A0A087Y5U3_POEFO Loading...

THAP domain-containing protein 1

DNA-binding transcription regulator that regulates endothelial cell proliferation and G1/S cell-cycle progression. Specifically binds the 5'-[AT]NTNN[GT]GGCA[AGT]-3' core DNA sequence and acts by modulating expression of pRB-E2F cell-cycle target genes.

AlphaFold DB , UniProt , Accession A0A087Y5U3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.5Very low49.5Very low246 Ų246128.4 Ų128.4100%1.21261%0.607SS**  0105.50-73.9159.9169.800108.3
2G33.8Very low50Low59 Ų59122.7 Ų122.761%0.60859%0.587SS**PPolyproline II helixtrans-82.3138.5179.500000111.3
3R41.3Very low50.3Low244 Ų244116.6 Ų116.692%0.92157%0.565SS**PPolyproline II helixtrans-76.8127.6-174.3-63.7169.1175.2158.2-4.8111
4Y48Very low50.5Low145 Ų145117.4 Ų117.457%0.56958%0.581SS**PPolyproline II helixtrans-99.6127.1168.2-56.9-68.7000109F48Y4-F48 HydrophobicContact CD1-CB 4.08Å; Y4-F48 WeakPolarHBondContact CD1-O 3.5Å; Y4-F48 HydrophobicContact CE1-CB 3.38Å; Y4-F48 HydrophobicContact CE1-CG 4.24Å; Y4-F48 HydrophobicContact CE2-CB 4.43Å
5K50.8Low51Low184 Ų184115.1 Ų115.180%0.857%0.571SS**PPolyproline II helixtrans-99.4135.6174.6-75.3-170.1169.8-168.40110
6C52.8Low51.5Low15 Ų15115.7 Ų115.710%0.10159%0.586CS.*  trans-67.8-168.9160.138.80000110.5C10 S13 L51C6-C10 HydrophobicContact CB-CB 3.84Å; C6-C10 WeakPolarHBondContact CB-SG 3.41Å; C6-C10 WeakPolarHBondContact SG-CB 3.45Å; C6-C10 CovalentContact SG-SG 2.05Å; C6-C10 PolarHBondContact SG-SG 2.82Å; C6-S13 WeakPolarHBondContact SG-CB 3.47Å; C6-L51 HydrophobicContact CB-CD1 4.32Å
7A58Low52.1Low13 Ų13117.9 Ų117.911%0.10760%0.6CS.*SBendtrans-51.1162.8-17400000114.4N9 C10 M38 L51 F79A7-N9 PolarHBondContact O-N 3.46Å; A7-C10 WeakPolarHBondContact O-CB 3.49Å; A7-C10 PolarHBondContact O-N 3.46Å; A7-M38 HydrophobicContact CB-CE 4.05Å; A7-L51 HydrophobicContact CB-CD1 4.22Å; A7-F79 HydrophobicContact CB-CD1 4.03Å; A7-F79 HydrophobicContact CB-CE1 3.74Å
8Y54.1Low53.2Low182 Ų182112.7 Ų112.771%0.71458%0.575SS**THydrogen-bonded Turntrans-51.7127.4-178.8-157.8-90.6000111C10 L82Y8-C10 VanDerWaalsContact C-N 3.32Å; Y8-C10 PolarHBondContact O-N 2.73Å; Y8-L82 HydrophobicContact CE1-CD1 4.47Å
9N53.1Low54.4Low135 Ų135111.8 Ų111.872%0.72257%0.567SS**THydrogen-bonded Turntrans58.927.7-175.4-59.7-9.8000116.7A7 E11A7-N9 PolarHBondContact O-N 3.46Å; N9-E11 PolarHBondContact O-N 3.07Å
10C62.2Low55.5Low17 Ų17110.9 Ų110.912%0.11556%0.559CS.*  trans-68.990.7171.31770000112.7C6 A7 Y8 T12 S13 C52C6-C10 HydrophobicContact CB-CB 3.84Å; C6-C10 WeakPolarHBondContact CB-SG 3.41Å; C6-C10 WeakPolarHBondContact SG-CB 3.45Å; C6-C10 CovalentContact SG-SG 2.05Å; C6-C10 PolarHBondContact SG-SG 2.82Å; A7-C10 WeakPolarHBondContact O-CB 3.49Å; A7-C10 PolarHBondContact O-N 3.46Å; Y8-C10 VanDerWaalsContact C-N 3.32Å; Y8-C10 PolarHBondContact O-N 2.73Å; C10-T12 VanDerWaalsContact C-N 3.34Å; C10-S13 WeakPolarHBondContact O-CB 3.4Å; C10-S13 PolarHBondContact O-N 3.36Å; C10-S13 PolarHBondContact O-OG 3.36Å; C10-C52 PolarHBondContact SG-SG 3.19Å
11E55.4Low56.7Low172 Ų172107.2 Ų107.280%0.80454%0.539SS*.G310 helixtrans-71.6-24.5178.4-66.1-174.6168.900113.6N9 S13 T14N9-E11 PolarHBondContact O-N 3.07Å; E11-S13 PolarHBondContact O-N 2.86Å; E11-T14 PolarHBondContact O-OG1 2.86Å; E11-T14 VanDerWaalsContact O-OG1 3.12Å
12T55.5Low58.9Low60 Ų60103.1 Ų103.137%0.36852%0.515SS..G310 helixtrans-68.11.7173.4350000114C10 T14 S54C10-T12 VanDerWaalsContact C-N 3.34Å; T12-T14 VanDerWaalsContact C-N 3.26Å; T12-T14 PolarHBondContact O-N 3.18Å; T12-S54 PolarHBondContact OG1-OG 3.48Å; T12-S54 VanDerWaalsContact OG1-OG 3.1Å
13S53.7Low61.1Low44 Ų44101 Ų10131%0.30849%0.489SS..G310 helixtrans-73.2-12.217781.40000115.2C6 C10 E11C6-S13 WeakPolarHBondContact SG-CB 3.47Å; C10-S13 WeakPolarHBondContact O-CB 3.4Å; C10-S13 PolarHBondContact O-N 3.36Å; C10-S13 PolarHBondContact O-OG 3.36Å; E11-S13 PolarHBondContact O-N 2.86Å
14T52.6Low62.9Low127 Ų12790.5 Ų90.578%0.77945%0.452SS*.G310 helixtrans-103-2.8-176.441.90000114.5E11 T12E11-T14 PolarHBondContact O-OG1 2.86Å; E11-T14 VanDerWaalsContact O-OG1 3.12Å; T12-T14 VanDerWaalsContact C-N 3.26Å; T12-T14 PolarHBondContact O-N 3.18Å
15D58.9Low64.1Low83 Ų8386.7 Ų86.744%0.44444%0.441SS..  trans-86.9125177.9-173.9-30.7000110.2D17 V18D15-D17 VanDerWaalsContact C-N 3.3Å; D15-D17 PolarHBondContact O-N 2.79Å; D15-D17 PolarHBondContact OD1-N 3.39Å; D15-V18 HydrophobicContact CB-CG2 3.77Å; D15-V18 PolarHBondContact O-N 2.88Å
16P58.4Low65Low125 Ų12588.1 Ų88.181%0.81244%0.443SS*.THydrogen-bonded Turntrans-67-21.1-176.327.4-35.5000115.1
17D62.2Low66.2Low153 Ų15390.9 Ų90.982%0.81846%0.457SS*.THydrogen-bonded Turntrans-91.3-0.7-178-90-19.9000113.8D15 K19D15-D17 VanDerWaalsContact C-N 3.3Å; D15-D17 PolarHBondContact O-N 2.79Å; D15-D17 PolarHBondContact OD1-N 3.39Å; D17-K19 PolarHBondContact O-N 3.11Å
18V71.2Confident67Low25 Ų2594.7 Ų94.715%0.15248%0.481CS..  trans-76.1122.3-179.6171.30000111.6D15 F20 C52 I53D15-V18 HydrophobicContact CB-CG2 3.77Å; D15-V18 PolarHBondContact O-N 2.88Å; V18-F20 HydrophobicContact CB-CE2 4.48Å; V18-F20 HydrophobicContact CG1-CE2 4.32Å; V18-F20 HydrophobicContact CG1-CZ 4.17Å; V18-F20 WeakPolarHBondContact O-CD2 3.07Å; V18-F20 WeakPolarHBondContact O-CE2 3.39Å; V18-C52 HydrophobicContact CG1-CB 3.47Å; V18-C52 VanDerWaalsContact CG1-CB 3.47Å; V18-I53 HydrophobicContact CG1-CG2 4.42Å
19K75.6Confident67.9Low95 Ų9596.2 Ų96.241%0.41349%0.485SS..  trans-77.5138.2174.9-71.6-176.9177.8-179.30111.9D17 C52 I53 V68D17-K19 PolarHBondContact O-N 3.11Å; K19-C52 CarbonylContact O-C 3.56Å; K19-C52 WeakPolarHBondContact O-CA 3.16Å; K19-I53 PolarHBondContact O-N 3.29Å; K19-V68 HydrophobicContact CD-CB 4.03Å; K19-V68 HydrophobicContact CD-CG2 4.49Å
20F77.5Confident69.1Low94 Ų9491.1 Ų91.141%0.41246%0.457SS..EExtended strand (participates in β ladder)trans-114.6129.2179.2-64-88.3000111.2V18 A50 L51 C52V18-F20 HydrophobicContact CB-CE2 4.48Å; V18-F20 HydrophobicContact CG1-CE2 4.32Å; V18-F20 HydrophobicContact CG1-CZ 4.17Å; V18-F20 WeakPolarHBondContact O-CD2 3.07Å; V18-F20 WeakPolarHBondContact O-CE2 3.39Å; F20-A50 HydrophobicContact CB-CB 4Å; F20-L51 WeakPolarHBondContact CA-O 3.22Å; F20-C52 HydrophobicContact CD1-CB 3.97Å; F20-C52 HydrophobicContact CE1-CB 3.86Å
21F79.9Confident70Confident33 Ų3391.7 Ų91.715%0.14546%0.458CS..EExtended strand (participates in β ladder)trans-104.1130.8175.9-62.8-75000110.4W34 A50 L51 I53 F56 L70F21-W34 HydrophobicContact CB-CH2 4.39Å; F21-A50 CarbonylContact O-C 3.41Å; F21-A50 VanDerWaalsContact O-CA 3.27Å; F21-A50 WeakPolarHBondContact O-CA 3.36Å; F21-A50 WeakPolarHBondContact O-CB 3.41Å; F21-L51 PolarHBondContact N-O 2.84Å; F21-L51 PolarHBondContact O-N 3.05Å; F21-I53 HydrophobicContact CD2-CB 4.41Å; F21-I53 HydrophobicContact CE2-CB 3.8Å; F21-I53 HydrophobicContact CE2-CD1 3.92Å; F21-I53 HydrophobicContact CE2-CG1 3.82Å; F21-I53 HydrophobicContact CZ-CD1 4.26Å; F21-F56 HydrophobicContact CD2-CE2 4.33Å; F21-L70 HydrophobicContact CB-CD1 3.77Å; F21-L70 HydrophobicContact CD1-CD1 3.92Å; F21-L70 HydrophobicContact CD1-CG 3.9Å; F21-L70 HydrophobicContact CD2-CD1 3.54Å; F21-L70 HydrophobicContact CD2-CD2 4.28Å; F21-L70 HydrophobicContact CD2-CG 3.75Å; F21-L70 HydrophobicContact CE1-CD1 4.42Å; F21-L70 HydrophobicContact CE1-CG 3.9Å; F21-L70 HydrophobicContact CE2-CD1 4.06Å; F21-L70 HydrophobicContact CE2-CD2 4Å; F21-L70 HydrophobicContact CE2-CG 3.72Å; F21-L70 HydrophobicContact CG-CD1 3.45Å; F21-L70 VanDerWaalsContact CG-CD1 3.45Å; F21-L70 HydrophobicContact CG-CG 3.83Å; F21-L70 HydrophobicContact CZ-CD1 4.48Å; F21-L70 HydrophobicContact CZ-CD2 4.32Å; F21-L70 HydrophobicContact CZ-CG 3.81Å
22K81.3Confident71.1Confident161 Ų16191.4 Ų91.470%0.745%0.454SS*.EExtended strand (participates in β ladder)trans-70.4150.8176.8-63.3-177.4-177.3175.10110.4
23F80.1Confident72.3Confident13 Ų1394.9 Ų94.96%0.05746%0.464CS..  trans-63.4141174.6-78.2-100.5000111L25 L31 W34 L35 M38 W43 P45 S49 L51F23-L25 HydrophobicContact CB-CD2 4.09Å; F23-L25 HydrophobicContact CB-CG 4.41Å; F23-L25 PolarHBondContact O-N 2.88Å; F23-L31 HydrophobicContact CB-CD1 4.03Å; F23-L31 HydrophobicContact CD1-CD1 3.98Å; F23-W34 AromaticContact CD1-CE3 3.77Å; F23-W34 HydrophobicContact CD1-CE3 3.77Å; F23-W34 HydrophobicContact CD1-CZ3 4.37Å; F23-W34 AromaticContact CE1-CE3 3.98Å; F23-W34 HydrophobicContact CE1-CE3 3.98Å; F23-W34 HydrophobicContact CG-CE3 4.28Å; F23-W34 HydrophobicContact CG-CZ3 4.45Å; F23-L35 HydrophobicContact CE1-CD2 4.42Å; F23-M38 HydrophobicContact CE1-SD 3.54Å; F23-M38 VanDerWaalsContact CE1-SD 3.54Å; F23-M38 HydrophobicContact CZ-CE 3.93Å; F23-M38 HydrophobicContact CZ-SD 3.53Å; F23-M38 VanDerWaalsContact CZ-SD 3.53Å; F23-W43 HydrophobicContact CE1-CZ3 4.26Å; F23-W43 HydrophobicContact CE2-CH2 4.19Å; F23-W43 HydrophobicContact CZ-CH2 4.07Å; F23-W43 HydrophobicContact CZ-CZ3 4.03Å; F23-P45 HydrophobicContact CB-CB 3.94Å; F23-P45 HydrophobicContact CB-CG 4.33Å; F23-P45 HydrophobicContact CD1-CB 3.65Å; F23-P45 HydrophobicContact CD1-CG 3.87Å; F23-P45 HydrophobicContact CD2-CB 3.95Å; F23-P45 HydrophobicContact CE1-CB 4.12Å; F23-P45 HydrophobicContact CE1-CG 4.47Å; F23-P45 HydrophobicContact CE2-CB 4.4Å; F23-P45 HydrophobicContact CG-CB 3.55Å; F23-P45 HydrophobicContact CG-CG 4.14Å; F23-P45 HydrophobicContact CZ-CB 4.48Å; F23-S49 WeakPolarHBondContact CD2-O 3.41Å; F23-L51 HydrophobicContact CE2-CB 4.3Å; F23-L51 HydrophobicContact CZ-CB 4.38Å
24P78.7Confident73.7Confident24 Ų2493 Ų9316%0.15645%0.451CS..  trans-78.764.5-17833.2-36.9000111.3Y26 N27 K30 L31 W34P24-Y26 PolarHBondContact O-N 3.03Å; P24-Y26 VanDerWaalsContact O-N 3.1Å; P24-N27 HydrophobicContact CB-CB 4.43Å; P24-N27 CarbonylContact O-C 3.57Å; P24-N27 PolarHBondContact O-N 3Å; P24-K30 HydrophobicContact CB-CB 4.37Å; P24-K30 HydrophobicContact CB-CD 4.22Å; P24-K30 HydrophobicContact CB-CG 4.4Å; P24-K30 HydrophobicContact CG-CB 4.06Å; P24-K30 HydrophobicContact CG-CD 4.23Å; P24-K30 HydrophobicContact CG-CG 3.95Å; P24-L31 HydrophobicContact CG-CB 4.41Å; P24-L31 HydrophobicContact CG-CD1 4.28Å; P24-W34 HydrophobicContact CG-CD2 4.09Å; P24-W34 HydrophobicContact CG-CE3 4.45Å; P24-W34 HydrophobicContact CG-CG 4.43Å; P24-W34 HydrophobicContact CG-CZ2 4.38Å
25L74.2Confident75Confident65 Ų6589.3 Ų89.334%0.3443%0.426SS..THydrogen-bonded Turntrans-58.7-24.9-175.4-59.9-179.6000113.7F23 L31 P45 R47F23-L25 HydrophobicContact CB-CD2 4.09Å; F23-L25 HydrophobicContact CB-CG 4.41Å; F23-L25 PolarHBondContact O-N 2.88Å; L25-L31 HydrophobicContact CD2-CD1 4.17Å; L25-L31 HydrophobicContact CD2-CD2 4.17Å; L25-P45 HydrophobicContact CD2-CB 4.32Å; L25-P45 HydrophobicContact CD2-CG 4.01Å; L25-R47 HydrophobicContact CD1-CB 4.18Å
26Y70.5Confident75.8Confident214 Ų21489.5 Ų89.584%0.83943%0.433SS*.THydrogen-bonded Turntrans-85.7-8.5177.9-53.8-82.4000114P24P24-Y26 PolarHBondContact O-N 3.03Å; P24-Y26 VanDerWaalsContact O-N 3.1Å
27N77.6Confident76.7Confident73 Ų7385.9 Ų85.939%0.3941%0.407SS..  trans-122.288.8178.4-175.8-26.6000109.4P24 R29 K30 L31P24-N27 HydrophobicContact CB-CB 4.43Å; P24-N27 CarbonylContact O-C 3.57Å; P24-N27 PolarHBondContact O-N 3Å; N27-R29 PolarHBondContact O-N 3.4Å; N27-R29 PolarHBondContact OD1-N 3.17Å; N27-K30 HydrophobicContact CB-CB 4.07Å; N27-K30 PolarHBondContact O-N 2.58Å; N27-K30 VanDerWaalsContact O-N 3.14Å; N27-K30 PolarHBondContact OD1-N 3.03Å; N27-L31 WeakPolarHBondContact O-CB 3.34Å; N27-L31 PolarHBondContact O-N 2.93Å
28P73.6Confident77.3Confident93 Ų9379.6 Ų79.660%0.60437%0.373SS*.Hα-helixtrans-62.5-28.4-174.124.2-34000112.7K32P28-K32 VanDerWaalsContact O-CB 3.32Å; P28-K32 WeakPolarHBondContact O-CB 3.37Å; P28-K32 PolarHBondContact O-N 3.46Å
29R74.7Confident77.1Confident214 Ų21486.6 Ų86.681%0.80840%0.402SS*.Hα-helixtrans-67.7-45.8175.8-64.1-179179.2176.7-0.7111.4N27 K33N27-R29 PolarHBondContact O-N 3.4Å; N27-R29 PolarHBondContact OD1-N 3.17Å; R29-K33 WeakPolarHBondContact O-CG 3.49Å; R29-K33 PolarHBondContact O-N 2.72Å
30K78Confident76.5Confident29 Ų2985.4 Ų85.413%0.12640%0.399CS..Hα-helixtrans-68.5-39.6175.5-163.8173.8-175.3166.60111P24 N27 K33 W34 R71 D72 A74P24-K30 HydrophobicContact CB-CB 4.37Å; P24-K30 HydrophobicContact CB-CD 4.22Å; P24-K30 HydrophobicContact CB-CG 4.4Å; P24-K30 HydrophobicContact CG-CB 4.06Å; P24-K30 HydrophobicContact CG-CD 4.23Å; P24-K30 HydrophobicContact CG-CG 3.95Å; N27-K30 HydrophobicContact CB-CB 4.07Å; N27-K30 PolarHBondContact O-N 2.58Å; N27-K30 VanDerWaalsContact O-N 3.14Å; N27-K30 PolarHBondContact OD1-N 3.03Å; K30-K33 PolarHBondContact O-N 3.39Å; K30-W34 PolarHBondContact O-N 2.8Å; K30-R71 PolarHBondContact NZ-O 2.84Å; K30-D72 WeakPolarHBondContact CD-O 3.3Å; K30-D72 VanDerWaalsContact CE-O 3.22Å; K30-D72 WeakPolarHBondContact CE-O 3.37Å; K30-D72 PolarHBondContact NZ-O 3.11Å; K30-A74 WeakPolarHBondContact CE-O 3.34Å
31L79.7Confident75.4Confident29 Ų2989.4 Ų89.415%0.15242%0.417CS..Hα-helixtrans-61.8-46.6177.1-168.366.7000112.6F23 P24 L25 N27 K33 W34 L35 P45F23-L31 HydrophobicContact CB-CD1 4.03Å; F23-L31 HydrophobicContact CD1-CD1 3.98Å; P24-L31 HydrophobicContact CG-CB 4.41Å; P24-L31 HydrophobicContact CG-CD1 4.28Å; L25-L31 HydrophobicContact CD2-CD1 4.17Å; L25-L31 HydrophobicContact CD2-CD2 4.17Å; N27-L31 WeakPolarHBondContact O-CB 3.34Å; N27-L31 PolarHBondContact O-N 2.93Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 2.9Å; L31-W34 PolarHBondContact O-N 3.02Å; L31-W34 VanDerWaalsContact O-N 3.14Å; L31-L35 HydrophobicContact CG-CD1 4.18Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 2.83Å; L31-P45 HydrophobicContact CD1-CG 3.84Å
32K78.8Confident74.4Confident166 Ų16696 Ų9672%0.72245%0.454SS*.Hα-helixtrans-58.4-40.4176.4-172173.1-177.5175.70111.6P28 S36P28-K32 VanDerWaalsContact O-CB 3.32Å; P28-K32 WeakPolarHBondContact O-CB 3.37Å; P28-K32 PolarHBondContact O-N 3.46Å; K32-S36 VanDerWaalsContact O-CB 3.27Å; K32-S36 WeakPolarHBondContact O-CB 3.42Å; K32-S36 PolarHBondContact O-N 3.35Å
33K80.9Confident73.8Confident132 Ų13293.2 Ų93.257%0.57444%0.439SS*.Hα-helixtrans-64.3-44.4173.8-67.9-178.7179.8-172.80112.4R29 K30 L31 S36 N37 V75R29-K33 WeakPolarHBondContact O-CG 3.49Å; R29-K33 PolarHBondContact O-N 2.72Å; K30-K33 PolarHBondContact O-N 3.39Å; L31-K33 VanDerWaalsContact C-N 3.29Å; L31-K33 PolarHBondContact O-N 2.9Å; K33-S36 PolarHBondContact O-N 2.93Å; K33-N37 VanDerWaalsContact O-CG 3.32Å; K33-N37 PolarHBondContact O-N 3Å; K33-N37 VanDerWaalsContact O-N 3.15Å; K33-N37 PolarHBondContact O-OD1 2.87Å; K33-V75 HydrophobicContact CB-CG1 3.72Å; K33-V75 HydrophobicContact CD-CG1 4.02Å
34W82.5Confident73.2Confident6 Ų696.2 Ų96.22%0.02347%0.466CS..Hα-helixtrans-60.2-46.7177.3-76.534.6000111.8F21 F23 P24 K30 L31 N37 M38 L51 F56 L70 A74 P76F21-W34 HydrophobicContact CB-CH2 4.39Å; F23-W34 AromaticContact CD1-CE3 3.77Å; F23-W34 HydrophobicContact CD1-CE3 3.77Å; F23-W34 HydrophobicContact CD1-CZ3 4.37Å; F23-W34 AromaticContact CE1-CE3 3.98Å; F23-W34 HydrophobicContact CE1-CE3 3.98Å; F23-W34 HydrophobicContact CG-CE3 4.28Å; F23-W34 HydrophobicContact CG-CZ3 4.45Å; P24-W34 HydrophobicContact CG-CD2 4.09Å; P24-W34 HydrophobicContact CG-CE3 4.45Å; P24-W34 HydrophobicContact CG-CG 4.43Å; P24-W34 HydrophobicContact CG-CZ2 4.38Å; K30-W34 PolarHBondContact O-N 2.8Å; L31-W34 PolarHBondContact O-N 3.02Å; L31-W34 VanDerWaalsContact O-N 3.14Å; W34-N37 PolarHBondContact O-N 3.48Å; W34-M38 WeakPolarHBondContact O-CG 3.34Å; W34-M38 PolarHBondContact O-N 3.24Å; W34-M38 VanDerWaalsContact O-N 3.07Å; W34-L51 HydrophobicContact CZ3-CB 4.48Å; W34-F56 HydrophobicContact CD2-CZ 4.49Å; W34-F56 AromaticContact CE2-CE1 3.9Å; W34-F56 HydrophobicContact CE3-CZ 4.34Å; W34-F56 AromaticContact CH2-CE1 3.97Å; W34-F56 HydrophobicContact CH2-CE1 3.97Å; W34-F56 AromaticContact CH2-CZ 3.46Å; W34-F56 HydrophobicContact CH2-CZ 3.46Å; W34-F56 VanDerWaalsContact CH2-CZ 3.46Å; W34-F56 AromaticContact CZ2-CE1 3.57Å; W34-F56 HydrophobicContact CZ2-CE1 3.57Å; W34-F56 AromaticContact CZ2-CZ 3.58Å; W34-F56 HydrophobicContact CZ2-CZ 3.58Å; W34-F56 AromaticContact CZ3-CZ 3.86Å; W34-F56 HydrophobicContact CZ3-CZ 3.86Å; W34-L70 HydrophobicContact CH2-CD1 4.13Å; W34-L70 HydrophobicContact CZ2-CD1 4.12Å; W34-A74 PolarHBondContact NE1-O 3.02Å; W34-P76 HydrophobicContact CB-CG 4.19Å; W34-P76 HydrophobicContact CD2-CG 4.17Å; W34-P76 VanDerWaalsContact CG-CD 3.46Å; W34-P76 HydrophobicContact CG-CG 3.99Å
35L80.4Confident73Confident48 Ų4896 Ų9625%0.25146%0.464SS..Hα-helixtrans-67.6-41.1-179.8-65.5173.3000112.6F23 L31 N37 M38 K39 W43 P45F23-L35 HydrophobicContact CE1-CD2 4.42Å; L31-L35 HydrophobicContact CG-CD1 4.18Å; L31-L35 WeakPolarHBondContact O-CG 3.47Å; L31-L35 PolarHBondContact O-N 2.83Å; L35-N37 VanDerWaalsContact C-N 3.28Å; L35-N37 PolarHBondContact O-N 3.42Å; L35-M38 PolarHBondContact O-N 2.84Å; L35-K39 PolarHBondContact O-N 3.17Å; L35-W43 HydrophobicContact CD2-CE3 4.24Å; L35-W43 HydrophobicContact CD2-CZ3 4.21Å; L35-P45 HydrophobicContact CD1-CG 4.38Å; L35-P45 HydrophobicContact CD2-CG 4.07Å
36S76.8Confident72.8Confident87 Ų8796.4 Ų96.461%0.60847%0.469SS*.Hα-helixtrans-55-43.7174-172.70000111.9K32 K33K32-S36 VanDerWaalsContact O-CB 3.27Å; K32-S36 WeakPolarHBondContact O-CB 3.42Å; K32-S36 PolarHBondContact O-N 3.35Å; K33-S36 PolarHBondContact O-N 2.93Å
37N75.8Confident72.7Confident50 Ų5094.7 Ų94.727%0.26746%0.462SS..Hα-helixtrans-75.4-31.9-178.8-660.7000113K33 W34 L35 K39 P76 F79K33-N37 VanDerWaalsContact O-CG 3.32Å; K33-N37 PolarHBondContact O-N 3Å; K33-N37 VanDerWaalsContact O-N 3.15Å; K33-N37 PolarHBondContact O-OD1 2.87Å; W34-N37 PolarHBondContact O-N 3.48Å; L35-N37 VanDerWaalsContact C-N 3.28Å; L35-N37 PolarHBondContact O-N 3.42Å; N37-K39 PolarHBondContact O-N 3.02Å; N37-P76 WeakPolarHBondContact CB-O 3.18Å; N37-P76 PolarHBondContact ND2-O 2.8Å; N37-F79 HydrophobicContact CB-CE2 4.08Å; N37-F79 WeakPolarHBondContact O-CD2 3.13Å
38M75Confident72.2Confident21 Ų2196.2 Ų96.210%0.10347%0.465CS..Hα-helixtrans-69.3-16.9176.2-75.2-178.182.900114.2A7 F23 W34 L35 L40 L51 F79A7-M38 HydrophobicContact CB-CE 4.05Å; F23-M38 HydrophobicContact CE1-SD 3.54Å; F23-M38 VanDerWaalsContact CE1-SD 3.54Å; F23-M38 HydrophobicContact CZ-CE 3.93Å; F23-M38 HydrophobicContact CZ-SD 3.53Å; F23-M38 VanDerWaalsContact CZ-SD 3.53Å; W34-M38 WeakPolarHBondContact O-CG 3.34Å; W34-M38 PolarHBondContact O-N 3.24Å; W34-M38 VanDerWaalsContact O-N 3.07Å; L35-M38 PolarHBondContact O-N 2.84Å; M38-L40 HydrophobicContact CB-CD1 4.42Å; M38-L40 HydrophobicContact CE-CD1 3.81Å; M38-L40 PolarHBondContact O-N 3.5Å; M38-L51 HydrophobicContact CE-CD1 3.97Å; M38-L51 HydrophobicContact SD-CD2 4.49Å; M38-F79 HydrophobicContact CB-CZ 4.25Å; M38-F79 HydrophobicContact CG-CE1 3.86Å; M38-F79 HydrophobicContact CG-CE2 3.97Å; M38-F79 HydrophobicContact CG-CZ 3.34Å
39K66.8Low72.3Confident172 Ų17292.6 Ų92.675%0.74844%0.442SS*.THydrogen-bonded Turntrans54.920.1178.5-59.8176.4-176.3173.70115.1L35 N37 K41L35-K39 PolarHBondContact O-N 3.17Å; N37-K39 PolarHBondContact O-N 3.02Å; K39-K41 PolarHBondContact O-N 2.89Å
40L63.9Low72.4Confident69 Ų6983.5 Ų83.536%0.36141%0.412SS..  trans-76.3111.9171.5-84.1158.9000109.1M38 W43M38-L40 HydrophobicContact CB-CD1 4.42Å; M38-L40 HydrophobicContact CE-CD1 3.81Å; M38-L40 PolarHBondContact O-N 3.5Å; L40-W43 HydrophobicContact CB-CB 4.2Å; L40-W43 HydrophobicContact CD1-CD2 4.24Å; L40-W43 HydrophobicContact CD1-CE3 3.86Å; L40-W43 HydrophobicContact CD1-CZ3 4.4Å; L40-W43 HydrophobicContact CD2-CB 4.39Å
41K55.1Low72.5Confident179 Ų17982.1 Ų82.178%0.77841%0.406SS*.SBendtrans-75.7141.7163.1-65.2-171174.8-167.20108.8K39 W43K39-K41 PolarHBondContact O-N 2.89Å; K41-W43 VanDerWaalsContact C-N 3.31Å; K41-W43 PolarHBondContact O-N 3.46Å
42D58.1Low72.4Confident172 Ų17280.7 Ų80.792%0.9240%0.399SS*.SBendtrans6326.2167.6-38.6-42.6000116
43W67.9Low72.5Confident102 Ų10274.5 Ų74.539%0.38637%0.373SS..  trans-124.4128.7175-17682.2000113.1F23 L35 L40 K41 P45F23-W43 HydrophobicContact CE1-CZ3 4.26Å; F23-W43 HydrophobicContact CE2-CH2 4.19Å; F23-W43 HydrophobicContact CZ-CH2 4.07Å; F23-W43 HydrophobicContact CZ-CZ3 4.03Å; L35-W43 HydrophobicContact CD2-CE3 4.24Å; L35-W43 HydrophobicContact CD2-CZ3 4.21Å; L40-W43 HydrophobicContact CB-CB 4.2Å; L40-W43 HydrophobicContact CD1-CD2 4.24Å; L40-W43 HydrophobicContact CD1-CE3 3.86Å; L40-W43 HydrophobicContact CD1-CZ3 4.4Å; L40-W43 HydrophobicContact CD2-CB 4.39Å; K41-W43 VanDerWaalsContact C-N 3.31Å; K41-W43 PolarHBondContact O-N 3.46Å; W43-P45 HydrophobicContact CH2-CB 3.68Å; W43-P45 HydrophobicContact CZ3-CB 3.69Å; W43-P45 HydrophobicContact CZ3-CG 4.35Å
44A69.4Low72.2Confident75 Ų7570.4 Ų70.462%0.6236%0.361SS*.  trans-108.6131.6176.100000111.5
45P72.7Confident72.1Confident19 Ų1971 Ų7112%0.12337%0.365CS..  trans-74.2135.9179.428.1-31.1000111.3F23 L25 L31 L35 W43F23-P45 HydrophobicContact CB-CB 3.94Å; F23-P45 HydrophobicContact CB-CG 4.33Å; F23-P45 HydrophobicContact CD1-CB 3.65Å; F23-P45 HydrophobicContact CD1-CG 3.87Å; F23-P45 HydrophobicContact CD2-CB 3.95Å; F23-P45 HydrophobicContact CE1-CB 4.12Å; F23-P45 HydrophobicContact CE1-CG 4.47Å; F23-P45 HydrophobicContact CE2-CB 4.4Å; F23-P45 HydrophobicContact CG-CB 3.55Å; F23-P45 HydrophobicContact CG-CG 4.14Å; F23-P45 HydrophobicContact CZ-CB 4.48Å; L25-P45 HydrophobicContact CD2-CB 4.32Å; L25-P45 HydrophobicContact CD2-CG 4.01Å; L31-P45 HydrophobicContact CD1-CG 3.84Å; L35-P45 HydrophobicContact CD1-CG 4.38Å; L35-P45 HydrophobicContact CD2-CG 4.07Å; W43-P45 HydrophobicContact CH2-CB 3.68Å; W43-P45 HydrophobicContact CZ3-CB 3.69Å; W43-P45 HydrophobicContact CZ3-CG 4.35Å
