O-ND2 2.78Å
679E88.7Confident89.6Confident77 Ų7771.8 Ų71.836%0.3636%0.361SS..Hα-helixtrans-68.4-30179.9-66.7-51.2112.600113.6M351 D675 L676 N682 G683M351-E679 HydrophobicContact CB-CG 4.49Å; M351-E679 HydrophobicContact CE-CG 3.97Å; D675-E679 PolarHBondContact O-N 3Å; L676-E679 PolarHBondContact O-N 3.05Å; E679-N682 PolarHBondContact O-N 3.11Å; E679-N682 PolarHBondContact OE1-ND2 3.14Å; E679-G683 PolarHBondContact O-N 2.67Å
680V90.1Very high90Very high90 Ų9070.3 Ų70.355%0.54536%0.359SS..Hα-helixtrans-64.5-41.4169169.70000111.2L676 A677 K678 R684L676-V680 HydrophobicContact CD1-CG2 4.45Å; L676-V680 WeakPolarHBondContact O-CG2 3.49Å; L676-V680 PolarHBondContact O-N 3.26Å; A677-V680 PolarHBondContact O-N 3.39Å; K678-V680 VanDerWaalsContact C-N 3.34Å; K678-V680 PolarHBondContact O-N 2.88Å; V680-R684 PolarHBondContact O-N 3.08Å; V680-R684 VanDerWaalsContact O-N 3.07Å
681Q88.3Confident90.3Very high85 Ų8568.5 Ų68.540%0.39735%0.347SS..Hα-helixtrans-65.8-46.8173.5-70.3174.756.900111.5A677 K678 G683 R684 L685A677-Q681 WeakPolarHBondContact O-CG 3.23Å; A677-Q681 PolarHBondContact O-N 3.33Å; A677-Q681 PolarHBondContact O-NE2 3.24Å; K678-Q681 CarbonylContact O-C 3.59Å; K678-Q681 WeakPolarHBondContact O-CA 3.48Å; K678-Q681 WeakPolarHBondContact O-CB 3.43Å; K678-Q681 PolarHBondContact O-N 3.44Å; K678-Q681 VanDerWaalsContact O-N 3.09Å; Q681-G683 VanDerWaalsContact C-N 3.33Å; Q681-G683 PolarHBondContact O-N 2.79Å; Q681-R684 WeakPolarHBondContact O-CA 3.42Å; Q681-R684 WeakPolarHBondContact O-CB 3.41Å; Q681-R684 PolarHBondContact O-N 2.97Å; Q681-L685 VanDerWaalsContact O-CG 3.3Å; Q681-L685 WeakPolarHBondContact O-CG 3.08Å; Q681-L685 PolarHBondContact O-N 2.93Å
682N90.4Very high90.7Very high27 Ų2764.2 Ų64.214%0.14432%0.321CS..Hα-helixtrans-60.3-41.9178-68.5-30.9000111.4F349 F350 K678 E679 R684 L685 F686F349-N682 PolarHBondContact O-ND2 2.85Å; F349-N682 PolarHBondContact O-OD1 3.3Å; F350-N682 WeakPolarHBondContact CD1-ND2 3.5Å; K678-N682 WeakPolarHBondContact O-CB 3.33Å; K678-N682 VanDerWaalsContact O-CG 3.27Å; K678-N682 PolarHBondContact O-N 2.7Å; K678-N682 PolarHBondContact O-ND2 2.78Å; E679-N682 PolarHBondContact O-N 3.11Å; E679-N682 PolarHBondContact OE1-ND2 3.14Å; N682-R684 VanDerWaalsContact C-N 3.33Å; N682-R684 PolarHBondContact O-N 3.47Å; N682-L685 PolarHBondContact O-N 3.03Å; N682-F686 WeakPolarHBondContact O-CB 3.34Å; N682-F686 PolarHBondContact O-N 2.93Å
683G92.6Very high90.9Very high22 Ų2263.7 Ų63.723%0.22733%0.332CS..Hα-helixtrans-63.3-33.9172.100000113.8E679 Q681 R687E679-G683 PolarHBondContact O-N 2.67Å; Q681-G683 VanDerWaalsContact C-N 3.33Å; Q681-G683 PolarHBondContact O-N 2.79Å; G683-R687 WeakPolarHBondContact O-CG 3.49Å; G683-R687 PolarHBondContact O-N 2.91Å; G683-R687 PolarHBondContact O-NH1 3.19Å; G683-R687 VanDerWaalsContact O-NH1 3.09Å
684R94.3Very high91.1Very high77 Ų7760.7 Ų60.729%0.29132%0.323SS..Hα-helixtrans-68.1-48.1172.7-177.2-178.373.4168.7-9.5111.4V680 Q681 N682 F686 R687 L688 N745 D748V680-R684 PolarHBondContact O-N 3.08Å; V680-R684 VanDerWaalsContact O-N 3.07Å; Q681-R684 WeakPolarHBondContact O-CA 3.42Å; Q681-R684 WeakPolarHBondContact O-CB 3.41Å; Q681-R684 PolarHBondContact O-N 2.97Å; N682-R684 VanDerWaalsContact C-N 3.33Å; N682-R684 PolarHBondContact O-N 3.47Å; R684-F686 VanDerWaalsContact C-N 3.34Å; R684-F686 PolarHBondContact O-N 3.38Å; R684-R687 PolarHBondContact O-N 3.39Å; R684-L688 HydrophobicContact CG-CD1 4.2Å; R684-L688 WeakPolarHBondContact O-CG 3.37Å; R684-L688 PolarHBondContact O-N 2.97Å; R684-N745 PolarHBondContact NH2-OD1 3.14Å; R684-D748 VanDerWaalsContact CD-OD2 3.25Å; R684-D748 WeakPolarHBondContact CD-OD2 3.49Å; R684-D748 IonicContact CZ-OD2 2.74Å; R684-D748 IonicContact NE-OD2 2.68Å; R684-D748 PolarHBondContact NE-OD2 3.36Å; R684-D748 IonicContact NH1-OD2 2.67Å; R684-D748 PolarHBondContact NH1-OD2 3.25Å
685L94.4Very high91.3Very high11 Ų1155.7 Ų55.76%0.05830%0.299CS..Hα-helixtrans-59.1-44.4177.4-66.3170.1000111.3Q681 N682 R687 L688 L689 V741 L744Q681-L685 VanDerWaalsContact O-CG 3.3Å; Q681-L685 WeakPolarHBondContact O-CG 3.08Å; Q681-L685 PolarHBondContact O-N 2.93Å; N682-L685 PolarHBondContact O-N 3.03Å; L685-R687 PolarHBondContact O-N 2.93Å; L685-L688 WeakPolarHBondContact O-CB 3.38Å; L685-L688 PolarHBondContact O-N 3.28Å; L685-L689 WeakPolarHBondContact O-CG 3.47Å; L685-L689 PolarHBondContact O-N 3.34Å; L685-V741 HydrophobicContact CD1-CG1 4.03Å; L685-V741 HydrophobicContact CD1-CG2 4.26Å; L685-L744 HydrophobicContact CD2-CB 3.38Å; L685-L744 HydrophobicContact CD2-CD1 4.07Å; L685-L744 HydrophobicContact CD2-CG 4.37Å
686F95.5Very high91.5Very high150 Ų15056.3 Ų56.366%0.65830%0.303SS*.Hα-helixtrans-57.5-45.2173.8175.9-101.2000112.6N682 R684 L688 L689 A690N682-F686 WeakPolarHBondContact O-CB 3.34Å; N682-F686 PolarHBondContact O-N 2.93Å; R684-F686 VanDerWaalsContact C-N 3.34Å; R684-F686 PolarHBondContact O-N 3.38Å; F686-L688 VanDerWaalsContact C-N 3.33Å; F686-L688 PolarHBondContact O-N 3.32Å; F686-L689 PolarHBondContact O-N 3.06Å; F686-A690 WeakPolarHBondContact O-CB 3.31Å; F686-A690 PolarHBondContact O-N 2.92Å
687R95.3Very high91.2Very high149 Ų14955.2 Ų55.256%0.56230%0.295SS*.Hα-helixtrans-63.1-37.6176.7-72.6-177-63.4-91.15.2112.5G683 R684 L685 K691G683-R687 WeakPolarHBondContact O-CG 3.49Å; G683-R687 PolarHBondContact O-N 2.91Å; G683-R687 PolarHBondContact O-NH1 3.19Å; G683-R687 VanDerWaalsContact O-NH1 3.09Å; R684-R687 PolarHBondContact O-N 3.39Å; L685-R687 PolarHBondContact O-N 2.93Å; R687-K691 WeakPolarHBondContact O-CG 3.43Å; R687-K691 PolarHBondContact O-N 2.99Å
688L95.2Very high91.1Very high10 Ų1056.8 Ų56.85%0.05229%0.293CS..Hα-helixtrans-66.8-41.8175.3-67.7161.1000111.8R684 L685 F686 K691 L692 D748 F777R684-L688 HydrophobicContact CG-CD1 4.2Å; R684-L688 WeakPolarHBondContact O-CG 3.37Å; R684-L688 PolarHBondContact O-N 2.97Å; L685-L688 WeakPolarHBondContact O-CB 3.38Å; L685-L688 PolarHBondContact O-N 3.28Å; F686-L688 VanDerWaalsContact C-N 3.33Å; F686-L688 PolarHBondContact O-N 3.32Å; L688-K691 WeakPolarHBondContact O-CB 3.25Å; L688-K691 PolarHBondContact O-N 2.82Å; L688-L692 WeakPolarHBondContact O-CB 3.14Å; L688-L692 PolarHBondContact O-N 3.3Å; L688-D748 HydrophobicContact CD1-CB 3.66Å; L688-F777 HydrophobicContact CD2-CE1 3.69Å; L688-F777 HydrophobicContact CD2-CZ 3.83Å
689L95.1Very high90.8Very high58 Ų5860.5 Ų60.530%0.30432%0.32SS..Hα-helixtrans-67.1-39.4176.2-70-175.6000112.7L685 F686 L692 G693 L723 F724 L744L685-L689 WeakPolarHBondContact O-CG 3.47Å; L685-L689 PolarHBondContact O-N 3.34Å; F686-L689 PolarHBondContact O-N 3.06Å; L689-L692 HydrophobicContact CD2-CD2 4.44Å; L689-L692 PolarHBondContact O-N 2.72Å; L689-G693 PolarHBondContact O-N 3.13Å; L689-L723 HydrophobicContact CD2-CD2 4.24Å; L689-F724 HydrophobicContact CD1-CZ 4.35Å; L689-F724 HydrophobicContact CD2-CE2 4.22Å; L689-F724 HydrophobicContact CD2-CZ 3.6Å; L689-L744 HydrophobicContact CD1-CD1 4.1Å; L689-L744 HydrophobicContact CD2-CD1 3.73Å; L689-L744 HydrophobicContact CD2-CD2 3.75Å; L689-L744 HydrophobicContact CD2-CG 4.37Å; L689-L744 HydrophobicContact CG-CD1 3.92Å; L689-L744 HydrophobicContact CG-CD2 4.48Å
690A95.1Very high90.3Very high47 Ų4763.1 Ų63.139%0.38833%0.332SS..Hα-helixtrans-62.2-44.6173.500000111.9F686 T694F686-A690 WeakPolarHBondContact O-CB 3.31Å; F686-A690 PolarHBondContact O-N 2.92Å; A690-T694 WeakPolarHBondContact O-CB 3.29Å; A690-T694 PolarHBondContact O-N 2.75Å; A690-T694 PolarHBondContact O-OG1 3.31Å
691K94.2Very high89.8Confident57 Ų5759.6 Ų59.625%0.24831%0.31CS..Hα-helixtrans-57.3-51.1171.1-78.5-175.7168-168.20111.5R687 L688 G693 T694 I695 F777 D778 F781R687-K691 WeakPolarHBondContact O-CG 3.43Å; R687-K691 PolarHBondContact O-N 2.99Å; L688-K691 WeakPolarHBondContact O-CB 3.25Å; L688-K691 PolarHBondContact O-N 2.82Å; K691-G693 VanDerWaalsContact C-N 3.34Å; K691-G693 PolarHBondContact O-N 3.02Å; K691-T694 WeakPolarHBondContact O-CA 3.33Å; K691-T694 WeakPolarHBondContact O-CB 3.47Å; K691-T694 PolarHBondContact O-N 3.21Å; K691-I695 WeakPolarHBondContact O-CG1 3.49Å; K691-I695 PolarHBondContact O-N 3.4Å; K691-F777 HydrophobicContact CB-CE1 4.44Å; K691-F777 HydrophobicContact CB-CE2 3.78Å; K691-F777 HydrophobicContact CB-CZ 3.47Å; K691-F777 VanDerWaalsContact CB-CZ 3.47Å; K691-F777 HydrophobicContact CD-CE1 3.58Å; K691-F777 HydrophobicContact CD-CE2 4.4Å; K691-F777 HydrophobicContact CD-CZ 3.42Å; K691-F777 VanDerWaalsContact CD-CZ 3.42Å; K691-F777 HydrophobicContact CG-CZ 4.12Å; K691-D778 IonicContact NZ-OD1 3.76Å; K691-D778 PolarHBondContact NZ-OD1 3.06Å; K691-D778 VanDerWaalsContact NZ-OD1 3.14Å; K691-F781 HydrophobicContact CB-CD2 4.08Å; K691-F781 HydrophobicContact CB-CE2 4.15Å; K691-F781 HydrophobicContact CB-CG 4.44Å; K691-F781 HydrophobicContact CD-CD1 3.9Å; K691-F781 HydrophobicContact CD-CE1 4.13Å; K691-F781 HydrophobicContact CD-CG 4.14Å; K691-F781 HydrophobicContact CG-CD1 3.95Å; K691-F781 HydrophobicContact CG-CD2 3.96Å; K691-F781 HydrophobicContact CG-CE1 3.81Å; K691-F781 HydrophobicContact CG-CE2 3.82Å; K691-F781 HydrophobicContact CG-CG 4.04Å; K691-F781 HydrophobicContact CG-CZ 3.75Å