46T70.6Confident72.2Confident74 Ų7469 Ų6945%0.45435%0.354SS..  trans-96.7169.4176.370.50000111.2F48 S49T46-F48 PolarHBondContact O-N 3.37Å; T46-F48 PolarHBondContact OG1-N 3.12Å; T46-S49 PolarHBondContact N-OG 3.36Å; T46-S49 VanDerWaalsContact O-CB 3.27Å; T46-S49 WeakPolarHBondContact O-CB 3.32Å; T46-S49 PolarHBondContact O-N 3.28Å; T46-S49 PolarHBondContact O-OG 3.43Å; T46-S49 PolarHBondContact OG1-N 2.91Å; T46-S49 PolarHBondContact OG1-OG 3.27Å; T46-S49 VanDerWaalsContact OG1-OG 3.09Å
47R68.5Low72.1Confident179 Ų17967.6 Ų67.668%0.67534%0.337SS*.THydrogen-bonded Turntrans-59.9-13.3175.277.4-177.9-154.31699.4115.2L25L25-R47 HydrophobicContact CD1-CB 4.18Å
48F67Low72Confident104 Ų10470 Ų7046%0.45635%0.347SS..THydrogen-bonded Turntrans-103.8-5.4176.7-52.3-75.2000112.8Y4 T46Y4-F48 HydrophobicContact CD1-CB 4.08Å; Y4-F48 WeakPolarHBondContact CD1-O 3.5Å; Y4-F48 HydrophobicContact CE1-CB 3.38Å; Y4-F48 HydrophobicContact CE1-CG 4.24Å; Y4-F48 HydrophobicContact CE2-CB 4.43Å; T46-F48 PolarHBondContact O-N 3.37Å; T46-F48 PolarHBondContact OG1-N 3.12Å
49S75.4Confident72.1Confident17 Ų1775.7 Ų75.712%0.11937%0.367CS..  trans-73.6136.3173.8-58.10000109.9F23 T46F23-S49 WeakPolarHBondContact CD2-O 3.41Å; T46-S49 PolarHBondContact N-OG 3.36Å; T46-S49 VanDerWaalsContact O-CB 3.27Å; T46-S49 WeakPolarHBondContact O-CB 3.32Å; T46-S49 PolarHBondContact O-N 3.28Å; T46-S49 PolarHBondContact O-OG 3.43Å; T46-S49 PolarHBondContact OG1-N 2.91Å; T46-S49 PolarHBondContact OG1-OG 3.27Å; T46-S49 VanDerWaalsContact OG1-OG 3.09Å
50A77.8Confident72.7Confident23 Ų2368.9 Ų68.919%0.1934%0.337CS..EExtended strand (participates in β ladder)trans-144.5153175.700000110.3F20 F21F20-A50 HydrophobicContact CB-CB 4Å; F21-A50 CarbonylContact O-C 3.41Å; F21-A50 VanDerWaalsContact O-CA 3.27Å; F21-A50 WeakPolarHBondContact O-CA 3.36Å; F21-A50 WeakPolarHBondContact O-CB 3.41Å
51L79.4Confident73.4Confident0 Ų066.4 Ų66.40%032%0.324CS..EExtended strand (participates in β ladder)trans-116.5133.3-179.9-165.364.4000108.6C6 A7 F20 F21 F23 W34 M38 H55 F56 P76 F79C6-L51 HydrophobicContact CB-CD1 4.32Å; A7-L51 HydrophobicContact CB-CD1 4.22Å; F20-L51 WeakPolarHBondContact CA-O 3.22Å; F21-L51 PolarHBondContact N-O 2.84Å; F21-L51 PolarHBondContact O-N 3.05Å; F23-L51 HydrophobicContact CE2-CB 4.3Å; F23-L51 HydrophobicContact CZ-CB 4.38Å; W34-L51 HydrophobicContact CZ3-CB 4.48Å; M38-L51 HydrophobicContact CE-CD1 3.97Å; M38-L51 HydrophobicContact SD-CD2 4.49Å; L51-H55 HydrophobicContact CD1-CB 4.38Å; L51-H55 WeakPolarHBondContact CD1-CD2 3.24Å; L51-H55 HydrophobicContact CD2-CB 3.93Å; L51-H55 HydrophobicContact CG-CB 4.01Å; L51-F56 HydrophobicContact CB-CE2 4.38Å; L51-F56 HydrophobicContact CD2-CE2 3.92Å; L51-F56 HydrophobicContact CD2-CZ 3.92Å; L51-F56 HydrophobicContact CG-CE2 4.22Å; L51-P76 HydrophobicContact CD2-CB 3.52Å; L51-P76 HydrophobicContact CD2-CG 3.71Å; L51-F79 HydrophobicContact CD2-CZ 4.26Å
52C77.8Confident74.4Confident0 Ų060.6 Ų60.60%030%0.302CS..EExtended strand (participates in β ladder)trans-69.3155.3177.350.10000111.7C10 V18 K19 F20 S54 H55C10-C52 PolarHBondContact SG-SG 3.19Å; V18-C52 HydrophobicContact CG1-CB 3.47Å; V18-C52 VanDerWaalsContact CG1-CB 3.47Å; K19-C52 CarbonylContact O-C 3.56Å; K19-C52 WeakPolarHBondContact O-CA 3.16Å; F20-C52 HydrophobicContact CD1-CB 3.97Å; F20-C52 HydrophobicContact CE1-CB 3.86Å; C52-S54 PolarHBondContact O-N 3.45Å; C52-S54 PolarHBondContact SG-OG 3.03Å; C52-H55 PolarHBondContact O-N 2.84Å; C52-H55 PolarHBondContact SG-CD2 3.14Å
53I80.4Confident75.5Confident36 Ų3660.1 Ų60.119%0.18529%0.287CS..G310 helixtrans-56.8-28.7179.6-170161.2000113.6V18 K19 F21 H55 F56 I61 V68V18-I53 HydrophobicContact CG1-CG2 4.42Å; K19-I53 PolarHBondContact O-N 3.29Å; F21-I53 HydrophobicContact CD2-CB 4.41Å; F21-I53 HydrophobicContact CE2-CB 3.8Å; F21-I53 HydrophobicContact CE2-CD1 3.92Å; F21-I53 HydrophobicContact CE2-CG1 3.82Å; F21-I53 HydrophobicContact CZ-CD1 4.26Å; I53-H55 PolarHBondContact O-N 3.3Å; I53-H55 VanDerWaalsContact O-N 3.11Å; I53-F56 PolarHBondContact O-N 3.25Å; I53-I61 HydrophobicContact CD1-CD1 3.98Å; I53-I61 HydrophobicContact CD1-CG1 4.47Å; I53-I61 HydrophobicContact CD1-CG2 3.99Å; I53-I61 HydrophobicContact CG1-CD1 3.6Å; I53-I61 HydrophobicContact CG1-CG1 4.31Å; I53-V68 HydrophobicContact CD1-CG1 3.68Å
54S74.8Confident75.7Confident46 Ų4662.1 Ų62.132%0.32231%0.311SS..G310 helixtrans-66-9.9-178.750.80000115.2T12 C52T12-S54 PolarHBondContact OG1-OG 3.48Å; T12-S54 VanDerWaalsContact OG1-OG 3.1Å; C52-S54 PolarHBondContact O-N 3.45Å; C52-S54 PolarHBondContact SG-OG 3.03Å
55H79.7Confident75.4Confident19 Ų1960.9 Ų60.99%0.08831%0.306CS..G310 helixtrans-88.1-5.2172.9-68.8-61000114.1L51 C52 I53 P76 T77 I78 F79L51-H55 HydrophobicContact CD1-CB 4.38Å; L51-H55 WeakPolarHBondContact CD1-CD2 3.24Å; L51-H55 HydrophobicContact CD2-CB 3.93Å; L51-H55 HydrophobicContact CG-CB 4.01Å; C52-H55 PolarHBondContact O-N 2.84Å; C52-H55 PolarHBondContact SG-CD2 3.14Å; I53-H55 PolarHBondContact O-N 3.3Å; I53-H55 VanDerWaalsContact O-N 3.11Å; H55-P76 HydrophobicContact CB-CB 4.05Å; H55-P76 CarbonylContact O-C 3.48Å; H55-P76 WeakPolarHBondContact O-CA 3.45Å; H55-P76 WeakPolarHBondContact O-CB 3.21Å; H55-T77 PolarHBondContact O-N 3.02Å; H55-I78 PolarHBondContact ND1-O 3.13Å; H55-I78 PolarHBondContact O-N 3.36Å; H55-I78 VanDerWaalsContact O-N 3.12Å; H55-F79 HydrophobicContact CB-CE1 4.11Å; H55-F79 HydrophobicContact CB-CZ 4.18Å; H55-F79 AromaticContact CE1-CD1 3.87Å; H55-F79 AromaticContact CE1-CE1 3.88Å; H55-F79 AromaticContact CG-CE1 3.69Å; H55-F79 AromaticContact ND1-CD1 3.51Å; H55-F79 AromaticContact ND1-CE1 3.41Å; H55-F79 WeakPolarHBondContact ND1-CE1 3.49Å
56F82.8Confident74.9Confident5 Ų570.6 Ų70.62%0.02235%0.346CS..BIsolated β-bridgetrans-106.4137.7-179.4-60.9-91.8000110.8F21 W34 L51 I53 I61 L70 A74 P76F21-F56 HydrophobicContact CD2-CE2 4.33Å; W34-F56 HydrophobicContact CD2-CZ 4.49Å; W34-F56 AromaticContact CE2-CE1 3.9Å; W34-F56 HydrophobicContact CE3-CZ 4.34Å; W34-F56 AromaticContact CH2-CE1 3.97Å; W34-F56 HydrophobicContact CH2-CE1 3.97Å; W34-F56 AromaticContact CH2-CZ 3.46Å; W34-F56 HydrophobicContact CH2-CZ 3.46Å; W34-F56 VanDerWaalsContact CH2-CZ 3.46Å; W34-F56 AromaticContact CZ2-CE1 3.57Å; W34-F56 HydrophobicContact CZ2-CE1 3.57Å; W34-F56 AromaticContact CZ2-CZ 3.58Å; W34-F56 HydrophobicContact CZ2-CZ 3.58Å; W34-F56 AromaticContact CZ3-CZ 3.86Å; W34-F56 HydrophobicContact CZ3-CZ 3.86Å; L51-F56 HydrophobicContact CB-CE2 4.38Å; L51-F56 HydrophobicContact CD2-CE2 3.92Å; L51-F56 HydrophobicContact CD2-CZ 3.92Å; L51-F56 HydrophobicContact CG-CE2 4.22Å; I53-F56 PolarHBondContact O-N 3.25Å; F56-I61 HydrophobicContact CB-CD1 4.5Å; F56-I61 HydrophobicContact CB-CG1 4.42Å; F56-L70 HydrophobicContact CB-CD2 4Å; F56-L70 HydrophobicContact CD1-CD1 3.85Å; F56-L70 HydrophobicContact CD1-CD2 3.86Å; F56-L70 HydrophobicContact CD2-CD1 4.12Å; F56-L70 HydrophobicContact CD2-CD2 4.15Å; F56-L70 HydrophobicContact CE1-CD1 3.53Å; F56-L70 HydrophobicContact CE1-CD2 4.41Å; F56-L70 HydrophobicContact CE2-CD1 3.83Å; F56-L70 HydrophobicContact CG-CD1 4.14Å; F56-L70 HydrophobicContact CG-CD2 3.72Å; F56-L70 HydrophobicContact CZ-CD1 3.53Å; F56-A74 HydrophobicContact CD1-CB 4.41Å; F56-P76 HydrophobicContact CD1-CB 4.16Å; F56-P76 HydrophobicContact CE1-CB 3.83Å; F56-P76 HydrophobicContact CE1-CG 4.21Å; F56-P76 HydrophobicContact CE2-CB 4.36Å; F56-P76 HydrophobicContact CZ-CB 3.93Å; F56-P76 HydrophobicContact CZ-CG 4.32Å
57E75.1Confident74.7Confident57 Ų5771.1 Ų71.127%0.26635%0.352SS..  trans-66.1143.4169.2-75.2168.6-109.400111.3R59 Y60 T77 I78E57-R59 HydrophobicContact CB-CG 4.12Å; E57-R59 VanDerWaalsContact CD-CZ 3.5Å; E57-R59 PolarHBondContact O-N 2.92Å; E57-R59 IonicContact OE1-CZ 3.54Å; E57-R59 IonicContact OE1-NH1 3.98Å; E57-R59 IonicContact OE1-NH2 2.83Å; E57-R59 PolarHBondContact OE1-NH2 3.36Å; E57-R59 IonicContact OE2-CZ 2.87Å; E57-R59 IonicContact OE2-NE 3.51Å; E57-R59 IonicContact OE2-NH1 2.81Å; E57-R59 PolarHBondContact OE2-NH1 2.59Å; E57-R59 IonicContact OE2-NH2 3.04Å; E57-R59 PolarHBondContact OE2-NH2 3.48Å; E57-Y60 HydrophobicContact CB-CD2 4.06Å; E57-Y60 HydrophobicContact CB-CE2 4.39Å; E57-Y60 WeakPolarHBondContact O-CB 3.4Å; E57-Y60 PolarHBondContact O-N 3.44Å; E57-T77 WeakPolarHBondContact CG-OG1 3.35Å; E57-T77 WeakPolarHBondContact OE1-CB 3.49Å; E57-T77 PolarHBondContact OE1-OG1 3.05Å; E57-I78 HydrophobicContact CG-CD1 4.28Å; E57-I78 HydrophobicContact CG-CG1 4.22Å
58E74.8Confident75Confident102 Ų10264.4 Ų64.448%0.47733%0.33SS..G310 helixtrans-54.4-29.3-177.4-164.767.1-136.500113.4Y60 I61 R63E58-Y60 PolarHBondContact O-N 3.4Å; E58-Y60 VanDerWaalsContact O-N 3.09Å; E58-I61 PolarHBondContact O-N 3.07Å; E58-R63 IonicContact OE1-CZ 3.82Å; E58-R63 IonicContact OE1-NE 2.81Å; E58-R63 PolarHBondContact OE1-NE 3.37Å; E58-R63 IonicContact OE1-NH2 3.65Å; E58-R63 PolarHBondContact OE1-NH2 3.27Å; E58-R63 IonicContact OE2-CZ 2.74Å; E58-R63 IonicContact OE2-NH2 2.79Å; E58-R63 PolarHBondContact OE2-NH2 2.87Å
59R76.4Confident75.5Confident139 Ų13962.8 Ų62.853%0.52533%0.329SS..G310 helixtrans-59.3-21.5175.472.7178.4-177.5-130-16.6114.6E57 R71E57-R59 HydrophobicContact CB-CG 4.12Å; E57-R59 VanDerWaalsContact CD-CZ 3.5Å; E57-R59 PolarHBondContact O-N 2.92Å; E57-R59 IonicContact OE1-CZ 3.54Å; E57-R59 IonicContact OE1-NH1 3.98Å; E57-R59 IonicContact OE1-NH2 2.83Å; E57-R59 PolarHBondContact OE1-NH2 3.36Å; E57-R59 IonicContact OE2-CZ 2.87Å; E57-R59 IonicContact OE2-NE 3.51Å; E57-R59 IonicContact OE2-NH1 2.81Å; E57-R59 PolarHBondContact OE2-NH1 2.59Å; E57-R59 IonicContact OE2-NH2 3.04Å; E57-R59 PolarHBondContact OE2-NH2 3.48Å; R59-R71 WeakPolarHBondContact O-CD 3.39Å; R59-R71 PolarHBondContact O-NH1 2.98Å
60Y78.5Confident75.8Confident30 Ų3063.3 Ų63.312%0.11833%0.33CS..G310 helixtrans-98.6-0.1178.8-62.4-55.3000113.4E57 E58 L70 R71 D73 A74 V75E57-Y60 HydrophobicContact CB-CD2 4.06Å; E57-Y60 HydrophobicContact CB-CE2 4.39Å; E57-Y60 WeakPolarHBondContact O-CB 3.4Å; E57-Y60 PolarHBondContact O-N 3.44Å; E58-Y60 PolarHBondContact O-N 3.4Å; E58-Y60 VanDerWaalsContact O-N 3.09Å; Y60-L70 WeakPolarHBondContact O-CA 3.25Å; Y60-R71 PolarHBondContact O-N 3.1Å; Y60-D73 WeakPolarHBondContact CE1-OD2 3.35Å; Y60-A74 HydrophobicContact CD1-CB 4.31Å; Y60-A74 HydrophobicContact CG-CB 4.13Å; Y60-V75 HydrophobicContact CE2-CG2 4.17Å
61I79.8Confident75.8Confident16 Ų1668 Ų688%0.08234%0.343CS..EExtended strand (participates in β ladder)trans-106.2111.6-176-58.3175.9000109I53 F56 E58 R63 V68 L70I53-I61 HydrophobicContact CD1-CD1 3.98Å; I53-I61 HydrophobicContact CD1-CG1 4.47Å; I53-I61 HydrophobicContact CD1-CG2 3.99Å; I53-I61 HydrophobicContact CG1-CD1 3.6Å; I53-I61 HydrophobicContact CG1-CG1 4.31Å; F56-I61 HydrophobicContact CB-CD1 4.5Å; F56-I61 HydrophobicContact CB-CG1 4.42Å; E58-I61 PolarHBondContact O-N 3.07Å; I61-R63 HydrophobicContact CG2-CG 4.14Å; I61-V68 HydrophobicContact CG2-CG1 3.48Å; I61-V68 VanDerWaalsContact CG2-CG1 3.48Å; I61-L70 HydrophobicContact CG1-CD2 4.12Å
62D76.5Confident75.4Confident57 Ų5775.3 Ų75.331%0.30538%0.382SS..EExtended strand (participates in β ladder)trans-89.2116.9174.4-66.9-28.2000109.7V68 T69 R71D62-V68 WeakPolarHBondContact O-CA 3.43Å; D62-T69 PolarHBondContact N-O 3.32Å; D62-T69 PolarHBondContact O-N 2.83Å; D62-T69 VanDerWaalsContact O-N 3.1Å; D62-R71 VanDerWaalsContact CG-CG 3.47Å; D62-R71 WeakPolarHBondContact OD1-CD 3.3Å; D62-R71 VanDerWaalsContact OD1-CG 3.3Å; D62-R71 WeakPolarHBondContact OD1-CG 3.44Å; D62-R71 IonicContact OD1-NE 3.99Å; D62-R71 WeakPolarHBondContact OD2-CG 3.46Å
63R79.3Confident75.3Confident162 Ų16279.8 Ų79.861%0.61141%0.406SS*.  trans-102.21175-55.8-171.9-172.3-151.82.1113.5E58 I61 G65E58-R63 IonicContact OE1-CZ 3.82Å; E58-R63 IonicContact OE1-NE 2.81Å; E58-R63 PolarHBondContact OE1-NE 3.37Å; E58-R63 IonicContact OE1-NH2 3.65Å; E58-R63 PolarHBondContact OE1-NH2 3.27Å; E58-R63 IonicContact OE2-CZ 2.74Å; E58-R63 IonicContact OE2-NH2 2.79Å; E58-R63 PolarHBondContact OE2-NH2 2.87Å; I61-R63 HydrophobicContact CG2-CG 4.14Å; R63-G65 VanDerWaalsContact C-N 3.27Å; R63-G65 PolarHBondContact O-N 3.06Å
64T72.4Confident75.3Confident144 Ų14478 Ų7888%0.88340%0.397SS*.SBendtrans-72.6-15.1-171.4-35.80000113.9
65G63.9Low75.7Confident50 Ų5076.6 Ų76.652%0.51539%0.387SS..SBendtrans-105.7175.5-179.400000114.3R63 C67R63-G65 VanDerWaalsContact C-N 3.27Å; R63-G65 PolarHBondContact O-N 3.06Å; G65-C67 PolarHBondContact O-N 2.9Å; G65-C67 VanDerWaalsContact O-N 3.11Å
66K62.1Low75.7Confident222 Ų22275.7 Ų75.797%0.96538%0.382SS*.SBendtrans-60.4-19.4175.3-67.1-177178.7179.50113.8
67C65.6Low75.5Confident86 Ų8678 Ų7858%0.58140%0.397SS*.SBendtrans-128.4136.2174.5-70.80000109.5G65 T69G65-C67 PolarHBondContact O-N 2.9Å; G65-C67 VanDerWaalsContact O-N 3.11Å; C67-T69 PolarHBondContact O-N 3.37Å
68V75.3Confident75.4Confident38 Ų3879.3 Ų79.323%0.2341%0.405CS..  trans-66122.9169-179.10000109.5K19 I53 I61 D62K19-V68 HydrophobicContact CD-CB 4.03Å; K19-V68 HydrophobicContact CD-CG2 4.49Å; I53-V68 HydrophobicContact CD1-CG1 3.68Å; I61-V68 HydrophobicContact CG2-CG1 3.48Å; I61-V68 VanDerWaalsContact CG2-CG1 3.48Å; D62-V68 WeakPolarHBondContact O-CA 3.43Å
69T78.4Confident75.4Confident69 Ų6976.7 Ų76.742%0.42339%0.392SS..EExtended strand (participates in β ladder)trans-125.4160.3-177.946.20000111.5D62 C67D62-T69 PolarHBondContact N-O 3.32Å; D62-T69 PolarHBondContact O-N 2.83Å; D62-T69 VanDerWaalsContact O-N 3.1Å; C67-T69 PolarHBondContact O-N 3.37Å
70L81.8Confident74.7Confident28 Ų2875.7 Ų75.715%0.14741%0.406CS..EExtended strand (participates in β ladder)trans-94.3141.6169.6-70.4177.7000110.3F21 W34 F56 Y60 I61 A74F21-L70 HydrophobicContact CB-CD1 3.77Å; F21-L70 HydrophobicContact CD1-CD1 3.92Å; F21-L70 HydrophobicContact CD1-CG 3.9Å; F21-L70 HydrophobicContact CD2-CD1 3.54Å; F21-L70 HydrophobicContact CD2-CD2 4.28Å; F21-L70 HydrophobicContact CD2-CG 3.75Å; F21-L70 HydrophobicContact CE1-CD1 4.42Å; F21-L70 HydrophobicContact CE1-CG 3.9Å; F21-L70 HydrophobicContact CE2-CD1 4.06Å; F21-L70 HydrophobicContact CE2-CD2 4Å; F21-L70 HydrophobicContact CE2-CG 3.72Å; F21-L70 HydrophobicContact CG-CD1 3.45Å; F21-L70 VanDerWaalsContact CG-CD1 3.45Å; F21-L70 HydrophobicContact CG-CG 3.83Å; F21-L70 HydrophobicContact CZ-CD1 4.48Å; F21-L70 HydrophobicContact CZ-CD2 4.32Å; F21-L70 HydrophobicContact CZ-CG 3.81Å; W34-L70 HydrophobicContact CH2-CD1 4.13Å; W34-L70 HydrophobicContact CZ2-CD1 4.12Å; F56-L70 HydrophobicContact CB-CD2 4Å; F56-L70 HydrophobicContact CD1-CD1 3.85Å; F56-L70 HydrophobicContact CD1-CD2 3.86Å; F56-L70 HydrophobicContact CD2-CD1 4.12Å; F56-L70 HydrophobicContact CD2-CD2 4.15Å; F56-L70 HydrophobicContact CE1-CD1 3.53Å; F56-L70 HydrophobicContact CE1-CD2 4.41Å; F56-L70 HydrophobicContact CE2-CD1 3.83Å; F56-L70 HydrophobicContact CG-CD1 4.14Å; F56-L70 HydrophobicContact CG-CD2 3.72Å; F56-L70 HydrophobicContact CZ-CD1 3.53Å; Y60-L70 WeakPolarHBondContact O-CA 3.25Å; I61-L70 HydrophobicContact CG1-CD2 4.12Å; L70-A74 HydrophobicContact CB-CB 3.81Å; L70-A74 HydrophobicContact CD1-CB 4.46Å; L70-A74 HydrophobicContact CD2-CB 4.29Å; L70-A74 HydrophobicContact CG-CB 4.41Å
71R77.1Confident73.4Confident121 Ų12179.8 Ų79.846%0.45744%0.436SS..  trans-63.2159.8173.9-65.7178.680.1160.38.2112.4K30 R59 Y60 D62 D73 A74K30-R71 PolarHBondContact NZ-O 2.84Å; R59-R71 WeakPolarHBondContact O-CD 3.39Å; R59-R71 PolarHBondContact O-NH1 2.98Å; Y60-R71 PolarHBondContact O-N 3.1Å; D62-R71 VanDerWaalsContact CG-CG 3.47Å; D62-R71 WeakPolarHBondContact OD1-CD 3.3Å; D62-R71 VanDerWaalsContact OD1-CG 3.3Å; D62-R71 WeakPolarHBondContact OD1-CG 3.44Å; D62-R71 IonicContact OD1-NE 3.99Å; D62-R71 WeakPolarHBondContact OD2-CG 3.46Å; R71-D73 VanDerWaalsContact C-N 3.26Å; R71-D73 VanDerWaalsContact CB-OD1 3.23Å; R71-D73 WeakPolarHBondContact CB-OD1 3.13Å; R71-D73 PolarHBondContact O-N 2.92Å; R71-A74 WeakPolarHBondContact O-CB 3.47Å; R71-A74 PolarHBondContact O-N 3.33Å
72D70Confident71.7Confident154 Ų15485.5 Ų85.582%0.82447%0.466SS*.THydrogen-bonded Turntrans-65.3-27.3-178.3-83.6-29.4000113.8K30K30-D72 WeakPolarHBondContact CD-O 3.3Å; K30-D72 VanDerWaalsContact CE-O 3.22Å; K30-D72 WeakPolarHBondContact CE-O 3.37Å; K30-D72 PolarHBondContact NZ-O 3.11Å
73D76.9Confident69.6Low94 Ų9489.7 Ų89.750%0.50349%0.489SS..THydrogen-bonded Turntrans-88.5-6173.969.6-33.6000114.1Y60 R71 V75Y60-D73 WeakPolarHBondContact CE1-OD2 3.35Å; R71-D73 VanDerWaalsContact C-N 3.26Å; R71-D73 VanDerWaalsContact CB-OD1 3.23Å; R71-D73 WeakPolarHBondContact CB-OD1 3.13Å; R71-D73 PolarHBondContact O-N 2.92Å; D73-V75 PolarHBondContact O-N 3.38Å
74A80.6Confident67.6Low0 Ų091.4 Ų91.40%050%0.501CS..  trans-53.1124.9-174.700000113.5K30 W34 F56 Y60 L70 R71K30-A74 WeakPolarHBondContact CE-O 3.34Å; W34-A74 PolarHBondContact NE1-O 3.02Å; F56-A74 HydrophobicContact CD1-CB 4.41Å; Y60-A74 HydrophobicContact CD1-CB 4.31Å; Y60-A74 HydrophobicContact CG-CB 4.13Å; L70-A74 HydrophobicContact CB-CB 3.81Å; L70-A74 HydrophobicContact CD1-CB 4.46Å; L70-A74 HydrophobicContact CD2-CB 4.29Å; L70-A74 HydrophobicContact CG-CB 4.41Å; R71-A74 WeakPolarHBondContact O-CB 3.47Å; R71-A74 PolarHBondContact O-N 3.33Å
75V82.6Confident65.8Low16 Ų1689.9 Ų89.910%0.09749%0.491CS..  trans-128.1139.8173.5-69.80000109.2K33 Y60 D73 T77K33-V75 HydrophobicContact CB-CG1 3.72Å; K33-V75 HydrophobicContact CD-CG1 4.02Å; Y60-V75 HydrophobicContact CE2-CG2 4.17Å; D73-V75 PolarHBondContact O-N 3.38Å; V75-T77 HydrophobicContact CG2-CG2 4.15Å
76P80.8Confident64.5Low0 Ų095.8 Ų95.80%051%0.505CS..BIsolated β-bridgetrans-74.2133.6175.432.4-34.1000108.6W34 N37 L51 H55 F56 F79W34-P76 HydrophobicContact CB-CG 4.19Å; W34-P76 HydrophobicContact CD2-CG 4.17Å; W34-P76 VanDerWaalsContact CG-CD 3.46Å; W34-P76 HydrophobicContact CG-CG 3.99Å; N37-P76 WeakPolarHBondContact CB-O 3.18Å; N37-P76 PolarHBondContact ND2-O 2.8Å; L51-P76 HydrophobicContact CD2-CB 3.52Å; L51-P76 HydrophobicContact CD2-CG 3.71Å; H55-P76 HydrophobicContact CB-CB 4.05Å; H55-P76 CarbonylContact O-C 3.48Å; H55-P76 WeakPolarHBondContact O-CA 3.45Å; H55-P76 WeakPolarHBondContact O-CB 3.21Å; F56-P76 HydrophobicContact CD1-CB 4.16Å; F56-P76 HydrophobicContact CE1-CB 3.83Å; F56-P76 HydrophobicContact CE1-CG 4.21Å; F56-P76 HydrophobicContact CE2-CB 4.36Å; F56-P76 HydrophobicContact CZ-CB 3.93Å; F56-P76 HydrophobicContact CZ-CG 4.32Å; P76-F79 HydrophobicContact CB-CE2 3.83Å; P76-F79 HydrophobicContact CB-CZ 3.67Å; P76-F79 HydrophobicContact CG-CE2 4.12Å; P76-F79 HydrophobicContact CG-CZ 3.99Å
77T77.5Confident63Low53 Ų5394.3 Ų94.333%0.32550%0.499SS..  trans-131.8-17.8-175.446.10000112.2H55 E57 V75 F79H55-T77 PolarHBondContact O-N 3.02Å; E57-T77 WeakPolarHBondContact CG-OG1 3.35Å; E57-T77 WeakPolarHBondContact OE1-CB 3.49Å; E57-T77 PolarHBondContact OE1-OG1 3.05Å; V75-T77 HydrophobicContact CG2-CG2 4.15Å; T77-F79 PolarHBondContact O-N 3.38Å
78I73.9Confident61.4Low84 Ų8497.1 Ų97.143%0.43151%0.508SS..  trans-89.592.4-176.9-52.4176.2000108.8H55 E57H55-I78 PolarHBondContact ND1-O 3.13Å; H55-I78 PolarHBondContact O-N 3.36Å; H55-I78 VanDerWaalsContact O-N 3.12Å; E57-I78 HydrophobicContact CG-CD1 4.28Å; E57-I78 HydrophobicContact CG-CG1 4.22Å
79F74.1Confident59.2Low48 Ų48104.7 Ų104.721%0.21154%0.538CS..  trans-132.7126.2172.6-61.5-74000110.1A7 N37 M38 L51 H55 P76 T77A7-F79 HydrophobicContact CB-CD1 4.03Å; A7-F79 HydrophobicContact CB-CE1 3.74Å; N37-F79 HydrophobicContact CB-CE2 4.08Å; N37-F79 WeakPolarHBondContact O-CD2 3.13Å; M38-F79 HydrophobicContact CB-CZ 4.25Å; M38-F79 HydrophobicContact CG-CE1 3.86Å; M38-F79 HydrophobicContact CG-CE2 3.97Å; M38-F79 HydrophobicContact CG-CZ 3.34Å; L51-F79 HydrophobicContact CD2-CZ 4.26Å; H55-F79 HydrophobicContact CB-CE1 4.11Å; H55-F79 HydrophobicContact CB-CZ 4.18Å; H55-F79 AromaticContact CE1-CD1 3.87Å; H55-F79 AromaticContact CE1-CE1 3.88Å; H55-F79 AromaticContact CG-CE1 3.69Å; H55-F79 AromaticContact ND1-CD1 3.51Å; H55-F79 AromaticContact ND1-CE1 3.41Å; H55-F79 WeakPolarHBondContact ND1-CE1 3.49Å; P76-F79 HydrophobicContact CB-CE2 3.83Å; P76-F79 HydrophobicContact CB-CZ 3.67Å; P76-F79 HydrophobicContact CG-CE2 4.12Å; P76-F79 HydrophobicContact CG-CZ 3.99Å; T77-F79 PolarHBondContact O-N 3.38Å
80S61Low56.9Low118 Ų118108 Ų10883%0.82556%0.558SS**  trans-60.9131174.1-52.60000110.2
81P51.4Low54.2Low115 Ų115111.7 Ų111.775%0.74759%0.586SS**  trans-64.7142.4176.826.7-33.2000110.9D83P81-D83 PolarHBondContact O-N 2.89Å
82L43.7Very low52Low136 Ų136111.9 Ų111.971%0.71260%0.603SS**  trans-73.6110.6179.1-173.881.4000110.4Y8 K84Y8-L82 HydrophobicContact CE1-CD1 4.47Å; L82-K84 PolarHBondContact O-N 2.91Å
83D32.7Very low50Low146 Ų146108.2 Ų108.278%0.78160%0.602SS**  trans-63.3117.5170.2-96.2-32.7000111P81 T85P81-D83 PolarHBondContact O-N 2.89Å; D83-T85 VanDerWaalsContact C-N 3.26Å; D83-T85 PolarHBondContact O-N 3.02Å
84K38.1Very low47.7Very low198 Ų198116 Ų11686%0.86162%0.624SS**  trans-8164.6175.9-72.4-177.1176.8176.60111.5L82L82-K84 PolarHBondContact O-N 2.91Å
85T35.2Very low45.2Very low111 Ų111119.7 Ų119.768%0.68166%0.662SS**  trans-156101.917211.40000112.8D83D83-T85 VanDerWaalsContact C-N 3.26Å; D83-T85 PolarHBondContact O-N 3.02Å
86Q35.9Very low42.7Very low174 Ų174131 Ų13181%0.81370%0.703SS**  176.5100.2118.9-94.8173.355.500110.9
87K30.1Very low40.3Very low191 Ų191142.8 Ų142.883%0.8375%0.748SS**  trans-70147.3152.6-87.4-178.4173.2177.90108.7
88N32.8Very low37.9Very low145 Ų145151.9 Ų151.978%0.77578%0.776SS**  trans59.390.7156.7-57.6-1.5000118.1
89K27.7Very low35.6Very low198 Ų198156.7 Ų156.786%0.86180%0.797SS**  trans-135.2112.4134.3-71.3-165.2179.2177.30110.8
90V30.1Very low33.5Very low137 Ų137162.5 Ų162.583%0.8382%0.822SS**  trans-83.4147.8169171.60000109
91S27Very low32Very low107 Ų107162.3 Ų162.375%0.74882%0.818SS**  trans134.9160.4151-64.40000112.8
92P30.8Very low30.7Very low124 Ų124163.9 Ų163.981%0.80582%0.82SS**  cis-127.4169.9-46.235.8-21.3000111.5
93G26.8Very low29.9Very low78 Ų78164.2 Ų164.280%0.80482%0.821SS**  trans-71.5158.3-175.800000115.5
94R29.6Very low29.5Very low256 Ų256162.7 Ų162.797%0.96682%0.821SS**  trans-113.2108.7161.8-84.7-175.9169.7-179-2.8109.8
95G26.4Very low28.8Very low78 Ų78157.4 Ų157.480%0.80482%0.815SS**PPolyproline II helixtrans-77.1152.3178.800000113.3
96R30.2Very low28.3Very low255 Ų255161.7 Ų161.796%0.96282%0.824SS**PPolyproline II helixtrans-98120.7161.6-85.5-178.4166.8173.9-4.2109.1
97R31.1Very low27.7Very low246 Ų246158.3 Ų158.393%0.92882%0.819SS**PPolyproline II helixtrans-69.3136177.2-74.3179.3172.6169.3-3.2110.5
98R26.5Very low27.4Very low245 Ų245153.7 Ų153.793%0.92581%0.811SS**PPolyproline II helixtrans-75.8139.9166.4-117.5173.1171.5170.5-3.1108.9
99H26.7Very low26.9Very low185 Ų185154.8 Ų154.886%0.85681%0.812SS**  trans-121.4125.8157.4-104-74.6000110
100K28.9Very low26.8Very low170 Ų170152 Ų15274%0.73980%0.8SS**  trans-106.2160.2156.5-128.5-176.8179.7-173.30105.4
101P29.5Very low26.5Very low114 Ų114152.9 Ų152.974%0.7480%0.795SS**  -149.1-16669.345.2-26.1000111.5
102N23.9Very low26.3Very low147 Ų147152.9 Ų152.979%0.78680%0.795SS**  cis-149177.5-21.6-131.6-2.2000109.4
103I28Very low26Very low143 Ų143151.1 Ų151.173%0.73379%0.791SS**  trans-117138174.5-64.2170000110.4
104S24.1Very low25.9Very low114 Ų114152.8 Ų152.880%0.79779%0.79SS**  trans-158.9110.4147.559.40000107.6
105A24.3Very low25.7Very low88 Ų88146 Ų14673%0.72778%0.782SS**  71.5100.860.700000114.8
106K23.4Very low25.6Very low200 Ų200146.2 Ų146.287%0.8778%0.776SS**  trans-176.4141.2131.5-114.5179.6179.1-178.10113.7
107S22.9Very low25.2Very low103 Ų103140.6 Ų140.672%0.7277%0.77SS**  trans43.4145.4144.555.90000120.7
108S23.8Very low24.9Very low94 Ų94133.9 Ų133.966%0.65776%0.761SS**  cis-178.4152.48.432.60000108.8
109E24.1Very low25.4Very low169 Ų169127.7 Ų127.779%0.7975%0.752SS**  trans55.3150.2148-66.3-177.7-152.800118.7
110K24.7Very low25.2Very low140 Ų140124 Ų12461%0.60975%0.748SS**  cis-168.8157.62.4-123.7173.3170.9-141.10107.4
111E23Very low25Very low154 Ų154122.7 Ų122.772%0.7275%0.753SS**  trans59.1154.8149.2-69.9154.9-149.100117.4
112S22.9Very low24.7Very low107 Ų107122 Ų12275%0.74875%0.751SS**  cis-161.3145.6-9.344.80000111
113A24.6Very low24.6Very low87 Ų87119.5 Ų119.572%0.71975%0.746SS**  trans49.4127.4140.900000123.4
114S25.6Very low24.4Very low114 Ų114118.9 Ų118.980%0.79775%0.748SS**  trans74.1150.6131.868.70000119.3
115S24.3Very low24.4Very low112 Ų112123.3 Ų123.378%0.78375%0.753SS**  cis-157.4176.8-2.628.30000111.1
116A24.5Very low24.4Very low84 Ų84126.5 Ų126.569%0.69476%0.758SS**  trans-43.3163.916600000113.7
117T22.8Very low24.5Very low137 Ų137127.1 Ų127.184%0.8476%0.76SS**  -167.1146.860.2-36.60000112.5
118S25Very low24.4Very low104 Ų104130.2 Ų130.273%0.72776%0.764SS**  trans-82.9-161163.5-23.90000110.3
119P37Very low24.3Very low115 Ų115132 Ų13275%0.74777%0.765SS**  cis-130.8175.8-38.137.2-21.6000112.7
120S22.5Very low24.3Very low108 Ų108131 Ų13176%0.75577%0.765SS**  trans172.3129.4145.629.90000110
121V24.1Very low24.3Very low142 Ų142130.5 Ų130.586%0.86177%0.765SS**  64.5125.478.81780000110.6
122S22.5Very low24.3Very low99 Ų99132.5 Ų132.569%0.69277%0.766SS**  cis-161.9176.825.249.40000115.8
123S22.1Very low24.3Very low96 Ų96133.1 Ų133.167%0.67176%0.761SS**  trans74.398.4135.258.10000123.3
124V24.4Very low24.3Very low130 Ų130136.2 Ų136.279%0.78876%0.761SS**  36.6121.3113-174.50000119.8
125K23.7Very low24.3Very low207 Ų207139.8 Ų139.890%0.977%0.765SS**  -170.8149.4121.3-106.4171.2-173.3176.90114.4
126N24.8Very low24.4Very low154 Ų154143 Ų14382%0.82477%0.767SS**  trans-81.1155.8-177.4-52.5-20.2000112.9
127K24.5Very low24.4Very low213 Ų213146.5 Ų146.593%0.92678%0.78SS**  trans-158.2151136.8-135.1177.1-179.5-176.90113
128E22Very low24.6Very low168 Ų168143.2 Ų143.279%0.78577%0.773SS**  trans-91.4159.3-169.3-72.2168.7107.400115.5
129L22.2Very low24.9Very low133 Ų133144.6 Ų144.670%0.69677%0.773SS**  trans45.2118.1144.5-80.2143.7000120
130N22.6Very low24.6Very low148 Ų148148 Ų14879%0.79178%0.776SS**  -158.7157.398.2-127.9-20.5000115.5
131Q24.8Very low25Very low129 Ų129149.5 Ų149.560%0.60378%0.776SS**  trans-62.8160.5165.7-67.8170.116.700110.5
132R23.4Very low25.4Very low196 Ų196149.9 Ų149.974%0.7477%0.767SS**  cis-160-175.112.6-127.8175.5-82.8154.9-1.6106.8
133D23.8Very low25.7Very low120 Ų120153.1 Ų153.164%0.64277%0.769SS**  cis-157.2-175.610.3-136.3-28.2000112.9
134E23.2Very low26Very low152 Ų152154 Ų15471%0.7177%0.766SS**  trans13.6124.7160.8-51.6-167.6135.100122.6
135Q25.3Very low26.4Very low189 Ų189151.8 Ų151.888%0.88375%0.753SS**  -167.4155.190.2-99.7179.61000114.6
136Q28.5Very low26.9Very low179 Ų179148.1 Ų148.184%0.83674%0.739SS**  trans-75.6147.2-165.8-58.5160.33.400114.6
137T23.6Very low27.3Very low157 Ų157148.7 Ų148.796%0.96373%0.734SS**  trans-164.9141.5137.730.60000110.1
138G26.4Very low28.2Very low68 Ų68144.6 Ų144.670%0.70171%0.713SS**  trans129.822.816100000121K140G138-K140 VanDerWaalsContact C-N 3.34Å; G138-K140 PolarHBondContact O-N 3.01Å
139D32.1Very low28.8Very low133 Ų133145 Ų14571%0.71171%0.708SS**THydrogen-bonded Turntrans-64.686.4170.3173.634.9000112.3
140K29.3Very low29.6Very low187 Ų187141.6 Ų141.681%0.81369%0.689SS**THydrogen-bonded Turntrans-143.8-24167.7-73.3-163.2177172.20116.6G138G138-K140 VanDerWaalsContact C-N 3.34Å; G138-K140 PolarHBondContact O-N 3.01Å
141D31.5Very low30Very low140 Ų140141 Ų14175%0.74969%0.685SS**G310 helixtrans-84.5-19.2-174.3-82.6-44.6000115.1K143 N144D141-K143 PolarHBondContact O-N 3.24Å; D141-K143 VanDerWaalsContact O-N 3.11Å; D141-N144 PolarHBondContact O-N 3.1Å
142H32.2Very low30.4Very low149 Ų149139.5 Ų139.569%0.6968%0.684SS**G310 helixtrans-69-15.7-172.3-129-37.3000115T145H142-T145 PolarHBondContact O-OG1 3.18Å
143K28.8Very low30.6Very low167 Ų167133.2 Ų133.273%0.72667%0.665SS**G310 helixtrans-88-8.2-177.6-80.5173.7176.9157.30115.1D141D141-K143 PolarHBondContact O-N 3.24Å; D141-K143 VanDerWaalsContact O-N 3.11Å
144N29.4Very low31.2Very low115 Ų115134 Ų13462%0.61567%0.665SS**THydrogen-bonded Turntrans-94.5-20.4179.2-15314.8000112.7D141D141-N144 PolarHBondContact O-N 3.1Å
145T33Very low31.7Very low83 Ų83134.7 Ų134.751%0.50966%0.661SS.*G310 helixtrans-74-28.7176.940.90000113.6H142 K147H142-T145 PolarHBondContact O-OG1 3.18Å; T145-K147 PolarHBondContact O-N 3.28Å
146E34.3Very low32.3Very low130 Ų130129.5 Ų129.561%0.60764%0.639SS**G310 helixtrans-74.8-6.6-178.6-62.7-164.2124.500114.8W148E146-W148 PolarHBondContact O-N 2.93Å
147K33.1Very low32.5Very low167 Ų167130.4 Ų130.473%0.72664%0.635SS**G310 helixtrans-72.6-15.9179.5-164.4177.3175.2-168.70112.7T145 R149T145-K147 PolarHBondContact O-N 3.28Å; K147-R149 VanDerWaalsContact C-N 3.32Å; K147-R149 PolarHBondContact O-N 3.49Å
148W43.2Very low33Very low127 Ų127130.5 Ų130.548%0.48162%0.622SS.*  trans-90.165.6177.7-55.3104.2000111E146 V271E146-W148 PolarHBondContact O-N 2.93Å; W148-V271 HydrophobicContact CE3-CG2 4.01Å; W148-V271 HydrophobicContact CH2-CG2 4.15Å; W148-V271 HydrophobicContact CZ3-CG2 3.4Å; W148-V271 VanDerWaalsContact CZ3-CG2 3.4Å
149R33.4Very low33.6Very low177 Ų177132.7 Ų132.767%0.66862%0.616SS**  trans-90.9123159.6-64.3-172-172.6-161.8-0.6107.8K147 I151K147-R149 VanDerWaalsContact C-N 3.32Å; K147-R149 PolarHBondContact O-N 3.49Å; R149-I151 VanDerWaalsContact C-N 3.3Å; R149-I151 PolarHBondContact O-N 2.96Å
150I38.8Very low33.5Very low61 Ų61133.5 Ų133.531%0.31362%0.621SS.*  trans-60.2108149.9-65.3169.4000104V152 V208 L267I150-V152 VanDerWaalsContact C-N 3.29Å; I150-V152 PolarHBondContact O-N 3Å; I150-V208 HydrophobicContact CD1-CB 3.51Å; I150-V208 HydrophobicContact CD1-CG1 3.78Å; I150-V208 VanDerWaalsContact CD1-O 3.25Å; I150-V208 WeakPolarHBondContact CD1-O 3.37Å; I150-L267 HydrophobicContact CD1-CD2 3.88Å; I150-L267 HydrophobicContact CG1-CD2 4.1Å
151I31.6Very low33.7Very low136 Ų136128.8 Ų128.870%0.69761%0.611SS**  trans-64.7104.4165.4-63.5170.9000103.3R149 D153R149-I151 VanDerWaalsContact C-N 3.3Å; R149-I151 PolarHBondContact O-N 2.96Å; I151-D153 VanDerWaalsContact C-N 3.34Å; I151-D153 PolarHBondContact O-N 2.98Å
152V33.5Very low33.6Very low96 Ų96131.2 Ų131.258%0.58262%0.615SS**  trans-48.7109.4161.4173.50000104.6I150 E154I150-V152 VanDerWaalsContact C-N 3.29Å; I150-V152 PolarHBondContact O-N 3Å; V152-E154 PolarHBondContact O-N 2.92Å; V152-E154 VanDerWaalsContact O-N 3.12Å
153D28.6Very low33.7Very low64 Ų64129.4 Ų129.434%0.34262%0.617SS.*  trans-58.5125.3-159.9-167.3-14.2000108.8I151 R155 L156I151-D153 VanDerWaalsContact C-N 3.34Å; I151-D153 PolarHBondContact O-N 2.98Å; D153-R155 PolarHBondContact O-N 3.15Å; D153-R155 WeakPolarHBondContact OD1-CB 3.46Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.5Å; D153-R155 PolarHBondContact OD1-N 3.45Å; D153-L156 HydrophobicContact CB-CD1 4.36Å; D153-L156 HydrophobicContact CB-CG 4.35Å; D153-L156 WeakPolarHBondContact O-CB 3.24Å; D153-L156 PolarHBondContact O-N 2.99Å
154E34.6Very low34.2Very low138 Ų138130.5 Ų130.565%0.64563%0.625SS**THydrogen-bonded Turntrans-63.3-12.2178.2-154.3171.7-147.900110.7V152V152-E154 PolarHBondContact O-N 2.92Å; V152-E154 VanDerWaalsContact O-N 3.12Å
155R34Very low34.6Very low165 Ų165133.2 Ų133.262%0.62363%0.631SS**THydrogen-bonded Turntrans-76.3-32.3166.8-59.9174.8171.5-169.6-0.5114.4D153 K158 E294D153-R155 PolarHBondContact O-N 3.15Å; D153-R155 WeakPolarHBondContact OD1-CB 3.46Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.5Å; D153-R155 PolarHBondContact OD1-N 3.45Å; R155-K158 WeakPolarHBondContact O-CB 3.17Å; R155-K158 PolarHBondContact O-N 2.98Å; R155-K158 VanDerWaalsContact O-N 3.17Å; R155-E294 IonicContact NH1-OE1 2.83Å; R155-E294 PolarHBondContact NH1-OE1 2.8Å
156L38.7Very low34.7Very low81 Ų81137.8 Ų137.842%0.42465%0.645SS.*G310 helixtrans-67.4-37.3176.3-83.2170000111.5D153 K158 I159D153-L156 HydrophobicContact CB-CD1 4.36Å; D153-L156 HydrophobicContact CB-CG 4.35Å; D153-L156 WeakPolarHBondContact O-CB 3.24Å; D153-L156 PolarHBondContact O-N 2.99Å; L156-K158 PolarHBondContact O-N 2.63Å; L156-K158 VanDerWaalsContact O-N 3.15Å; L156-I159 PolarHBondContact O-N 3.47Å
157R33Very low35.3Very low197 Ų197141.4 Ų141.474%0.74366%0.661SS**G310 helixtrans-67.3-7172.8-73.2-172.1174-174.8-3114.8
158K34.5Very low35.4Very low160 Ų160135.4 Ų135.470%0.69665%0.646SS**G310 helixtrans-92.15.3178.6-78.1-174.4174.2-176.30114.4R155 L156R155-K158 WeakPolarHBondContact O-CB 3.17Å; R155-K158 PolarHBondContact O-N 2.98Å; R155-K158 VanDerWaalsContact O-N 3.17Å; L156-K158 PolarHBondContact O-N 2.63Å; L156-K158 VanDerWaalsContact O-N 3.15Å
159I37.8Very low35.5Very low113 Ų113137.1 Ų137.158%0.57967%0.665SS**SBendtrans-92.5-28.7173.7-56.5-179.7000110.6L156 S161L156-I159 PolarHBondContact O-N 3.47Å; I159-S161 PolarHBondContact O-N 3.09Å
160D30.1Very low36Very low150 Ų150139.2 Ų139.280%0.80267%0.674SS**SBendtrans-7946.8175.9-65.7-34000113.9
161S33.9Very low36.3Very low88 Ų88142.1 Ų142.162%0.61570%0.699SS**  trans-158.653.2164.472.80000113.4I159 P163I159-S161 PolarHBondContact O-N 3.09Å; S161-P163 WeakPolarHBondContact O-CD 3.29Å
162F29.9Very low36.7Very low191 Ų191141.6 Ų141.684%0.83870%0.702SS**  trans-107.695.4153.7-90.1-78.9000109.6Q164F162-Q164 PolarHBondContact O-N 3.13Å
163P33.3Very low37Very low111 Ų111142.6 Ų142.672%0.72171%0.71SS**  trans-63.6116.5162.3-11.727000108.1S161 F165S161-P163 WeakPolarHBondContact O-CD 3.29Å; P163-F165 PolarHBondContact O-N 3.18Å
164Q39.8Very low37.9Very low191 Ų191147.9 Ų147.989%0.89373%0.733SS**  trans-6786.8158.2-70.8176.1-21.100108F162F162-Q164 PolarHBondContact O-N 3.13Å
165F37.6Very low38.6Very low172 Ų172148.9 Ų148.975%0.75474%0.743SS**  trans-157.5146.8166.9-129.9-93.5000111.7P163P163-F165 PolarHBondContact O-N 3.18Å
166F35.6Very low38.9Very low179 Ų179147.4 Ų147.479%0.78575%0.746SS**  trans75.170.8-175.2-56.6-76.7000117.3
167H46.3Very low38.9Very low205 Ų205152.7 Ų152.795%0.94977%0.768SS**  -85127.9121.7-84.4-77.5000107.7
168G34.3Very low39.5Very low41 Ų41153.7 Ų153.742%0.42377%0.772SS.*  trans174.388.6-176.600000111.1Y170G168-Y170 PolarHBondContact O-N 3.32Å
169D45.9Very low39.7Very low163 Ų163149.8 Ų149.887%0.87277%0.77SS**  trans3773151.4-52.3-26.2000118.1
170Y44.1Very low39.7Very low221 Ų221150.2 Ų150.287%0.86778%0.78SS**  trans-108.1121.1155-83.7-79.2000110.9G168G168-Y170 PolarHBondContact O-N 3.32Å
171C44.8Very low40.1Very low123 Ų123150.7 Ų150.783%0.83178%0.783SS**PPolyproline II helixtrans-56.8137.2-170.9-53.30000113P173C171-P173 WeakPolarHBondContact O-CD 3.31Å
172V41.3Very low40.4Very low125 Ų125153.3 Ų153.376%0.75879%0.79SS**PPolyproline II helixtrans-87.1116.7167.5178.50000109.2
173P38.8Very low41.1Very low116 Ų116150.6 Ų150.675%0.75378%0.784SS**PPolyproline II helixtrans-71.8123.8155.8-9.627.8000108C171C171-P173 WeakPolarHBondContact O-CD 3.31Å
174Q47.9Very low41.2Very low176 Ų176153 Ų15382%0.82278%0.783SS**SBendtrans-62154.1173.8-69.4170.1-29.400110.9
175N49.4Very low41.3Very low158 Ų158148 Ų14885%0.84577%0.769SS**  trans74.975.8179.7-60.9-19.9000117.4
176I40.8Very low41.5Very low134 Ų134145.3 Ų145.369%0.68776%0.759SS**  trans-119.5107.9132.1-61.8179.5000107W178I176-W178 HydrophobicContact CG2-CD2 4.37Å; I176-W178 HydrophobicContact CG2-CG 4.42Å; I176-W178 HydrophobicContact CG2-CZ2 4.38Å; I176-W178 PolarHBondContact O-N 2.94Å
177Q38.4Very low41.8Very low193 Ų193144.8 Ų144.890%0.90276%0.759SS**  trans-81.795.3174.4-166.2172.3900107.5
178W45.4Very low41.6Very low217 Ų217144 Ų14482%0.82275%0.749SS**PPolyproline II helixtrans-63150.2169.8-66.589.7000109.2I176I176-W178 HydrophobicContact CG2-CD2 4.37Å; I176-W178 HydrophobicContact CG2-CG 4.42Å; I176-W178 HydrophobicContact CG2-CZ2 4.38Å; I176-W178 PolarHBondContact O-N 2.94Å
179A38.4Very low42Very low79 Ų79149.2 Ų149.265%0.65376%0.763SS**PPolyproline II helixtrans-58.5155.2179.500000110.5D181A179-D181 PolarHBondContact O-N 2.92Å
180P38.1Very low42Very low121 Ų121146.2 Ų146.279%0.78675%0.747SS**PPolyproline II helixtrans-55.3132.7175.1-18.330.5000109.2D182P180-D182 PolarHBondContact O-N 3.34Å
181D38.8Very low42.4Very low161 Ų161139.9 Ų139.986%0.86173%0.734SS**  trans-62.9108.8170.7-63.2-61.1000107.7A179 D183A179-D181 PolarHBondContact O-N 2.92Å; D181-D183 PolarHBondContact O-N 3.01Å; D181-D183 VanDerWaalsContact O-N 3.1Å
182D39.4Very low43.2Very low142 Ų142139.8 Ų139.876%0.75973%0.726SS**  trans-61.2113.8164.8-90.9-32.8000106.6P180 F184P180-D182 PolarHBondContact O-N 3.34Å; D182-F184 HydrophobicContact CB-CD2 4.23Å; D182-F184 HydrophobicContact CB-CE2 4.48Å; D182-F184 PolarHBondContact O-N 2.86Å
183D45.1Very low44.8Very low134 Ų134136.3 Ų136.372%0.71770%0.703SS**  trans-67.174.4-177.2-1723.4000111D181 S185D181-D183 PolarHBondContact O-N 3.01Å; D181-D183 VanDerWaalsContact O-N 3.1Å; D183-S185 PolarHBondContact O-N 3.42Å; D183-S185 VanDerWaalsContact OD1-CB 3.26Å; D183-S185 WeakPolarHBondContact OD1-CB 3.48Å; D183-S185 PolarHBondContact OD1-N 2.9Å; D183-S185 PolarHBondContact OD1-OG 3.37Å
184F34.8Very low47Very low162 Ų162133.5 Ų133.571%0.71168%0.683SS**  trans-86.363.3161.4-83.5-85.5000109.4D182 E186D182-F184 HydrophobicContact CB-CD2 4.23Å; D182-F184 HydrophobicContact CB-CE2 4.48Å; D182-F184 PolarHBondContact O-N 2.86Å; F184-E186 HydrophobicContact CD1-CG 4.35Å; F184-E186 PolarHBondContact O-N 2.89Å
185S42.9Very low48.8Very low86 Ų86125.2 Ų125.260%0.60165%0.645SS**  trans-6951.8155.5430000111.2D183 E187D183-S185 PolarHBondContact O-N 3.42Å; D183-S185 VanDerWaalsContact OD1-CB 3.26Å; D183-S185 WeakPolarHBondContact OD1-CB 3.48Å; D183-S185 PolarHBondContact OD1-N 2.9Å; D183-S185 PolarHBondContact OD1-OG 3.37Å; S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 PolarHBondContact O-N 3.2Å
186E41.1Very low50.7Low116 Ų116122 Ų12254%0.54263%0.625SS.*  trans-74.288.9158.1-76.7-170.7152.600107.7F184 Y188F184-E186 HydrophobicContact CD1-CG 4.35Å; F184-E186 PolarHBondContact O-N 2.89Å; E186-Y188 HydrophobicContact CB-CD2 3.91Å; E186-Y188 HydrophobicContact CB-CE2 3.74Å; E186-Y188 HydrophobicContact CG-CE2 4.43Å; E186-Y188 PolarHBondContact O-N 3.47Å; E186-Y188 VanDerWaalsContact OE2-CE2 3.25Å; E186-Y188 WeakPolarHBondContact OE2-CE2 3.22Å; E186-Y188 PolarHBondContact OE2-OH 3.3Å
187E42.2Very low53.1Low167 Ų167115.7 Ų115.778%0.7859%0.592SS**  trans-60.979.9163.8-69-170.9146.700109.7S185 Q189S185-E187 VanDerWaalsContact C-N 3.26Å; S185-E187 PolarHBondContact O-N 3.2Å; E187-Q189 PolarHBondContact O-N 3.02Å
188Y40.8Very low55.5Low190 Ų190112.6 Ų112.675%0.74558%0.576SS**  trans-70.175.2164.2-78.1-75.6000109.7E186 D190E186-Y188 HydrophobicContact CB-CD2 3.91Å; E186-Y188 HydrophobicContact CB-CE2 3.74Å; E186-Y188 HydrophobicContact CG-CE2 4.43Å; E186-Y188 PolarHBondContact O-N 3.47Å; E186-Y188 VanDerWaalsContact OE2-CE2 3.25Å; E186-Y188 WeakPolarHBondContact OE2-CE2 3.22Å; E186-Y188 PolarHBondContact OE2-OH 3.3Å; Y188-D190 PolarHBondContact O-N 2.89Å
189Q44.3Very low57.7Low150 Ų150102.8 Ų102.870%0.70154%0.542SS*.  trans-67.183.4156.3-72.3-174.5-11.700108.5E187 S191E187-Q189 PolarHBondContact O-N 3.02Å; Q189-S191 PolarHBondContact O-N 3.2Å; Q189-S191 PolarHBondContact O-OG 2.89Å
190D44.6Very low60.2Low100 Ų10099.8 Ų99.854%0.53552%0.517SS..  trans-69.167.5166.2-171.913.9000110Y188 D192 N193Y188-D190 PolarHBondContact O-N 2.89Å; D190-D192 VanDerWaalsContact C-N 3.28Å; D190-N193 PolarHBondContact OD1-ND2 3.09Å; D190-N193 PolarHBondContact OD2-ND2 2.89Å
191S53.8Low62.9Low87 Ų8794.4 Ų94.461%0.60848%0.481SS*.  trans-79-13.317950.60000112.3Q189 N193Q189-S191 PolarHBondContact O-N 3.2Å; Q189-S191 PolarHBondContact O-OG 2.89Å; S191-N193 VanDerWaalsContact C-N 3.32Å; S191-N193 PolarHBondContact O-N 2.94Å
192D60.1Low65.4Low122 Ų12288.5 Ų88.565%0.65245%0.449SS*.THydrogen-bonded Turntrans-73.1-23-178.4-89.4-27.2000112.9D190 K369D190-D192 VanDerWaalsContact C-N 3.28Å; D192-K369 WeakPolarHBondContact O-CE 3.32Å; D192-K369 PolarHBondContact O-NZ 3.27Å
193N76.7Confident68Low51 Ų5181.9 Ų81.927%0.27341%0.413SS..THydrogen-bonded Turntrans-112.129.7-175.4-64.5-48.3000114D190 S191 S373 T374D190-N193 PolarHBondContact OD1-ND2 3.09Å; D190-N193 PolarHBondContact OD2-ND2 2.89Å; S191-N193 VanDerWaalsContact C-N 3.32Å; S191-N193 PolarHBondContact O-N 2.94Å; N193-S373 CarbonylContact O-C 3.54Å; N193-S373 WeakPolarHBondContact O-CA 3.39Å; N193-S373 WeakPolarHBondContact O-CB 3.25Å; N193-T374 PolarHBondContact O-N 2.85Å
194V83.6Confident70.4Confident57 Ų5775.6 Ų75.635%0.34538%0.379SS..EExtended strand (participates in β ladder)trans-103.1130172.4-179.10000111.2T374 V376V194-T374 CarbonylContact C-O 3.46Å; V194-T374 WeakPolarHBondContact CA-O 3.4Å; V194-V376 HydrophobicContact CG1-CB 4.17Å; V194-V376 HydrophobicContact CG1-CG2 3.74Å
195I87.1Confident73.3Confident2 Ų268.1 Ų68.11%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-110.5116.3171-65174.5000109.3W203 Y365 I370 T374 F375 V376I195-W203 HydrophobicContact CD1-CH2 4.28Å; I195-W203 HydrophobicContact CG2-CH2 4.34Å; I195-W203 HydrophobicContact CG2-CZ2 3.64Å; I195-Y365 HydrophobicContact CD1-CD2 4.34Å; I195-Y365 HydrophobicContact CG1-CE2 4.42Å; I195-Y365 HydrophobicContact CG2-CE2 4.5Å; I195-I370 HydrophobicContact CD1-CG1 4.28Å; I195-T374 PolarHBondContact N-O 2.87Å; I195-F375 HydrophobicContact CB-CD1 3.99Å; I195-F375 HydrophobicContact CB-CE1 3.79Å; I195-F375 HydrophobicContact CB-CZ 4.15Å; I195-F375 HydrophobicContact CD1-CE1 4.14Å; I195-F375 HydrophobicContact CD1-CE2 4.29Å; I195-F375 HydrophobicContact CD1-CZ 3.72Å; I195-F375 HydrophobicContact CG2-CD1 3.87Å; I195-F375 HydrophobicContact CG2-CE1 3.48Å; I195-F375 VanDerWaalsContact CG2-CE1 3.48Å; I195-F375 HydrophobicContact CG2-CZ 4.17Å; I195-F375 WeakPolarHBondContact O-CA 3.37Å; I195-V376 PolarHBondContact O-N 2.87Å