692L93.1Very high89.3Confident4 Ų461.2 Ų61.22%0.02132%0.317CS..Hα-helixtrans-61.7-40.1-177.4-172.860.2000112L688 L689 T694 I695 N696 L716 L723 F777L688-L692 WeakPolarHBondContact O-CB 3.14Å; L688-L692 PolarHBondContact O-N 3.3Å; L689-L692 HydrophobicContact CD2-CD2 4.44Å; L689-L692 PolarHBondContact O-N 2.72Å; L692-T694 VanDerWaalsContact C-N 3.3Å; L692-T694 PolarHBondContact O-N 3Å; L692-I695 PolarHBondContact O-N 3.47Å; L692-N696 VanDerWaalsContact CD1-ND2 3.32Å; L692-N696 WeakPolarHBondContact CD1-ND2 3.44Å; L692-N696 WeakPolarHBondContact CG-ND2 3.28Å; L692-N696 WeakPolarHBondContact O-CB 3.48Å; L692-N696 PolarHBondContact O-N 2.87Å; L692-N696 PolarHBondContact O-ND2 3.13Å; L692-L716 HydrophobicContact CD1-CB 4.46Å; L692-L723 HydrophobicContact CD2-CD2 4.32Å; L692-F777 HydrophobicContact CB-CE2 4.09Å; L692-F777 HydrophobicContact CD1-CD2 4.4Å; L692-F777 HydrophobicContact CD1-CE2 4.41Å
693G91.4Very high88.8Confident58 Ų5869.1 Ų69.160%0.59835%0.351SS*.Hα-helixtrans-72-16.3172.800000114.8L689 K691L689-G693 PolarHBondContact O-N 3.13Å; K691-G693 VanDerWaalsContact C-N 3.34Å; K691-G693 PolarHBondContact O-N 3.02Å
694T90.8Very high88.4Confident63 Ų6371.2 Ų71.239%0.38736%0.356SS..Hα-helixtrans-82.6-18.4173.1-56.70000112.2A690 K691 L692 R698 F781 L784A690-T694 WeakPolarHBondContact O-CB 3.29Å; A690-T694 PolarHBondContact O-N 2.75Å; A690-T694 PolarHBondContact O-OG1 3.31Å; K691-T694 WeakPolarHBondContact O-CA 3.33Å; K691-T694 WeakPolarHBondContact O-CB 3.47Å; K691-T694 PolarHBondContact O-N 3.21Å; L692-T694 VanDerWaalsContact C-N 3.3Å; L692-T694 PolarHBondContact O-N 3Å; T694-R698 PolarHBondContact O-NE 2.94Å; T694-R698 PolarHBondContact O-NH2 3.18Å; T694-F781 HydrophobicContact CG2-CE2 4.21Å; T694-L784 HydrophobicContact CG2-CD1 4.26Å; T694-L784 WeakPolarHBondContact O-CD1 3.43Å
695I90.4Very high87.7Confident1 Ų172.2 Ų72.21%0.00537%0.373CS..Hα-helixtrans-95.6-53.2178.9-64.2165.8000111.3K691 L692 W707 L716 F777 T780 F781 L784K691-I695 WeakPolarHBondContact O-CG1 3.49Å; K691-I695 PolarHBondContact O-N 3.4Å; L692-I695 PolarHBondContact O-N 3.47Å; I695-W707 HydrophobicContact CG2-CH2 4.36Å; I695-W707 HydrophobicContact CG2-CZ3 4.37Å; I695-L716 HydrophobicContact CD1-CD1 4.24Å; I695-L716 HydrophobicContact CG2-CD1 4.07Å; I695-F777 HydrophobicContact CD1-CD2 4.07Å; I695-F777 HydrophobicContact CD1-CE2 4.37Å; I695-T780 HydrophobicContact CB-CG2 4.45Å; I695-T780 HydrophobicContact CD1-CG2 4.15Å; I695-T780 HydrophobicContact CG1-CG2 4.05Å; I695-T780 HydrophobicContact CG2-CG2 3.59Å; I695-F781 HydrophobicContact CD1-CB 4.18Å; I695-F781 HydrophobicContact CD1-CD2 4.39Å; I695-F781 HydrophobicContact CG1-CD2 4.44Å; I695-L784 HydrophobicContact CG1-CD1 3.84Å
696N87.8Confident87.2Confident20 Ų2073.6 Ų73.611%0.10739%0.386CS..THydrogen-bonded Turntrans-71.6140.3-167.7-71.5-21.1000113.5L692 R698 R720L692-N696 VanDerWaalsContact CD1-ND2 3.32Å; L692-N696 WeakPolarHBondContact CD1-ND2 3.44Å; L692-N696 WeakPolarHBondContact CG-ND2 3.28Å; L692-N696 WeakPolarHBondContact O-CB 3.48Å; L692-N696 PolarHBondContact O-N 2.87Å; L692-N696 PolarHBondContact O-ND2 3.13Å; N696-R698 PolarHBondContact O-N 3.11Å; N696-R698 VanDerWaalsContact O-N 3.15Å; N696-R720 WeakPolarHBondContact ND2-CB 3.39Å
697E82.4Confident86.7Confident81 Ų8167 Ų6738%0.37936%0.357SS..THydrogen-bonded Turntrans52.528.8179.8-42.7-78.8179.800113.6P699 K717 R720 R760E697-P699 WeakPolarHBondContact O-CD 3.47Å; E697-K717 WeakPolarHBondContact OE1-CE 3.33Å; E697-K717 IonicContact OE1-NZ 3.79Å; E697-K717 PolarHBondContact OE1-NZ 3.31Å; E697-K717 WeakPolarHBondContact OE2-CE 3.3Å; E697-K717 IonicContact OE2-NZ 2.95Å; E697-K717 PolarHBondContact OE2-NZ 3.29Å; E697-R720 IonicContact OE1-CZ 3.06Å; E697-R720 IonicContact OE1-NH1 3.73Å; E697-R720 PolarHBondContact OE1-NH1 3.46Å; E697-R720 IonicContact OE1-NH2 2.75Å; E697-R720 PolarHBondContact OE1-NH2 3.43Å; E697-R760 IonicContact OE1-NH2 3.19Å; E697-R760 PolarHBondContact OE1-NH2 3.2Å
698R82.7Confident86Confident71 Ų7160.3 Ų60.327%0.26833%0.333SS..  trans-61.1119.3172.6173.4172.9-70.1-113.4-0.7109.3T694 N696 E700 W707T694-R698 PolarHBondContact O-NE 2.94Å; T694-R698 PolarHBondContact O-NH2 3.18Å; N696-R698 PolarHBondContact O-N 3.11Å; N696-R698 VanDerWaalsContact O-N 3.15Å; R698-E700 VanDerWaalsContact C-N 3.34Å; R698-E700 WeakPolarHBondContact CD-O 3.41Å; R698-E700 VanDerWaalsContact CG-O 3.28Å; R698-E700 WeakPolarHBondContact CG-O 3.48Å; R698-E700 PolarHBondContact O-N 3.02Å; R698-W707 HydrophobicContact CB-CE3 4.29Å; R698-W707 HydrophobicContact CB-CZ3 4.25Å; R698-W707 HydrophobicContact CG-CE3 4.48Å
699P78.2Confident85.3Confident112 Ų11263.4 Ų63.473%0.72735%0.347SS*.SBendtrans-65.5-31.1-171.7-25.335.3000115.3E697E697-P699 WeakPolarHBondContact O-CD 3.47Å
700E78.3Confident84.7Confident132 Ų13263.7 Ų63.762%0.61735%0.351SS*.  trans-153.9150.4172.758.6172.7176.400111.2R698 D704R698-E700 VanDerWaalsContact C-N 3.34Å; R698-E700 WeakPolarHBondContact CD-O 3.41Å; R698-E700 VanDerWaalsContact CG-O 3.28Å; R698-E700 WeakPolarHBondContact CG-O 3.48Å; R698-E700 PolarHBondContact O-N 3.02Å; E700-D704 WeakPolarHBondContact CA-O 3.46Å
701F79.6Confident84.2Confident17 Ų1763.9 Ų63.98%0.07536%0.358CS..BIsolated β-bridgetrans-143.8131.7165.7-175.5-109.6000109.9K703 D704 W707 E783 L784 A787F701-K703 PolarHBondContact O-N 3.48Å; F701-D704 PolarHBondContact N-O 3.47Å; F701-D704 WeakPolarHBondContact O-CB 3.44Å; F701-D704 PolarHBondContact O-N 3.02Å; F701-W707 HydrophobicContact CB-CB 4.02Å; F701-W707 HydrophobicContact CB-CD2 3.79Å; F701-W707 HydrophobicContact CB-CE3 4.2Å; F701-W707 HydrophobicContact CB-CG 3.72Å; F701-W707 AromaticContact CD1-CD1 3.59Å; F701-W707 HydrophobicContact CD1-CD2 4.07Å; F701-W707 AromaticContact CD1-CE2 3.66Å; F701-W707 HydrophobicContact CD1-CG 4.02Å; F701-W707 HydrophobicContact CD1-CZ2 4.29Å; F701-W707 AromaticContact CD1-NE1 3.33Å; F701-W707 VanDerWaalsContact CD1-NE1 3.33Å; F701-W707 AromaticContact CE1-NE1 3.85Å; F701-W707 HydrophobicContact CG-CD2 4.16Å; F701-W707 HydrophobicContact CG-CG 4.28Å; F701-E783 HydrophobicContact CE1-CG 3.86Å; F701-E783 HydrophobicContact CZ-CG 4.12Å; F701-L784 HydrophobicContact CD2-CD2 3.61Å; F701-L784 HydrophobicContact CE2-CD2 3.45Å; F701-L784 VanDerWaalsContact CE2-CD2 3.45Å; F701-L784 HydrophobicContact CG-CD2 4.23Å; F701-L784 HydrophobicContact CZ-CD2 3.92Å; F701-A787 HydrophobicContact CE2-CB 3.66Å; F701-A787 HydrophobicContact CZ-CB 3.5Å; F701-A787 VanDerWaalsContact CZ-CB 3.5Å
702Q79.4Confident83.9Confident118 Ų11864.1 Ų64.155%0.55136%0.362SS*.THydrogen-bonded Turntrans49.429.1-176.7-65.6-173.5-30.100115D704Q702-D704 VanDerWaalsContact C-N 3.32Å
703K80Confident83.7Confident194 Ų19466.4 Ų66.484%0.84337%0.37SS*.THydrogen-bonded Turntrans72.79.8-173.6-46170.6-174.4171.70115.8F701 P705F701-K703 PolarHBondContact O-N 3.48Å; K703-P705 WeakPolarHBondContact O-CD 3.49Å
704D82.3Confident83.6Confident65 Ų6567.3 Ų67.335%0.34836%0.356SS..BIsolated β-bridgetrans-90.1114.2165.4179.914.7000110.2E700 F701 Q702 A706 W707E700-D704 WeakPolarHBondContact CA-O 3.46Å; F701-D704 PolarHBondContact N-O 3.47Å; F701-D704 WeakPolarHBondContact O-CB 3.44Å; F701-D704 PolarHBondContact O-N 3.02Å; Q702-D704 VanDerWaalsContact C-N 3.32Å; D704-A706 VanDerWaalsContact C-N 3.31Å; D704-A706 WeakPolarHBondContact OD1-CA 3.27Å; D704-A706 WeakPolarHBondContact OD1-CB 3.42Å; D704-A706 PolarHBondContact OD1-N 2.82Å; D704-W707 HydrophobicContact CB-CB 4.25Å; D704-W707 WeakPolarHBondContact OD2-CA 3.33Å; D704-W707 PolarHBondContact OD2-N 2.61Å
705P81.3Confident83.6Confident98 Ų9865.9 Ų65.964%0.63635%0.346SS*.THydrogen-bonded Turntrans-81.4-6.8174.135.1-36.1000113.4K703K703-P705 WeakPolarHBondContact O-CD 3.49Å
706A83.9Confident83.8Confident41 Ų4165.9 Ų65.934%0.33935%0.346SS..THydrogen-bonded Turntrans-103.55.417800000113.1D704 S708 E709D704-A706 VanDerWaalsContact C-N 3.31Å; D704-A706 WeakPolarHBondContact OD1-CA 3.27Å; D704-A706 WeakPolarHBondContact OD1-CB 3.42Å; D704-A706 PolarHBondContact OD1-N 2.82Å; A706-S708 VanDerWaalsContact C-N 3.28Å; A706-S708 PolarHBondContact O-N 2.85Å; A706-E709 WeakPolarHBondContact O-CA 3.45Å; A706-E709 WeakPolarHBondContact O-CB 3.18Å; A706-E709 PolarHBondContact O-N 3.09Å