196E88.4Confident75.8Confident92 Ų9264 Ų6443%0.4332%0.319SS..EExtended strand (participates in β ladder)trans-81.1125.7176-64.7176.9149.700111K198 V376 T378E196-K198 HydrophobicContact CB-CG 4.04Å; E196-K198 PolarHBondContact O-N 2.96Å; E196-K198 WeakPolarHBondContact OE2-CE 3.3Å; E196-K198 IonicContact OE2-NZ 2.72Å; E196-K198 PolarHBondContact OE2-NZ 3.12Å; E196-V376 CarbonylContact C-O 3.6Å; E196-V376 WeakPolarHBondContact CA-O 3.49Å; E196-T378 HydrophobicContact CB-CG2 3.9Å; E196-T378 HydrophobicContact CG-CG2 3.84Å
197V90.2Very high78.2Confident0 Ų060 Ų600%030%0.302CS..EExtended strand (participates in β ladder)trans-89.196.9172-1760000108.1W203 F228 F375 V376 V377 T378V197-W203 HydrophobicContact CG1-CB 4.37Å; V197-W203 HydrophobicContact CG2-CB 4.19Å; V197-W203 HydrophobicContact CG2-CG 4.2Å; V197-F228 HydrophobicContact CG1-CB 4.29Å; V197-F228 HydrophobicContact CG2-CB 4.44Å; V197-F375 HydrophobicContact CG2-CD1 3.99Å; V197-V376 PolarHBondContact N-O 3.17Å; V197-V377 HydrophobicContact CB-CB 4.48Å; V197-V377 HydrophobicContact CB-CG1 4.48Å; V197-V377 HydrophobicContact CB-CG2 4.1Å; V197-V377 HydrophobicContact CG2-CG2 4.24Å; V197-T378 PolarHBondContact O-N 3.14Å; V197-T378 PolarHBondContact O-OG1 2.79Å
198K89.9Confident80.6Confident128 Ų12852.3 Ų52.356%0.55727%0.266SS*.  trans-91.5-1.6-168.2-58-168.7-178.8-159.40115.4E196E196-K198 HydrophobicContact CB-CG 4.04Å; E196-K198 PolarHBondContact O-N 2.96Å; E196-K198 WeakPolarHBondContact OE2-CE 3.3Å; E196-K198 IonicContact OE2-NZ 2.72Å; E196-K198 PolarHBondContact OE2-NZ 3.12Å
199G90.6Very high83Confident11 Ų1144.2 Ų44.211%0.11323%0.234CC..SBendtrans-177.6167-177.400000114Q202 Y229G199-Q202 WeakPolarHBondContact O-CB 3.29Å; G199-Q202 VanDerWaalsContact O-CG 3.23Å; G199-Q202 WeakPolarHBondContact O-CG 3.4Å; G199-Y229 WeakPolarHBondContact O-CB 3.43Å
200A92.5Very high85.2Confident17 Ų1738 Ų3814%0.1421%0.21CC..THydrogen-bonded Turntrans-62.8146.5-177.200000112.8Q202 Y229 L349 L354A200-Q202 PolarHBondContact O-N 3.38Å; A200-Y229 HydrophobicContact CB-CD1 3.85Å; A200-Y229 HydrophobicContact CB-CE1 4.49Å; A200-Y229 VanDerWaalsContact N-CD1 3.26Å; A200-L349 HydrophobicContact CB-CD1 4.16Å; A200-L354 HydrophobicContact CB-CD1 3.76Å; A200-L354 HydrophobicContact CB-CG 4.4Å
201W93.4Very high87.6Confident7 Ų737 Ų373%0.02721%0.209CC..THydrogen-bonded Turntrans55.730.1179.6-149.5-106.3000114.4L204 D227 E234 I253 F257 G258 P260 L349 L354 R361W201-L204 HydrophobicContact CD2-CD1 4.43Å; W201-L204 HydrophobicContact CD2-CD2 4.06Å; W201-L204 HydrophobicContact CE3-CD2 3.81Å; W201-L204 HydrophobicContact CH2-CD1 3.98Å; W201-L204 HydrophobicContact CZ2-CD1 3.8Å; W201-L204 HydrophobicContact CZ3-CD1 4.34Å; W201-L204 HydrophobicContact CZ3-CD2 4.06Å; W201-D227 WeakPolarHBondContact CA-OD1 3.06Å; W201-D227 HydrophobicContact CE3-CB 4.29Å; W201-D227 VanDerWaalsContact N-CG 3.29Å; W201-D227 PolarHBondContact N-OD1 2.88Å; W201-D227 PolarHBondContact N-OD2 3.45Å; W201-E234 HydrophobicContact CH2-CG 4.46Å; W201-I253 HydrophobicContact CH2-CG2 3.8Å; W201-I253 HydrophobicContact CZ2-CG2 3.83Å; W201-F257 HydrophobicContact CD2-CB 4.07Å; W201-F257 HydrophobicContact CH2-CB 3.99Å; W201-F257 HydrophobicContact CH2-CD1 4.48Å; W201-F257 AromaticContact CH2-CD2 3.99Å; W201-F257 HydrophobicContact CH2-CD2 3.99Å; W201-F257 AromaticContact CH2-CG 3.92Å; W201-F257 HydrophobicContact CH2-CG 3.92Å; W201-F257 HydrophobicContact CZ2-CB 3.35Å; W201-F257 HydrophobicContact CZ2-CD2 4.08Å; W201-F257 AromaticContact CZ2-CG 3.81Å; W201-F257 HydrophobicContact CZ2-CG 3.81Å; W201-F257 HydrophobicContact CZ3-CG 4.37Å; W201-G258 PolarHBondContact NE1-O 2.75Å; W201-P260 WeakPolarHBondContact O-CA 3.24Å; W201-L349 HydrophobicContact CB-CD1 4.38Å; W201-L349 HydrophobicContact CE3-CD1 4Å; W201-L354 HydrophobicContact CB-CD1 3.96Å; W201-L354 HydrophobicContact CB-CD2 4.29Å; W201-R361 PolarHBondContact O-NH1 2.83Å
202Q92.4Very high89.4Confident37 Ų3734.4 Ų34.417%0.17319%0.188CC..SBendtrans-91.8-54.8175.2-72.1-171.96.200111.4G199 A200 L261G199-Q202 WeakPolarHBondContact O-CB 3.29Å; G199-Q202 VanDerWaalsContact O-CG 3.23Å; G199-Q202 WeakPolarHBondContact O-CG 3.4Å; A200-Q202 PolarHBondContact O-N 3.38Å; Q202-L261 HydrophobicContact CB-CD1 4.02Å; Q202-L261 HydrophobicContact CB-CG 4.49Å; Q202-L261 HydrophobicContact CG-CD1 4.37Å; Q202-L261 WeakPolarHBondContact O-CA 3.43Å; Q202-L261 VanDerWaalsContact O-CB 3.25Å; Q202-L261 WeakPolarHBondContact O-CB 3.13Å; Q202-L261 PolarHBondContact O-N 3.12Å
203W93.9Very high91Very high4 Ų431.7 Ų31.72%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-127.9117.6-173.6-66.197.5000109.1I195 V197 F228 L261 R262 L264 L363 I370 F375I195-W203 HydrophobicContact CD1-CH2 4.28Å; I195-W203 HydrophobicContact CG2-CH2 4.34Å; I195-W203 HydrophobicContact CG2-CZ2 3.64Å; V197-W203 HydrophobicContact CG1-CB 4.37Å; V197-W203 HydrophobicContact CG2-CB 4.19Å; V197-W203 HydrophobicContact CG2-CG 4.2Å; W203-F228 HydrophobicContact CB-CD2 3.65Å; W203-F228 HydrophobicContact CB-CE2 4.16Å; W203-F228 WeakPolarHBondContact O-CD2 3.19Å; W203-F228 WeakPolarHBondContact O-CG 3.38Å; W203-F228 PolarHBondContact O-N 2.95Å; W203-L261 HydrophobicContact CD2-CB 4.43Å; W203-L261 HydrophobicContact CZ2-CB 4.44Å; W203-L261 HydrophobicContact CZ2-CD1 4.18Å; W203-R262 HydrophobicContact CE3-CB 3.97Å; W203-R262 HydrophobicContact CZ3-CB 3.68Å; W203-R262 HydrophobicContact CZ3-CG 4.06Å; W203-L264 HydrophobicContact CE3-CD2 4.21Å; W203-L264 HydrophobicContact CE3-CG 4.48Å; W203-L264 HydrophobicContact CZ3-CD2 4.17Å; W203-L363 HydrophobicContact CH2-CD2 4.16Å; W203-L363 HydrophobicContact CZ2-CD2 4.05Å; W203-I370 HydrophobicContact CH2-CD1 3.97Å; W203-I370 HydrophobicContact CH2-CG1 4.23Å; W203-I370 HydrophobicContact CH2-CG2 4.33Å; W203-I370 HydrophobicContact CZ3-CD1 4.31Å; W203-I370 HydrophobicContact CZ3-CG2 3.97Å; W203-F375 HydrophobicContact CD2-CD1 4.38Å; W203-F375 AromaticContact CD2-CE1 3.54Å; W203-F375 HydrophobicContact CD2-CE1 3.54Å; W203-F375 HydrophobicContact CD2-CZ 4.36Å; W203-F375 AromaticContact CE2-CE1 3.83Å; W203-F375 AromaticContact CE3-CE1 3.46Å; W203-F375 HydrophobicContact CE3-CE1 3.46Å; W203-F375 VanDerWaalsContact CE3-CE1 3.46Å; W203-F375 AromaticContact CE3-CZ 3.84Å; W203-F375 HydrophobicContact CE3-CZ 3.84Å; W203-F375 HydrophobicContact CG-CE1 4.1Å; W203-F375 AromaticContact CH2-CE1 3.99Å; W203-F375 HydrophobicContact CH2-CE1 3.99Å; W203-F375 HydrophobicContact CH2-CZ 4.06Å; W203-F375 HydrophobicContact CZ2-CE1 4.08Å; W203-F375 AromaticContact CZ3-CE1 3.68Å; W203-F375 HydrophobicContact CZ3-CE1 3.68Å; W203-F375 AromaticContact CZ3-CZ 3.65Å; W203-F375 HydrophobicContact CZ3-CZ 3.65Å
204L95.6Very high91.8Very high1 Ų135.1 Ų35.11%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-107.4145.5-177.8-47.9-176.7000110.6W201 L225 T226 D227 P260 R262 I263 L264W201-L204 HydrophobicContact CD2-CD1 4.43Å; W201-L204 HydrophobicContact CD2-CD2 4.06Å; W201-L204 HydrophobicContact CE3-CD2 3.81Å; W201-L204 HydrophobicContact CH2-CD1 3.98Å; W201-L204 HydrophobicContact CZ2-CD1 3.8Å; W201-L204 HydrophobicContact CZ3-CD1 4.34Å; W201-L204 HydrophobicContact CZ3-CD2 4.06Å; L204-L225 HydrophobicContact CB-CD2 4.31Å; L204-L225 HydrophobicContact CD1-CD1 4.37Å; L204-L225 HydrophobicContact CD1-CD2 4.48Å; L204-T226 CarbonylContact C-O 3.58Å; L204-T226 VanDerWaalsContact CA-O 3.22Å; L204-T226 WeakPolarHBondContact CA-O 3.47Å; L204-D227 HydrophobicContact CD2-CB 3.69Å; L204-P260 HydrophobicContact CD1-CB 3.97Å; L204-P260 HydrophobicContact CD1-CG 3.9Å; L204-P260 HydrophobicContact CG-CB 3.9Å; L204-P260 HydrophobicContact CG-CG 4.29Å; L204-R262 PolarHBondContact N-O 3.01Å; L204-R262 VanDerWaalsContact N-O 3.17Å; L204-I263 HydrophobicContact CB-CG1 4.28Å; L204-I263 HydrophobicContact CD1-CG1 4.32Å; L204-I263 CarbonylContact O-C 3.53Å; L204-I263 WeakPolarHBondContact O-CA 3.49Å; L204-L264 PolarHBondContact O-N 2.82Å
205G95.1Very high92.4Very high5 Ų532.6 Ų32.65%0.05218%0.176CC..EExtended strand (participates in β ladder)trans-96.812916600000111.3L225 T226 L264G205-L225 CarbonylContact O-C 3.55Å; G205-L225 WeakPolarHBondContact O-CA 3.2Å; G205-T226 PolarHBondContact N-O 2.75Å; G205-T226 PolarHBondContact O-N 3.06Å; G205-L264 CarbonylContact C-O 3.54Å
206L95.3Very high92.8Very high1 Ų139.9 Ų39.91%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-106.3118.8175.6174.472000110.8L223 L225 V246 I250 I263 L264 S265 L267 V290L206-L223 HydrophobicContact CD1-CD1 3.53Å; L206-L223 HydrophobicContact CD1-CG 4.27Å; L206-L225 HydrophobicContact CB-CD2 3.9Å; L206-L225 HydrophobicContact CD1-CD2 3.79Å; L206-L225 HydrophobicContact CD1-CG 4.3Å; L206-L225 HydrophobicContact CG-CD2 4.47Å; L206-V246 HydrophobicContact CD2-CG1 4.48Å; L206-I250 HydrophobicContact CD1-CD1 3.97Å; L206-I250 HydrophobicContact CD1-CG1 4.39Å; L206-I250 HydrophobicContact CD2-CD1 3.9Å; L206-I263 HydrophobicContact CB-CG2 3.41Å; L206-I263 VanDerWaalsContact CB-CG2 3.41Å; L206-I263 HydrophobicContact CD2-CG2 4.3Å; L206-I263 HydrophobicContact CG-CG2 4.37Å; L206-L264 PolarHBondContact N-O 3.19Å; L206-S265 PolarHBondContact O-OG 2.86Å; L206-L267 HydrophobicContact CD2-CD1 4.3Å; L206-V290 HydrophobicContact CD2-CG1 3.85Å; L206-V290 HydrophobicContact CD2-CG2 4.39Å
207D91.9Very high93Very high31 Ų3139.8 Ų39.817%0.16622%0.217CC..EExtended strand (participates in β ladder)trans-135.1153.8179.9-159.748000109.8R209 T224 R266D207-R209 IonicContact OD2-CZ 3.7Å; D207-R209 IonicContact OD2-NH1 3.35Å; D207-R209 PolarHBondContact OD2-NH1 2.91Å; D207-R209 IonicContact OD2-NH2 3.71Å; D207-R209 PolarHBondContact OD2-NH2 2.72Å; D207-T224 PolarHBondContact N-O 3.29Å; D207-T224 PolarHBondContact O-N 2.82Å; D207-T224 PolarHBondContact O-OG1 2.98Å; D207-R266 IonicContact OD1-CZ 3.8Å; D207-R266 IonicContact OD1-NE 3.3Å; D207-R266 IonicContact OD1-NH2 3.75Å; D207-R266 PolarHBondContact OD1-NH2 3.34Å; D207-R266 IonicContact OD2-NH2 3.33Å
208V91.9Very high93.2Very high5 Ų540.5 Ų40.53%0.0322%0.224CC..EExtended strand (participates in β ladder)trans-135.6128.5179174.60000109.6I150 I222 L223 M238I150-V208 HydrophobicContact CD1-CB 3.51Å; I150-V208 HydrophobicContact CD1-CG1 3.78Å; I150-V208 VanDerWaalsContact CD1-O 3.25Å; I150-V208 WeakPolarHBondContact CD1-O 3.37Å; V208-I222 CarbonylContact C-O 3.53Å; V208-I222 WeakPolarHBondContact CA-O 3.45Å; V208-L223 HydrophobicContact CG2-CD1 3.48Å; V208-L223 VanDerWaalsContact CG2-CD1 3.48Å; V208-M238 HydrophobicContact CG1-CE 4.04Å; V208-M238 HydrophobicContact CG2-CE 4.31Å
209R92.4Very high93.5Very high21 Ų2135.9 Ų35.98%0.07921%0.205CC..EExtended strand (participates in β ladder)trans-105.8142.3-178.9-68.9168.6169.260.717.5110.8D207 Y221 I222 T224 P304 I307 D308D207-R209 IonicContact OD2-CZ 3.7Å; D207-R209 IonicContact OD2-NH1 3.35Å; D207-R209 PolarHBondContact OD2-NH1 2.91Å; D207-R209 IonicContact OD2-NH2 3.71Å; D207-R209 PolarHBondContact OD2-NH2 2.72Å; R209-Y221 CarbonylContact O-C 3.59Å; R209-Y221 VanDerWaalsContact O-CA 3.22Å; R209-Y221 WeakPolarHBondContact O-CA 3.46Å; R209-I222 HydrophobicContact CB-CB 4.39Å; R209-I222 PolarHBondContact N-O 3.19Å; R209-I222 PolarHBondContact O-N 3.07Å; R209-T224 PolarHBondContact NH1-OG1 3.17Å; R209-P304 PolarHBondContact NH2-O 3.24Å; R209-I307 VanDerWaalsContact NE-CG2 3.34Å; R209-D308 IonicContact CZ-OD1 3.93Å; R209-D308 IonicContact NE-OD1 3.15Å; R209-D308 PolarHBondContact NE-OD1 3.21Å; R209-D308 IonicContact NH2-OD1 3.86Å; R209-D308 PolarHBondContact NH2-OD1 3.35Å; R209-D308 IonicContact NH2-OD2 2.75Å
210G90.4Very high93.6Very high19 Ų1939.9 Ų39.920%0.19622%0.216CC..  trans132.8-176174.600000114.1
211P93.4Very high93.8Very high80 Ų8040.8 Ų40.852%0.51922%0.216SC..PPolyproline II helixcis-68.5134.81.629-35000112.5R220 Y221P211-R220 CarbonylContact C-O 3.48Å; P211-R220 WeakPolarHBondContact CA-O 3.45Å; P211-Y221 HydrophobicContact CB-CE1 4.08Å
212L92.1Very high93.9Very high32 Ų3240.5 Ų40.517%0.16822%0.215CC..PPolyproline II helixtrans-94.1171.2172.9-58.9-177.2000110.1Q214 R220 I222 V311 T315 W322L212-Q214 PolarHBondContact O-N 3.49Å; L212-R220 PolarHBondContact N-O 2.79Å; L212-I222 HydrophobicContact CD1-CD1 3.52Å; L212-I222 HydrophobicContact CD1-CG1 3.78Å; L212-V311 HydrophobicContact CD1-CG1 3.85Å; L212-V311 HydrophobicContact CD2-CG1 3.95Å; L212-T315 HydrophobicContact CB-CG2 4.48Å; L212-T315 HydrophobicContact CD1-CG2 4.29Å; L212-T315 HydrophobicContact CD2-CG2 4.44Å; L212-W322 HydrophobicContact CB-CZ2 4.06Å; L212-W322 HydrophobicContact CD1-CH2 4.15Å; L212-W322 HydrophobicContact CD1-CZ2 3.95Å
213P93.1Very high94.1Very high64 Ų6438.8 Ų38.842%0.41621%0.207SC..PPolyproline II helixtrans-49.7136.1165.8-2736.7000110.9T215 W322P213-T215 PolarHBondContact O-N 2.88Å; P213-W322 PolarHBondContact O-NE1 3.08Å
214Q95Very high94.2Very high123 Ų12338.7 Ų38.758%0.57521%0.207SC*.PPolyproline II helixtrans-77.4124.9-176.9-178.7174.3-34.200110.6L212 H219 R220L212-Q214 PolarHBondContact O-N 3.49Å; Q214-H219 WeakPolarHBondContact CA-O 3.25Å; Q214-R220 HydrophobicContact CB-CG 3.71Å; Q214-R220 HydrophobicContact CG-CG 3.77Å
215T95.6Very high94.3Very high4 Ų438.7 Ų38.73%0.02521%0.207CC..PPolyproline II helixtrans-76.8166.4176.579.40000112P213 N217 G218 H219 A320 W322 D323P213-T215 PolarHBondContact O-N 2.88Å; T215-N217 PolarHBondContact O-N 2.95Å; T215-N217 PolarHBondContact OG1-N 3.25Å; T215-G218 WeakPolarHBondContact O-CA 3.41Å; T215-G218 PolarHBondContact O-N 2.81Å; T215-H219 HydrophobicContact CG2-CB 4.32Å; T215-H219 PolarHBondContact N-O 2.92Å; T215-H219 PolarHBondContact OG1-N 3.35Å; T215-A320 CarbonylContact C-O 3.6Å; T215-A320 WeakPolarHBondContact CA-O 3.34Å; T215-A320 VanDerWaalsContact CB-O 3.22Å; T215-A320 WeakPolarHBondContact CB-O 3.43Å; T215-W322 VanDerWaalsContact CG2-CD1 3.41Å; T215-W322 HydrophobicContact CG2-CD2 3.71Å; T215-W322 HydrophobicContact CG2-CG 3.75Å; T215-W322 HydrophobicContact CG2-CZ2 3.88Å; T215-D323 WeakPolarHBondContact CB-OD1 3.38Å; T215-D323 HydrophobicContact CG2-CB 4.24Å; T215-D323 WeakPolarHBondContact CG2-OD1 3.04Å; T215-D323 PolarHBondContact OG1-OD1 3.07Å
216L94.6Very high94.3Very high155 Ų15539.1 Ų39.181%0.81221%0.209SC*.THydrogen-bonded Turntrans-56.8-29.4174.5-63.8176.1000112.5G218 A320L216-G218 VanDerWaalsContact C-N 3.27Å; L216-G218 PolarHBondContact O-N 2.76Å; L216-A320 PolarHBondContact N-O 3.12Å
217N93.4Very high94.3Very high90 Ų9039 Ų3948%0.48121%0.208SC..THydrogen-bonded Turntrans-83.83.9175.3-62.7-38.9000113.5T215 H219 Q239 D323T215-N217 PolarHBondContact O-N 2.95Å; T215-N217 PolarHBondContact OG1-N 3.25Å; N217-H219 VanDerWaalsContact C-N 3.33Å; N217-H219 PolarHBondContact O-N 2.84Å; N217-Q239 PolarHBondContact O-NE2 3.21Å; N217-Q239 VanDerWaalsContact O-NE2 3.07Å; N217-D323 WeakPolarHBondContact CB-OD2 3.34Å; N217-D323 PolarHBondContact ND2-OD2 2.96Å
218G93.8Very high94.3Very high15 Ų1537.8 Ų37.816%0.15520%0.201CC..  trans80.35.7179.500000115.1T215 L216 Q239T215-G218 WeakPolarHBondContact O-CA 3.41Å; T215-G218 PolarHBondContact O-N 2.81Å; L216-G218 VanDerWaalsContact C-N 3.27Å; L216-G218 PolarHBondContact O-N 2.76Å; G218-Q239 WeakPolarHBondContact O-CA 3.43Å
219H95.9Very high94.4Very high32 Ų3240.8 Ų40.815%0.14821%0.213CC..  trans-70.4137.6178.7-62122.1000110.9Q214 T215 N217 P237 Q239 W322 D323Q214-H219 WeakPolarHBondContact CA-O 3.25Å; T215-H219 HydrophobicContact CG2-CB 4.32Å; T215-H219 PolarHBondContact N-O 2.92Å; T215-H219 PolarHBondContact OG1-N 3.35Å; N217-H219 VanDerWaalsContact C-N 3.33Å; N217-H219 PolarHBondContact O-N 2.84Å; H219-P237 HydrophobicContact CB-CB 4.12Å; H219-Q239 VanDerWaalsContact CD2-CG 3.41Å; H219-Q239 WeakPolarHBondContact CD2-CG 3.32Å; H219-W322 HydrophobicContact CB-CH2 3.83Å; H219-W322 HydrophobicContact CB-CZ2 4.07Å; H219-D323 HydrophobicContact CB-CB 4Å; H219-D323 IonicContact CE1-OD2 3.46Å; H219-D323 PolarHBondContact CE1-OD2 2.96Å; H219-D323 IonicContact CG-OD2 3.88Å; H219-D323 WeakPolarHBondContact ND1-CB 3.29Å; H219-D323 VanDerWaalsContact ND1-CG 3.34Å; H219-D323 IonicContact ND1-OD2 2.73Å; H219-D323 PolarHBondContact ND1-OD2 2.9Å
220R94.6Very high94.4Very high94 Ų9439.8 Ų39.836%0.35521%0.209SC..  trans-141.9-9.1-176.1-68.4-169.9-59.6173.13.9114.2P211 L212 Q214 M238P211-R220 CarbonylContact C-O 3.48Å; P211-R220 WeakPolarHBondContact CA-O 3.45Å; L212-R220 PolarHBondContact N-O 2.79Å; Q214-R220 HydrophobicContact CB-CG 3.71Å; Q214-R220 HydrophobicContact CG-CG 3.77Å; R220-M238 PolarHBondContact N-O 2.83Å
221Y95.8Very high94.6Very high37 Ų3739.7 Ų39.715%0.14520%0.203CC..EExtended strand (participates in β ladder)trans-133.6154-178.6-57.6-86.9000109.8R209 P211 P237 M238 C241R209-Y221 CarbonylContact O-C 3.59Å; R209-Y221 VanDerWaalsContact O-CA 3.22Å; R209-Y221 WeakPolarHBondContact O-CA 3.46Å; P211-Y221 HydrophobicContact CB-CE1 4.08Å; Y221-P237 CarbonylContact O-C 3.46Å; Y221-M238 PolarHBondContact N-O 3.42Å; Y221-M238 PolarHBondContact O-N 2.94Å; Y221-C241 HydrophobicContact CD1-CB 4.35Å; Y221-C241 HydrophobicContact CD2-CB 4.47Å; Y221-C241 HydrophobicContact CE1-CB 4.48Å; Y221-C241 HydrophobicContact CG-CB 4.34Å
222I96.6Very high94.7Very high1 Ų136.5 Ų36.51%0.00518%0.18CC..EExtended strand (participates in β ladder)trans-121.4120.8171.5-60.9172.7000107.7V208 R209 L212 T224 A235 V311 W322 L326V208-I222 CarbonylContact C-O 3.53Å; V208-I222 WeakPolarHBondContact CA-O 3.45Å; R209-I222 HydrophobicContact CB-CB 4.39Å; R209-I222 PolarHBondContact N-O 3.19Å; R209-I222 PolarHBondContact O-N 3.07Å; L212-I222 HydrophobicContact CD1-CD1 3.52Å; L212-I222 HydrophobicContact CD1-CG1 3.78Å; I222-T224 HydrophobicContact CG2-CG2 3.95Å; I222-A235 HydrophobicContact CG2-CB 4.11Å; I222-V311 HydrophobicContact CD1-CG1 4.18Å; I222-V311 HydrophobicContact CD1-CG2 3.73Å; I222-W322 HydrophobicContact CD1-CE3 4.01Å; I222-W322 HydrophobicContact CD1-CH2 4.37Å; I222-W322 HydrophobicContact CD1-CZ3 3.74Å; I222-W322 HydrophobicContact CG1-CE3 4.22Å; I222-W322 HydrophobicContact CG1-CH2 3.78Å; I222-W322 HydrophobicContact CG1-CZ3 3.43Å; I222-W322 VanDerWaalsContact CG1-CZ3 3.43Å; I222-L326 HydrophobicContact CD1-CD1 3.96Å; I222-L326 HydrophobicContact CD1-CD2 4.03Å; I222-L326 HydrophobicContact CG1-CD2 3.97Å; I222-L326 HydrophobicContact CG2-CD1 4.46Å; I222-L326 HydrophobicContact CG2-CD2 3.94Å
223L96.5Very high94.8Very high1 Ų135.1 Ų35.11%0.00517%0.173CC..EExtended strand (participates in β ladder)trans-79.3137.4164.7-171.667.9000108.5L206 V208 A235 V236 M238 V246 N249 I250L206-L223 HydrophobicContact CD1-CD1 3.53Å; L206-L223 HydrophobicContact CD1-CG 4.27Å; V208-L223 HydrophobicContact CG2-CD1 3.48Å; V208-L223 VanDerWaalsContact CG2-CD1 3.48Å; L223-A235 CarbonylContact O-C 3.59Å; L223-A235 WeakPolarHBondContact O-CA 3.4Å; L223-V236 HydrophobicContact CB-CB 4.31Å; L223-V236 PolarHBondContact N-O 3.22Å; L223-V236 PolarHBondContact O-N 3.4Å; L223-M238 HydrophobicContact CB-CE 3.85Å; L223-M238 HydrophobicContact CB-CG 4.33Å; L223-M238 HydrophobicContact CB-SD 3.86Å; L223-M238 HydrophobicContact CD1-CE 4.23Å; L223-M238 HydrophobicContact CD1-SD 4.47Å; L223-M238 HydrophobicContact CD2-SD 4.33Å; L223-M238 HydrophobicContact CG-SD 4.47Å; L223-V246 HydrophobicContact CD1-CG1 4.06Å; L223-V246 HydrophobicContact CD1-CG2 4.29Å; L223-N249 HydrophobicContact CD2-CB 3.44Å; L223-N249 VanDerWaalsContact CD2-CB 3.44Å; L223-I250 HydrophobicContact CD2-CG1 4.45Å
224T96.2Very high95Very high1 Ų134.1 Ų34.11%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-131.2130.5170.651.20000111.4D207 R209 I222 E234 A235 I307D207-T224 PolarHBondContact N-O 3.29Å; D207-T224 PolarHBondContact O-N 2.82Å; D207-T224 PolarHBondContact O-OG1 2.98Å; R209-T224 PolarHBondContact NH1-OG1 3.17Å; I222-T224 HydrophobicContact CG2-CG2 3.95Å; T224-E234 CarbonylContact C-O 3.58Å; T224-E234 VanDerWaalsContact CA-O 3.3Å; T224-E234 WeakPolarHBondContact CA-O 3.12Å; T224-A235 HydrophobicContact CG2-CB 3.9Å; T224-I307 HydrophobicContact CG2-CD1 4.46Å; T224-I307 HydrophobicContact CG2-CG2 4.13Å
225L96.3Very high95.1Very high2 Ų228.9 Ų28.91%0.0114%0.141CC..EExtended strand (participates in β ladder)trans-109.8120.5165.2-80.2179.3000108.9L204 G205 L206 V233 E234 I250 I253 I263L204-L225 HydrophobicContact CB-CD2 4.31Å; L204-L225 HydrophobicContact CD1-CD1 4.37Å; L204-L225 HydrophobicContact CD1-CD2 4.48Å; G205-L225 CarbonylContact O-C 3.55Å; G205-L225 WeakPolarHBondContact O-CA 3.2Å; L206-L225 HydrophobicContact CB-CD2 3.9Å; L206-L225 HydrophobicContact CD1-CD2 3.79Å; L206-L225 HydrophobicContact CD1-CG 4.3Å; L206-L225 HydrophobicContact CG-CD2 4.47Å; L225-V233 WeakPolarHBondContact O-CA 3.25Å; L225-E234 HydrophobicContact CB-CB 4.39Å; L225-E234 PolarHBondContact N-O 3.25Å; L225-E234 PolarHBondContact O-N 2.77Å; L225-I250 HydrophobicContact CD1-CG1 4.27Å; L225-I253 HydrophobicContact CD1-CB 4.3Å; L225-I253 HydrophobicContact CD1-CD1 3.86Å; L225-I253 HydrophobicContact CD1-CG2 3.94Å; L225-I263 HydrophobicContact CD2-CD1 4.28Å; L225-I263 HydrophobicContact CD2-CG2 3.58Å
226T95.3Very high95.1Very high13 Ų1330.2 Ų30.28%0.0815%0.149CC..EExtended strand (participates in β ladder)trans-114.6125.9-180-57.50000110.6L204 G205 W232 V233 T303L204-T226 CarbonylContact C-O 3.58Å; L204-T226 VanDerWaalsContact CA-O 3.22Å; L204-T226 WeakPolarHBondContact CA-O 3.47Å; G205-T226 PolarHBondContact N-O 2.75Å; G205-T226 PolarHBondContact O-N 3.06Å; T226-W232 CarbonylContact C-O 3.54Å; T226-W232 VanDerWaalsContact CA-O 3.24Å; T226-W232 WeakPolarHBondContact CA-O 3.33Å; T226-V233 HydrophobicContact CG2-CG2 4.25Å; T226-T303 HydrophobicContact CG2-CG2 3.68Å
227D94.9Very high95.2Very high0 Ų024.4 Ų24.40%012%0.12CC..EExtended strand (participates in β ladder)trans-79.9123.4172.6176.853.5000110.9W201 L204 Y229 S230 R231 W232W201-D227 WeakPolarHBondContact CA-OD1 3.06Å; W201-D227 HydrophobicContact CE3-CB 4.29Å; W201-D227 VanDerWaalsContact N-CG 3.29Å; W201-D227 PolarHBondContact N-OD1 2.88Å; W201-D227 PolarHBondContact N-OD2 3.45Å; L204-D227 HydrophobicContact CD2-CB 3.69Å; D227-Y229 VanDerWaalsContact C-N 3.27Å; D227-Y229 PolarHBondContact O-N 2.9Å; D227-S230 WeakPolarHBondContact CB-OG 3.47Å; D227-S230 VanDerWaalsContact OD2-CB 3.27Å; D227-S230 WeakPolarHBondContact OD2-CB 3.3Å; D227-S230 PolarHBondContact OD2-N 3.47Å; D227-S230 PolarHBondContact OD2-OG 2.74Å; D227-R231 WeakPolarHBondContact O-CA 3.34Å; D227-R231 PolarHBondContact O-N 2.72Å; D227-W232 HydrophobicContact CB-CB 4.35Å; D227-W232 PolarHBondContact N-O 3.44Å
228F93.6Very high95.3Very high4 Ų420.4 Ų20.42%0.01810%0.099CC..THydrogen-bonded Turntrans-68.8-24.3-175.1-61-44000113.8V197 W203 R231 L264 T296 V299 V377V197-F228 HydrophobicContact CG1-CB 4.29Å; V197-F228 HydrophobicContact CG2-CB 4.44Å; W203-F228 HydrophobicContact CB-CD2 3.65Å; W203-F228 HydrophobicContact CB-CE2 4.16Å; W203-F228 WeakPolarHBondContact O-CD2 3.19Å; W203-F228 WeakPolarHBondContact O-CG 3.38Å; W203-F228 PolarHBondContact O-N 2.95Å; F228-R231 PolarHBondContact O-NE 3.26Å; F228-R231 PolarHBondContact O-NH1 2.9Å; F228-R231 PolarHBondContact O-NH2 2.77Å; F228-L264 HydrophobicContact CE2-CB 4.39Å; F228-L264 HydrophobicContact CE2-CD1 3.63Å; F228-L264 HydrophobicContact CE2-CG 4.04Å; F228-L264 HydrophobicContact CZ-CB 4.33Å; F228-L264 HydrophobicContact CZ-CD1 4.11Å; F228-L264 HydrophobicContact CZ-CG 4.46Å; F228-T296 HydrophobicContact CZ-CG2 4.2Å; F228-V299 HydrophobicContact CB-CG1 4.01Å; F228-V299 HydrophobicContact CD1-CB 3.97Å; F228-V299 HydrophobicContact CD1-CG1 4.02Å; F228-V299 HydrophobicContact CD2-CB 4.49Å; F228-V299 HydrophobicContact CD2-CG1 4.04Å; F228-V299 HydrophobicContact CE1-CB 4.04Å; F228-V299 HydrophobicContact CE1-CG2 4.37Å; F228-V299 HydrophobicContact CE2-CG2 4.4Å; F228-V299 HydrophobicContact CG-CB 4.21Å; F228-V299 HydrophobicContact CG-CG1 3.77Å; F228-V299 HydrophobicContact CZ-CB 4.37Å; F228-V299 HydrophobicContact CZ-CG2 4.23Å; F228-V377 HydrophobicContact CB-CG2 4.17Å; F228-V377 WeakPolarHBondContact O-CG2 3.35Å
229Y93.1Very high95.3Very high68 Ų6824.8 Ų24.827%0.26712%0.115SC..THydrogen-bonded Turntrans-81.2-64.4179.5-174.3-93.7000111.4G199 A200 D227 R231 L348 V377G199-Y229 WeakPolarHBondContact O-CB 3.43Å; A200-Y229 HydrophobicContact CB-CD1 3.85Å; A200-Y229 HydrophobicContact CB-CE1 4.49Å; A200-Y229 VanDerWaalsContact N-CD1 3.26Å; D227-Y229 VanDerWaalsContact C-N 3.27Å; D227-Y229 PolarHBondContact O-N 2.9Å; Y229-R231 VanDerWaalsContact C-N 3.29Å; Y229-R231 PolarHBondContact O-N 3.33Å; Y229-L348 HydrophobicContact CE1-CD2 4.37Å; Y229-V377 HydrophobicContact CD2-CG1 4.01Å
230S93.1Very high94.9Very high0 Ų025.3 Ų25.30%012%0.122CC..THydrogen-bonded Turntrans-73.9-18.4-176.764.10000113.8D227 W232 P345D227-S230 WeakPolarHBondContact CB-OG 3.47Å; D227-S230 VanDerWaalsContact OD2-CB 3.27Å; D227-S230 WeakPolarHBondContact OD2-CB 3.3Å; D227-S230 PolarHBondContact OD2-N 3.47Å; D227-S230 PolarHBondContact OD2-OG 2.74Å; S230-W232 PolarHBondContact O-N 2.58Å; S230-W232 VanDerWaalsContact OG-CB 3.29Å; S230-W232 WeakPolarHBondContact OG-CB 3.21Å; S230-W232 PolarHBondContact OG-N 2.81Å; S230-P345 VanDerWaalsContact O-CA 3.23Å; S230-P345 WeakPolarHBondContact O-CA 2.83Å; S230-P345 WeakPolarHBondContact O-CB 3.36Å
231R93.6Very high94.6Very high18 Ų1822.7 Ų22.77%0.06812%0.118CC..  trans64.620.6-170.5-40.4-70.7165.9171-1112.5D227 F228 Y229 V299 D300 T341 P345D227-R231 WeakPolarHBondContact O-CA 3.34Å; D227-R231 PolarHBondContact O-N 2.72Å; F228-R231 PolarHBondContact O-NE 3.26Å; F228-R231 PolarHBondContact O-NH1 2.9Å; F228-R231 PolarHBondContact O-NH2 2.77Å; Y229-R231 VanDerWaalsContact C-N 3.29Å; Y229-R231 PolarHBondContact O-N 3.33Å; R231-V299 PolarHBondContact NH1-O 3.5Å; R231-D300 WeakPolarHBondContact CD-OD2 3.48Å; R231-D300 IonicContact CZ-OD2 3.12Å; R231-D300 IonicContact NE-OD2 2.72Å; R231-D300 IonicContact NH1-OD1 2.65Å; R231-D300 IonicContact NH1-OD2 3.87Å; R231-D300 PolarHBondContact NH1-OD2 3.09Å; R231-T341 HydrophobicContact CG-CG2 4.17Å; R231-P345 HydrophobicContact CB-CG 4.16Å; R231-P345 WeakPolarHBondContact O-CG 3.21Å
232W95Very high94.4Very high12 Ų1225 Ų255%0.04513%0.133CC..  trans-66.7146.4173.8-177-92.9000110.8T226 D227 S230 E234 F257 F331 C334 P345 F346 L349T226-W232 CarbonylContact C-O 3.54Å; T226-W232 VanDerWaalsContact CA-O 3.24Å; T226-W232 WeakPolarHBondContact CA-O 3.33Å; D227-W232 HydrophobicContact CB-CB 4.35Å; D227-W232 PolarHBondContact N-O 3.44Å; S230-W232 PolarHBondContact O-N 2.58Å; S230-W232 VanDerWaalsContact OG-CB 3.29Å; S230-W232 WeakPolarHBondContact OG-CB 3.21Å; S230-W232 PolarHBondContact OG-N 2.81Å; W232-E234 PolarHBondContact NE1-OE1 3.38Å; W232-F257 HydrophobicContact CZ2-CZ 4.43Å; W232-F257 AromaticContact NE1-CZ 3.97Å; W232-F331 HydrophobicContact CH2-CD2 4.26Å; W232-F331 HydrophobicContact CH2-CE2 4.12Å; W232-C334 HydrophobicContact CD2-CB 4.43Å; W232-C334 HydrophobicContact CE3-CB 3.71Å; W232-C334 HydrophobicContact CH2-CB 4.13Å; W232-C334 HydrophobicContact CZ3-CB 3.53Å; W232-P345 HydrophobicContact CB-CB 4.4Å; W232-P345 HydrophobicContact CE3-CB 4.24Å; W232-F346 HydrophobicContact CH2-CD2 4.29Å; W232-F346 HydrophobicContact CZ3-CB 4.03Å; W232-F346 AromaticContact CZ3-CD2 3.96Å; W232-F346 HydrophobicContact CZ3-CD2 3.96Å; W232-F346 HydrophobicContact CZ3-CG 4.5Å; W232-L349 HydrophobicContact CB-CB 4.41Å; W232-L349 HydrophobicContact CB-CD1 4.42Å; W232-L349 HydrophobicContact CB-CD2 4.02Å; W232-L349 HydrophobicContact CD2-CB 4.5Å; W232-L349 HydrophobicContact CD2-CD2 3.49Å; W232-L349 VanDerWaalsContact CD2-CD2 3.49Å; W232-L349 HydrophobicContact CE3-CB 4.26Å; W232-L349 HydrophobicContact CE3-CD2 3.96Å; W232-L349 HydrophobicContact CG-CD2 3.51Å; W232-L349 HydrophobicContact CG-CG 4.48Å
233V95.9Very high94.2Very high3 Ų326.3 Ų26.32%0.01814%0.141CC..EExtended strand (participates in β ladder)trans-129.4117.8179.9-177.10000109.6L225 T226 T303 I307 V330L225-V233 WeakPolarHBondContact O-CA 3.25Å; T226-V233 HydrophobicContact CG2-CG2 4.25Å; V233-T303 HydrophobicContact CG2-CG2 3.4Å; V233-I307 HydrophobicContact CG1-CD1 3.79Å; V233-I307 HydrophobicContact CG1-CG1 4.23Å; V233-I307 HydrophobicContact CG2-CD1 3.97Å; V233-I307 HydrophobicContact CG2-CG1 4.38Å; V233-V330 HydrophobicContact CB-CG1 4.32Å; V233-V330 HydrophobicContact CG1-CG1 4.18Å; V233-V330 WeakPolarHBondContact O-CG1 3.17Å
234E96.2Very high94Very high43 Ų4328.4 Ų28.420%0.20116%0.156CC..EExtended strand (participates in β ladder)trans-93.3134.5159.6-75.5-55.8141.200109.4W201 T224 L225 W232 I253 F257W201-E234 HydrophobicContact CH2-CG 4.46Å; T224-E234 CarbonylContact C-O 3.58Å; T224-E234 VanDerWaalsContact CA-O 3.3Å; T224-E234 WeakPolarHBondContact CA-O 3.12Å; L225-E234 HydrophobicContact CB-CB 4.39Å; L225-E234 PolarHBondContact N-O 3.25Å; L225-E234 PolarHBondContact O-N 2.77Å; W232-E234 PolarHBondContact NE1-OE1 3.38Å; E234-I253 HydrophobicContact CB-CD1 3.95Å; E234-I253 HydrophobicContact CB-CG1 4.5Å; E234-I253 HydrophobicContact CG-CG2 4.23Å; E234-F257 HydrophobicContact CG-CE2 3.87Å; E234-F257 HydrophobicContact CG-CZ 4.32Å; E234-F257 WeakPolarHBondContact OE1-CE2 3.3Å; E234-F257 WeakPolarHBondContact OE1-CZ 3.47Å
235A96.8Very high93.9Very high14 Ų1430.3 Ų30.312%0.11617%0.166CC..EExtended strand (participates in β ladder)trans-137.9132.9178.900000112.1I222 L223 T224 L326 V330I222-A235 HydrophobicContact CG2-CB 4.11Å; L223-A235 CarbonylContact O-C 3.59Å; L223-A235 WeakPolarHBondContact O-CA 3.4Å; T224-A235 HydrophobicContact CG2-CB 3.9Å; A235-L326 HydrophobicContact CB-CD1 4.4Å; A235-V330 HydrophobicContact CB-CB 4.45Å; A235-V330 HydrophobicContact CB-CG1 4.08Å; A235-V330 HydrophobicContact CB-CG2 3.59Å
236V96.4Very high93.8Very high32 Ų3230.3 Ų30.319%0.19417%0.166CC..EExtended strand (participates in β ladder)trans-128.6127.8-173.3-172.30000110.3L223 N249 I253L223-V236 HydrophobicContact CB-CB 4.31Å; L223-V236 PolarHBondContact N-O 3.22Å; L223-V236 PolarHBondContact O-N 3.4Å; V236-N249 HydrophobicContact CG1-CB 4.4Å; V236-I253 HydrophobicContact CG2-CD1 3.98Å
237P96.7Very high93.9Very high32 Ų3229.7 Ų29.721%0.20816%0.162CC..EExtended strand (participates in β ladder)trans-72.2140.7173.931.7-33.6000110.5H219 Y221 W322 D323 L326H219-P237 HydrophobicContact CB-CB 4.12Å; Y221-P237 CarbonylContact O-C 3.46Å; P237-W322 HydrophobicContact CB-CH2 4.24Å; P237-W322 HydrophobicContact CB-CZ3 3.84Å; P237-D323 HydrophobicContact CB-CB 3.77Å; P237-D323 HydrophobicContact CG-CB 4.14Å; P237-L326 HydrophobicContact CB-CD2 4.25Å
238M95Very high93.9Very high6 Ų635 Ų353%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-135.6143179.9-53-171.3-62.500111.8V208 R220 Y221 L223 S240 V246 N249V208-M238 HydrophobicContact CG1-CE 4.04Å; V208-M238 HydrophobicContact CG2-CE 4.31Å; R220-M238 PolarHBondContact N-O 2.83Å; Y221-M238 PolarHBondContact N-O 3.42Å; Y221-M238 PolarHBondContact O-N 2.94Å; L223-M238 HydrophobicContact CB-CE 3.85Å; L223-M238 HydrophobicContact CB-CG 4.33Å; L223-M238 HydrophobicContact CB-SD 3.86Å; L223-M238 HydrophobicContact CD1-CE 4.23Å; L223-M238 HydrophobicContact CD1-SD 4.47Å; L223-M238 HydrophobicContact CD2-SD 4.33Å; L223-M238 HydrophobicContact CG-SD 4.47Å; M238-S240 WeakPolarHBondContact CB-O 3.48Å; M238-V246 HydrophobicContact CE-CG2 4.14Å; M238-V246 HydrophobicContact SD-CG2 4.18Å; M238-N249 WeakPolarHBondContact CG-ND2 3.3Å; M238-N249 PolarHBondContact SD-ND2 3.02Å; M238-N249 VanDerWaalsContact SD-ND2 3.38Å
239Q93.4Very high94Very high108 Ų10836 Ų3651%0.50519%0.191SC..SBendtrans-81.6-33.5177.5-54.8-178.33.400111.5N217 G218 H219N217-Q239 PolarHBondContact O-NE2 3.21Å; N217-Q239 VanDerWaalsContact O-NE2 3.07Å; G218-Q239 WeakPolarHBondContact O-CA 3.43Å; H219-Q239 VanDerWaalsContact CD2-CG 3.41Å; H219-Q239 WeakPolarHBondContact CD2-CG 3.32Å
240S88.6Confident94.2Very high42 Ų4232.8 Ų32.829%0.29418%0.178SC..  trans-134.1159.5177.4430000110.9M238 D245M238-S240 WeakPolarHBondContact CB-O 3.48Å; S240-D245 WeakPolarHBondContact CB-OD2 3.5Å; S240-D245 PolarHBondContact OG-OD2 2.93Å
241C88.3Confident94.3Very high40 Ų4033.2 Ų33.227%0.2718%0.182SC..  trans-11045.3176.6-174.20000110.2Y221Y221-C241 HydrophobicContact CD1-CB 4.35Å; Y221-C241 HydrophobicContact CD2-CB 4.47Å; Y221-C241 HydrophobicContact CE1-CB 4.48Å; Y221-C241 HydrophobicContact CG-CB 4.34Å
242L90.1Very high94.4Very high85 Ų8535.8 Ų35.845%0.44520%0.197SC..  trans-77.6150.3175.9-58.9174.1000110S244 D245 V246L242-S244 PolarHBondContact O-N 3.43Å; L242-S244 VanDerWaalsContact O-N 3.14Å; L242-D245 VanDerWaalsContact CB-OD2 3.3Å; L242-D245 WeakPolarHBondContact CB-OD2 3.29Å; L242-D245 PolarHBondContact N-OD2 3.03Å; L242-D245 PolarHBondContact O-N 3.37Å; L242-V246 PolarHBondContact O-N 3.3Å; L242-V246 VanDerWaalsContact O-N 3.1Å
243P92.6Very high94.4Very high29 Ų2935.8 Ų35.819%0.18820%0.198CC..Hα-helixtrans-54.9-30.8176-29.136.8000114.3A247 R274 I275 E278P243-A247 WeakPolarHBondContact O-CB 3.2Å; P243-A247 PolarHBondContact O-N 2.94Å; P243-R274 HydrophobicContact CB-CB 3.71Å; P243-R274 HydrophobicContact CG-CB 3.75Å; P243-I275 HydrophobicContact CB-CG1 3.93Å; P243-E278 HydrophobicContact CB-CG 4.33Å
244S93.6Very high94.4Very high44 Ų4435.8 Ų35.831%0.30820%0.198SC..Hα-helixtrans-64.6-45174.148.80000112.4L242 A247 K248L242-S244 PolarHBondContact O-N 3.43Å; L242-S244 VanDerWaalsContact O-N 3.14Å; S244-A247 PolarHBondContact O-N 3.3Å; S244-K248 WeakPolarHBondContact O-CB 3.4Å; S244-K248 PolarHBondContact O-N 2.98Å
245D92.7Very high94.2Very high42 Ų4237.8 Ų37.823%0.22522%0.222CC..Hα-helixtrans-69.1-44-176.5-44.7-25.7000109.5S240 L242 K248 N249S240-D245 WeakPolarHBondContact CB-OD2 3.5Å; S240-D245 PolarHBondContact OG-OD2 2.93Å; L242-D245 VanDerWaalsContact CB-OD2 3.3Å; L242-D245 WeakPolarHBondContact CB-OD2 3.29Å; L242-D245 PolarHBondContact N-OD2 3.03Å; L242-D245 PolarHBondContact O-N 3.37Å; D245-K248 PolarHBondContact O-N 2.96Å; D245-N249 PolarHBondContact O-N 2.95Å; D245-N249 PolarHBondContact O-ND2 3.48Å; D245-N249 VanDerWaalsContact O-ND2 3.07Å
246V95.3Very high93.9Very high2 Ų243.8 Ų43.81%0.01225%0.247CC..Hα-helixtrans-62-46.9174.6173.40000111L206 L223 M238 L242 N249 I250 I275L206-V246 HydrophobicContact CD2-CG1 4.48Å; L223-V246 HydrophobicContact CD1-CG1 4.06Å; L223-V246 HydrophobicContact CD1-CG2 4.29Å; M238-V246 HydrophobicContact CE-CG2 4.14Å; M238-V246 HydrophobicContact SD-CG2 4.18Å; L242-V246 PolarHBondContact O-N 3.3Å; L242-V246 VanDerWaalsContact O-N 3.1Å; V246-N249 PolarHBondContact O-N 3.15Å; V246-I250 HydrophobicContact CG1-CD1 3.66Å; V246-I250 HydrophobicContact CG1-CG1 4.43Å; V246-I250 WeakPolarHBondContact O-CB 3.36Å; V246-I250 VanDerWaalsContact O-CG1 3.24Å; V246-I250 WeakPolarHBondContact O-CG1 3.41Å; V246-I250 PolarHBondContact O-N 3.18Å; V246-I275 HydrophobicContact CB-CD1 4.33Å; V246-I275 HydrophobicContact CB-CG1 4.33Å; V246-I275 HydrophobicContact CG1-CD1 3.72Å; V246-I275 HydrophobicContact CG1-CG1 4.05Å; V246-I275 HydrophobicContact CG1-CG2 4.16Å
247A96.3Very high93.6Very high0 Ų045 Ų450%025%0.25CC..Hα-helixtrans-63.6-42.7178.500000112.6P243 S244 I250 A251 I275 E278 L279P243-A247 WeakPolarHBondContact O-CB 3.2Å; P243-A247 PolarHBondContact O-N 2.94Å; S244-A247 PolarHBondContact O-N 3.3Å; A247-I250 PolarHBondContact O-N 3.39Å; A247-A251 WeakPolarHBondContact O-CB 3.36Å; A247-A251 PolarHBondContact O-N 3.08Å; A247-I275 HydrophobicContact CB-CG2 4.43Å; A247-E278 HydrophobicContact CB-CB 3.54Å; A247-L279 HydrophobicContact CB-CD2 4.05Å; A247-L279 HydrophobicContact CB-CG 3.8Å; A247-L279 WeakPolarHBondContact O-CD2 3.4Å
248K95.9Very high93.4Very high110 Ų11043.7 Ų43.748%0.47824%0.242SC..Hα-helixtrans-58.2-52.1175.5-176-166.2168.5-165.10111S244 D245 I250 A251 D252S244-K248 WeakPolarHBondContact O-CB 3.4Å; S244-K248 PolarHBondContact O-N 2.98Å; D245-K248 PolarHBondContact O-N 2.96Å; K248-I250 VanDerWaalsContact C-N 3.33Å; K248-I250 PolarHBondContact O-N 3.36Å; K248-A251 WeakPolarHBondContact O-CB 3.39Å; K248-A251 PolarHBondContact O-N 3.35Å; K248-A251 VanDerWaalsContact O-N 3.11Å; K248-D252 WeakPolarHBondContact CE-OD2 3.42Å; K248-D252 PolarHBondContact O-N 2.9Å
249N96.3Very high93.4Very high26 Ų2644.6 Ų44.614%0.13925%0.246CC..Hα-helixtrans-63.8-37.3-178.7-69.9-36.6000112.4L223 V236 M238 D245 V246 I253L223-N249 HydrophobicContact CD2-CB 3.44Å; L223-N249 VanDerWaalsContact CD2-CB 3.44Å; V236-N249 HydrophobicContact CG1-CB 4.4Å; M238-N249 WeakPolarHBondContact CG-ND2 3.3Å; M238-N249 PolarHBondContact SD-ND2 3.02Å; M238-N249 VanDerWaalsContact SD-ND2 3.38Å; D245-N249 PolarHBondContact O-N 2.95Å; D245-N249 PolarHBondContact O-ND2 3.48Å; D245-N249 VanDerWaalsContact O-ND2 3.07Å; V246-N249 PolarHBondContact O-N 3.15Å; N249-I253 VanDerWaalsContact O-CG1 3.31Å; N249-I253 WeakPolarHBondContact O-CG1 3.4Å; N249-I253 PolarHBondContact O-N 3.32Å
250I96.7Very high93.4Very high0 Ų039.5 Ų39.50%022%0.222CC..Hα-helixtrans-64.5-42.3172.6-69168.3000110.9L206 L223 L225 V246 A247 K248 I253 I254 I263 I275 L279 V290L206-I250 HydrophobicContact CD1-CD1 3.97Å; L206-I250 HydrophobicContact CD1-CG1 4.39Å; L206-I250 HydrophobicContact CD2-CD1 3.9Å; L223-I250 HydrophobicContact CD2-CG1 4.45Å; L225-I250 HydrophobicContact CD1-CG1 4.27Å; V246-I250 HydrophobicContact CG1-CD1 3.66Å; V246-I250 HydrophobicContact CG1-CG1 4.43Å; V246-I250 WeakPolarHBondContact O-CB 3.36Å; V246-I250 VanDerWaalsContact O-CG1 3.24Å; V246-I250 WeakPolarHBondContact O-CG1 3.41Å; V246-I250 PolarHBondContact O-N 3.18Å; A247-I250 PolarHBondContact O-N 3.39Å; K248-I250 VanDerWaalsContact C-N 3.33Å; K248-I250 PolarHBondContact O-N 3.36Å; I250-I253 PolarHBondContact O-N 3.37Å; I250-I254 HydrophobicContact CG2-CD1 3.73Å; I250-I254 HydrophobicContact CG2-CG1 4.44Å; I250-I254 VanDerWaalsContact O-CG1 3.29Å; I250-I254 WeakPolarHBondContact O-CG1 3.38Å; I250-I254 PolarHBondContact O-N 3.12Å; I250-I263 HydrophobicContact CG2-CD1 3.64Å; I250-I275 HydrophobicContact CD1-CG2 4.19Å; I250-L279 HydrophobicContact CB-CD2 4.01Å; I250-L279 HydrophobicContact CG2-CD1 4.11Å; I250-L279 HydrophobicContact CG2-CD2 3.77Å; I250-V290 HydrophobicContact CD1-CG2 4.23Å
251A95.9Very high93.6Very high10 Ų1038.5 Ų38.58%0.08321%0.213CC..Hα-helixtrans-65.4-40.7177.600000112.2A247 K248 I254 A255 L279 H282 L283A247-A251 WeakPolarHBondContact O-CB 3.36Å; A247-A251 PolarHBondContact O-N 3.08Å; K248-A251 WeakPolarHBondContact O-CB 3.39Å; K248-A251 PolarHBondContact O-N 3.35Å; K248-A251 VanDerWaalsContact O-N 3.11Å; A251-I254 PolarHBondContact O-N 3.46Å; A251-A255 WeakPolarHBondContact O-CB 3.2Å; A251-A255 PolarHBondContact O-N 2.99Å; A251-L279 HydrophobicContact CB-CD2 4.24Å; A251-H282 HydrophobicContact CB-CB 3.91Å; A251-L283 HydrophobicContact CB-CD2 3.87Å; A251-L283 HydrophobicContact CB-CG 4.3Å
252D95.5Very high93.9Very high72 Ų7237.7 Ų37.739%0.38520%0.204SC..Hα-helixtrans-61.7-42.7174-69.4-23.1000110.4K248 A255 H256K248-D252 WeakPolarHBondContact CE-OD2 3.42Å; K248-D252 PolarHBondContact O-N 2.9Å; D252-A255 WeakPolarHBondContact O-CB 3.4Å; D252-A255 PolarHBondContact O-N 2.85Å; D252-H256 PolarHBondContact O-CE1 2.83Å; D252-H256 PolarHBondContact O-N 3.28Å; D252-H256 PolarHBondContact O-ND1 2.68Å
253I95.1Very high94.2Very high11 Ų1133.6 Ų33.66%0.05618%0.183CC..Hα-helixtrans-65.1-42.7175.5-69.6165000111.7W201 L225 E234 V236 N249 I250 A255 H256 F257W201-I253 HydrophobicContact CH2-CG2 3.8Å; W201-I253 HydrophobicContact CZ2-CG2 3.83Å; L225-I253 HydrophobicContact CD1-CB 4.3Å; L225-I253 HydrophobicContact CD1-CD1 3.86Å; L225-I253 HydrophobicContact CD1-CG2 3.94Å; E234-I253 HydrophobicContact CB-CD1 3.95Å; E234-I253 HydrophobicContact CB-CG1 4.5Å; E234-I253 HydrophobicContact CG-CG2 4.23Å; V236-I253 HydrophobicContact CG2-CD1 3.98Å; N249-I253 VanDerWaalsContact O-CG1 3.31Å; N249-I253 WeakPolarHBondContact O-CG1 3.4Å; N249-I253 PolarHBondContact O-N 3.32Å; I250-I253 PolarHBondContact O-N 3.37Å; I253-A255 VanDerWaalsContact C-N 3.27Å; I253-A255 PolarHBondContact O-N 3.34Å; I253-H256 PolarHBondContact O-N 3.2Å; I253-H256 VanDerWaalsContact O-N 3.13Å; I253-F257 HydrophobicContact CG2-CD2 4.11Å; I253-F257 PolarHBondContact O-N 3.01Å
254I94.3Very high94.3Very high4 Ų432.2 Ų32.22%0.02117%0.174CC..Hα-helixtrans-62.4-33.8175.2-71166.3000111.5I250 A251 H256 G258 Y259 L283 L289I250-I254 HydrophobicContact CG2-CD1 3.73Å; I250-I254 HydrophobicContact CG2-CG1 4.44Å; I250-I254 VanDerWaalsContact O-CG1 3.29Å; I250-I254 WeakPolarHBondContact O-CG1 3.38Å; I250-I254 PolarHBondContact O-N 3.12Å; A251-I254 PolarHBondContact O-N 3.46Å; I254-H256 VanDerWaalsContact C-N 3.26Å; I254-H256 PolarHBondContact O-N 3.35Å; I254-G258 WeakPolarHBondContact O-CA 3.33Å; I254-G258 PolarHBondContact O-N 3.42Å; I254-Y259 HydrophobicContact CG2-CD1 4.14Å; I254-Y259 HydrophobicContact CG2-CD2 3.64Å; I254-Y259 HydrophobicContact CG2-CE1 4.22Å; I254-Y259 HydrophobicContact CG2-CE2 3.69Å; I254-Y259 HydrophobicContact CG2-CG 3.89Å; I254-L283 HydrophobicContact CD1-CD1 3.99Å; I254-L283 HydrophobicContact CG2-CD2 4.19Å; I254-L289 HydrophobicContact CD1-CD1 3.57Å
255A92.8Very high94.2Very high85 Ų8530.1 Ų30.170%0.70216%0.159SC*.Hα-helixtrans-66-27.117600000113.2A251 D252 I253A251-A255 WeakPolarHBondContact O-CB 3.2Å; A251-A255 PolarHBondContact O-N 2.99Å; D252-A255 WeakPolarHBondContact O-CB 3.4Å; D252-A255 PolarHBondContact O-N 2.85Å; I253-A255 VanDerWaalsContact C-N 3.27Å; I253-A255 PolarHBondContact O-N 3.34Å
256H90.1Very high94.1Very high140 Ų14032.1 Ų32.165%0.64816%0.164SC*.Hα-helixtrans-86.8-46.7177.6-64.3102.5000113D252 I253 I254D252-H256 PolarHBondContact O-CE1 2.83Å; D252-H256 PolarHBondContact O-N 3.28Å; D252-H256 PolarHBondContact O-ND1 2.68Å; I253-H256 PolarHBondContact O-N 3.2Å; I253-H256 VanDerWaalsContact O-N 3.13Å; I254-H256 VanDerWaalsContact C-N 3.26Å; I254-H256 PolarHBondContact O-N 3.35Å
257F91.1Very high93.8Very high57 Ų5732.8 Ų32.825%0.2517%0.167CC..Hα-helixtrans-102.7-12.3-172.1-67.8-88.1000114.7W201 W232 E234 I253 L349W201-F257 HydrophobicContact CD2-CB 4.07Å; W201-F257 HydrophobicContact CH2-CB 3.99Å; W201-F257 HydrophobicContact CH2-CD1 4.48Å; W201-F257 AromaticContact CH2-CD2 3.99Å; W201-F257 HydrophobicContact CH2-CD2 3.99Å; W201-F257 AromaticContact CH2-CG 3.92Å; W201-F257 HydrophobicContact CH2-CG 3.92Å; W201-F257 HydrophobicContact CZ2-CB 3.35Å; W201-F257 HydrophobicContact CZ2-CD2 4.08Å; W201-F257 AromaticContact CZ2-CG 3.81Å; W201-F257 HydrophobicContact CZ2-CG 3.81Å; W201-F257 HydrophobicContact CZ3-CG 4.37Å; W232-F257 HydrophobicContact CZ2-CZ 4.43Å; W232-F257 AromaticContact NE1-CZ 3.97Å; E234-F257 HydrophobicContact CG-CE2 3.87Å; E234-F257 HydrophobicContact CG-CZ 4.32Å; E234-F257 WeakPolarHBondContact OE1-CE2 3.3Å; E234-F257 WeakPolarHBondContact OE1-CZ 3.47Å; I253-F257 HydrophobicContact CG2-CD2 4.11Å; I253-F257 PolarHBondContact O-N 3.01Å; F257-L349 HydrophobicContact CD1-CD2 4.15Å; F257-L349 HydrophobicContact CE1-CD2 3.73Å