707W83.6Confident84Confident12 Ų1265.5 Ų65.55%0.04534%0.343CS..G310 helixtrans-55.5-38.2-174.5179.288.5000113.3I695 R698 F701 D704 E709 T710 R713 T780 E783 L784I695-W707 HydrophobicContact CG2-CH2 4.36Å; I695-W707 HydrophobicContact CG2-CZ3 4.37Å; R698-W707 HydrophobicContact CB-CE3 4.29Å; R698-W707 HydrophobicContact CB-CZ3 4.25Å; R698-W707 HydrophobicContact CG-CE3 4.48Å; F701-W707 HydrophobicContact CB-CB 4.02Å; F701-W707 HydrophobicContact CB-CD2 3.79Å; F701-W707 HydrophobicContact CB-CE3 4.2Å; F701-W707 HydrophobicContact CB-CG 3.72Å; F701-W707 AromaticContact CD1-CD1 3.59Å; F701-W707 HydrophobicContact CD1-CD2 4.07Å; F701-W707 AromaticContact CD1-CE2 3.66Å; F701-W707 HydrophobicContact CD1-CG 4.02Å; F701-W707 HydrophobicContact CD1-CZ2 4.29Å; F701-W707 AromaticContact CD1-NE1 3.33Å; F701-W707 VanDerWaalsContact CD1-NE1 3.33Å; F701-W707 AromaticContact CE1-NE1 3.85Å; F701-W707 HydrophobicContact CG-CD2 4.16Å; F701-W707 HydrophobicContact CG-CG 4.28Å; D704-W707 HydrophobicContact CB-CB 4.25Å; D704-W707 WeakPolarHBondContact OD2-CA 3.33Å; D704-W707 PolarHBondContact OD2-N 2.61Å; W707-E709 VanDerWaalsContact C-N 3.25Å; W707-E709 PolarHBondContact O-N 3.35Å; W707-T710 PolarHBondContact O-OG1 3.11Å; W707-R713 HydrophobicContact CD2-CG 4.48Å; W707-R713 HydrophobicContact CE3-CG 4.5Å; W707-R713 HydrophobicContact CH2-CG 4.24Å; W707-R713 HydrophobicContact CZ2-CG 4.23Å; W707-R713 HydrophobicContact CZ3-CG 4.38Å; W707-R713 WeakPolarHBondContact O-CD 3.37Å; W707-T780 HydrophobicContact CH2-CG2 3.44Å; W707-T780 VanDerWaalsContact CH2-CG2 3.44Å; W707-T780 HydrophobicContact CZ2-CG2 3.7Å; W707-T780 HydrophobicContact CZ3-CG2 4.44Å; W707-E783 WeakPolarHBondContact CZ2-OE2 3.28Å; W707-E783 PolarHBondContact NE1-OE1 3.04Å; W707-L784 HydrophobicContact CH2-CD1 3.84Å; W707-L784 HydrophobicContact CH2-CD2 3.55Å; W707-L784 HydrophobicContact CH2-CG 3.73Å; W707-L784 HydrophobicContact CZ2-CD2 3.8Å; W707-L784 HydrophobicContact CZ2-CG 4.11Å; W707-L784 HydrophobicContact CZ3-CD2 4.22Å
708S80.3Confident84.5Confident8 Ų862 Ų626%0.05633%0.327CS..G310 helixtrans-73.5-12.3177.162.40000114.6A706A706-S708 VanDerWaalsContact C-N 3.28Å; A706-S708 PolarHBondContact O-N 2.85Å
709E80.8Confident85.1Confident75 Ų7558.6 Ų58.635%0.3531%0.314SS..G310 helixtrans-100.50.5-174.6-52.3-52.1108.700113.6A706 W707 Y714 K717A706-E709 WeakPolarHBondContact O-CA 3.45Å; A706-E709 WeakPolarHBondContact O-CB 3.18Å; A706-E709 PolarHBondContact O-N 3.09Å; W707-E709 VanDerWaalsContact C-N 3.25Å; W707-E709 PolarHBondContact O-N 3.35Å; E709-Y714 WeakPolarHBondContact O-CD2 3.31Å; E709-K717 IonicContact OE1-NZ 3.43Å; E709-K717 PolarHBondContact OE1-NZ 3.28Å; E709-K717 IonicContact OE2-NZ 3.94Å; E709-K717 PolarHBondContact OE2-NZ 3.16Å
710T82.7Confident85.8Confident64 Ų6454.9 Ų54.939%0.39329%0.286SS..SBendtrans-120.4143.5-170.161.60000114.2W707 D712 R713 Y714W707-T710 PolarHBondContact O-OG1 3.11Å; T710-D712 PolarHBondContact O-N 3.16Å; T710-R713 WeakPolarHBondContact O-CB 3.45Å; T710-R713 VanDerWaalsContact O-CD 3.3Å; T710-R713 WeakPolarHBondContact O-CD 3.36Å; T710-R713 PolarHBondContact O-N 2.88Å; T710-R713 VanDerWaalsContact O-N 3.13Å; T710-Y714 PolarHBondContact O-N 3.36Å
711G85.7Confident86.5Confident51 Ų5149.6 Ų49.653%0.52626%0.262SS..Hα-helixtrans52.5-133.2173.400000114R713 Y714 L715G711-R713 PolarHBondContact O-N 2.87Å; G711-R713 VanDerWaalsContact O-N 3.13Å; G711-Y714 WeakPolarHBondContact O-CB 3.33Å; G711-Y714 PolarHBondContact O-N 3.46Å; G711-L715 PolarHBondContact O-N 3.43Å
712D86.3Confident87.1Confident62 Ų6251.5 Ų51.533%0.33227%0.271SS..Hα-helixtrans-49.2-35.5176.8-66.828.6000113.4T710 L715 L716 C776T710-D712 PolarHBondContact O-N 3.16Å; D712-L715 WeakPolarHBondContact O-CB 3.43Å; D712-L715 PolarHBondContact O-N 2.87Å; D712-L716 WeakPolarHBondContact O-CG 3.45Å; D712-L716 PolarHBondContact O-N 3.37Å; D712-C776 HydrophobicContact CB-CB 3.87Å
713R89.5Confident87.8Confident51 Ų5145.9 Ų45.919%0.19225%0.245CC..Hα-helixtrans-69.5-35.5-179.9-55.596.6-168157.62.4111.6W707 T710 G711 L715 L716 K717 T780 E783W707-R713 HydrophobicContact CD2-CG 4.48Å; W707-R713 HydrophobicContact CE3-CG 4.5Å; W707-R713 HydrophobicContact CH2-CG 4.24Å; W707-R713 HydrophobicContact CZ2-CG 4.23Å; W707-R713 HydrophobicContact CZ3-CG 4.38Å; W707-R713 WeakPolarHBondContact O-CD 3.37Å; T710-R713 WeakPolarHBondContact O-CB 3.45Å; T710-R713 VanDerWaalsContact O-CD 3.3Å; T710-R713 WeakPolarHBondContact O-CD 3.36Å; T710-R713 PolarHBondContact O-N 2.88Å; T710-R713 VanDerWaalsContact O-N 3.13Å; G711-R713 PolarHBondContact O-N 2.87Å; G711-R713 VanDerWaalsContact O-N 3.13Å; R713-L715 PolarHBondContact O-N 2.98Å; R713-L716 PolarHBondContact O-N 2.74Å; R713-K717 PolarHBondContact O-N 2.68Å; R713-T780 HydrophobicContact CG-CG2 3.65Å; R713-E783 IonicContact CZ-OE2 2.68Å; R713-E783 IonicContact NE-OE2 3.44Å; R713-E783 PolarHBondContact NE-OE2 2.81Å; R713-E783 IonicContact NH2-OE1 2.77Å; R713-E783 IonicContact NH2-OE2 3.29Å; R713-E783 PolarHBondContact NH2-OE2 2.86Å
714Y89.6Confident88.4Confident78 Ų7840.9 Ų40.931%0.30622%0.223SC..Hα-helixtrans-63.8-38.9173.2-171-104.8000112.1E709 T710 G711 L716 K717 L718E709-Y714 WeakPolarHBondContact O-CD2 3.31Å; T710-Y714 PolarHBondContact O-N 3.36Å; G711-Y714 WeakPolarHBondContact O-CB 3.33Å; G711-Y714 PolarHBondContact O-N 3.46Å; Y714-L716 VanDerWaalsContact C-N 3.32Å; Y714-L716 PolarHBondContact O-N 3.05Å; Y714-K717 WeakPolarHBondContact O-CB 3.44Å; Y714-K717 PolarHBondContact O-N 3.08Å; Y714-L718 HydrophobicContact CD1-CD1 4.15Å; Y714-L718 HydrophobicContact CD1-CG 4.28Å; Y714-L718 HydrophobicContact CE1-CD1 3.62Å; Y714-L718 HydrophobicContact CE1-CD2 4.3Å; Y714-L718 HydrophobicContact CE1-CG 3.95Å; Y714-L718 WeakPolarHBondContact O-CG 3.46Å; Y714-L718 PolarHBondContact O-N 2.81Å
715L91.9Very high89Confident33 Ų3343 Ų4317%0.17323%0.23CC..Hα-helixtrans-62.4-39.3173.8-67.4176.7000112G711 D712 R713 L718 F719 L766 V768 L773G711-L715 PolarHBondContact O-N 3.43Å; D712-L715 WeakPolarHBondContact O-CB 3.43Å; D712-L715 PolarHBondContact O-N 2.87Å; R713-L715 PolarHBondContact O-N 2.98Å; L715-L718 PolarHBondContact O-N 3.05Å; L715-F719 WeakPolarHBondContact O-CB 3.43Å; L715-F719 PolarHBondContact O-N 3.23Å; L715-L766 HydrophobicContact CD2-CD1 3.7Å; L715-V768 HydrophobicContact CD2-CG1 4.14Å; L715-L773 HydrophobicContact CB-CD2 4.05Å
716L93.2Very high89.5Confident0 Ų039.6 Ų39.60%021%0.206CC..Hα-helixtrans-69.5-34.2175.6-60.6172.5000112.5L692 I695 D712 R713 Y714 F719 R720 C776 F777 T780L692-L716 HydrophobicContact CD1-CB 4.46Å; I695-L716 HydrophobicContact CD1-CD1 4.24Å; I695-L716 HydrophobicContact CG2-CD1 4.07Å; D712-L716 WeakPolarHBondContact O-CG 3.45Å; D712-L716 PolarHBondContact O-N 3.37Å; R713-L716 PolarHBondContact O-N 2.74Å; Y714-L716 VanDerWaalsContact C-N 3.32Å; Y714-L716 PolarHBondContact O-N 3.05Å; L716-F719 PolarHBondContact O-N 2.87Å; L716-R720 PolarHBondContact O-N 2.84Å; L716-C776 HydrophobicContact CD2-CB 4.21Å; L716-C776 HydrophobicContact CG-CB 4.29Å; L716-F777 HydrophobicContact CD1-CB 4.44Å; L716-F777 HydrophobicContact CD2-CB 3.79Å; L716-F777 HydrophobicContact CD2-CD2 4.43Å; L716-T780 HydrophobicContact CD1-CG2 4.44Å
717K92Very high89.8Confident13 Ų1342.2 Ų42.26%0.05722%0.218CC..Hα-helixtrans-63.4-46.8172.2-173.4172.5-172.2155.80111.8E697 E709 R713 Y714 R720 D721E697-K717 WeakPolarHBondContact OE1-CE 3.33Å; E697-K717 IonicContact OE1-NZ 3.79Å; E697-K717 PolarHBondContact OE1-NZ 3.31Å; E697-K717 WeakPolarHBondContact OE2-CE 3.3Å; E697-K717 IonicContact OE2-NZ 2.95Å; E697-K717 PolarHBondContact OE2-NZ 3.29Å; E709-K717 IonicContact OE1-NZ 3.43Å; E709-K717 PolarHBondContact OE1-NZ 3.28Å; E709-K717 IonicContact OE2-NZ 3.94Å; E709-K717 PolarHBondContact OE2-NZ 3.16Å; R713-K717 PolarHBondContact O-N 2.68Å; Y714-K717 WeakPolarHBondContact O-CB 3.44Å; Y714-K717 PolarHBondContact O-N 3.08Å; K717-R720 PolarHBondContact O-N 3.3Å; K717-D721 PolarHBondContact O-N 2.81Å; K717-D721 VanDerWaalsContact O-N 3.14Å
718L92.9Very high90.1Very high7 Ų743.6 Ų43.64%0.03723%0.228CC..Hα-helixtrans-67.5-36.9174.9-62.7-171.1000112.3Y714 L715 R720 D721 H722 L757 L766Y714-L718 HydrophobicContact CD1-CD1 4.15Å; Y714-L718 HydrophobicContact CD1-CG 4.28Å; Y714-L718 HydrophobicContact CE1-CD1 3.62Å; Y714-L718 HydrophobicContact CE1-CD2 4.3Å; Y714-L718 HydrophobicContact CE1-CG 3.95Å; Y714-L718 WeakPolarHBondContact O-CG 3.46Å; Y714-L718 PolarHBondContact O-N 2.81Å; L715-L718 PolarHBondContact O-N 3.05Å; L718-R720 VanDerWaalsContact C-N 3.35Å; L718-R720 PolarHBondContact O-N 3.21Å; L718-D721 PolarHBondContact O-N 3.49Å; L718-H722 PolarHBondContact O-N 2.94Å; L718-L757 HydrophobicContact CB-CB 4.02Å; L718-L757 HydrophobicContact CB-CD1 4.17Å; L718-L757 HydrophobicContact CD1-CB 4.25Å; L718-L766 HydrophobicContact CD1-CD1 4.13Å