258G92.6Very high93.4Very high5 Ų536.1 Ų36.15%0.05219%0.189CC..BIsolated β-bridgetrans86.1179.9-172.600000113.8W201 I254 I357W201-G258 PolarHBondContact NE1-O 2.75Å; I254-G258 WeakPolarHBondContact O-CA 3.33Å; I254-G258 PolarHBondContact O-N 3.42Å; G258-I357 CarbonylContact C-O 3.6Å; G258-I357 WeakPolarHBondContact CA-O 3.06Å
259Y93.9Very high93.1Very high25 Ų2535.8 Ų35.810%0.09819%0.189CC..  trans-80.4127.4-172.4-73.5-110.9000112.3I254 L283 D285 L289 I357 S359 P360 R361I254-Y259 HydrophobicContact CG2-CD1 4.14Å; I254-Y259 HydrophobicContact CG2-CD2 3.64Å; I254-Y259 HydrophobicContact CG2-CE1 4.22Å; I254-Y259 HydrophobicContact CG2-CE2 3.69Å; I254-Y259 HydrophobicContact CG2-CG 3.89Å; Y259-L283 HydrophobicContact CE1-CD1 4.02Å; Y259-D285 VanDerWaalsContact CE1-OD2 3.29Å; Y259-D285 WeakPolarHBondContact CE1-OD2 3.29Å; Y259-D285 VanDerWaalsContact CZ-OD2 3.24Å; Y259-D285 PolarHBondContact OH-OD2 3.07Å; Y259-L289 HydrophobicContact CD1-CD1 4.19Å; Y259-L289 HydrophobicContact CD1-CD2 4.38Å; Y259-L289 HydrophobicContact CE1-CD1 4.36Å; Y259-I357 WeakPolarHBondContact CD2-O 3.39Å; Y259-I357 PolarHBondContact N-O 2.93Å; Y259-S359 WeakPolarHBondContact CB-O 3.3Å; Y259-P360 HydrophobicContact CD1-CB 4.17Å; Y259-P360 HydrophobicContact CD1-CG 3.93Å; Y259-P360 HydrophobicContact CE1-CB 4.36Å; Y259-P360 HydrophobicContact CE1-CG 3.62Å; Y259-R361 WeakPolarHBondContact O-CD 3.34Å
260P94.5Very high92.7Very high0 Ų038.1 Ų38.10%020%0.201CC..  trans-73.3175.2165.433.4-36000111.2W201 L204 I263W201-P260 WeakPolarHBondContact O-CA 3.24Å; L204-P260 HydrophobicContact CD1-CB 3.97Å; L204-P260 HydrophobicContact CD1-CG 3.9Å; L204-P260 HydrophobicContact CG-CB 3.9Å; L204-P260 HydrophobicContact CG-CG 4.29Å; P260-I263 HydrophobicContact CG-CD1 4.28Å; P260-I263 HydrophobicContact CG-CG1 3.87Å
261L93.2Very high92.4Very high21 Ų2138.9 Ų38.911%0.1121%0.206CC..SBendtrans-66.8-62166.7-68.8169.9000109.5Q202 W203 R361 G362 L363Q202-L261 HydrophobicContact CB-CD1 4.02Å; Q202-L261 HydrophobicContact CB-CG 4.49Å; Q202-L261 HydrophobicContact CG-CD1 4.37Å; Q202-L261 WeakPolarHBondContact O-CA 3.43Å; Q202-L261 VanDerWaalsContact O-CB 3.25Å; Q202-L261 WeakPolarHBondContact O-CB 3.13Å; Q202-L261 PolarHBondContact O-N 3.12Å; W203-L261 HydrophobicContact CD2-CB 4.43Å; W203-L261 HydrophobicContact CZ2-CB 4.44Å; W203-L261 HydrophobicContact CZ2-CD1 4.18Å; L261-R361 HydrophobicContact CD2-CB 3.69Å; L261-G362 WeakPolarHBondContact CD2-O 3.37Å; L261-L363 HydrophobicContact CB-CD2 4.14Å; L261-L363 HydrophobicContact CD1-CD2 4.37Å; L261-L363 HydrophobicContact CD2-CD2 3.92Å; L261-L363 HydrophobicContact CD2-CG 4.28Å; L261-L363 HydrophobicContact CG-CD2 4.38Å
262R94.1Very high92.2Very high23 Ų2338.8 Ų38.89%0.08720%0.204CC..EExtended strand (participates in β ladder)trans-148.1166.2170.6-64.8-61.8177.9-105.56.2111.3W203 L204 A288 L289 V291 L363 I370W203-R262 HydrophobicContact CE3-CB 3.97Å; W203-R262 HydrophobicContact CZ3-CB 3.68Å; W203-R262 HydrophobicContact CZ3-CG 4.06Å; L204-R262 PolarHBondContact N-O 3.01Å; L204-R262 VanDerWaalsContact N-O 3.17Å; R262-A288 WeakPolarHBondContact CD-O 3.43Å; R262-A288 PolarHBondContact NE-O 3.35Å; R262-L289 WeakPolarHBondContact CA-O 3.44Å; R262-L289 WeakPolarHBondContact CB-O 3.31Å; R262-L289 VanDerWaalsContact CD-O 3.3Å; R262-L289 WeakPolarHBondContact CD-O 3.35Å; R262-V291 HydrophobicContact CB-CG2 4.16Å; R262-V291 HydrophobicContact CG-CG2 3.97Å; R262-L363 HydrophobicContact CG-CD1 3.53Å; R262-I370 HydrophobicContact CG-CD1 4.15Å
263I95.4Very high92.1Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-114.3111.6175.1-57.3177.2000107.2L204 L206 L225 I250 P260 L289 V290 V291L204-I263 HydrophobicContact CB-CG1 4.28Å; L204-I263 HydrophobicContact CD1-CG1 4.32Å; L204-I263 CarbonylContact O-C 3.53Å; L204-I263 WeakPolarHBondContact O-CA 3.49Å; L206-I263 HydrophobicContact CB-CG2 3.41Å; L206-I263 VanDerWaalsContact CB-CG2 3.41Å; L206-I263 HydrophobicContact CD2-CG2 4.3Å; L206-I263 HydrophobicContact CG-CG2 4.37Å; L225-I263 HydrophobicContact CD2-CD1 4.28Å; L225-I263 HydrophobicContact CD2-CG2 3.58Å; I250-I263 HydrophobicContact CG2-CD1 3.64Å; P260-I263 HydrophobicContact CG-CD1 4.28Å; P260-I263 HydrophobicContact CG-CG1 3.87Å; I263-L289 PolarHBondContact N-O 3Å; I263-V290 HydrophobicContact CB-CG2 4.21Å; I263-V290 HydrophobicContact CD1-CG2 4.47Å; I263-V290 HydrophobicContact CG2-CG2 4.39Å; I263-V290 CarbonylContact O-C 3.49Å; I263-V290 VanDerWaalsContact O-CA 3.24Å; I263-V290 WeakPolarHBondContact O-CA 3.25Å; I263-V291 PolarHBondContact O-N 3.14Å
264L94.7Very high92.1Very high0 Ų046.3 Ų46.30%023%0.232CC..EExtended strand (participates in β ladder)trans-81.3141.2176.9-55-171.7000110.2W203 L204 G205 L206 F228 V291 H293 T296 I370 F375W203-L264 HydrophobicContact CE3-CD2 4.21Å; W203-L264 HydrophobicContact CE3-CG 4.48Å; W203-L264 HydrophobicContact CZ3-CD2 4.17Å; L204-L264 PolarHBondContact O-N 2.82Å; G205-L264 CarbonylContact C-O 3.54Å; L206-L264 PolarHBondContact N-O 3.19Å; F228-L264 HydrophobicContact CE2-CB 4.39Å; F228-L264 HydrophobicContact CE2-CD1 3.63Å; F228-L264 HydrophobicContact CE2-CG 4.04Å; F228-L264 HydrophobicContact CZ-CB 4.33Å; F228-L264 HydrophobicContact CZ-CD1 4.11Å; F228-L264 HydrophobicContact CZ-CG 4.46Å; L264-V291 CarbonylContact C-O 3.54Å; L264-V291 WeakPolarHBondContact CA-O 3.46Å; L264-V291 HydrophobicContact CD2-CB 4.35Å; L264-H293 HydrophobicContact CB-CB 4.12Å; L264-H293 HydrophobicContact CD1-CB 4.44Å; L264-H293 HydrophobicContact CD2-CB 4.28Å; L264-T296 HydrophobicContact CB-CG2 3.94Å; L264-T296 WeakPolarHBondContact O-CG2 3.33Å; L264-I370 HydrophobicContact CD2-CG2 3.87Å; L264-F375 HydrophobicContact CD1-CD1 4.23Å; L264-F375 HydrophobicContact CD1-CD2 3.71Å; L264-F375 HydrophobicContact CD1-CE1 4Å; L264-F375 HydrophobicContact CD1-CE2 3.45Å; L264-F375 VanDerWaalsContact CD1-CE2 3.45Å; L264-F375 HydrophobicContact CD1-CG 4.09Å; L264-F375 HydrophobicContact CD1-CZ 3.6Å; L264-F375 HydrophobicContact CD2-CE2 4.31Å; L264-F375 HydrophobicContact CD2-CZ 4.04Å; L264-F375 HydrophobicContact CG-CZ 4.37Å
265S92.5Very high92.1Very high0 Ų046.1 Ų46.10%023%0.231CC..EExtended strand (participates in β ladder)trans-147.1150.1178.5-164.50000113.5L206 L267 V291 Y292 H293 T296L206-S265 PolarHBondContact O-OG 2.86Å; S265-L267 WeakPolarHBondContact OG-CG 3.37Å; S265-L267 PolarHBondContact OG-N 3.39Å; S265-V291 PolarHBondContact N-O 2.93Å; S265-Y292 CarbonylContact O-C 3.57Å; S265-Y292 VanDerWaalsContact O-CA 3.29Å; S265-Y292 WeakPolarHBondContact O-CA 3.23Å; S265-Y292 WeakPolarHBondContact O-CD2 3.2Å; S265-H293 PolarHBondContact O-N 3.33Å; S265-T296 PolarHBondContact N-OG1 3.06Å
266R90.3Very high92.3Very high84 Ų8443 Ų4332%0.31720%0.202SC..  trans-91.70.4172.7-59.9175.5-62.3164.63.1113.3D207D207-R266 IonicContact OD1-CZ 3.8Å; D207-R266 IonicContact OD1-NE 3.3Å; D207-R266 IonicContact OD1-NH2 3.75Å; D207-R266 PolarHBondContact OD1-NH2 3.34Å; D207-R266 IonicContact OD2-NH2 3.33Å
267L88.9Confident92.5Very high16 Ų1641.1 Ų41.18%0.08419%0.189CC..SBendtrans-62.5144.6176.9-67.2175.3000111I150 L206 S265 V271 V272 I275 Y292I150-L267 HydrophobicContact CD1-CD2 3.88Å; I150-L267 HydrophobicContact CG1-CD2 4.1Å; L206-L267 HydrophobicContact CD2-CD1 4.3Å; S265-L267 WeakPolarHBondContact OG-CG 3.37Å; S265-L267 PolarHBondContact OG-N 3.39Å; L267-V271 HydrophobicContact CB-CG1 4.37Å; L267-V271 HydrophobicContact CD1-CG1 4.37Å; L267-V272 HydrophobicContact CB-CG2 4.01Å; L267-V272 WeakPolarHBondContact O-CG2 3.48Å; L267-I275 HydrophobicContact CD1-CD1 3.83Å; L267-Y292 WeakPolarHBondContact O-CD2 3.43Å
268P88.4Confident92.7Very high70 Ų7040.7 Ų40.746%0.45519%0.188SC..  trans-51.9144.1-178.8-28.735.7000113.8D270 V271 V272P268-D270 WeakPolarHBondContact CB-OD1 3.22Å; P268-D270 PolarHBondContact O-N 3.21Å; P268-D270 VanDerWaalsContact O-N 3.08Å; P268-V271 HydrophobicContact CB-CG2 4.19Å; P268-V271 HydrophobicContact CG-CG2 4.39Å; P268-V271 WeakPolarHBondContact O-CA 3.24Å; P268-V271 WeakPolarHBondContact O-CB 3.29Å; P268-V271 PolarHBondContact O-N 3.49Å; P268-V272 PolarHBondContact O-N 2.65Å
269H88Confident92.8Very high103 Ų10340.7 Ų40.748%0.47719%0.187SC..Hα-helixtrans-51.4-36.4-176.7-77.9-87000114.3V272 H273 Y292H269-V272 PolarHBondContact O-N 3.3Å; H269-H273 VanDerWaalsContact O-CB 3.3Å; H269-H273 WeakPolarHBondContact O-CB 3.45Å; H269-H273 PolarHBondContact O-N 2.92Å; H269-Y292 AromaticContact CD2-CD1 3.89Å; H269-Y292 AromaticContact CE1-CD1 3.33Å; H269-Y292 WeakPolarHBondContact CE1-CD1 3.35Å; H269-Y292 AromaticContact CE1-CG 3.71Å; H269-Y292 AromaticContact ND1-CG 3.99Å; H269-Y292 AromaticContact NE2-CD1 3.18Å; H269-Y292 WeakPolarHBondContact NE2-CD1 3.35Å; H269-Y292 AromaticContact NE2-CE1 3.61Å; H269-Y292 AromaticContact NE2-CG 3.76Å
270D88.3Confident92.8Very high74 Ų7444.3 Ų44.340%0.39620%0.203SC..Hα-helixtrans-72-30.7178.871.7-56.4000112.6P268 R274P268-D270 WeakPolarHBondContact CB-OD1 3.22Å; P268-D270 PolarHBondContact O-N 3.21Å; P268-D270 VanDerWaalsContact O-N 3.08Å; D270-R274 WeakPolarHBondContact O-CD 3.43Å; D270-R274 WeakPolarHBondContact O-CG 3.45Å; D270-R274 PolarHBondContact O-N 2.86Å; D270-R274 VanDerWaalsContact O-N 3.13Å
271V89.9Confident92.7Very high17 Ų1749.4 Ų49.410%0.10323%0.231CC..Hα-helixtrans-70.8-48.4171.1-179.10000110W148 L267 P268 H273 R274 I275W148-V271 HydrophobicContact CE3-CG2 4.01Å; W148-V271 HydrophobicContact CH2-CG2 4.15Å; W148-V271 HydrophobicContact CZ3-CG2 3.4Å; W148-V271 VanDerWaalsContact CZ3-CG2 3.4Å; L267-V271 HydrophobicContact CB-CG1 4.37Å; L267-V271 HydrophobicContact CD1-CG1 4.37Å; P268-V271 HydrophobicContact CB-CG2 4.19Å; P268-V271 HydrophobicContact CG-CG2 4.39Å; P268-V271 WeakPolarHBondContact O-CA 3.24Å; P268-V271 WeakPolarHBondContact O-CB 3.29Å; P268-V271 PolarHBondContact O-N 3.49Å; V271-H273 VanDerWaalsContact C-N 3.3Å; V271-H273 PolarHBondContact O-N 3.02Å; V271-R274 WeakPolarHBondContact O-CB 3.27Å; V271-R274 PolarHBondContact O-N 2.94Å; V271-R274 VanDerWaalsContact O-N 3.09Å; V271-I275 HydrophobicContact CG1-CD1 3.84Å; V271-I275 HydrophobicContact CG1-CG1 4.39Å; V271-I275 WeakPolarHBondContact O-CG1 3.29Å; V271-I275 PolarHBondContact O-N 2.83Å
272V92.8Very high92.6Very high8 Ų853 Ų535%0.04825%0.246CC..Hα-helixtrans-58.7-41.4176.3171.40000111.5L267 P268 H269 I275 N276 V290L267-V272 HydrophobicContact CB-CG2 4.01Å; L267-V272 WeakPolarHBondContact O-CG2 3.48Å; P268-V272 PolarHBondContact O-N 2.65Å; H269-V272 PolarHBondContact O-N 3.3Å; V272-I275 PolarHBondContact O-N 3.12Å; V272-N276 PolarHBondContact O-N 3.38Å; V272-N276 PolarHBondContact O-ND2 3.35Å; V272-V290 HydrophobicContact CG1-CB 4.19Å; V272-V290 HydrophobicContact CG1-CG1 3.93Å; V272-V290 WeakPolarHBondContact CG1-O 3.46Å; V272-V290 HydrophobicContact CG2-CG1 4.32Å
273H93.4Very high92.4Very high128 Ų12853.3 Ų53.359%0.59325%0.25SC*.Hα-helixtrans-63.9-39.8175178.572.3000112.4H269 V271 R277H269-H273 VanDerWaalsContact O-CB 3.3Å; H269-H273 WeakPolarHBondContact O-CB 3.45Å; H269-H273 PolarHBondContact O-N 2.92Å; V271-H273 VanDerWaalsContact C-N 3.3Å; V271-H273 PolarHBondContact O-N 3.02Å; H273-R277 PolarHBondContact O-N 2.84Å
274R94.6Very high92Very high113 Ų11362.3 Ų62.343%0.42629%0.289SS..Hα-helixtrans-64.6-48.5173.9-70.8164-172-90.10.5111.4P243 D270 V271 N276 R277 E278P243-R274 HydrophobicContact CB-CB 3.71Å; P243-R274 HydrophobicContact CG-CB 3.75Å; D270-R274 WeakPolarHBondContact O-CD 3.43Å; D270-R274 WeakPolarHBondContact O-CG 3.45Å; D270-R274 PolarHBondContact O-N 2.86Å; D270-R274 VanDerWaalsContact O-N 3.13Å; V271-R274 WeakPolarHBondContact O-CB 3.27Å; V271-R274 PolarHBondContact O-N 2.94Å; V271-R274 VanDerWaalsContact O-N 3.09Å; R274-N276 VanDerWaalsContact C-N 3.31Å; R274-N276 PolarHBondContact O-N 3.15Å; R274-R277 WeakPolarHBondContact O-CB 3.45Å; R274-R277 PolarHBondContact O-N 2.92Å; R274-E278 WeakPolarHBondContact O-CG 3.41Å; R274-E278 PolarHBondContact O-N 3.04Å
275I95.3Very high91.4Very high0 Ų064.4 Ų64.40%030%0.3CS..Hα-helixtrans-55.4-47178.4-67.7163.8000110.4P243 V246 A247 I250 L267 V271 V272 R277 E278 L279 V290P243-I275 HydrophobicContact CB-CG1 3.93Å; V246-I275 HydrophobicContact CB-CD1 4.33Å; V246-I275 HydrophobicContact CB-CG1 4.33Å; V246-I275 HydrophobicContact CG1-CD1 3.72Å; V246-I275 HydrophobicContact CG1-CG1 4.05Å; V246-I275 HydrophobicContact CG1-CG2 4.16Å; A247-I275 HydrophobicContact CB-CG2 4.43Å; I250-I275 HydrophobicContact CD1-CG2 4.19Å; L267-I275 HydrophobicContact CD1-CD1 3.83Å; V271-I275 HydrophobicContact CG1-CD1 3.84Å; V271-I275 HydrophobicContact CG1-CG1 4.39Å; V271-I275 WeakPolarHBondContact O-CG1 3.29Å; V271-I275 PolarHBondContact O-N 2.83Å; V272-I275 PolarHBondContact O-N 3.12Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.41Å; I275-E278 PolarHBondContact O-N 2.05Å; I275-L279 HydrophobicContact CG2-CD1 3.83Å; I275-L279 HydrophobicContact CG2-CG 4.22Å; I275-L279 WeakPolarHBondContact O-CB 3.23Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 2.88Å; I275-V290 HydrophobicContact CG2-CG2 3.96Å
276N95.6Very high90.7Very high20 Ų2070 Ų7011%0.10734%0.335CS..Hα-helixtrans-62.6-32.4177.3-78.7-61.2000113.8V272 R274 K280 A288 L289 V290V272-N276 PolarHBondContact O-N 3.38Å; V272-N276 PolarHBondContact O-ND2 3.35Å; R274-N276 VanDerWaalsContact C-N 3.31Å; R274-N276 PolarHBondContact O-N 3.15Å; N276-K280 WeakPolarHBondContact O-CB 3.25Å; N276-K280 PolarHBondContact O-N 2.98Å; N276-A288 HydrophobicContact CB-CB 4.32Å; N276-A288 WeakPolarHBondContact OD1-CA 3.34Å; N276-L289 PolarHBondContact OD1-N 3.3Å; N276-V290 PolarHBondContact ND2-O 3.3Å; N276-V290 PolarHBondContact OD1-N 3.02Å
277R95.1Very high90.4Very high100 Ų10068.3 Ų68.338%0.37733%0.333SS..Hα-helixtrans-69-48.2175-175.9-17160.8-108.1-4.9111H273 R274 I275 L279 K280 D281H273-R277 PolarHBondContact O-N 2.84Å; R274-R277 WeakPolarHBondContact O-CB 3.45Å; R274-R277 PolarHBondContact O-N 2.92Å; I275-R277 VanDerWaalsContact C-N 3.29Å; I275-R277 PolarHBondContact O-N 3.41Å; R277-L279 VanDerWaalsContact C-N 3.31Å; R277-L279 PolarHBondContact O-N 3.09Å; R277-K280 WeakPolarHBondContact O-CB 3.47Å; R277-K280 PolarHBondContact O-N 3.46Å; R277-D281 PolarHBondContact O-N 3.11Å
278E95.4Very high90.5Very high48 Ų4869.1 Ų69.122%0.22434%0.343CS..Hα-helixtrans-64-38.6177.1-48.1-50.8125.900110.9P243 A247 R274 I275 K280 D281 H282P243-E278 HydrophobicContact CB-CG 4.33Å; A247-E278 HydrophobicContact CB-CB 3.54Å; R274-E278 WeakPolarHBondContact O-CG 3.41Å; R274-E278 PolarHBondContact O-N 3.04Å; I275-E278 PolarHBondContact O-N 2.05Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 2.91Å; E278-D281 PolarHBondContact O-N 3.47Å; E278-D281 VanDerWaalsContact O-N 3.12Å; E278-H282 PolarHBondContact O-CD2 3.42Å; E278-H282 PolarHBondContact O-N 3.24Å
279L94.9Very high90.7Very high5 Ų565.9 Ų65.93%0.02632%0.322CS..Hα-helixtrans-60.1-40.4174.8-83.5174.4000112.9A247 I250 A251 I275 R277 D281 H282 L283 V290A247-L279 HydrophobicContact CB-CD2 4.05Å; A247-L279 HydrophobicContact CB-CG 3.8Å; A247-L279 WeakPolarHBondContact O-CD2 3.4Å; I250-L279 HydrophobicContact CB-CD2 4.01Å; I250-L279 HydrophobicContact CG2-CD1 4.11Å; I250-L279 HydrophobicContact CG2-CD2 3.77Å; A251-L279 HydrophobicContact CB-CD2 4.24Å; I275-L279 HydrophobicContact CG2-CD1 3.83Å; I275-L279 HydrophobicContact CG2-CG 4.22Å; I275-L279 WeakPolarHBondContact O-CB 3.23Å; I275-L279 WeakPolarHBondContact O-CG 3.31Å; I275-L279 PolarHBondContact O-N 2.88Å; R277-L279 VanDerWaalsContact C-N 3.31Å; R277-L279 PolarHBondContact O-N 3.09Å; L279-D281 PolarHBondContact O-N 3.3Å; L279-H282 PolarHBondContact O-N 2.91Å; L279-L283 HydrophobicContact CD2-CD1 4.2Å; L279-L283 WeakPolarHBondContact O-CB 3.39Å; L279-L283 WeakPolarHBondContact O-CG 3.5Å; L279-L283 PolarHBondContact O-N 3.45Å; L279-V290 HydrophobicContact CD1-CG2 3.78Å
280K93.6Very high91Very high101 Ų10161.1 Ų61.144%0.43930%0.3SS..Hα-helixtrans-58.6-38174.7160.4169.9-176.6-1740111.7N276 R277 E278 K284 D285N276-K280 WeakPolarHBondContact O-CB 3.25Å; N276-K280 PolarHBondContact O-N 2.98Å; R277-K280 WeakPolarHBondContact O-CB 3.47Å; R277-K280 PolarHBondContact O-N 3.46Å; E278-K280 VanDerWaalsContact C-N 3.34Å; E278-K280 PolarHBondContact O-N 2.91Å; K280-K284 CarbonylContact O-C 3.51Å; K280-K284 WeakPolarHBondContact O-CA 3.33Å; K280-K284 PolarHBondContact O-N 2.96Å; K280-D285 WeakPolarHBondContact CA-O 3.49Å; K280-D285 VanDerWaalsContact CB-O 3.3Å; K280-D285 WeakPolarHBondContact CB-O 3.45Å; K280-D285 VanDerWaalsContact CG-O 3.25Å; K280-D285 WeakPolarHBondContact CG-O 3.18Å; K280-D285 PolarHBondContact O-N 3.38Å
281D91.7Very high91.2Very high107 Ų10757.8 Ų57.857%0.57228%0.282SS*.Hα-helixtrans-76.2-35.6-180-63.2-26.4000111.6R277 E278 L279R277-D281 PolarHBondContact O-N 3.11Å; E278-D281 PolarHBondContact O-N 3.47Å; E278-D281 VanDerWaalsContact O-N 3.12Å; L279-D281 PolarHBondContact O-N 3.3Å
282H91.3Very high91.3Very high95 Ų9559.9 Ų59.944%0.4429%0.288SS..Hα-helixtrans-69.8-48.5174.5-77.3-67.4000113.6A251 E278 L279A251-H282 HydrophobicContact CB-CB 3.91Å; E278-H282 PolarHBondContact O-CD2 3.42Å; E278-H282 PolarHBondContact O-N 3.24Å; L279-H282 PolarHBondContact O-N 2.91Å
283L90Very high91.1Very high31 Ų3159.6 Ų59.616%0.16229%0.287CS..Hα-helixtrans-85.3-15-176.6-61.7175.3000112.9A251 I254 Y259 L279 D285 L289A251-L283 HydrophobicContact CB-CD2 3.87Å; A251-L283 HydrophobicContact CB-CG 4.3Å; I254-L283 HydrophobicContact CD1-CD1 3.99Å; I254-L283 HydrophobicContact CG2-CD2 4.19Å; Y259-L283 HydrophobicContact CE1-CD1 4.02Å; L279-L283 HydrophobicContact CD2-CD1 4.2Å; L279-L283 WeakPolarHBondContact O-CB 3.39Å; L279-L283 WeakPolarHBondContact O-CG 3.5Å; L279-L283 PolarHBondContact O-N 3.45Å; L283-D285 HydrophobicContact CB-CB 4.39Å; L283-D285 PolarHBondContact O-N 2.97Å; L283-L289 HydrophobicContact CD1-CD1 3.52Å
284K86.8Confident90.4Very high189 Ų18959.4 Ų59.482%0.82229%0.286SS*.  trans62.716.5-173.3-54.6175.9-175.8171.70114.2K280K280-K284 CarbonylContact O-C 3.51Å; K280-K284 WeakPolarHBondContact O-CA 3.33Å; K280-K284 PolarHBondContact O-N 2.96Å
285D82.2Confident89.4Confident43 Ų4358.3 Ų58.323%0.2329%0.286CS..  trans-104.8144.3-178.3-73.3-52.2000112.7Y259 K280 L283 T287 P360Y259-D285 VanDerWaalsContact CE1-OD2 3.29Å; Y259-D285 WeakPolarHBondContact CE1-OD2 3.29Å; Y259-D285 VanDerWaalsContact CZ-OD2 3.24Å; Y259-D285 PolarHBondContact OH-OD2 3.07Å; K280-D285 WeakPolarHBondContact CA-O 3.49Å; K280-D285 VanDerWaalsContact CB-O 3.3Å; K280-D285 WeakPolarHBondContact CB-O 3.45Å; K280-D285 VanDerWaalsContact CG-O 3.25Å; K280-D285 WeakPolarHBondContact CG-O 3.18Å; K280-D285 PolarHBondContact O-N 3.38Å; L283-D285 HydrophobicContact CB-CB 4.39Å; L283-D285 PolarHBondContact O-N 2.97Å; D285-T287 VanDerWaalsContact C-N 3.32Å; D285-P360 HydrophobicContact CB-CG 3.8Å; D285-P360 WeakPolarHBondContact OD2-CD 3.05Å; D285-P360 VanDerWaalsContact OD2-CG 3.25Å; D285-P360 WeakPolarHBondContact OD2-CG 3.2Å
286T78.3Confident88.8Confident119 Ų11958.7 Ų58.773%0.7329%0.288SS*.  trans-81.8-8.4176.9490000114.3A288T286-A288 PolarHBondContact O-N 3.33Å
287T84.8Confident87.6Confident47 Ų4758.9 Ų58.929%0.28829%0.294SS..  trans-77118.4-175.8-56.60000111.6D285 L289 P360D285-T287 VanDerWaalsContact C-N 3.32Å; T287-L289 HydrophobicContact CG2-CD2 4.24Å; T287-L289 PolarHBondContact O-N 3.42Å; T287-P360 HydrophobicContact CG2-CB 4.14Å
288A89.4Confident86.6Confident34 Ų3457.1 Ų57.128%0.28130%0.298SS..  trans-69118.916900000109.9R262 N276 T286R262-A288 WeakPolarHBondContact CD-O 3.43Å; R262-A288 PolarHBondContact NE-O 3.35Å; N276-A288 HydrophobicContact CB-CB 4.32Å; N276-A288 WeakPolarHBondContact OD1-CA 3.34Å; T286-A288 PolarHBondContact O-N 3.33Å
289L92.5Very high85.8Confident2 Ų255.7 Ų55.71%0.0129%0.292CS..  trans-95-36.3-177-66.3176.7000112.8I254 Y259 R262 I263 N276 L283 T287I254-L289 HydrophobicContact CD1-CD1 3.57Å; Y259-L289 HydrophobicContact CD1-CD1 4.19Å; Y259-L289 HydrophobicContact CD1-CD2 4.38Å; Y259-L289 HydrophobicContact CE1-CD1 4.36Å; R262-L289 WeakPolarHBondContact CA-O 3.44Å; R262-L289 WeakPolarHBondContact CB-O 3.31Å; R262-L289 VanDerWaalsContact CD-O 3.3Å; R262-L289 WeakPolarHBondContact CD-O 3.35Å; I263-L289 PolarHBondContact N-O 3Å; N276-L289 PolarHBondContact OD1-N 3.3Å; L283-L289 HydrophobicContact CD1-CD1 3.52Å; T287-L289 HydrophobicContact CG2-CD2 4.24Å; T287-L289 PolarHBondContact O-N 3.42Å
290V94.4Very high85.2Confident3 Ų355.8 Ų55.82%0.01829%0.293CS..EExtended strand (participates in β ladder)trans-90.2129.5-178.1-170.50000110L206 I250 I263 V272 I275 N276 L279L206-V290 HydrophobicContact CD2-CG1 3.85Å; L206-V290 HydrophobicContact CD2-CG2 4.39Å; I250-V290 HydrophobicContact CD1-CG2 4.23Å; I263-V290 HydrophobicContact CB-CG2 4.21Å; I263-V290 HydrophobicContact CD1-CG2 4.47Å; I263-V290 HydrophobicContact CG2-CG2 4.39Å; I263-V290 CarbonylContact O-C 3.49Å; I263-V290 VanDerWaalsContact O-CA 3.24Å; I263-V290 WeakPolarHBondContact O-CA 3.25Å; V272-V290 HydrophobicContact CG1-CB 4.19Å; V272-V290 HydrophobicContact CG1-CG1 3.93Å; V272-V290 WeakPolarHBondContact CG1-O 3.46Å; V272-V290 HydrophobicContact CG2-CG1 4.32Å; I275-V290 HydrophobicContact CG2-CG2 3.96Å; N276-V290 PolarHBondContact ND2-O 3.3Å; N276-V290 PolarHBondContact OD1-N 3.02Å; L279-V290 HydrophobicContact CD1-CG2 3.78Å