719F95Very high90.6Very high0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-62.7-39.9174.4176.8-105.1000112.2L715 L716 D721 H722 L723 C743 L747 I755 L757 Y770 L773L715-F719 WeakPolarHBondContact O-CB 3.43Å; L715-F719 PolarHBondContact O-N 3.23Å; L716-F719 PolarHBondContact O-N 2.87Å; F719-D721 VanDerWaalsContact C-N 3.33Å; F719-D721 PolarHBondContact O-N 3Å; F719-H722 PolarHBondContact O-N 3.18Å; F719-L723 HydrophobicContact CE1-CD2 4.37Å; F719-L723 HydrophobicContact CZ-CD1 4.39Å; F719-L723 WeakPolarHBondContact O-CB 3.45Å; F719-L723 PolarHBondContact O-N 3.49Å; F719-C743 HydrophobicContact CE2-CB 4.4Å; F719-C743 HydrophobicContact CZ-CB 4.23Å; F719-L747 HydrophobicContact CD1-CD2 4.4Å; F719-L747 HydrophobicContact CE1-CD2 3.72Å; F719-L747 HydrophobicContact CZ-CB 4.36Å; F719-L747 HydrophobicContact CZ-CD2 4.24Å; F719-I755 HydrophobicContact CD2-CD1 3.8Å; F719-I755 HydrophobicContact CE2-CD1 4.01Å; F719-L757 HydrophobicContact CB-CD1 4.27Å; F719-Y770 HydrophobicContact CE2-CD1 4.37Å; F719-Y770 AromaticContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CZ-CE1 4.26Å; F719-L773 HydrophobicContact CB-CD1 4.35Å; F719-L773 HydrophobicContact CB-CD2 4.16Å; F719-L773 HydrophobicContact CD2-CD1 3.69Å; F719-L773 HydrophobicContact CE2-CD1 4.31Å; F719-L773 HydrophobicContact CG-CD1 4.13Å
720R94.1Very high91Very high34 Ų3453.8 Ų53.813%0.12829%0.288CS..Hα-helixtrans-60.7-43.5172.1-178.3-149.659.2-160.8-23.7111.4N696 E697 L716 K717 L718 H722 L723 F724N696-R720 WeakPolarHBondContact ND2-CB 3.39Å; E697-R720 IonicContact OE1-CZ 3.06Å; E697-R720 IonicContact OE1-NH1 3.73Å; E697-R720 PolarHBondContact OE1-NH1 3.46Å; E697-R720 IonicContact OE1-NH2 2.75Å; E697-R720 PolarHBondContact OE1-NH2 3.43Å; L716-R720 PolarHBondContact O-N 2.84Å; K717-R720 PolarHBondContact O-N 3.3Å; L718-R720 VanDerWaalsContact C-N 3.35Å; L718-R720 PolarHBondContact O-N 3.21Å; R720-H722 VanDerWaalsContact C-N 3.34Å; R720-H722 PolarHBondContact O-N 3.35Å; R720-L723 WeakPolarHBondContact O-CB 3.41Å; R720-L723 PolarHBondContact O-N 3.47Å; R720-L723 VanDerWaalsContact O-N 3.08Å; R720-F724 HydrophobicContact CG-CD2 3.68Å; R720-F724 HydrophobicContact CG-CE2 4.21Å; R720-F724 PolarHBondContact O-N 3.15Å
721D92.6Very high91.3Very high20 Ų2053.4 Ų53.411%0.10730%0.297CS..Hα-helixtrans-64.9-40.2179.6-69.26000110.6K717 L718 F719 L723 H725 R760K717-D721 PolarHBondContact O-N 2.81Å; K717-D721 VanDerWaalsContact O-N 3.14Å; L718-D721 PolarHBondContact O-N 3.49Å; F719-D721 VanDerWaalsContact C-N 3.33Å; F719-D721 PolarHBondContact O-N 3Å; D721-L723 VanDerWaalsContact C-N 3.29Å; D721-L723 PolarHBondContact O-N 2.92Å; D721-H725 WeakPolarHBondContact O-CA 3.49Å; D721-H725 WeakPolarHBondContact O-CB 3.33Å; D721-H725 PolarHBondContact O-N 3.45Å; D721-H725 IonicContact OD1-CE1 2.66Å; D721-H725 PolarHBondContact OD1-CE1 3.25Å; D721-H725 IonicContact OD1-ND1 3.14Å; D721-H725 PolarHBondContact OD1-ND1 2.95Å; D721-H725 IonicContact OD2-ND1 2.64Å; D721-R760 IonicContact OD1-NH2 3.93Å; D721-R760 PolarHBondContact OD1-NH2 3.44Å; D721-R760 IonicContact OD2-CZ 2.84Å; D721-R760 VanDerWaalsContact OD2-CZ 3.29Å; D721-R760 IonicContact OD2-NE 2.67Å; D721-R760 PolarHBondContact OD2-NE 2.68Å; D721-R760 IonicContact OD2-NH2 2.67Å; D721-R760 PolarHBondContact OD2-NH2 3.48Å
722H92.5Very high91.5Very high58 Ų5854.5 Ų54.527%0.26929%0.294SS..Hα-helixtrans-62.5-28.8169.8176.784.3000114.3L718 F719 R720 H739 L757L718-H722 PolarHBondContact O-N 2.94Å; F719-H722 PolarHBondContact O-N 3.18Å; R720-H722 VanDerWaalsContact C-N 3.34Å; R720-H722 PolarHBondContact O-N 3.35Å; H722-H739 AromaticContact CD2-NE2 3.97Å; H722-H739 AromaticContact CE1-CE1 4Å; H722-H739 AromaticContact NE2-CE1 3.54Å; H722-H739 AromaticContact NE2-NE2 3.81Å; H722-H739 PolarHBondContact O-NE2 3.21Å; H722-L757 HydrophobicContact CB-CD2 3.6Å
723L93.4Very high91.8Very high0 Ų057 Ų570%031%0.313CS..Hα-helixtrans-80.8-48.8-178.9-171.269.9000112.3L689 L692 F719 R720 D721 Q726 I740 C743 L744L689-L723 HydrophobicContact CD2-CD2 4.24Å; L692-L723 HydrophobicContact CD2-CD2 4.32Å; F719-L723 HydrophobicContact CE1-CD2 4.37Å; F719-L723 HydrophobicContact CZ-CD1 4.39Å; F719-L723 WeakPolarHBondContact O-CB 3.45Å; F719-L723 PolarHBondContact O-N 3.49Å; R720-L723 WeakPolarHBondContact O-CB 3.41Å; R720-L723 PolarHBondContact O-N 3.47Å; R720-L723 VanDerWaalsContact O-N 3.08Å; D721-L723 VanDerWaalsContact C-N 3.29Å; D721-L723 PolarHBondContact O-N 2.92Å; L723-Q726 PolarHBondContact O-NE2 2.75Å; L723-I740 HydrophobicContact CD1-CB 4.27Å; L723-I740 HydrophobicContact CD1-CG1 4.32Å; L723-I740 HydrophobicContact CD1-CG2 4.18Å; L723-I740 HydrophobicContact CG-CG1 4.36Å; L723-I740 HydrophobicContact CG-CG2 4.33Å; L723-I740 WeakPolarHBondContact O-CG1 3.33Å; L723-C743 HydrophobicContact CD1-CB 3.56Å; L723-L744 HydrophobicContact CD1-CG 4.18Å; L723-L744 HydrophobicContact CD2-CD1 4.44Å; L723-L744 HydrophobicContact CD2-CD2 3.82Å; L723-L744 HydrophobicContact CD2-CG 4.08Å
724F94Very high91.8Very high88 Ų8861.4 Ų61.439%0.38633%0.33SS..Hα-helixtrans-111-23.4-168.1-65-52000115.2L689 R720 Q726 I740L689-F724 HydrophobicContact CD1-CZ 4.35Å; L689-F724 HydrophobicContact CD2-CE2 4.22Å; L689-F724 HydrophobicContact CD2-CZ 3.6Å; R720-F724 HydrophobicContact CG-CD2 3.68Å; R720-F724 HydrophobicContact CG-CE2 4.21Å; R720-F724 PolarHBondContact O-N 3.15Å; F724-Q726 VanDerWaalsContact C-N 3.31Å; F724-Q726 PolarHBondContact O-N 3.37Å; F724-I740 HydrophobicContact CD1-CD1 3.9Å; F724-I740 HydrophobicContact CD1-CG1 4.29Å; F724-I740 HydrophobicContact CE1-CD1 4.14Å; F724-I740 HydrophobicContact CE1-CG1 4.44Å; F724-I740 HydrophobicContact CE1-CG2 4.06Å
725H93.6Very high91.8Very high109 Ų10965 Ų6551%0.50535%0.353SS..  trans-100.744.2-178.2-51.4147.9000110.9D721D721-H725 WeakPolarHBondContact O-CA 3.49Å; D721-H725 WeakPolarHBondContact O-CB 3.33Å; D721-H725 PolarHBondContact O-N 3.45Å; D721-H725 IonicContact OD1-CE1 2.66Å; D721-H725 PolarHBondContact OD1-CE1 3.25Å; D721-H725 IonicContact OD1-ND1 3.14Å; D721-H725 PolarHBondContact OD1-ND1 2.95Å; D721-H725 IonicContact OD2-ND1 2.64Å
726Q91.2Very high91.6Very high27 Ų2766.2 Ų66.213%0.12636%0.359CS..  trans-63.5140.2175.8-58.1166.650.800109.8L723 F724 W734 D736 H739L723-Q726 PolarHBondContact O-NE2 2.75Å; F724-Q726 VanDerWaalsContact C-N 3.31Å; F724-Q726 PolarHBondContact O-N 3.37Å; Q726-W734 HydrophobicContact CB-CB 4.18Å; Q726-W734 PolarHBondContact O-N 3.43Å; Q726-D736 PolarHBondContact NE2-O 2.88Å; Q726-D736 VanDerWaalsContact NE2-O 3.17Å; Q726-H739 VanDerWaalsContact CD-CD2 3.42Å; Q726-H739 PolarHBondContact NE2-CD2 3.47Å; Q726-H739 VanDerWaalsContact NE2-CD2 3.34Å
727V91.3Very high91.3Very high97 Ų9769.7 Ų69.759%0.58838%0.378SS*.BIsolated β-bridgetrans-134.8155.7177.4-670000111T732V727-T732 CarbonylContact C-O 3.54Å; V727-T732 VanDerWaalsContact CA-O 3.28Å; V727-T732 WeakPolarHBondContact CA-O 3.39Å
728T90.7Very high91.2Very high41 Ų4171.1 Ų71.125%0.25239%0.39SS..  trans-81170.5171.269.70000111.7A730 G731 T732 W734T728-A730 PolarHBondContact O-N 3.39Å; T728-A730 VanDerWaalsContact O-N 3.09Å; T728-A730 PolarHBondContact OG1-N 2.93Å; T728-G731 PolarHBondContact O-N 3.5Å; T728-T732 WeakPolarHBondContact CG2-OG1 3.32Å; T728-T732 PolarHBondContact N-O 3.14Å; T728-T732 PolarHBondContact OG1-N 3.08Å; T728-T732 PolarHBondContact OG1-OG1 3.49Å; T728-W734 HydrophobicContact CG2-CB 4.15Å; T728-W734 HydrophobicContact CG2-CD2 4.28Å; T728-W734 HydrophobicContact CG2-CE3 3.59Å; T728-W734 HydrophobicContact CG2-CZ3 4.34Å
729E88.9Confident91.1Very high213 Ų21373.2 Ų73.2100%0.99540%0.399SS*.THydrogen-bonded Turntrans-55.8-22.2169.2-60.4179.2170.900113.4G731E729-G731 VanDerWaalsContact C-N 3.33Å
730A90.6Very high91Very high83 Ų8374.2 Ų74.269%0.68640%0.404SS*.THydrogen-bonded Turntrans-90.19175.300000113.5T728 T732T728-A730 PolarHBondContact O-N 3.39Å; T728-A730 VanDerWaalsContact O-N 3.09Å; T728-A730 PolarHBondContact OG1-N 2.93Å; A730-T732 PolarHBondContact O-N 2.92Å
731G87.4Confident90.9Very high56 Ų5673.2 Ų73.258%0.57740%0.402SS*.SBendtrans70.26.1-178.300000114.9T728 E729T728-G731 PolarHBondContact O-N 3.5Å; E729-G731 VanDerWaalsContact C-N 3.33Å
732T91.5Very high90.9Very high75 Ų7574.5 Ų74.546%0.4641%0.412SS..  trans-78142.6177.360.20000110.8V727 T728 A730 W734V727-T732 CarbonylContact C-O 3.54Å; V727-T732 VanDerWaalsContact CA-O 3.28Å; V727-T732 WeakPolarHBondContact CA-O 3.39Å; T728-T732 WeakPolarHBondContact CG2-OG1 3.32Å; T728-T732 PolarHBondContact N-O 3.14Å; T728-T732 PolarHBondContact OG1-N 3.08Å; T728-T732 PolarHBondContact OG1-OG1 3.49Å; A730-T732 PolarHBondContact O-N 2.92Å; T732-W734 PolarHBondContact O-N 2.93Å
733P91.8Very high91.1Very high113 Ų11371.9 Ų71.973%0.73440%0.401SS*.BIsolated β-bridgetrans-56.7133.2174.8-25.834.9000112
734W89.9Confident91.2Very high145 Ų14572 Ų7255%0.54940%0.401SS..  trans-114.6142.5176.5-177.5-96.7000109.1Q726 T728 T732Q726-W734 HydrophobicContact CB-CB 4.18Å; Q726-W734 PolarHBondContact O-N 3.43Å; T728-W734 HydrophobicContact CG2-CB 4.15Å; T728-W734 HydrophobicContact CG2-CD2 4.28Å; T728-W734 HydrophobicContact CG2-CE3 3.59Å; T728-W734 HydrophobicContact CG2-CZ3 4.34Å; T732-W734 PolarHBondContact O-N 2.93Å
735I88.9Confident91.2Very high154 Ų15469.7 Ų69.779%0.7939%0.393SS*.  trans-131.490.1-179.8-55179000107.8
736D87.7Confident91.3Very high57 Ų5767 Ų6731%0.30538%0.379SS..  trans-106.5120.9165.7177.734000111Q726 S738 H739 I740Q726-D736 PolarHBondContact NE2-O 2.88Å; Q726-D736 VanDerWaalsContact NE2-O 3.17Å; D736-S738 VanDerWaalsContact OD1-CB 3.22Å; D736-S738 WeakPolarHBondContact OD1-CB 3.44Å; D736-S738 PolarHBondContact OD1-N 3.36Å; D736-S738 WeakPolarHBondContact OD2-CB 3.4Å; D736-H739 HydrophobicContact CB-CB 4.3Å; D736-H739 WeakPolarHBondContact OD2-CB 3.4Å; D736-H739 PolarHBondContact OD2-N 3.35Å; D736-I740 WeakPolarHBondContact O-CG1 3.49Å
737L88.1Confident91.5Very high74 Ų7465.8 Ų65.839%0.38737%0.374SS..Hα-helixtrans-77.1-25.2174.5-174.263.2000111.9F350 I740 V741F350-L737 HydrophobicContact CE2-CD2 3.61Å; F350-L737 HydrophobicContact CZ-CD2 3.84Å; L737-I740 HydrophobicContact CD1-CB 4.31Å; L737-I740 HydrophobicContact CD1-CG2 4.4Å; L737-I740 PolarHBondContact O-N 2.96Å; L737-V741 HydrophobicContact CD1-CG2 4.18Å; L737-V741 HydrophobicContact CG-CG2 4.11Å; L737-V741 WeakPolarHBondContact O-CB 3.37Å; L737-V741 WeakPolarHBondContact O-CG2 3.44Å; L737-V741 PolarHBondContact O-N 3.06Å
738S88.6Confident91.7Very high43 Ų4363 Ų6330%0.30136%0.356SS..Hα-helixtrans-64.3-46.2175.9-1740000110.9D736 I740 S742D736-S738 VanDerWaalsContact OD1-CB 3.22Å; D736-S738 WeakPolarHBondContact OD1-CB 3.44Å; D736-S738 PolarHBondContact OD1-N 3.36Å; D736-S738 WeakPolarHBondContact OD2-CB 3.4Å; S738-I740 PolarHBondContact O-N 3.3Å; S738-S742 WeakPolarHBondContact O-CB 3.32Å; S738-S742 PolarHBondContact O-N 3.14Å
739H91.6Very high91.9Very high51 Ų5164.3 Ų64.324%0.23637%0.371CS..Hα-helixtrans-53.1-50.1168.1-179.576.6000112.2H722 Q726 D736 S742 C743H722-H739 AromaticContact CD2-NE2 3.97Å; H722-H739 AromaticContact CE1-CE1 4Å; H722-H739 AromaticContact NE2-CE1 3.54Å; H722-H739 AromaticContact NE2-NE2 3.81Å; H722-H739 PolarHBondContact O-NE2 3.21Å; Q726-H739 VanDerWaalsContact CD-CD2 3.42Å; Q726-H739 PolarHBondContact NE2-CD2 3.47Å; Q726-H739 VanDerWaalsContact NE2-CD2 3.34Å; D736-H739 HydrophobicContact CB-CB 4.3Å; D736-H739 WeakPolarHBondContact OD2-CB 3.4Å; D736-H739 PolarHBondContact OD2-N 3.35Å; H739-S742 PolarHBondContact O-N 2.86Å; H739-C743 PolarHBondContact CE1-SG 3.38Å; H739-C743 WeakPolarHBondContact O-CB 3.34Å; H739-C743 PolarHBondContact O-N 3.13Å; H739-C743 PolarHBondContact O-SG 3.3Å
740I93.2Very high92.2Very high21 Ų2155 Ų5511%0.10833%0.332CS..Hα-helixtrans-60.7-51.4-178.2-67.2165.8000111.5L723 F724 D736 L737 S738 S742 C743 L744L723-I740 HydrophobicContact CD1-CB 4.27Å; L723-I740 HydrophobicContact CD1-CG1 4.32Å; L723-I740 HydrophobicContact CD1-CG2 4.18Å; L723-I740 HydrophobicContact CG-CG1 4.36Å; L723-I740 HydrophobicContact CG-CG2 4.33Å; L723-I740 WeakPolarHBondContact O-CG1 3.33Å; F724-I740 HydrophobicContact CD1-CD1 3.9Å; F724-I740 HydrophobicContact CD1-CG1 4.29Å; F724-I740 HydrophobicContact CE1-CD1 4.14Å; F724-I740 HydrophobicContact CE1-CG1 4.44Å; F724-I740 HydrophobicContact CE1-CG2 4.06Å; D736-I740 WeakPolarHBondContact O-CG1 3.49Å; L737-I740 HydrophobicContact CD1-CB 4.31Å; L737-I740 HydrophobicContact CD1-CG2 4.4Å; L737-I740 PolarHBondContact O-N 2.96Å; S738-I740 PolarHBondContact O-N 3.3Å; I740-S742 PolarHBondContact O-N 3Å; I740-C743 PolarHBondContact O-N 3.39Å; I740-L744 HydrophobicContact CG2-CD1 3.78Å; I740-L744 WeakPolarHBondContact O-CB 3.45Å; I740-L744 VanDerWaalsContact O-CG 3.27Å; I740-L744 WeakPolarHBondContact O-CG 3.43Å; I740-L744 PolarHBondContact O-N 2.81Å
741V92.5Very high92.4Very high13 Ų1353.2 Ų53.28%0.07931%0.312CS..Hα-helixtrans-63.4-41.7179.7170.90000111F349 L685 L737 N745F349-V741 HydrophobicContact CD1-CB 4.29Å; F349-V741 HydrophobicContact CD1-CG1 3.76Å; F349-V741 HydrophobicContact CD1-CG2 4.39Å; F349-V741 HydrophobicContact CE1-CB 4.24Å; F349-V741 HydrophobicContact CE1-CG1 3.88Å; F349-V741 HydrophobicContact CG-CG1 4.46Å; F349-V741 HydrophobicContact CG-CG2 4.31Å; L685-V741 HydrophobicContact CD1-CG1 4.03Å; L685-V741 HydrophobicContact CD1-CG2 4.26Å; L737-V741 HydrophobicContact CD1-CG2 4.18Å; L737-V741 HydrophobicContact CG-CG2 4.11Å; L737-V741 WeakPolarHBondContact O-CB 3.37Å; L737-V741 WeakPolarHBondContact O-CG2 3.44Å; L737-V741 PolarHBondContact O-N 3.06Å; V741-N745 VanDerWaalsContact O-CB 3.29Å; V741-N745 WeakPolarHBondContact O-CB 3.42Å; V741-N745 VanDerWaalsContact O-CG 3.28Å; V741-N745 PolarHBondContact O-N 3.47Å; V741-N745 PolarHBondContact O-ND2 2.84Å
742S92.3Very high92.8Very high47 Ų4755.8 Ų55.833%0.32932%0.319SS..Hα-helixtrans-61.7-51.9176.8-174.70000111.8S738 H739 I740 L744 N745 K746S738-S742 WeakPolarHBondContact O-CB 3.32Å; S738-S742 PolarHBondContact O-N 3.14Å; H739-S742 PolarHBondContact O-N 2.86Å; I740-S742 PolarHBondContact O-N 3Å; S742-L744 PolarHBondContact O-N 3.15Å; S742-N745 PolarHBondContact O-N 3.26Å; S742-K746 VanDerWaalsContact O-CG 3.31Å; S742-K746 WeakPolarHBondContact O-CG 3.33Å; S742-K746 PolarHBondContact O-N 2.84Å; S742-K746 WeakPolarHBondContact OG-CE 3.4Å
743C95.4Very high93Very high3 Ų355.7 Ų55.72%0.0231%0.313CS..Hα-helixtrans-63.1-40.4-179.4-66.90000112.5F719 L723 H739 I740 K746 L747 Y770F719-C743 HydrophobicContact CE2-CB 4.4Å; F719-C743 HydrophobicContact CZ-CB 4.23Å; L723-C743 HydrophobicContact CD1-CB 3.56Å; H739-C743 PolarHBondContact CE1-SG 3.38Å; H739-C743 WeakPolarHBondContact O-CB 3.34Å; H739-C743 PolarHBondContact O-N 3.13Å; H739-C743 PolarHBondContact O-SG 3.3Å; I740-C743 PolarHBondContact O-N 3.39Å; C743-K746 PolarHBondContact O-N 3.05Å; C743-L747 WeakPolarHBondContact O-CB 3.35Å; C743-L747 PolarHBondContact O-N 2.84Å; C743-Y770 HydrophobicContact CB-CE1 4.24Å; C743-Y770 VanDerWaalsContact O-CE1 3.28Å; C743-Y770 WeakPolarHBondContact O-CE1 3.46Å; C743-Y770 PolarHBondContact SG-OH 2.92Å
744L95.9Very high93.2Very high3 Ų357.6 Ų57.62%0.01631%0.31CS..Hα-helixtrans-68.4-39.1176.2-70.5168.6000112.6L685 L689 L723 I740 S742 K746 L747 D748L685-L744 HydrophobicContact CD2-CB 3.38Å; L685-L744 HydrophobicContact CD2-CD1 4.07Å; L685-L744 HydrophobicContact CD2-CG 4.37Å; L689-L744 HydrophobicContact CD1-CD1 4.1Å; L689-L744 HydrophobicContact CD2-CD1 3.73Å; L689-L744 HydrophobicContact CD2-CD2 3.75Å; L689-L744 HydrophobicContact CD2-CG 4.37Å; L689-L744 HydrophobicContact CG-CD1 3.92Å; L689-L744 HydrophobicContact CG-CD2 4.48Å; L723-L744 HydrophobicContact CD1-CG 4.18Å; L723-L744 HydrophobicContact CD2-CD1 4.44Å; L723-L744 HydrophobicContact CD2-CD2 3.82Å; L723-L744 HydrophobicContact CD2-CG 4.08Å; I740-L744 HydrophobicContact CG2-CD1 3.78Å; I740-L744 WeakPolarHBondContact O-CB 3.45Å; I740-L744 VanDerWaalsContact O-CG 3.27Å; I740-L744 WeakPolarHBondContact O-CG 3.43Å; I740-L744 PolarHBondContact O-N 2.81Å; S742-L744 PolarHBondContact O-N 3.15Å; L744-K746 VanDerWaalsContact C-N 3.34Å; L744-L747 PolarHBondContact O-N 2.79Å; L744-D748 WeakPolarHBondContact O-CB 3.49Å; L744-D748 PolarHBondContact O-N 3.36Å
745N94.1Very high93.4Very high38 Ų3851.5 Ų51.520%0.20329%0.288CS..Hα-helixtrans-64.7-37.8173.9-79.8-31.9000111.8R684 V741 S742 A749R684-N745 PolarHBondContact NH2-OD1 3.14Å; V741-N745 VanDerWaalsContact O-CB 3.29Å; V741-N745 WeakPolarHBondContact O-CB 3.42Å; V741-N745 VanDerWaalsContact O-CG 3.28Å; V741-N745 PolarHBondContact O-N 3.47Å; V741-N745 PolarHBondContact O-ND2 2.84Å; S742-N745 PolarHBondContact O-N 3.26Å; N745-A749 WeakPolarHBondContact O-CB 3.03Å; N745-A749 PolarHBondContact O-N 3.12Å
746K95.8Very high93.7Very high52 Ų5247 Ų4723%0.22627%0.27CS..Hα-helixtrans-68.6-38.8174.6-69.2176.6-170.7-1640112.7S742 C743 L744 G750 V751 E753 Y770S742-K746 VanDerWaalsContact O-CG 3.31Å; S742-K746 WeakPolarHBondContact O-CG 3.33Å; S742-K746 PolarHBondContact O-N 2.84Å; S742-K746 WeakPolarHBondContact OG-CE 3.4Å; C743-K746 PolarHBondContact O-N 3.05Å; L744-K746 VanDerWaalsContact C-N 3.34Å; K746-G750 PolarHBondContact O-N 2.87Å; K746-V751 HydrophobicContact CB-CB 4.48Å; K746-V751 HydrophobicContact CB-CG2 4.09Å; K746-V751 HydrophobicContact CG-CG2 4.22Å; K746-V751 PolarHBondContact O-N 3.26Å; K746-V751 VanDerWaalsContact O-N 3.14Å; K746-E753 WeakPolarHBondContact CE-OE2 3.08Å; K746-E753 IonicContact NZ-OE1 3.75Å; K746-E753 PolarHBondContact NZ-OE1 3.07Å; K746-E753 IonicContact NZ-OE2 3.48Å; K746-E753 PolarHBondContact NZ-OE2 2.96Å; K746-Y770 HydrophobicContact CB-CD1 3.68Å; K746-Y770 HydrophobicContact CB-CD2 3.79Å; K746-Y770 HydrophobicContact CB-CE1 3.67Å; K746-Y770 HydrophobicContact CB-CE2 3.8Å; K746-Y770 HydrophobicContact CB-CG 3.72Å; K746-Y770 HydrophobicContact CD-CD2 4.22Å; K746-Y770 HydrophobicContact CD-CE1 4.5Å; K746-Y770 HydrophobicContact CD-CE2 3.57Å; K746-Y770 HydrophobicContact CG-CE2 4.32Å; K746-Y770 WeakPolarHBondContact O-CB 3.36Å
747L96.1Very high94Very high2 Ų244.3 Ų44.31%0.0126%0.256CS..Hα-helixtrans-62.1-49.2172.9-179.967.3000111.2F719 C743 L744 A749 G750 Y770 L773 K774F719-L747 HydrophobicContact CD1-CD2 4.4Å; F719-L747 HydrophobicContact CE1-CD2 3.72Å; F719-L747 HydrophobicContact CZ-CB 4.36Å; F719-L747 HydrophobicContact CZ-CD2 4.24Å; C743-L747 WeakPolarHBondContact O-CB 3.35Å; C743-L747 PolarHBondContact O-N 2.84Å; L744-L747 PolarHBondContact O-N 2.79Å; L747-A749 PolarHBondContact O-N 3.12Å; L747-G750 PolarHBondContact O-N 2.66Å; L747-G750 VanDerWaalsContact O-N 3.08Å; L747-Y770 HydrophobicContact CB-CD1 4.08Å; L747-L773 HydrophobicContact CD1-CB 3.68Å; L747-K774 HydrophobicContact CD1-CB 4.27Å; L747-K774 WeakPolarHBondContact O-CD 3.44Å