291V93.5Very high84.7Confident4 Ų456.2 Ų56.22%0.02430%0.299CS..EExtended strand (participates in β ladder)trans-123.3134180-172.70000108.8R262 I263 L264 S265 I370 Q371R262-V291 HydrophobicContact CB-CG2 4.16Å; R262-V291 HydrophobicContact CG-CG2 3.97Å; I263-V291 PolarHBondContact O-N 3.14Å; L264-V291 CarbonylContact C-O 3.54Å; L264-V291 WeakPolarHBondContact CA-O 3.46Å; L264-V291 HydrophobicContact CD2-CB 4.35Å; S265-V291 PolarHBondContact N-O 2.93Å; V291-I370 HydrophobicContact CB-CG2 4.33Å; V291-I370 HydrophobicContact CG1-CB 4.39Å; V291-I370 HydrophobicContact CG1-CG2 3.91Å; V291-I370 HydrophobicContact CG2-CG2 4.44Å; V291-Q371 HydrophobicContact CG1-CG 3.88Å
292Y91.4Very high84.5Confident60 Ų6053.4 Ų53.424%0.23528%0.284CS..EExtended strand (participates in β ladder)trans-67.2135.5171.3172.9-102.4000109.6S265 L267 H269 Q371S265-Y292 CarbonylContact O-C 3.57Å; S265-Y292 VanDerWaalsContact O-CA 3.29Å; S265-Y292 WeakPolarHBondContact O-CA 3.23Å; S265-Y292 WeakPolarHBondContact O-CD2 3.2Å; L267-Y292 WeakPolarHBondContact O-CD2 3.43Å; H269-Y292 AromaticContact CD2-CD1 3.89Å; H269-Y292 AromaticContact CE1-CD1 3.33Å; H269-Y292 WeakPolarHBondContact CE1-CD1 3.35Å; H269-Y292 AromaticContact CE1-CG 3.71Å; H269-Y292 AromaticContact ND1-CG 3.99Å; H269-Y292 AromaticContact NE2-CD1 3.18Å; H269-Y292 WeakPolarHBondContact NE2-CD1 3.35Å; H269-Y292 AromaticContact NE2-CE1 3.61Å; H269-Y292 AromaticContact NE2-CG 3.76Å; Y292-Q371 WeakPolarHBondContact O-CG 3.41Å
293H88.1Confident84.5Confident3 Ų349.1 Ų49.11%0.01426%0.264CS..  trans-156.6113.9179.1-177-109000110.2L264 S265 Q295 T296 I370 Q371 S373 F375L264-H293 HydrophobicContact CB-CB 4.12Å; L264-H293 HydrophobicContact CD1-CB 4.44Å; L264-H293 HydrophobicContact CD2-CB 4.28Å; S265-H293 PolarHBondContact O-N 3.33Å; H293-Q295 VanDerWaalsContact C-N 3.25Å; H293-Q295 VanDerWaalsContact CE1-CB 3.43Å; H293-Q295 WeakPolarHBondContact CE1-CB 3.5Å; H293-Q295 PolarHBondContact O-N 2.99Å; H293-T296 PolarHBondContact ND1-N 3.33Å; H293-T296 VanDerWaalsContact ND1-N 3.14Å; H293-T296 PolarHBondContact O-N 3.17Å; H293-T296 PolarHBondContact O-OG1 3.43Å; H293-I370 PolarHBondContact CD2-O 2.62Å; H293-Q371 PolarHBondContact CD2-O 3.22Å; H293-S373 PolarHBondContact NE2-O 3.42Å; H293-F375 AromaticContact CE1-CD2 3.55Å; H293-F375 AromaticContact CE1-CE2 3.84Å; H293-F375 AromaticContact NE2-CD2 3.75Å; H293-F375 AromaticContact NE2-CE2 3.74Å
294E79.6Confident84.5Confident124 Ų12449.2 Ų49.258%0.57927%0.266SS*.G310 helixtrans-59.1-38.9-175-172.5169.5-178.100111.4R155 T296R155-E294 IonicContact NH1-OE1 2.83Å; R155-E294 PolarHBondContact NH1-OE1 2.8Å; E294-T296 VanDerWaalsContact C-N 3.32Å; E294-T296 PolarHBondContact O-N 3.42Å
295Q74.6Confident84.7Confident89 Ų8945.9 Ų45.942%0.41625%0.254SS..G310 helixtrans-84.413-177.9-73.4-175.62.500115H293 G297 S298H293-Q295 VanDerWaalsContact C-N 3.25Å; H293-Q295 VanDerWaalsContact CE1-CB 3.43Å; H293-Q295 WeakPolarHBondContact CE1-CB 3.5Å; H293-Q295 PolarHBondContact O-N 2.99Å; Q295-G297 PolarHBondContact O-N 3.4Å; Q295-G297 VanDerWaalsContact O-N 3.07Å; Q295-S298 WeakPolarHBondContact CA-OG 3.2Å; Q295-S298 VanDerWaalsContact CB-OG 3.29Å; Q295-S298 WeakPolarHBondContact CB-OG 3.27Å; Q295-S298 PolarHBondContact O-N 3.07Å; Q295-S298 PolarHBondContact O-OG 3.15Å
296T80.9Confident85.1Confident9 Ų947.1 Ų47.16%0.05526%0.26CS..G310 helixtrans-50.6-37.7178.3-59.50000112.8F228 L264 S265 H293 E294F228-T296 HydrophobicContact CZ-CG2 4.2Å; L264-T296 HydrophobicContact CB-CG2 3.94Å; L264-T296 WeakPolarHBondContact O-CG2 3.33Å; S265-T296 PolarHBondContact N-OG1 3.06Å; H293-T296 PolarHBondContact ND1-N 3.33Å; H293-T296 VanDerWaalsContact ND1-N 3.14Å; H293-T296 PolarHBondContact O-N 3.17Å; H293-T296 PolarHBondContact O-OG1 3.43Å; E294-T296 VanDerWaalsContact C-N 3.32Å; E294-T296 PolarHBondContact O-N 3.42Å
297G70.1Confident85.9Confident23 Ų2341.5 Ų41.524%0.23723%0.226CC..G310 helixtrans-87.6-3.6-178.900000115.6Q295 D300Q295-G297 PolarHBondContact O-N 3.4Å; Q295-G297 VanDerWaalsContact O-N 3.07Å; G297-D300 CarbonylContact O-C 3.57Å
298S75Confident86.2Confident64 Ų6443 Ų4345%0.44823%0.232SC..THydrogen-bonded Turntrans-96.3-13.3177.149.50000113.6Q295 D300Q295-S298 WeakPolarHBondContact CA-OG 3.2Å; Q295-S298 VanDerWaalsContact CB-OG 3.29Å; Q295-S298 WeakPolarHBondContact CB-OG 3.27Å; Q295-S298 PolarHBondContact O-N 3.07Å; Q295-S298 PolarHBondContact O-OG 3.15Å; S298-D300 PolarHBondContact O-N 3.27Å
299V79.3Confident86.5Confident18 Ų1849.5 Ų49.511%0.10925%0.249CC..SBendtrans-66.9-24.4169.3-159.40000111.6F228 R231 F375 V377F228-V299 HydrophobicContact CB-CG1 4.01Å; F228-V299 HydrophobicContact CD1-CB 3.97Å; F228-V299 HydrophobicContact CD1-CG1 4.02Å; F228-V299 HydrophobicContact CD2-CB 4.49Å; F228-V299 HydrophobicContact CD2-CG1 4.04Å; F228-V299 HydrophobicContact CE1-CB 4.04Å; F228-V299 HydrophobicContact CE1-CG2 4.37Å; F228-V299 HydrophobicContact CE2-CG2 4.4Å; F228-V299 HydrophobicContact CG-CB 4.21Å; F228-V299 HydrophobicContact CG-CG1 3.77Å; F228-V299 HydrophobicContact CZ-CB 4.37Å; F228-V299 HydrophobicContact CZ-CG2 4.23Å; R231-V299 PolarHBondContact NH1-O 3.5Å; V299-F375 HydrophobicContact CB-CB 4.39Å; V299-F375 HydrophobicContact CG1-CB 3.79Å; V299-F375 HydrophobicContact CG2-CB 3.66Å; V299-F375 HydrophobicContact CG2-CG 4.39Å; V299-V377 HydrophobicContact CG1-CG2 3.95Å
300D81.6Confident86.6Confident7 Ų750 Ų504%0.03725%0.251CS..  trans-147.5102.3175-163.5-25.7000110.4R231 G297 S298 I302 T303 P304R231-D300 WeakPolarHBondContact CD-OD2 3.48Å; R231-D300 IonicContact CZ-OD2 3.12Å; R231-D300 IonicContact NE-OD2 2.72Å; R231-D300 IonicContact NH1-OD1 2.65Å; R231-D300 IonicContact NH1-OD2 3.87Å; R231-D300 PolarHBondContact NH1-OD2 3.09Å; G297-D300 CarbonylContact O-C 3.57Å; S298-D300 PolarHBondContact O-N 3.27Å; D300-I302 PolarHBondContact OD1-N 3.31Å; D300-T303 VanDerWaalsContact CG-OG1 3.26Å; D300-T303 PolarHBondContact OD1-N 2.75Å; D300-T303 PolarHBondContact OD1-OG1 3.25Å; D300-T303 WeakPolarHBondContact OD2-CB 3.2Å; D300-T303 PolarHBondContact OD2-OG1 3.3Å; D300-P304 WeakPolarHBondContact O-CD 3.01Å; D300-P304 WeakPolarHBondContact O-CG 3.5Å
301L83.7Confident86.6Confident109 Ų10950.2 Ų50.257%0.57125%0.253SS*.SBendtrans-81.1-18176.3-64.3174000112.8Q305L301-Q305 VanDerWaalsContact O-CG 3.25Å; L301-Q305 WeakPolarHBondContact O-CG 3.42Å; L301-Q305 PolarHBondContact O-NE2 2.76Å
302I87.8Confident86.7Confident48 Ų4852.5 Ų52.525%0.24627%0.269CS..Hα-helixtrans-100.8-45.1-165.9-58.6-169.7000111D300 Q305 L306 S339 V340D300-I302 PolarHBondContact OD1-N 3.31Å; I302-Q305 WeakPolarHBondContact O-CB 3.39Å; I302-Q305 PolarHBondContact O-N 3.35Å; I302-Q305 VanDerWaalsContact O-N 3.15Å; I302-L306 HydrophobicContact CG2-CD1 3.99Å; I302-L306 HydrophobicContact CG2-CG 4.22Å; I302-L306 WeakPolarHBondContact O-CG 3.19Å; I302-L306 PolarHBondContact O-N 2.99Å; I302-S339 WeakPolarHBondContact CD1-OG 3.08Å; I302-V340 HydrophobicContact CD1-CG2 3.82Å
303T90.1Very high86.8Confident6 Ų652.5 Ų52.54%0.03727%0.273CS..Hα-helixtrans-58.9-44178.5-550000112.2T226 V233 D300 Q305 L306 I307T226-T303 HydrophobicContact CG2-CG2 3.68Å; V233-T303 HydrophobicContact CG2-CG2 3.4Å; D300-T303 VanDerWaalsContact CG-OG1 3.26Å; D300-T303 PolarHBondContact OD1-N 2.75Å; D300-T303 PolarHBondContact OD1-OG1 3.25Å; D300-T303 WeakPolarHBondContact OD2-CB 3.2Å; D300-T303 PolarHBondContact OD2-OG1 3.3Å; T303-Q305 PolarHBondContact O-N 3.37Å; T303-L306 PolarHBondContact O-N 2.98Å; T303-I307 HydrophobicContact CG2-CD1 4Å; T303-I307 HydrophobicContact CG2-CG1 4.43Å; T303-I307 VanDerWaalsContact O-CG1 3.27Å; T303-I307 WeakPolarHBondContact O-CG1 3.35Å; T303-I307 PolarHBondContact O-N 3.02Å
304P89.8Confident87.1Confident32 Ų3252.4 Ų52.421%0.20827%0.273CS..Hα-helixtrans-60-40.4174-25.637000113.6R209 D300 I307 D308R209-P304 PolarHBondContact NH2-O 3.24Å; D300-P304 WeakPolarHBondContact O-CD 3.01Å; D300-P304 WeakPolarHBondContact O-CG 3.5Å; P304-I307 PolarHBondContact O-N 3.1Å; P304-D308 WeakPolarHBondContact O-CB 3.25Å; P304-D308 PolarHBondContact O-N 2.81Å
305Q90.6Very high87.7Confident119 Ų11947.9 Ų47.956%0.55625%0.254SS*.Hα-helixtrans-65.3-39176.3-69.5174.5-2.400112.1L301 I302 T303 D308 R309L301-Q305 VanDerWaalsContact O-CG 3.25Å; L301-Q305 WeakPolarHBondContact O-CG 3.42Å; L301-Q305 PolarHBondContact O-NE2 2.76Å; I302-Q305 WeakPolarHBondContact O-CB 3.39Å; I302-Q305 PolarHBondContact O-N 3.35Å; I302-Q305 VanDerWaalsContact O-N 3.15Å; T303-Q305 PolarHBondContact O-N 3.37Å; Q305-D308 PolarHBondContact O-N 2.83Å; Q305-R309 WeakPolarHBondContact O-CB 3.14Å; Q305-R309 PolarHBondContact O-N 2.72Å
306L92.3Very high88.7Confident70 Ų7050.3 Ų50.337%0.36627%0.265SS..Hα-helixtrans-65.7-39174.9-69.4174.4000111.8I302 T303 M310 L333I302-L306 HydrophobicContact CG2-CD1 3.99Å; I302-L306 HydrophobicContact CG2-CG 4.22Å; I302-L306 WeakPolarHBondContact O-CG 3.19Å; I302-L306 PolarHBondContact O-N 2.99Å; T303-L306 PolarHBondContact O-N 2.98Å; L306-M310 WeakPolarHBondContact O-CB 3.02Å; L306-M310 PolarHBondContact O-N 3.21Å; L306-L333 HydrophobicContact CB-CD2 4.3Å
307I93.4Very high89.3Confident1 Ų155.4 Ų55.41%0.00529%0.288CS..Hα-helixtrans-67.2-45.6173.7-61.3162.9000110.2R209 T224 V233 T303 P304 R309 M310 V311 L333R209-I307 VanDerWaalsContact NE-CG2 3.34Å; T224-I307 HydrophobicContact CG2-CD1 4.46Å; T224-I307 HydrophobicContact CG2-CG2 4.13Å; V233-I307 HydrophobicContact CG1-CD1 3.79Å; V233-I307 HydrophobicContact CG1-CG1 4.23Å; V233-I307 HydrophobicContact CG2-CD1 3.97Å; V233-I307 HydrophobicContact CG2-CG1 4.38Å; T303-I307 HydrophobicContact CG2-CD1 4Å; T303-I307 HydrophobicContact CG2-CG1 4.43Å; T303-I307 VanDerWaalsContact O-CG1 3.27Å; T303-I307 WeakPolarHBondContact O-CG1 3.35Å; T303-I307 PolarHBondContact O-N 3.02Å; P304-I307 PolarHBondContact O-N 3.1Å; I307-R309 VanDerWaalsContact C-N 3.35Å; I307-R309 PolarHBondContact O-N 3.3Å; I307-M310 HydrophobicContact CG2-CE 4.22Å; I307-M310 PolarHBondContact O-N 3.18Å; I307-V311 HydrophobicContact CG2-CG2 4.19Å; I307-V311 WeakPolarHBondContact O-CB 3.14Å; I307-V311 WeakPolarHBondContact O-CG2 3.17Å; I307-V311 PolarHBondContact O-N 2.87Å; I307-L333 HydrophobicContact CG1-CD1 4.09Å
308D93Very high90.4Very high78 Ų7856.3 Ų56.342%0.41729%0.286SS..Hα-helixtrans-59.5-45.3180-71.4-19.8000111.5R209 P304 Q305 V311 S312R209-D308 IonicContact CZ-OD1 3.93Å; R209-D308 IonicContact NE-OD1 3.15Å; R209-D308 PolarHBondContact NE-OD1 3.21Å; R209-D308 IonicContact NH2-OD1 3.86Å; R209-D308 PolarHBondContact NH2-OD1 3.35Å; R209-D308 IonicContact NH2-OD2 2.75Å; P304-D308 WeakPolarHBondContact O-CB 3.25Å; P304-D308 PolarHBondContact O-N 2.81Å; Q305-D308 PolarHBondContact O-N 2.83Å; D308-V311 PolarHBondContact O-N 3.39Å; D308-S312 PolarHBondContact O-N 2.96Å
309R94.3Very high91.2Very high170 Ų17055.5 Ų55.564%0.64228%0.283SS*.Hα-helixtrans-61.7-49.2173.1-178.5176.6178.8161.65.4112Q305 I307 V311 S312 D313Q305-R309 WeakPolarHBondContact O-CB 3.14Å; Q305-R309 PolarHBondContact O-N 2.72Å; I307-R309 VanDerWaalsContact C-N 3.35Å; I307-R309 PolarHBondContact O-N 3.3Å; R309-V311 PolarHBondContact O-N 3.1Å; R309-S312 PolarHBondContact O-N 3.1Å; R309-S312 VanDerWaalsContact O-N 3.12Å; R309-D313 IonicContact NE-OD2 2.86Å; R309-D313 PolarHBondContact O-N 2.63Å
310M95.6Very high91.8Very high12 Ų1257 Ų576%0.05930%0.298CS..Hα-helixtrans-56.8-39.6178.2179.5-154.87000111.8L306 I307 L314 L326 K329 V330 L333L306-M310 WeakPolarHBondContact O-CB 3.02Å; L306-M310 PolarHBondContact O-N 3.21Å; I307-M310 HydrophobicContact CG2-CE 4.22Å; I307-M310 PolarHBondContact O-N 3.18Å; M310-L314 WeakPolarHBondContact O-CB 3.27Å; M310-L314 PolarHBondContact O-N 2.65Å; M310-L326 HydrophobicContact CE-CD1 3.84Å; M310-K329 HydrophobicContact CG-CB 3.75Å; M310-K329 VanDerWaalsContact SD-C 3.56Å; M310-K329 HydrophobicContact SD-CB 3.72Å; M310-V330 HydrophobicContact CE-CG2 3.69Å; M310-V330 HydrophobicContact SD-CB 4.44Å; M310-V330 HydrophobicContact SD-CG2 3.77Å; M310-L333 HydrophobicContact CB-CD1 4.2Å; M310-L333 HydrophobicContact CE-CD1 4.46Å; M310-L333 HydrophobicContact CG-CD1 4.33Å; M310-L333 HydrophobicContact SD-CD1 3.52Å; M310-L333 VanDerWaalsContact SD-CD1 3.52Å; M310-L333 HydrophobicContact SD-CG 3.91Å
311V94.7Very high92.5Very high9 Ų959.2 Ų59.26%0.05531%0.309CS..Hα-helixtrans-70.2-39.9177172.20000111.2L212 I222 I307 D308 R309 L314 T315L212-V311 HydrophobicContact CD1-CG1 3.85Å; L212-V311 HydrophobicContact CD2-CG1 3.95Å; I222-V311 HydrophobicContact CD1-CG1 4.18Å; I222-V311 HydrophobicContact CD1-CG2 3.73Å; I307-V311 HydrophobicContact CG2-CG2 4.19Å; I307-V311 WeakPolarHBondContact O-CB 3.14Å; I307-V311 WeakPolarHBondContact O-CG2 3.17Å; I307-V311 PolarHBondContact O-N 2.87Å; D308-V311 PolarHBondContact O-N 3.39Å; R309-V311 PolarHBondContact O-N 3.1Å; V311-L314 PolarHBondContact O-N 3.32Å; V311-T315 HydrophobicContact CG1-CG2 4.33Å; V311-T315 WeakPolarHBondContact O-CB 3.27Å; V311-T315 WeakPolarHBondContact O-CG2 3.49Å; V311-T315 PolarHBondContact O-N 2.84Å; V311-T315 PolarHBondContact O-OG1 2.87Å
312S94.9Very high93.1Very high52 Ų5254 Ų5436%0.36428%0.282SS..Hα-helixtrans-58.6-59.5173-1540000110.6D308 R309 L314 T315 E316D308-S312 PolarHBondContact O-N 2.96Å; R309-S312 PolarHBondContact O-N 3.1Å; R309-S312 VanDerWaalsContact O-N 3.12Å; S312-L314 PolarHBondContact O-N 2.79Å; S312-L314 VanDerWaalsContact O-N 3.15Å; S312-T315 PolarHBondContact O-N 3Å; S312-T315 PolarHBondContact O-OG1 2.65Å; S312-E316 WeakPolarHBondContact O-CG 3.48Å; S312-E316 PolarHBondContact O-N 2.92Å; S312-E316 PolarHBondContact OG-OE1 3.19Å
313D94.3Very high93.5Very high60 Ų6052.4 Ų52.432%0.32127%0.274SS..Hα-helixtrans-49.7-45.4178.9-61.7-12.3000110.5R309 E316 E317R309-D313 IonicContact NE-OD2 2.86Å; R309-D313 PolarHBondContact O-N 2.63Å; D313-E316 PolarHBondContact O-N 3.13Å; D313-E317 WeakPolarHBondContact O-CB 3.5Å; D313-E317 VanDerWaalsContact O-CG 3.29Å; D313-E317 WeakPolarHBondContact O-CG 3.4Å; D313-E317 PolarHBondContact O-N 3.33Å
314L93.8Very high93.8Very high1 Ų156.5 Ų56.51%0.00530%0.299CS..Hα-helixtrans-69.8-38.6-179.4-178.567.8000113.4M310 V311 S312 E316 H318 W322 Y325 L326 K329M310-L314 WeakPolarHBondContact O-CB 3.27Å; M310-L314 PolarHBondContact O-N 2.65Å; V311-L314 PolarHBondContact O-N 3.32Å; S312-L314 PolarHBondContact O-N 2.79Å; S312-L314 VanDerWaalsContact O-N 3.15Å; L314-E316 VanDerWaalsContact C-N 3.33Å; L314-H318 HydrophobicContact CD1-CB 4.25Å; L314-H318 CarbonylContact O-C 3.44Å; L314-H318 WeakPolarHBondContact O-CA 3.43Å; L314-H318 WeakPolarHBondContact O-CB 3.37Å; L314-H318 PolarHBondContact O-N 2.81Å; L314-W322 HydrophobicContact CD1-CB 4.27Å; L314-W322 HydrophobicContact CD2-CB 3.94Å; L314-W322 HydrophobicContact CG-CB 3.7Å; L314-Y325 VanDerWaalsContact CD1-CB 3.5Å; L314-L326 HydrophobicContact CD2-CB 4.02Å; L314-L326 HydrophobicContact CD2-CD1 4.08Å; L314-K329 HydrophobicContact CD1-CG 3.92Å
315T92.9Very high94.1Very high28 Ų2859.6 Ų59.617%0.17231%0.307CS..Hα-helixtrans-75.6-21.8176.256.30000113.5L212 V311 S312 A319 W322L212-T315 HydrophobicContact CB-CG2 4.48Å; L212-T315 HydrophobicContact CD1-CG2 4.29Å; L212-T315 HydrophobicContact CD2-CG2 4.44Å; V311-T315 HydrophobicContact CG1-CG2 4.33Å; V311-T315 WeakPolarHBondContact O-CB 3.27Å; V311-T315 WeakPolarHBondContact O-CG2 3.49Å; V311-T315 PolarHBondContact O-N 2.84Å; V311-T315 PolarHBondContact O-OG1 2.87Å; S312-T315 PolarHBondContact O-N 3Å; S312-T315 PolarHBondContact O-OG1 2.65Å; T315-A319 WeakPolarHBondContact O-CA 3.38Å; T315-A319 WeakPolarHBondContact O-CB 3.4Å; T315-A319 PolarHBondContact O-N 3.24Å; T315-W322 HydrophobicContact CG2-CG 4.42Å
316E94.4Very high94.4Very high140 Ų14053.9 Ų53.965%0.65428%0.28SS*.Hα-helixtrans-78.4-44.3173.1-71.4169.7-133.200111.5S312 D313 L314S312-E316 WeakPolarHBondContact O-CG 3.48Å; S312-E316 PolarHBondContact O-N 2.92Å; S312-E316 PolarHBondContact OG-OE1 3.19Å; D313-E316 PolarHBondContact O-N 3.13Å; L314-E316 VanDerWaalsContact C-N 3.33Å
317E94.4Very high94.5Very high116 Ų11654.1 Ų54.154%0.54229%0.286SS..Hα-helixtrans-75.2-39.5178.2-69.1171.3177.800113.2D313 K329D313-E317 WeakPolarHBondContact O-CB 3.5Å; D313-E317 VanDerWaalsContact O-CG 3.29Å; D313-E317 WeakPolarHBondContact O-CG 3.4Å; D313-E317 PolarHBondContact O-N 3.33Å; E317-K329 IonicContact OE1-NZ 2.63Å; E317-K329 IonicContact OE2-NZ 3.79Å; E317-K329 PolarHBondContact OE2-NZ 2.84Å
318H92.9Very high94.5Very high43 Ų4357.5 Ų57.520%0.19931%0.314CS..  trans-132.747-165.4-65.2-73.2000112.7L314 A320 D321 W322 Y325L314-H318 HydrophobicContact CD1-CB 4.25Å; L314-H318 CarbonylContact O-C 3.44Å; L314-H318 WeakPolarHBondContact O-CA 3.43Å; L314-H318 WeakPolarHBondContact O-CB 3.37Å; L314-H318 PolarHBondContact O-N 2.81Å; H318-A320 PolarHBondContact O-N 3Å; H318-D321 WeakPolarHBondContact CB-OD1 3.29Å; H318-D321 IonicContact ND1-OD1 3.74Å; H318-D321 PolarHBondContact O-N 2.93Å; H318-W322 HydrophobicContact CB-CB 4.42Å; H318-W322 WeakPolarHBondContact O-CA 3.48Å; H318-W322 VanDerWaalsContact O-CB 3.32Å; H318-W322 WeakPolarHBondContact O-CB 3.5Å; H318-W322 PolarHBondContact O-N 3.07Å; H318-Y325 HydrophobicContact CB-CD2 4Å; H318-Y325 HydrophobicContact CB-CE2 4.47Å; H318-Y325 AromaticContact CE1-CD2 3.91Å; H318-Y325 AromaticContact CE1-CE1 3.85Å; H318-Y325 AromaticContact CE1-CE2 3.54Å; H318-Y325 AromaticContact CE1-CZ 3.49Å; H318-Y325 VanDerWaalsContact CE1-CZ 3.49Å; H318-Y325 AromaticContact CG-CD2 3.6Å; H318-Y325 AromaticContact CG-CE2 3.84Å; H318-Y325 AromaticContact ND1-CD2 3.53Å; H318-Y325 AromaticContact ND1-CE2 3.24Å; H318-Y325 WeakPolarHBondContact ND1-CE2 3.48Å; H318-Y325 AromaticContact ND1-CZ 3.71Å
319A91.3Very high94.6Very high47 Ų4756.9 Ų56.939%0.38831%0.308SS..THydrogen-bonded Turntrans-53.6-29.5-173.800000115.5T315T315-A319 WeakPolarHBondContact O-CA 3.38Å; T315-A319 WeakPolarHBondContact O-CB 3.4Å; T315-A319 PolarHBondContact O-N 3.24Å
320A92.8Very high94.7Very high49 Ų4949.1 Ų49.141%0.40528%0.279SS..THydrogen-bonded Turntrans-94-16-175.600000114.5T215 L216 H318T215-A320 CarbonylContact C-O 3.6Å; T215-A320 WeakPolarHBondContact CA-O 3.34Å; T215-A320 VanDerWaalsContact CB-O 3.22Å; T215-A320 WeakPolarHBondContact CB-O 3.43Å; L216-A320 PolarHBondContact N-O 3.12Å; H318-A320 PolarHBondContact O-N 3Å
321D95.8Very high94.6Very high53 Ų5353.7 Ų53.728%0.28330%0.299SS..THydrogen-bonded Turntrans-150.220.4-166.358.7-15.2000113.3H318 D323 V324H318-D321 WeakPolarHBondContact CB-OD1 3.29Å; H318-D321 IonicContact ND1-OD1 3.74Å; H318-D321 PolarHBondContact O-N 2.93Å; D321-D323 PolarHBondContact O-N 2.79Å; D321-V324 HydrophobicContact CB-CG2 4.43Å; D321-V324 WeakPolarHBondContact O-CB 3.15Å; D321-V324 PolarHBondContact O-N 3.37Å
322W96.4Very high94.6Very high0 Ų054.6 Ų54.60%031%0.311CS..Hα-helixtrans-53.3-26.9178.958.8-103.8000113.5L212 P213 T215 H219 I222 P237 L314 T315 H318 V324 Y325 L326L212-W322 HydrophobicContact CB-CZ2 4.06Å; L212-W322 HydrophobicContact CD1-CH2 4.15Å; L212-W322 HydrophobicContact CD1-CZ2 3.95Å; P213-W322 PolarHBondContact O-NE1 3.08Å; T215-W322 VanDerWaalsContact CG2-CD1 3.41Å; T215-W322 HydrophobicContact CG2-CD2 3.71Å; T215-W322 HydrophobicContact CG2-CG 3.75Å; T215-W322 HydrophobicContact CG2-CZ2 3.88Å; H219-W322 HydrophobicContact CB-CH2 3.83Å; H219-W322 HydrophobicContact CB-CZ2 4.07Å; I222-W322 HydrophobicContact CD1-CE3 4.01Å; I222-W322 HydrophobicContact CD1-CH2 4.37Å; I222-W322 HydrophobicContact CD1-CZ3 3.74Å; I222-W322 HydrophobicContact CG1-CE3 4.22Å; I222-W322 HydrophobicContact CG1-CH2 3.78Å; I222-W322 HydrophobicContact CG1-CZ3 3.43Å; I222-W322 VanDerWaalsContact CG1-CZ3 3.43Å; P237-W322 HydrophobicContact CB-CH2 4.24Å; P237-W322 HydrophobicContact CB-CZ3 3.84Å; L314-W322 HydrophobicContact CD1-CB 4.27Å; L314-W322 HydrophobicContact CD2-CB 3.94Å; L314-W322 HydrophobicContact CG-CB 3.7Å; T315-W322 HydrophobicContact CG2-CG 4.42Å; H318-W322 HydrophobicContact CB-CB 4.42Å; H318-W322 WeakPolarHBondContact O-CA 3.48Å; H318-W322 VanDerWaalsContact O-CB 3.32Å; H318-W322 WeakPolarHBondContact O-CB 3.5Å; H318-W322 PolarHBondContact O-N 3.07Å; W322-V324 PolarHBondContact O-N 3Å; W322-Y325 PolarHBondContact O-N 3.11Å; W322-L326 HydrophobicContact CZ3-CD2 4.2Å; W322-L326 WeakPolarHBondContact O-CB 3.5Å; W322-L326 PolarHBondContact O-N 2.83Å