748D94.9Very high94.1Very high39 Ų3944.2 Ų44.221%0.20926%0.258CS..Hα-helixtrans-63.4-41.3-179.5-171.371.8000112.6R684 L688 L744 G750 K774R684-D748 VanDerWaalsContact CD-OD2 3.25Å; R684-D748 WeakPolarHBondContact CD-OD2 3.49Å; R684-D748 IonicContact CZ-OD2 2.74Å; R684-D748 IonicContact NE-OD2 2.68Å; R684-D748 PolarHBondContact NE-OD2 3.36Å; R684-D748 IonicContact NH1-OD2 2.67Å; R684-D748 PolarHBondContact NH1-OD2 3.25Å; L688-D748 HydrophobicContact CD1-CB 3.66Å; L744-D748 WeakPolarHBondContact O-CB 3.49Å; L744-D748 PolarHBondContact O-N 3.36Å; D748-G750 VanDerWaalsContact C-N 3.27Å; D748-G750 PolarHBondContact O-N 3.49Å; D748-K774 PolarHBondContact O-NZ 3.01Å
749A94.8Very high94.2Very high68 Ų6842.4 Ų42.456%0.56225%0.245SC*.Hα-helixtrans-69.8-23.1174.100000113N745 L747 V751N745-A749 WeakPolarHBondContact O-CB 3.03Å; N745-A749 PolarHBondContact O-N 3.12Å; L747-A749 PolarHBondContact O-N 3.12Å; A749-V751 HydrophobicContact CB-CG2 3.86Å
750G94.6Very high93.9Very high17 Ų1747.2 Ų47.218%0.17526%0.261CS..THydrogen-bonded Turntrans66.647.5-174.700000112.2K746 L747 D748 S771K746-G750 PolarHBondContact O-N 2.87Å; L747-G750 PolarHBondContact O-N 2.66Å; L747-G750 VanDerWaalsContact O-N 3.08Å; D748-G750 VanDerWaalsContact C-N 3.27Å; D748-G750 PolarHBondContact O-N 3.49Å; G750-S771 VanDerWaalsContact O-CB 3.25Å; G750-S771 WeakPolarHBondContact O-CB 3.46Å
751V95.8Very high93.5Very high46 Ų4650 Ų5028%0.27928%0.277SS..  trans-65.8140.4-174.6-1740000111.1K746 A749 E753 Y770 S771K746-V751 HydrophobicContact CB-CB 4.48Å; K746-V751 HydrophobicContact CB-CG2 4.09Å; K746-V751 HydrophobicContact CG-CG2 4.22Å; K746-V751 PolarHBondContact O-N 3.26Å; K746-V751 VanDerWaalsContact O-N 3.14Å; A749-V751 HydrophobicContact CB-CG2 3.86Å; V751-E753 HydrophobicContact CB-CB 4.4Å; V751-E753 HydrophobicContact CG1-CB 3.76Å; V751-E753 PolarHBondContact O-N 3.01Å; V751-Y770 WeakPolarHBondContact O-CB 3.3Å; V751-Y770 PolarHBondContact O-N 3.41Å; V751-S771 PolarHBondContact O-N 2.96Å; V751-S771 VanDerWaalsContact O-N 3.16Å
752P95.1Very high93.1Very high110 Ų11057.4 Ų57.471%0.71431%0.31SS*.  trans-73.218.9173.831.7-37.3000114.1
753E95.1Very high92.9Very high74 Ų7462.9 Ų62.935%0.34633%0.328SS..  trans-75.6134.7174179.1-174.6130.800109.5K746 V751 T769 Y770K746-E753 WeakPolarHBondContact CE-OE2 3.08Å; K746-E753 IonicContact NZ-OE1 3.75Å; K746-E753 PolarHBondContact NZ-OE1 3.07Å; K746-E753 IonicContact NZ-OE2 3.48Å; K746-E753 PolarHBondContact NZ-OE2 2.96Å; V751-E753 HydrophobicContact CB-CB 4.4Å; V751-E753 HydrophobicContact CG1-CB 3.76Å; V751-E753 PolarHBondContact O-N 3.01Å; E753-T769 WeakPolarHBondContact O-CA 3.14Å; E753-T769 WeakPolarHBondContact O-CB 3.31Å; E753-Y770 HydrophobicContact CB-CD2 4.1Å; E753-Y770 HydrophobicContact CB-CE2 4.39Å; E753-Y770 HydrophobicContact CG-CD2 4.49Å; E753-Y770 HydrophobicContact CG-CE2 4.3Å; E753-Y770 PolarHBondContact O-N 2.82Å; E753-Y770 VanDerWaalsContact O-N 3.16Å
754K96Very high92.5Very high153 Ų15365.8 Ų65.867%0.66535%0.348SS*.EExtended strand (participates in β ladder)trans-90.2136.3178.2-68.9-179.8178.7-174.10111.2V767 V768 T769K754-V767 HydrophobicContact CB-CG1 4.03Å; K754-V767 HydrophobicContact CD-CG1 4.04Å; K754-V767 HydrophobicContact CG-CG1 4.36Å; K754-V768 CarbonylContact C-O 3.56Å; K754-V768 WeakPolarHBondContact CA-O 3.44Å; K754-T769 HydrophobicContact CG-CG2 3.68Å
755I96.1Very high92.3Very high16 Ų1669.8 Ų69.88%0.08237%0.373CS..EExtended strand (participates in β ladder)trans-120.8159.916963.3173.6000111.1F719 L757 V767 V768 Y770 L773F719-I755 HydrophobicContact CD2-CD1 3.8Å; F719-I755 HydrophobicContact CE2-CD1 4.01Å; I755-L757 HydrophobicContact CD1-CD2 3.86Å; I755-L757 HydrophobicContact CD1-CG 4.38Å; I755-L757 HydrophobicContact CG1-CD2 4.34Å; I755-L757 HydrophobicContact CG1-CG 4.43Å; I755-V767 WeakPolarHBondContact O-CA 3.36Å; I755-V768 HydrophobicContact CG1-CG2 4.21Å; I755-V768 PolarHBondContact N-O 2.93Å; I755-V768 PolarHBondContact O-N 3.19Å; I755-V768 VanDerWaalsContact O-N 3.13Å; I755-Y770 HydrophobicContact CD1-CE1 4.29Å; I755-Y770 HydrophobicContact CG2-CD2 4.25Å; I755-Y770 HydrophobicContact CG2-CE2 3.39Å; I755-L773 HydrophobicContact CD1-CD1 3.73Å; I755-L773 HydrophobicContact CG1-CD1 4.27Å
756S94.5Very high92.2Very high60 Ų6071.1 Ų71.142%0.4238%0.38SS..EExtended strand (participates in β ladder)trans-103.1119.5176.9-169.70000109.6V765S756-V765 WeakPolarHBondContact OG-CG1 3.22Å
757L93.9Very high92.2Very high1 Ų173.2 Ų73.21%0.00540%0.396CS..EExtended strand (participates in β ladder)trans-109.1120176.4-62.5-175.9000109.1L718 F719 H722 I755 L766 V768 L773L718-L757 HydrophobicContact CB-CB 4.02Å; L718-L757 HydrophobicContact CB-CD1 4.17Å; L718-L757 HydrophobicContact CD1-CB 4.25Å; F719-L757 HydrophobicContact CB-CD1 4.27Å; H722-L757 HydrophobicContact CB-CD2 3.6Å; I755-L757 HydrophobicContact CD1-CD2 3.86Å; I755-L757 HydrophobicContact CD1-CG 4.38Å; I755-L757 HydrophobicContact CG1-CD2 4.34Å; I755-L757 HydrophobicContact CG1-CG 4.43Å; L757-L766 PolarHBondContact N-O 3.49Å; L757-L766 PolarHBondContact O-N 3.06Å; L757-V768 HydrophobicContact CD1-CG2 3.64Å; L757-V768 HydrophobicContact CG-CG2 4.07Å; L757-L773 HydrophobicContact CD1-CD1 4.4Å; L757-L773 HydrophobicContact CD1-CD2 4.12Å
758V90.9Very high92.2Very high72 Ų7274 Ų7444%0.43640%0.401SS..EExtended strand (participates in β ladder)trans-104138.2-175.7-172.10000109.6S764 V765V758-S764 WeakPolarHBondContact CA-O 3.37Å; V758-V765 HydrophobicContact CG1-CG2 4.38Å; V758-V765 HydrophobicContact CG2-CG2 4.3Å
759S89Confident92.2Very high4 Ų472.9 Ų72.93%0.02840%0.396CS..  trans-68.6152.4174.161.40000111.6D761 E762 K763 S764S759-D761 VanDerWaalsContact CB-OD1 3.29Å; S759-D761 WeakPolarHBondContact CB-OD1 3.23Å; S759-D761 PolarHBondContact O-N 3.14Å; S759-D761 PolarHBondContact OG-OD1 2.61Å; S759-E762 WeakPolarHBondContact O-CA 3.45Å; S759-E762 PolarHBondContact O-N 2.85Å; S759-K763 PolarHBondContact OG-N 3.38Å; S759-S764 PolarHBondContact N-O 3.19Å; S759-S764 WeakPolarHBondContact OG-CB 3.29Å; S759-S764 PolarHBondContact OG-N 2.66Å; S759-S764 PolarHBondContact OG-O 2.77Å
760R85.1Confident92.3Very high153 Ų15369.8 Ų69.858%0.57737%0.37SS*.THydrogen-bonded Turntrans-61.8-15.1-179.2-69.6-177.6174.7-178-5.3115.3E697 D721E697-R760 IonicContact OE1-NH2 3.19Å; E697-R760 PolarHBondContact OE1-NH2 3.2Å; D721-R760 IonicContact OD1-NH2 3.93Å; D721-R760 PolarHBondContact OD1-NH2 3.44Å; D721-R760 IonicContact OD2-CZ 2.84Å; D721-R760 VanDerWaalsContact OD2-CZ 3.29Å; D721-R760 IonicContact OD2-NE 2.67Å; D721-R760 PolarHBondContact OD2-NE 2.68Å; D721-R760 IonicContact OD2-NH2 2.67Å; D721-R760 PolarHBondContact OD2-NH2 3.48Å
761D86.3Confident92.4Very high80 Ų8070.9 Ų70.943%0.42838%0.375SS..THydrogen-bonded Turntrans-100.77175.174.9-31.5000112.8S759 K763S759-D761 VanDerWaalsContact CB-OD1 3.29Å; S759-D761 WeakPolarHBondContact CB-OD1 3.23Å; S759-D761 PolarHBondContact O-N 3.14Å; S759-D761 PolarHBondContact OG-OD1 2.61Å; D761-K763 WeakPolarHBondContact O-CG 3.43Å; D761-K763 PolarHBondContact O-N 2.74Å; D761-K763 PolarHBondContact OD1-N 3.43Å; D761-K763 WeakPolarHBondContact OD2-CD 3.27Å; D761-K763 WeakPolarHBondContact OD2-CG 3.48Å; D761-K763 IonicContact OD2-NZ 3.22Å; D761-K763 PolarHBondContact OD2-NZ 2.95Å
762E84.2Confident92.5Very high168 Ų16871 Ų7179%0.78537%0.374SS*.SBendtrans60.24.2178.5-58.2-178.8172.400115.8S759S759-E762 WeakPolarHBondContact O-CA 3.45Å; S759-E762 PolarHBondContact O-N 2.85Å
763K87.8Confident92.5Very high161 Ų16165.8 Ų65.870%0.734%0.34SS*.SBendtrans-82.1-21.1-177.1-56.5-165.2-160.683.10114.6S759 D761S759-K763 PolarHBondContact OG-N 3.38Å; D761-K763 WeakPolarHBondContact O-CG 3.43Å; D761-K763 PolarHBondContact O-N 2.74Å; D761-K763 PolarHBondContact OD1-N 3.43Å; D761-K763 WeakPolarHBondContact OD2-CD 3.27Å; D761-K763 WeakPolarHBondContact OD2-CG 3.48Å; D761-K763 IonicContact OD2-NZ 3.22Å; D761-K763 PolarHBondContact OD2-NZ 2.95Å
764S87.5Confident92.6Very high64 Ų6465.4 Ų65.445%0.44834%0.337SS..  trans-125.4134.8-174.6-570000111.4V758 S759V758-S764 WeakPolarHBondContact CA-O 3.37Å; S759-S764 PolarHBondContact N-O 3.19Å; S759-S764 WeakPolarHBondContact OG-CB 3.29Å; S759-S764 PolarHBondContact OG-N 2.66Å; S759-S764 PolarHBondContact OG-O 2.77Å
765V91.6Very high92.6Very high87 Ų8766.1 Ų66.153%0.52734%0.335SS..EExtended strand (participates in β ladder)trans-126.6119.4177.4-176.80000108.7S756 V758S756-V765 WeakPolarHBondContact OG-CG1 3.22Å; V758-V765 HydrophobicContact CG1-CG2 4.38Å; V758-V765 HydrophobicContact CG2-CG2 4.3Å
766L92.2Very high92.6Very high67 Ų6765.9 Ų65.935%0.35134%0.335SS..EExtended strand (participates in β ladder)trans-110.7121.1-178.6-60.3179.1000109.5L715 L718 L757L715-L766 HydrophobicContact CD2-CD1 3.7Å; L718-L766 HydrophobicContact CD1-CD1 4.13Å; L757-L766 PolarHBondContact N-O 3.49Å; L757-L766 PolarHBondContact O-N 3.06Å
767V94.8Very high92.6Very high95 Ų9563.1 Ų63.158%0.57632%0.316SS*.EExtended strand (participates in β ladder)trans-99.8111.5177.5-178.10000109.2K754 I755K754-V767 HydrophobicContact CB-CG1 4.03Å; K754-V767 HydrophobicContact CD-CG1 4.04Å; K754-V767 HydrophobicContact CG-CG1 4.36Å; I755-V767 WeakPolarHBondContact O-CA 3.36Å
768V95.5Very high92.7Very high19 Ų1965.9 Ų65.912%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-129.5155.6-175-64.70000110.7L715 K754 I755 L757 L773L715-V768 HydrophobicContact CD2-CG1 4.14Å; K754-V768 CarbonylContact C-O 3.56Å; K754-V768 WeakPolarHBondContact CA-O 3.44Å; I755-V768 HydrophobicContact CG1-CG2 4.21Å; I755-V768 PolarHBondContact N-O 2.93Å; I755-V768 PolarHBondContact O-N 3.19Å; I755-V768 VanDerWaalsContact O-N 3.13Å; L757-V768 HydrophobicContact CD1-CG2 3.64Å; L757-V768 HydrophobicContact CG-CG2 4.07Å; V768-L773 HydrophobicContact CG2-CD1 3.8Å; V768-L773 HydrophobicContact CG2-CD2 4.11Å; V768-L773 HydrophobicContact CG2-CG 3.84Å
769T96.4Very high92.9Very high15 Ų1565.3 Ų65.39%0.09233%0.329CS..EExtended strand (participates in β ladder)trans-90.4159.4170.169.70000112.4E753 K754 S771 D772 L773E753-T769 WeakPolarHBondContact O-CA 3.14Å; E753-T769 WeakPolarHBondContact O-CB 3.31Å; K754-T769 HydrophobicContact CG-CG2 3.68Å; T769-S771 PolarHBondContact O-N 3.34Å; T769-S771 PolarHBondContact OG1-N 3.17Å; T769-S771 PolarHBondContact OG1-OG 3.33Å; T769-D772 WeakPolarHBondContact CB-OD2 3.35Å; T769-D772 PolarHBondContact N-OD2 3.47Å; T769-D772 WeakPolarHBondContact O-CB 3.17Å; T769-D772 PolarHBondContact O-N 2.86Å; T769-D772 VanDerWaalsContact O-N 3.11Å; T769-D772 PolarHBondContact OG1-N 3.12Å; T769-D772 VanDerWaalsContact OG1-N 3.09Å; T769-D772 PolarHBondContact OG1-OD2 3.49Å; T769-L773 PolarHBondContact O-N 3.12Å
770Y96.9Very high93.1Very high4 Ų465.1 Ų65.12%0.01633%0.328CS..Hα-helixtrans-61.7-26.1168.8-69.9-87.9000112.5F719 C743 K746 L747 V751 E753 I755 K774F719-Y770 HydrophobicContact CE2-CD1 4.37Å; F719-Y770 AromaticContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CE2-CE1 3.81Å; F719-Y770 HydrophobicContact CZ-CE1 4.26Å; C743-Y770 HydrophobicContact CB-CE1 4.24Å; C743-Y770 VanDerWaalsContact O-CE1 3.28Å; C743-Y770 WeakPolarHBondContact O-CE1 3.46Å; C743-Y770 PolarHBondContact SG-OH 2.92Å; K746-Y770 HydrophobicContact CB-CD1 3.68Å; K746-Y770 HydrophobicContact CB-CD2 3.79Å; K746-Y770 HydrophobicContact CB-CE1 3.67Å; K746-Y770 HydrophobicContact CB-CE2 3.8Å; K746-Y770 HydrophobicContact CB-CG 3.72Å; K746-Y770 HydrophobicContact CD-CD2 4.22Å; K746-Y770 HydrophobicContact CD-CE1 4.5Å; K746-Y770 HydrophobicContact CD-CE2 3.57Å; K746-Y770 HydrophobicContact CG-CE2 4.32Å; K746-Y770 WeakPolarHBondContact O-CB 3.36Å; L747-Y770 HydrophobicContact CB-CD1 4.08Å; V751-Y770 WeakPolarHBondContact O-CB 3.3Å; V751-Y770 PolarHBondContact O-N 3.41Å; E753-Y770 HydrophobicContact CB-CD2 4.1Å; E753-Y770 HydrophobicContact CB-CE2 4.39Å; E753-Y770 HydrophobicContact CG-CD2 4.49Å; E753-Y770 HydrophobicContact CG-CE2 4.3Å; E753-Y770 PolarHBondContact O-N 2.82Å; E753-Y770 VanDerWaalsContact O-N 3.16Å; I755-Y770 HydrophobicContact CD1-CE1 4.29Å; I755-Y770 HydrophobicContact CG2-CD2 4.25Å; I755-Y770 HydrophobicContact CG2-CE2 3.39Å; Y770-K774 WeakPolarHBondContact O-CB 3.39Å; Y770-K774 PolarHBondContact O-N 3.23Å
771S96.9Very high93.5Very high40 Ų4059.7 Ų59.728%0.2831%0.309SS..Hα-helixtrans-71-32.9172.980.90000113.1G750 V751 T769 R775G750-S771 VanDerWaalsContact O-CB 3.25Å; G750-S771 WeakPolarHBondContact O-CB 3.46Å; V751-S771 PolarHBondContact O-N 2.96Å; V751-S771 VanDerWaalsContact O-N 3.16Å; T769-S771 PolarHBondContact O-N 3.34Å; T769-S771 PolarHBondContact OG1-N 3.17Å; T769-S771 PolarHBondContact OG1-OG 3.33Å; S771-R775 WeakPolarHBondContact O-CG 3.44Å; S771-R775 PolarHBondContact O-N 3.12Å
772D96.1Very high93.8Very high49 Ų4962.3 Ų62.326%0.26232%0.318SS..Hα-helixtrans-67.9-48.5171-56.1-49.4000110.6T769 K774 R775 C776T769-D772 WeakPolarHBondContact CB-OD2 3.35Å; T769-D772 PolarHBondContact N-OD2 3.47Å; T769-D772 WeakPolarHBondContact O-CB 3.17Å; T769-D772 PolarHBondContact O-N 2.86Å; T769-D772 VanDerWaalsContact O-N 3.11Å; T769-D772 PolarHBondContact OG1-N 3.12Å; T769-D772 VanDerWaalsContact OG1-N 3.09Å; T769-D772 PolarHBondContact OG1-OD2 3.49Å; D772-K774 VanDerWaalsContact C-N 3.31Å; D772-K774 PolarHBondContact O-N 3.04Å; D772-R775 WeakPolarHBondContact O-CB 3.13Å; D772-R775 PolarHBondContact O-N 3.03Å; D772-R775 VanDerWaalsContact O-N 3.14Å; D772-R775 IonicContact OD1-CZ 3.6Å; D772-R775 IonicContact OD1-NH2 2.7Å; D772-R775 PolarHBondContact OD1-NH2 3.48Å; D772-C776 PolarHBondContact O-N 3.46Å; D772-C776 PolarHBondContact O-SG 2.75Å
773L96.3Very high94.2Very high0 Ų056.1 Ų56.10%029%0.29CS..Hα-helixtrans-62-37.4178.4-71.7169.1000112.4L715 F719 L747 I755 L757 V768 T769 C776 F777L715-L773 HydrophobicContact CB-CD2 4.05Å; F719-L773 HydrophobicContact CB-CD1 4.35Å; F719-L773 HydrophobicContact CB-CD2 4.16Å; F719-L773 HydrophobicContact CD2-CD1 3.69Å; F719-L773 HydrophobicContact CE2-CD1 4.31Å; F719-L773 HydrophobicContact CG-CD1 4.13Å; L747-L773 HydrophobicContact CD1-CB 3.68Å; I755-L773 HydrophobicContact CD1-CD1 3.73Å; I755-L773 HydrophobicContact CG1-CD1 4.27Å; L757-L773 HydrophobicContact CD1-CD1 4.4Å; L757-L773 HydrophobicContact CD1-CD2 4.12Å; V768-L773 HydrophobicContact CG2-CD1 3.8Å; V768-L773 HydrophobicContact CG2-CD2 4.11Å; V768-L773 HydrophobicContact CG2-CG 3.84Å; T769-L773 PolarHBondContact O-N 3.12Å; L773-C776 WeakPolarHBondContact O-CB 3.48Å; L773-C776 PolarHBondContact O-N 2.91Å; L773-F777 VanDerWaalsContact O-CB 3.23Å; L773-F777 WeakPolarHBondContact O-CB 3.42Å; L773-F777 PolarHBondContact O-N 2.57Å
774K96.7Very high94.3Very high66 Ų6649 Ų4929%0.28726%0.259SS..Hα-helixtrans-62.4-42.8173.9-174175.1-177.3171.10111.7L747 D748 Y770 D772 F777 D778L747-K774 HydrophobicContact CD1-CB 4.27Å; L747-K774 WeakPolarHBondContact O-CD 3.44Å; D748-K774 PolarHBondContact O-NZ 3.01Å; Y770-K774 WeakPolarHBondContact O-CB 3.39Å; Y770-K774 PolarHBondContact O-N 3.23Å; D772-K774 VanDerWaalsContact C-N 3.31Å; D772-K774 PolarHBondContact O-N 3.04Å; K774-F777 PolarHBondContact O-N 3.49Å; K774-D778 WeakPolarHBondContact CE-OD2 3.24Å; K774-D778 PolarHBondContact O-N 3.01Å
775R96.4Very high94.5Very high167 Ų16750.9 Ų50.963%0.6326%0.261SS*.Hα-helixtrans-62-44.8175.9-70.5-175.6-65.4153.3-2.9111.6S771 D772 F777 S779S771-R775 WeakPolarHBondContact O-CG 3.44Å; S771-R775 PolarHBondContact O-N 3.12Å; D772-R775 WeakPolarHBondContact O-CB 3.13Å; D772-R775 PolarHBondContact O-N 3.03Å; D772-R775 VanDerWaalsContact O-N 3.14Å; D772-R775 IonicContact OD1-CZ 3.6Å; D772-R775 IonicContact OD1-NH2 2.7Å; D772-R775 PolarHBondContact OD1-NH2 3.48Å; R775-F777 VanDerWaalsContact C-N 3.33Å; R775-F777 PolarHBondContact O-N 3.35Å; R775-S779 WeakPolarHBondContact O-CB 3.41Å; R775-S779 PolarHBondContact O-N 2.87Å
776C95.3Very high94.5Very high11 Ų1148.1 Ų48.17%0.07425%0.247CC..Hα-helixtrans-57.6-46.3174.1-60.50000111.4D712 L716 D772 L773 T780D712-C776 HydrophobicContact CB-CB 3.87Å; L716-C776 HydrophobicContact CD2-CB 4.21Å; L716-C776 HydrophobicContact CG-CB 4.29Å; D772-C776 PolarHBondContact O-N 3.46Å; D772-C776 PolarHBondContact O-SG 2.75Å; L773-C776 WeakPolarHBondContact O-CB 3.48Å; L773-C776 PolarHBondContact O-N 2.91Å; C776-T780 VanDerWaalsContact O-CB 3.25Å; C776-T780 WeakPolarHBondContact O-CB 3.34Å; C776-T780 PolarHBondContact O-N 3.28Å; C776-T780 PolarHBondContact O-OG1 2.89Å
777F95.7Very high94.3Very high3 Ų346.3 Ų46.31%0.01324%0.242CC..Hα-helixtrans-64.8-53.7-177.7174.9-103.6000113.3L688 K691 L692 I695 L716 L773 K774 R775 F781L688-F777 HydrophobicContact CD2-CE1 3.69Å; L688-F777 HydrophobicContact CD2-CZ 3.83Å; K691-F777 HydrophobicContact CB-CE1 4.44Å; K691-F777 HydrophobicContact CB-CE2 3.78Å; K691-F777 HydrophobicContact CB-CZ 3.47Å; K691-F777 VanDerWaalsContact CB-CZ 3.47Å; K691-F777 HydrophobicContact CD-CE1 3.58Å; K691-F777 HydrophobicContact CD-CE2 4.4Å; K691-F777 HydrophobicContact CD-CZ 3.42Å; K691-F777 VanDerWaalsContact CD-CZ 3.42Å; K691-F777 HydrophobicContact CG-CZ 4.12Å; L692-F777 HydrophobicContact CB-CE2 4.09Å; L692-F777 HydrophobicContact CD1-CD2 4.4Å; L692-F777 HydrophobicContact CD1-CE2 4.41Å; I695-F777 HydrophobicContact CD1-CD2 4.07Å; I695-F777 HydrophobicContact CD1-CE2 4.37Å; L716-F777 HydrophobicContact CD1-CB 4.44Å; L716-F777 HydrophobicContact CD2-CB 3.79Å; L716-F777 HydrophobicContact CD2-CD2 4.43Å; L773-F777 VanDerWaalsContact O-CB 3.23Å; L773-F777 WeakPolarHBondContact O-CB 3.42Å; L773-F777 PolarHBondContact O-N 2.57Å; K774-F777 PolarHBondContact O-N 3.49Å; R775-F777 VanDerWaalsContact C-N 3.33Å; R775-F777 PolarHBondContact O-N 3.35Å; F777-F781 WeakPolarHBondContact O-CB 3.46Å; F777-F781 PolarHBondContact O-N 2.88Å
778D95.5Very high94Very high58 Ų5846.2 Ų46.231%0.3125%0.251SS..Hα-helixtrans-69.2-36.4-178.3-76.6-40.8000111.3K691 K774 F781 Q782K691-D778 IonicContact NZ-OD1 3.76Å; K691-D778 PolarHBondContact NZ-OD1 3.06Å; K691-D778 VanDerWaalsContact NZ-OD1 3.14Å; K774-D778 WeakPolarHBondContact CE-OD2 3.24Å; K774-D778 PolarHBondContact O-N 3.01Å; D778-F781 PolarHBondContact O-N 3.39Å; D778-Q782 VanDerWaalsContact O-CB 3.32Å; D778-Q782 WeakPolarHBondContact O-CB 3.49Å; D778-Q782 PolarHBondContact O-N 3.42Å
779S94.4Very high93.6Very high60 Ų6048.9 Ų48.942%0.4228%0.275SS..Hα-helixtrans-59.6-54172.6-179.10000112R775 F781 Q782 E783R775-S779 WeakPolarHBondContact O-CB 3.41Å; R775-S779 PolarHBondContact O-N 2.87Å; S779-F781 VanDerWaalsContact C-N 3.3Å; S779-F781 PolarHBondContact O-N 3.29Å; S779-Q782 WeakPolarHBondContact O-CB 3.46Å; S779-Q782 PolarHBondContact O-N 3.48Å; S779-Q782 VanDerWaalsContact O-N 3.07Å; S779-E783 PolarHBondContact O-N 3.3Å
780T93.2Very high92.7Very high0 Ų051.3 Ų51.30%030%0.303CS..Hα-helixtrans-62.8-36.5179.5-560000111.7I695 W707 R713 L716 C776 L784I695-T780 HydrophobicContact CB-CG2 4.45Å; I695-T780 HydrophobicContact CD1-CG2 4.15Å; I695-T780 HydrophobicContact CG1-CG2 4.05Å; I695-T780 HydrophobicContact CG2-CG2 3.59Å; W707-T780 HydrophobicContact CH2-CG2 3.44Å; W707-T780 VanDerWaalsContact CH2-CG2 3.44Å; W707-T780 HydrophobicContact CZ2-CG2 3.7Å; W707-T780 HydrophobicContact CZ3-CG2 4.44Å; R713-T780 HydrophobicContact CG-CG2 3.65Å; L716-T780 HydrophobicContact CD1-CG2 4.44Å; C776-T780 VanDerWaalsContact O-CB 3.25Å; C776-T780 WeakPolarHBondContact O-CB 3.34Å; C776-T780 PolarHBondContact O-N 3.28Å; C776-T780 PolarHBondContact O-OG1 2.89Å; T780-L784 WeakPolarHBondContact O-CG 3.29Å; T780-L784 PolarHBondContact O-N 3.11Å
781F93.5Very high91.2Very high39 Ų3955.3 Ų55.317%0.17133%0.332CS..Hα-helixtrans-73.4-26.3175.9-164.1-109.2000113.1K691 T694 I695 F777 D778 S779 Q785K691-F781 HydrophobicContact CB-CD2 4.08Å; K691-F781 HydrophobicContact CB-CE2 4.15Å; K691-F781 HydrophobicContact CB-CG 4.44Å; K691-F781 HydrophobicContact CD-CD1 3.9Å; K691-F781 HydrophobicContact CD-CE1 4.13Å; K691-F781 HydrophobicContact CD-CG 4.14Å; K691-F781 HydrophobicContact CG-CD1 3.95Å; K691-F781 HydrophobicContact CG-CD2 3.96Å; K691-F781 HydrophobicContact CG-CE1 3.81Å; K691-F781 HydrophobicContact CG-CE2 3.82Å; K691-F781 HydrophobicContact CG-CG 4.04Å; K691-F781 HydrophobicContact CG-CZ 3.75Å; T694-F781 HydrophobicContact CG2-CE2 4.21Å; I695-F781 HydrophobicContact CD1-CB 4.18Å; I695-F781 HydrophobicContact CD1-CD2 4.39Å; I695-F781 HydrophobicContact CG1-CD2 4.44Å; F777-F781 WeakPolarHBondContact O-CB 3.46Å; F777-F781 PolarHBondContact O-N 2.88Å; D778-F781 PolarHBondContact O-N 3.39Å; S779-F781 VanDerWaalsContact C-N 3.3Å; S779-F781 PolarHBondContact O-N 3.29Å; F781-Q785 HydrophobicContact CD1-CG 4.43Å; F781-Q785 HydrophobicContact CE1-CG 4.09Å; F781-Q785 HydrophobicContact CZ-CG 4.48Å; F781-Q785 WeakPolarHBondContact O-CG 3.46Å; F781-Q785 PolarHBondContact O-N 2.97Å; F781-Q785 PolarHBondContact O-NE2 3.21Å
782Q94.1Very high89.2Confident135 Ų13560 Ų6063%0.63135%0.353SS*.Hα-helixtrans-74.6-38.7175.1-172.9171.93.100111.9D778 S779 Q785 A786D778-Q782 VanDerWaalsContact O-CB 3.32Å; D778-Q782 WeakPolarHBondContact O-CB 3.49Å; D778-Q782 PolarHBondContact O-N 3.42Å; S779-Q782 WeakPolarHBondContact O-CB 3.46Å; S779-Q782 PolarHBondContact O-N 3.48Å; S779-Q782 VanDerWaalsContact O-N 3.07Å; Q782-Q785 PolarHBondContact O-N 2.64Å; Q782-A786 WeakPolarHBondContact O-CB 3.28Å; Q782-A786 PolarHBondContact O-N 3.35Å
783E91.1Very high88.9Confident38 Ų3860.6 Ų60.618%0.17836%0.358CS..Hα-helixtrans-55.3-50.4170.6177.5-173.7-171.500111.6F701 W707 R713 S779 Q785 A786 A787 L792F701-E783 HydrophobicContact CE1-CG 3.86Å; F701-E783 HydrophobicContact CZ-CG 4.12Å; W707-E783 WeakPolarHBondContact CZ2-OE2 3.28Å; W707-E783 PolarHBondContact NE1-OE1 3.04Å; R713-E783 IonicContact CZ-OE2 2.68Å; R713-E783 IonicContact NE-OE2 3.44Å; R713-E783 PolarHBondContact NE-OE2 2.81Å; R713-E783 IonicContact NH2-OE1 2.77Å; R713-E783 IonicContact NH2-OE2 3.29Å; R713-E783 PolarHBondContact NH2-OE2 2.86Å; S779-E783 PolarHBondContact O-N 3.3Å; E783-Q785 VanDerWaalsContact C-N 3.33Å; E783-Q785 PolarHBondContact O-N 3.48Å; E783-A786 PolarHBondContact O-N 2.89Å; E783-A787 PolarHBondContact O-N 2.88Å; E783-L792 HydrophobicContact CG-CD1 4.24Å; E783-L792 WeakPolarHBondContact O-CD1 3.35Å
784L90.3Very high88.5Confident11 Ų1163.8 Ų63.86%0.05838%0.377CS..Hα-helixtrans-61.5-38.5177.5-68.5-178.3000113T694 I695 F701 W707 T780 A788T694-L784 HydrophobicContact CG2-CD1 4.26Å; T694-L784 WeakPolarHBondContact O-CD1 3.43Å; I695-L784 HydrophobicContact CG1-CD1 3.84Å; F701-L784 HydrophobicContact CD2-CD2 3.61Å; F701-L784 HydrophobicContact CE2-CD2 3.45Å; F701-L784 VanDerWaalsContact CE2-CD2 3.45Å; F701-L784 HydrophobicContact CG-CD2 4.23Å; F701-L784 HydrophobicContact CZ-CD2 3.92Å; W707-L784 HydrophobicContact CH2-CD1 3.84Å; W707-L784 HydrophobicContact CH2-CD2 3.55Å; W707-L784 HydrophobicContact CH2-CG 3.73Å; W707-L784 HydrophobicContact CZ2-CD2 3.8Å; W707-L784 HydrophobicContact CZ2-CG 4.11Å; W707-L784 HydrophobicContact CZ3-CD2 4.22Å; T780-L784 WeakPolarHBondContact O-CG 3.29Å; T780-L784 PolarHBondContact O-N 3.11Å; L784-A788 WeakPolarHBondContact O-CB 3.44Å; L784-A788 PolarHBondContact O-N 2.75Å
785Q92.2Very high88.1Confident105 Ų10563.7 Ų63.749%0.49138%0.381SS..Hα-helixtrans-67-42.9174.7-79.1171.789.200112.3F781 Q782 E783 A787 A788 A789F781-Q785 HydrophobicContact CD1-CG 4.43Å; F781-Q785 HydrophobicContact CE1-CG 4.09Å; F781-Q785 HydrophobicContact CZ-CG 4.48Å; F781-Q785 WeakPolarHBondContact O-CG 3.46Å; F781-Q785 PolarHBondContact O-N 2.97Å; F781-Q785 PolarHBondContact O-NE2 3.21Å; Q782-Q785 PolarHBondContact O-N 2.64Å; E783-Q785 VanDerWaalsContact C-N 3.33Å; E783-Q785 PolarHBondContact O-N 3.48Å; Q785-A787 PolarHBondContact O-N 2.99Å; Q785-A788 PolarHBondContact O-N 3.09Å; Q785-A789 WeakPolarHBondContact O-CB 3.33Å; Q785-A789 PolarHBondContact O-N 3.2Å
786A91.2Very high87.6Confident29 Ų2957.6 Ų57.624%0.2437%0.367CS..Hα-helixtrans-64.6-41-178.900000111.5Q782 E783 A789 G790 S791 L792Q782-A786 WeakPolarHBondContact O-CB 3.28Å; Q782-A786 PolarHBondContact O-N 3.35Å; E783-A786 PolarHBondContact O-N 2.89Å; A786-A789 CarbonylContact O-C 3.53Å; A786-A789 PolarHBondContact O-N 2.93Å; A786-G790 PolarHBondContact O-N 3.38Å; A786-S791 WeakPolarHBondContact O-CA 3.37Å; A786-S791 WeakPolarHBondContact O-CB 3.42Å; A786-S791 PolarHBondContact O-N 3.35Å; A786-L792 HydrophobicContact CB-CD1 3.76Å; A786-L792 HydrophobicContact CB-CG 3.77Å
787A88.2Confident87.1Confident29 Ų2960.5 Ų60.524%0.2439%0.385CS..Hα-helixtrans-65.3-41.3171.700000112.6F701 E783 Q785 A789 G790 L792F701-A787 HydrophobicContact CE2-CB 3.66Å; F701-A787 HydrophobicContact CZ-CB 3.5Å; F701-A787 VanDerWaalsContact CZ-CB 3.5Å; E783-A787 PolarHBondContact O-N 2.88Å; Q785-A787 PolarHBondContact O-N 2.99Å; A787-A789 PolarHBondContact O-N 2.93Å; A787-G790 PolarHBondContact O-N 3.1Å; A787-L792 HydrophobicContact CB-CB 4.32Å; A787-L792 HydrophobicContact CB-CD1 4.32Å
788A87.7Confident86.5Confident93 Ų9364.3 Ų64.377%0.76941%0.41SS*.Hα-helixtrans-63.7-28.1175.200000113.2L784 Q785 G790L784-A788 WeakPolarHBondContact O-CB 3.44Å; L784-A788 PolarHBondContact O-N 2.75Å; Q785-A788 PolarHBondContact O-N 3.09Å; A788-G790 VanDerWaalsContact C-N 3.33Å
789A87.4Confident85.9Confident74 Ų7464.8 Ų64.861%0.61242%0.417SS*.THydrogen-bonded Turntrans-84.60.7173.400000114Q785 A786 A787 S791Q785-A789 WeakPolarHBondContact O-CB 3.33Å; Q785-A789 PolarHBondContact O-N 3.2Å; A786-A789 CarbonylContact O-C 3.53Å; A786-A789 PolarHBondContact O-N 2.93Å; A787-A789 PolarHBondContact O-N 2.93Å; A789-S791 VanDerWaalsContact C-N 3.28Å; A789-S791 PolarHBondContact O-N 3.24Å
790G78.3Confident85.2Confident67 Ų6765.2 Ų65.269%0.69142%0.417SS*.THydrogen-bonded Turntrans66.427.5-175.900000114A786 A787 A788A786-G790 PolarHBondContact O-N 3.38Å; A787-G790 PolarHBondContact O-N 3.1Å; A788-G790 VanDerWaalsContact C-N 3.33Å
791S63.8Low84.5Confident87 Ų8770.6 Ų70.661%0.60845%0.452SS*.  trans-102.58.3-179.6-55.40000113.6A786 A789A786-S791 WeakPolarHBondContact O-CA 3.37Å; A786-S791 WeakPolarHBondContact O-CB 3.42Å; A786-S791 PolarHBondContact O-N 3.35Å; A789-S791 VanDerWaalsContact C-N 3.28Å; A789-S791 PolarHBondContact O-N 3.24Å
792L56.7Low83.7Confident140 Ų14073.5 Ų73.573%0.73348%0.477SS*.  trans-137.70173.6-67.5178.1000109.7E783 A786 A787E783-L792 HydrophobicContact CG-CD1 4.24Å; E783-L792 WeakPolarHBondContact O-CD1 3.35Å; A786-L792 HydrophobicContact CB-CD1 3.76Å; A786-L792 HydrophobicContact CB-CG 3.77Å; A787-L792 HydrophobicContact CB-CB 4.32Å; A787-L792 HydrophobicContact CB-CD1 4.32Å

Retrieved 792 of 792 residues in 242 ms (Link to these results)