323D96.3Very high94.5Very high14 Ų1453.1 Ų53.18%0.07530%0.298CS..Hα-helixtrans-64.8-27.8177.662.3-59.3000113.2T215 N217 H219 P237 D321T215-D323 WeakPolarHBondContact CB-OD1 3.38Å; T215-D323 HydrophobicContact CG2-CB 4.24Å; T215-D323 WeakPolarHBondContact CG2-OD1 3.04Å; T215-D323 PolarHBondContact OG1-OD1 3.07Å; N217-D323 WeakPolarHBondContact CB-OD2 3.34Å; N217-D323 PolarHBondContact ND2-OD2 2.96Å; H219-D323 HydrophobicContact CB-CB 4Å; H219-D323 IonicContact CE1-OD2 3.46Å; H219-D323 PolarHBondContact CE1-OD2 2.96Å; H219-D323 IonicContact CG-OD2 3.88Å; H219-D323 WeakPolarHBondContact ND1-CB 3.29Å; H219-D323 VanDerWaalsContact ND1-CG 3.34Å; H219-D323 IonicContact ND1-OD2 2.73Å; H219-D323 PolarHBondContact ND1-OD2 2.9Å; P237-D323 HydrophobicContact CB-CB 3.77Å; P237-D323 HydrophobicContact CG-CB 4.14Å; D321-D323 PolarHBondContact O-N 2.79Å
324V95.8Very high94.4Very high92 Ų9250.3 Ų50.356%0.55828%0.284SS*.Hα-helixtrans-74.3-37.4175.7-176.20000111.2D321 W322D321-V324 HydrophobicContact CB-CG2 4.43Å; D321-V324 WeakPolarHBondContact O-CB 3.15Å; D321-V324 PolarHBondContact O-N 3.37Å; W322-V324 PolarHBondContact O-N 3Å
325Y96.1Very high94.3Very high97 Ų9753.9 Ų53.938%0.3830%0.299SS..Hα-helixtrans-90.2-18.1-176.4-67.5-81.9000113.8L314 H318 W322 A328 K329L314-Y325 VanDerWaalsContact CD1-CB 3.5Å; H318-Y325 HydrophobicContact CB-CD2 4Å; H318-Y325 HydrophobicContact CB-CE2 4.47Å; H318-Y325 AromaticContact CE1-CD2 3.91Å; H318-Y325 AromaticContact CE1-CE1 3.85Å; H318-Y325 AromaticContact CE1-CE2 3.54Å; H318-Y325 AromaticContact CE1-CZ 3.49Å; H318-Y325 VanDerWaalsContact CE1-CZ 3.49Å; H318-Y325 AromaticContact CG-CD2 3.6Å; H318-Y325 AromaticContact CG-CE2 3.84Å; H318-Y325 AromaticContact ND1-CD2 3.53Å; H318-Y325 AromaticContact ND1-CE2 3.24Å; H318-Y325 WeakPolarHBondContact ND1-CE2 3.48Å; H318-Y325 AromaticContact ND1-CZ 3.71Å; W322-Y325 PolarHBondContact O-N 3.11Å; Y325-A328 PolarHBondContact O-N 3.09Å; Y325-K329 PolarHBondContact O-N 2.88Å; Y325-K329 VanDerWaalsContact O-N 3.1Å
326L96.3Very high94.2Very high0 Ų058.8 Ų58.80%032%0.318CS..Hα-helixtrans-51.7-50-178.9174.565.6000113.2I222 A235 P237 M310 L314 W322 A328 K329 V330I222-L326 HydrophobicContact CD1-CD1 3.96Å; I222-L326 HydrophobicContact CD1-CD2 4.03Å; I222-L326 HydrophobicContact CG1-CD2 3.97Å; I222-L326 HydrophobicContact CG2-CD1 4.46Å; I222-L326 HydrophobicContact CG2-CD2 3.94Å; A235-L326 HydrophobicContact CB-CD1 4.4Å; P237-L326 HydrophobicContact CB-CD2 4.25Å; M310-L326 HydrophobicContact CE-CD1 3.84Å; L314-L326 HydrophobicContact CD2-CB 4.02Å; L314-L326 HydrophobicContact CD2-CD1 4.08Å; W322-L326 HydrophobicContact CZ3-CD2 4.2Å; W322-L326 WeakPolarHBondContact O-CB 3.5Å; W322-L326 PolarHBondContact O-N 2.83Å; L326-A328 VanDerWaalsContact C-N 3.29Å; L326-A328 PolarHBondContact O-N 2.91Å; L326-K329 PolarHBondContact O-N 3.3Å; L326-V330 HydrophobicContact CD1-CG2 3.56Å; L326-V330 HydrophobicContact CG-CG2 4.1Å; L326-V330 WeakPolarHBondContact O-CB 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.42Å; L326-V330 PolarHBondContact O-N 3.14Å
327P95.1Very high94Very high74 Ų7458.5 Ų58.548%0.48132%0.317SS..Hα-helixtrans-59.3-39.3-179.4-2435.2000112.7V330 F331P327-V330 PolarHBondContact O-N 2.99Å; P327-F331 VanDerWaalsContact O-CB 3.3Å; P327-F331 WeakPolarHBondContact O-CB 3.03Å; P327-F331 PolarHBondContact O-N 2.97Å
328A94.2Very high93.7Very high72 Ų7253.4 Ų53.460%0.59529%0.293SS*.Hα-helixtrans-68.3-41.6179.500000112.3Y325 L326 G332Y325-A328 PolarHBondContact O-N 3.09Å; L326-A328 VanDerWaalsContact C-N 3.29Å; L326-A328 PolarHBondContact O-N 2.91Å; A328-G332 PolarHBondContact O-N 3.36Å
329K95.2Very high93.3Very high65 Ų6554.3 Ų54.328%0.28330%0.304SS..Hα-helixtrans-66.3-40.8176.4-66.6-83.8-170.6164.40111.5M310 L314 E317 Y325 L326 G332 L333M310-K329 HydrophobicContact CG-CB 3.75Å; M310-K329 VanDerWaalsContact SD-C 3.56Å; M310-K329 HydrophobicContact SD-CB 3.72Å; L314-K329 HydrophobicContact CD1-CG 3.92Å; E317-K329 IonicContact OE1-NZ 2.63Å; E317-K329 IonicContact OE2-NZ 3.79Å; E317-K329 PolarHBondContact OE2-NZ 2.84Å; Y325-K329 PolarHBondContact O-N 2.88Å; Y325-K329 VanDerWaalsContact O-N 3.1Å; L326-K329 PolarHBondContact O-N 3.3Å; K329-G332 CarbonylContact O-C 3.57Å; K329-G332 WeakPolarHBondContact O-CA 3.35Å; K329-G332 PolarHBondContact O-N 2.84Å; K329-L333 PolarHBondContact O-N 2.75Å
330V95.6Very high92.9Very high8 Ų856.3 Ų56.35%0.04831%0.311CS..Hα-helixtrans-66.6-46.1178.8173.10000111.4V233 A235 M310 L326 P327 G332 L333 C334V233-V330 HydrophobicContact CB-CG1 4.32Å; V233-V330 HydrophobicContact CG1-CG1 4.18Å; V233-V330 WeakPolarHBondContact O-CG1 3.17Å; A235-V330 HydrophobicContact CB-CB 4.45Å; A235-V330 HydrophobicContact CB-CG1 4.08Å; A235-V330 HydrophobicContact CB-CG2 3.59Å; M310-V330 HydrophobicContact CE-CG2 3.69Å; M310-V330 HydrophobicContact SD-CB 4.44Å; M310-V330 HydrophobicContact SD-CG2 3.77Å; L326-V330 HydrophobicContact CD1-CG2 3.56Å; L326-V330 HydrophobicContact CG-CG2 4.1Å; L326-V330 WeakPolarHBondContact O-CB 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.42Å; L326-V330 PolarHBondContact O-N 3.14Å; P327-V330 PolarHBondContact O-N 2.99Å; V330-G332 PolarHBondContact O-N 3.04Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 3.29Å; V330-C334 PolarHBondContact O-N 3.4Å
331F94.2Very high92.5Very high107 Ų10756.1 Ų56.147%0.46931%0.305SS..Hα-helixtrans-60.5-37.1172.6-162.6-110.5000111.2W232 P327 L333 C334 F335W232-F331 HydrophobicContact CH2-CD2 4.26Å; W232-F331 HydrophobicContact CH2-CE2 4.12Å; P327-F331 VanDerWaalsContact O-CB 3.3Å; P327-F331 WeakPolarHBondContact O-CB 3.03Å; P327-F331 PolarHBondContact O-N 2.97Å; F331-L333 VanDerWaalsContact C-N 3.29Å; F331-L333 PolarHBondContact O-N 3.24Å; F331-C334 PolarHBondContact O-N 3.14Å; F331-C334 VanDerWaalsContact O-N 3.08Å; F331-F335 HydrophobicContact CD1-CD2 4.14Å; F331-F335 AromaticContact CD1-CE2 3.98Å; F331-F335 HydrophobicContact CD1-CE2 3.98Å; F331-F335 HydrophobicContact CD2-CE2 4.33Å; F331-F335 AromaticContact CE1-CD2 3.98Å; F331-F335 HydrophobicContact CE1-CD2 3.98Å; F331-F335 AromaticContact CE1-CE2 3.39Å; F331-F335 HydrophobicContact CE1-CE2 3.39Å; F331-F335 AromaticContact CE1-CZ 3.93Å; F331-F335 HydrophobicContact CE1-CZ 3.93Å; F331-F335 AromaticContact CE2-CE2 3.8Å; F331-F335 HydrophobicContact CE2-CE2 3.8Å; F331-F335 HydrophobicContact CG-CE2 4.43Å; F331-F335 HydrophobicContact CZ-CD2 4.22Å; F331-F335 AromaticContact CZ-CE2 3.29Å; F331-F335 HydrophobicContact CZ-CE2 3.29Å; F331-F335 AromaticContact CZ-CZ 3.83Å; F331-F335 HydrophobicContact CZ-CZ 3.83Å; F331-F335 WeakPolarHBondContact O-CD2 3.35Å; F331-F335 PolarHBondContact O-N 2.96Å
332G94.4Very high92.3Very high29 Ų2960.1 Ų60.130%0.29932%0.32SS..Hα-helixtrans-61.7-27.1171.200000115A328 K329 V330 K336A328-G332 PolarHBondContact O-N 3.36Å; K329-G332 CarbonylContact O-C 3.57Å; K329-G332 WeakPolarHBondContact O-CA 3.35Å; K329-G332 PolarHBondContact O-N 2.84Å; V330-G332 PolarHBondContact O-N 3.04Å; G332-K336 WeakPolarHBondContact O-CG 3.15Å
333L92Very high92Very high20 Ų2064.4 Ų64.411%0.10534%0.34CS..Hα-helixtrans-71.3-43.6168.5-65.3-178.1000110.9L306 I307 M310 K329 V330 F331 F335 K336L306-L333 HydrophobicContact CB-CD2 4.3Å; I307-L333 HydrophobicContact CG1-CD1 4.09Å; M310-L333 HydrophobicContact CB-CD1 4.2Å; M310-L333 HydrophobicContact CE-CD1 4.46Å; M310-L333 HydrophobicContact CG-CD1 4.33Å; M310-L333 HydrophobicContact SD-CD1 3.52Å; M310-L333 VanDerWaalsContact SD-CD1 3.52Å; M310-L333 HydrophobicContact SD-CG 3.91Å; K329-L333 PolarHBondContact O-N 2.75Å; V330-L333 WeakPolarHBondContact O-CB 3.3Å; V330-L333 PolarHBondContact O-N 3.29Å; F331-L333 VanDerWaalsContact C-N 3.29Å; F331-L333 PolarHBondContact O-N 3.24Å; L333-F335 PolarHBondContact O-N 3.32Å; L333-F335 VanDerWaalsContact O-N 3.12Å; L333-K336 HydrophobicContact CD2-CD 4.43Å; L333-K336 PolarHBondContact O-N 3.45Å
334C92.7Very high91.8Very high2 Ų270 Ų701%0.01436%0.36CS..Hα-helixtrans-66.1-14.5-177.7-62.20000114.5W232 V330 F331 P345 F346W232-C334 HydrophobicContact CD2-CB 4.43Å; W232-C334 HydrophobicContact CE3-CB 3.71Å; W232-C334 HydrophobicContact CH2-CB 4.13Å; W232-C334 HydrophobicContact CZ3-CB 3.53Å; V330-C334 PolarHBondContact O-N 3.4Å; F331-C334 PolarHBondContact O-N 3.14Å; F331-C334 VanDerWaalsContact O-N 3.08Å; C334-P345 HydrophobicContact CB-CB 4.24Å; C334-P345 VanDerWaalsContact O-CD 3.29Å; C334-P345 WeakPolarHBondContact O-CD 3.5Å; C334-F346 WeakPolarHBondContact O-CB 3.33Å; C334-F346 PolarHBondContact O-N 2.62Å
335F91.7Very high91.6Very high76 Ų7665.8 Ų65.833%0.33334%0.335SS..THydrogen-bonded Turntrans-99.4-6.4174-84.3-107.1000114.4F331 L333 R344 F346F331-F335 HydrophobicContact CD1-CD2 4.14Å; F331-F335 AromaticContact CD1-CE2 3.98Å; F331-F335 HydrophobicContact CD1-CE2 3.98Å; F331-F335 HydrophobicContact CD2-CE2 4.33Å; F331-F335 AromaticContact CE1-CD2 3.98Å; F331-F335 HydrophobicContact CE1-CD2 3.98Å; F331-F335 AromaticContact CE1-CE2 3.39Å; F331-F335 HydrophobicContact CE1-CE2 3.39Å; F331-F335 AromaticContact CE1-CZ 3.93Å; F331-F335 HydrophobicContact CE1-CZ 3.93Å; F331-F335 AromaticContact CE2-CE2 3.8Å; F331-F335 HydrophobicContact CE2-CE2 3.8Å; F331-F335 HydrophobicContact CG-CE2 4.43Å; F331-F335 HydrophobicContact CZ-CD2 4.22Å; F331-F335 AromaticContact CZ-CE2 3.29Å; F331-F335 HydrophobicContact CZ-CE2 3.29Å; F331-F335 AromaticContact CZ-CZ 3.83Å; F331-F335 HydrophobicContact CZ-CZ 3.83Å; F331-F335 WeakPolarHBondContact O-CD2 3.35Å; F331-F335 PolarHBondContact O-N 2.96Å; L333-F335 PolarHBondContact O-N 3.32Å; L333-F335 VanDerWaalsContact O-N 3.12Å; F335-R344 VanDerWaalsContact O-CD 3.25Å; F335-R344 WeakPolarHBondContact O-CD 3.33Å; F335-R344 WeakPolarHBondContact O-CG 3.39Å; F335-R344 PolarHBondContact O-NE 3.19Å; F335-F346 HydrophobicContact CD2-CB 4.05Å; F335-F346 HydrophobicContact CD2-CD2 4.44Å; F335-F346 HydrophobicContact CD2-CG 4.28Å; F335-F346 HydrophobicContact CE1-CD1 4.02Å; F335-F346 HydrophobicContact CE1-CE1 4.36Å; F335-F346 HydrophobicContact CE1-CG 4.13Å; F335-F346 HydrophobicContact CE2-CB 3.72Å; F335-F346 HydrophobicContact CE2-CD1 4.19Å; F335-F346 AromaticContact CE2-CD2 3.37Å; F335-F346 HydrophobicContact CE2-CD2 3.37Å; F335-F346 HydrophobicContact CE2-CE2 4.01Å; F335-F346 AromaticContact CE2-CG 3.48Å; F335-F346 HydrophobicContact CE2-CG 3.48Å; F335-F346 VanDerWaalsContact CE2-CG 3.48Å; F335-F346 HydrophobicContact CZ-CB 4.02Å; F335-F346 AromaticContact CZ-CD1 3.62Å; F335-F346 HydrophobicContact CZ-CD1 3.62Å; F335-F346 AromaticContact CZ-CD2 3.44Å; F335-F346 HydrophobicContact CZ-CD2 3.44Å; F335-F346 VanDerWaalsContact CZ-CD2 3.44Å; F335-F346 AromaticContact CZ-CE1 3.89Å; F335-F346 HydrophobicContact CZ-CE1 3.89Å; F335-F346 AromaticContact CZ-CE2 3.72Å; F335-F346 HydrophobicContact CZ-CE2 3.72Å; F335-F346 AromaticContact CZ-CG 3.39Å; F335-F346 HydrophobicContact CZ-CG 3.39Å; F335-F346 AromaticContact CZ-CZ 3.93Å; F335-F346 HydrophobicContact CZ-CZ 3.93Å
336K90.1Very high91.5Very high130 Ų13064.1 Ų64.157%0.56533%0.33SS*.SBendtrans-80.1145.3172.6-72.6168.5-173.3176.50109.8G332 L333 H338 P345G332-K336 WeakPolarHBondContact O-CG 3.15Å; L333-K336 HydrophobicContact CD2-CD 4.43Å; L333-K336 PolarHBondContact O-N 3.45Å; K336-H338 PolarHBondContact O-N 2.95Å; K336-P345 VanDerWaalsContact O-CD 3.31Å; K336-P345 WeakPolarHBondContact O-CD 3.41Å
337Q90.5Very high91.3Very high135 Ų13566.5 Ų66.563%0.63134%0.344SS*.PPolyproline II helixtrans-69.4119.7173.3-170.5-17914.800108.4K342Q337-K342 VanDerWaalsContact CG-O 3.3Å; Q337-K342 WeakPolarHBondContact CG-O 3.41Å; Q337-K342 PolarHBondContact NE2-O 3.3Å
338H87.7Confident91.1Very high8 Ų863.8 Ų63.84%0.03733%0.325CS..PPolyproline II helixtrans-75.5137.3178.8-173-103.4000110.1K336 V340 K342 E343K336-H338 PolarHBondContact O-N 2.95Å; H338-V340 VanDerWaalsContact C-N 3.3Å; H338-V340 PolarHBondContact O-N 3.28Å; H338-K342 WeakPolarHBondContact O-CA 3.16Å; H338-K342 PolarHBondContact O-N 3.26Å; H338-E343 PolarHBondContact N-O 3.07Å
339S84.3Confident90.9Very high62 Ų6260.5 Ų60.543%0.43430%0.298SS..THydrogen-bonded Turntrans-70.9-23.2-167.454.50000114I302 K342I302-S339 WeakPolarHBondContact CD1-OG 3.08Å; S339-K342 WeakPolarHBondContact O-CD 3.42Å; S339-K342 VanDerWaalsContact O-CE 3.3Å; S339-K342 WeakPolarHBondContact O-CE 3.39Å; S339-K342 PolarHBondContact O-NZ 3.03Å
340V84.6Confident90.5Very high90 Ų9060.1 Ų60.155%0.54530%0.303SS..THydrogen-bonded Turntrans-83.5-61.8175.6-177.10000111.2I302 H338 K342I302-V340 HydrophobicContact CD1-CG2 3.82Å; H338-V340 VanDerWaalsContact C-N 3.3Å; H338-V340 PolarHBondContact O-N 3.28Å; V340-K342 PolarHBondContact O-N 3.36Å
341T84.5Confident89.9Confident45 Ų4563.5 Ų63.528%0.27633%0.326SS..THydrogen-bonded Turntrans-71-17.4-174.155.80000113.2R231 E343 L348R231-T341 HydrophobicContact CG-CG2 4.17Å; T341-E343 PolarHBondContact O-N 3.36Å; T341-E343 VanDerWaalsContact O-N 3.09Å; T341-L348 HydrophobicContact CG2-CD1 4.21Å
342K89.9Confident89.1Confident137 Ų13763.5 Ų63.560%0.59633%0.331SS*.SBendtrans58.512.8-172-50.6-55.1-174-1700114.2Q337 H338 S339 V340Q337-K342 VanDerWaalsContact CG-O 3.3Å; Q337-K342 WeakPolarHBondContact CG-O 3.41Å; Q337-K342 PolarHBondContact NE2-O 3.3Å; H338-K342 WeakPolarHBondContact O-CA 3.16Å; H338-K342 PolarHBondContact O-N 3.26Å; S339-K342 WeakPolarHBondContact O-CD 3.42Å; S339-K342 VanDerWaalsContact O-CE 3.3Å; S339-K342 WeakPolarHBondContact O-CE 3.39Å; S339-K342 PolarHBondContact O-NZ 3.03Å; V340-K342 PolarHBondContact O-N 3.36Å
343E90.4Very high87.8Confident89 Ų8964.8 Ų64.842%0.41635%0.345SS..SBendtrans-119.2171.5176-63.7-155.4162.300111.5H338 T341 L348H338-E343 PolarHBondContact N-O 3.07Å; T341-E343 PolarHBondContact O-N 3.36Å; T341-E343 VanDerWaalsContact O-N 3.09Å; E343-L348 HydrophobicContact CB-CD1 4.04Å; E343-L348 HydrophobicContact CB-CG 4.05Å; E343-L348 WeakPolarHBondContact OE2-CD2 3.46Å; E343-L348 WeakPolarHBondContact OE2-CG 3.45Å
344R92.3Very high86.8Confident131 Ų13167.4 Ų67.449%0.49436%0.358SS..  trans-91136.6174.4-62175.1-178.3172.81108.9F335 F346 T347 L348F335-R344 VanDerWaalsContact O-CD 3.25Å; F335-R344 WeakPolarHBondContact O-CD 3.33Å; F335-R344 WeakPolarHBondContact O-CG 3.39Å; F335-R344 PolarHBondContact O-NE 3.19Å; R344-F346 PolarHBondContact O-N 2.79Å; R344-T347 WeakPolarHBondContact O-CA 3.46Å; R344-T347 WeakPolarHBondContact O-CB 3.18Å; R344-T347 PolarHBondContact O-N 2.99Å; R344-L348 PolarHBondContact O-N 3.48Å; R344-L348 VanDerWaalsContact O-N 3.15Å
345P93.2Very high86.2Confident5 Ų575.3 Ų75.33%0.03240%0.395CS..Hα-helixtrans-52.5-38.1175.2-28.934.1000114.4S230 R231 W232 C334 K336 T347 L348 L349S230-P345 VanDerWaalsContact O-CA 3.23Å; S230-P345 WeakPolarHBondContact O-CA 2.83Å; S230-P345 WeakPolarHBondContact O-CB 3.36Å; R231-P345 HydrophobicContact CB-CG 4.16Å; R231-P345 WeakPolarHBondContact O-CG 3.21Å; W232-P345 HydrophobicContact CB-CB 4.4Å; W232-P345 HydrophobicContact CE3-CB 4.24Å; C334-P345 HydrophobicContact CB-CB 4.24Å; C334-P345 VanDerWaalsContact O-CD 3.29Å; C334-P345 WeakPolarHBondContact O-CD 3.5Å; K336-P345 VanDerWaalsContact O-CD 3.31Å; K336-P345 WeakPolarHBondContact O-CD 3.41Å; P345-T347 VanDerWaalsContact C-N 3.31Å; P345-T347 PolarHBondContact O-N 3.25Å; P345-L348 PolarHBondContact O-N 3.35Å; P345-L349 WeakPolarHBondContact O-CB 3.4Å; P345-L349 PolarHBondContact O-N 3.15Å
346F92.5Very high85.7Confident62 Ų6275 Ų7527%0.27240%0.401SS..Hα-helixtrans-59.5-37.9173.9-179-93.6000113.5W232 C334 F335 R344 C350 C351W232-F346 HydrophobicContact CH2-CD2 4.29Å; W232-F346 HydrophobicContact CZ3-CB 4.03Å; W232-F346 AromaticContact CZ3-CD2 3.96Å; W232-F346 HydrophobicContact CZ3-CD2 3.96Å; W232-F346 HydrophobicContact CZ3-CG 4.5Å; C334-F346 WeakPolarHBondContact O-CB 3.33Å; C334-F346 PolarHBondContact O-N 2.62Å; F335-F346 HydrophobicContact CD2-CB 4.05Å; F335-F346 HydrophobicContact CD2-CD2 4.44Å; F335-F346 HydrophobicContact CD2-CG 4.28Å; F335-F346 HydrophobicContact CE1-CD1 4.02Å; F335-F346 HydrophobicContact CE1-CE1 4.36Å; F335-F346 HydrophobicContact CE1-CG 4.13Å; F335-F346 HydrophobicContact CE2-CB 3.72Å; F335-F346 HydrophobicContact CE2-CD1 4.19Å; F335-F346 AromaticContact CE2-CD2 3.37Å; F335-F346 HydrophobicContact CE2-CD2 3.37Å; F335-F346 HydrophobicContact CE2-CE2 4.01Å; F335-F346 AromaticContact CE2-CG 3.48Å; F335-F346 HydrophobicContact CE2-CG 3.48Å; F335-F346 VanDerWaalsContact CE2-CG 3.48Å; F335-F346 HydrophobicContact CZ-CB 4.02Å; F335-F346 AromaticContact CZ-CD1 3.62Å; F335-F346 HydrophobicContact CZ-CD1 3.62Å; F335-F346 AromaticContact CZ-CD2 3.44Å; F335-F346 HydrophobicContact CZ-CD2 3.44Å; F335-F346 VanDerWaalsContact CZ-CD2 3.44Å; F335-F346 AromaticContact CZ-CE1 3.89Å; F335-F346 HydrophobicContact CZ-CE1 3.89Å; F335-F346 AromaticContact CZ-CE2 3.72Å; F335-F346 HydrophobicContact CZ-CE2 3.72Å; F335-F346 AromaticContact CZ-CG 3.39Å; F335-F346 HydrophobicContact CZ-CG 3.39Å; F335-F346 AromaticContact CZ-CZ 3.93Å; F335-F346 HydrophobicContact CZ-CZ 3.93Å; R344-F346 PolarHBondContact O-N 2.79Å; F346-C350 HydrophobicContact CD2-CB 4.04Å; F346-C350 HydrophobicContact CE2-CB 3.9Å; F346-C350 HydrophobicContact CG-CB 4.49Å; F346-C350 HydrophobicContact CZ-CB 4.22Å; F346-C350 WeakPolarHBondContact O-CA 3.4Å; F346-C350 VanDerWaalsContact O-CB 3.29Å; F346-C350 WeakPolarHBondContact O-CB 2.99Å; F346-C350 PolarHBondContact O-N 2.92Å; F346-C351 PolarHBondContact O-N 3.39Å
347T91.4Very high85.6Confident50 Ų5072 Ų7231%0.30739%0.39SS..Iπ-helixtrans-68-48.4176-57.20000110.5R344 P345 L349 C351R344-T347 WeakPolarHBondContact O-CA 3.46Å; R344-T347 WeakPolarHBondContact O-CB 3.18Å; R344-T347 PolarHBondContact O-N 2.99Å; P345-T347 VanDerWaalsContact C-N 3.31Å; P345-T347 PolarHBondContact O-N 3.25Å; T347-L349 PolarHBondContact O-N 3.28Å; T347-C351 HydrophobicContact CG2-CB 4.42Å; T347-C351 WeakPolarHBondContact O-CB 3.22Å; T347-C351 PolarHBondContact O-N 3.03Å
348L91.4Very high85.5Confident16 Ų1674.7 Ų74.78%0.08440%0.4CS..Iπ-helixtrans-64.8-38.9-177.4-76.3171000113.6Y229 T341 E343 R344 P345 N352Y229-L348 HydrophobicContact CE1-CD2 4.37Å; T341-L348 HydrophobicContact CG2-CD1 4.21Å; E343-L348 HydrophobicContact CB-CD1 4.04Å; E343-L348 HydrophobicContact CB-CG 4.05Å; E343-L348 WeakPolarHBondContact OE2-CD2 3.46Å; E343-L348 WeakPolarHBondContact OE2-CG 3.45Å; R344-L348 PolarHBondContact O-N 3.48Å; R344-L348 VanDerWaalsContact O-N 3.15Å; P345-L348 PolarHBondContact O-N 3.35Å; L348-N352 PolarHBondContact O-ND2 3.43Å
349L90.6Very high85.4Confident3 Ų377.7 Ų77.72%0.01642%0.422CS..Iπ-helixtrans-87.1-57.8-179.4-16685.6000112.2A200 W201 W232 F257 P345 T347 L354A200-L349 HydrophobicContact CB-CD1 4.16Å; W201-L349 HydrophobicContact CB-CD1 4.38Å; W201-L349 HydrophobicContact CE3-CD1 4Å; W232-L349 HydrophobicContact CB-CB 4.41Å; W232-L349 HydrophobicContact CB-CD1 4.42Å; W232-L349 HydrophobicContact CB-CD2 4.02Å; W232-L349 HydrophobicContact CD2-CB 4.5Å; W232-L349 HydrophobicContact CD2-CD2 3.49Å; W232-L349 VanDerWaalsContact CD2-CD2 3.49Å; W232-L349 HydrophobicContact CE3-CB 4.26Å; W232-L349 HydrophobicContact CE3-CD2 3.96Å; W232-L349 HydrophobicContact CG-CD2 3.51Å; W232-L349 HydrophobicContact CG-CG 4.48Å; F257-L349 HydrophobicContact CD1-CD2 4.15Å; F257-L349 HydrophobicContact CE1-CD2 3.73Å; P345-L349 WeakPolarHBondContact O-CB 3.4Å; P345-L349 PolarHBondContact O-N 3.15Å; T347-L349 PolarHBondContact O-N 3.28Å; L349-L354 HydrophobicContact CD1-CD1 3.29Å; L349-L354 HydrophobicContact CG-CD1 3.7Å
350C86.4Confident85.6Confident57 Ų5776.2 Ų76.239%0.38541%0.411SS..Iπ-helixtrans-89.3-39-164.2-56.20000113.1F346 N352F346-C350 HydrophobicContact CD2-CB 4.04Å; F346-C350 HydrophobicContact CE2-CB 3.9Å; F346-C350 HydrophobicContact CG-CB 4.49Å; F346-C350 HydrophobicContact CZ-CB 4.22Å; F346-C350 WeakPolarHBondContact O-CA 3.4Å; F346-C350 VanDerWaalsContact O-CB 3.29Å; F346-C350 WeakPolarHBondContact O-CB 2.99Å; F346-C350 PolarHBondContact O-N 2.92Å; C350-N352 VanDerWaalsContact C-N 3.34Å
351C84Confident85.7Confident79 Ų7974.8 Ų74.853%0.53440%0.395SS..Iπ-helixtrans-76-22.6-177.4-60.60000113.3F346 T347 G353F346-C351 PolarHBondContact O-N 3.39Å; T347-C351 HydrophobicContact CG2-CB 4.42Å; T347-C351 WeakPolarHBondContact O-CB 3.22Å; T347-C351 PolarHBondContact O-N 3.03Å; C351-G353 VanDerWaalsContact C-N 3.25Å; C351-G353 PolarHBondContact O-N 3.37Å
352N76.5Confident85.4Confident107 Ų10775.9 Ų75.957%0.57242%0.415SS*.THydrogen-bonded Turntrans-82.14.6-179.5-69.7-20.6000114.2L348 C350L348-N352 PolarHBondContact O-ND2 3.43Å; C350-N352 VanDerWaalsContact C-N 3.34Å
353G66.1Low84.9Confident57 Ų5771.3 Ų71.359%0.58840%0.397SS*.THydrogen-bonded Turntrans73.543.2170.300000114.9C351 E355C351-G353 VanDerWaalsContact C-N 3.25Å; C351-G353 PolarHBondContact O-N 3.37Å; G353-E355 PolarHBondContact O-N 3.32Å; G353-E355 VanDerWaalsContact O-N 3.14Å
354L73.1Confident84.1Confident75 Ų7574.7 Ų74.739%0.39342%0.418SS..  trans-57.8115.2173.3-100.7170.3000111.6A200 W201 L349 P356A200-L354 HydrophobicContact CB-CD1 3.76Å; A200-L354 HydrophobicContact CB-CG 4.4Å; W201-L354 HydrophobicContact CB-CD1 3.96Å; W201-L354 HydrophobicContact CB-CD2 4.29Å; L349-L354 HydrophobicContact CD1-CD1 3.29Å; L349-L354 HydrophobicContact CG-CD1 3.7Å; L354-P356 WeakPolarHBondContact O-CD 3.48Å
355E78.3Confident83.2Confident167 Ų16772.5 Ų72.578%0.7841%0.41SS*.  trans-82.3123.8169.4-66.8-164160.900110.5G353 I357G353-E355 PolarHBondContact O-N 3.32Å; G353-E355 VanDerWaalsContact O-N 3.14Å; E355-I357 PolarHBondContact O-N 2.75Å; E355-I357 VanDerWaalsContact O-N 3.09Å
356P82.9Confident82.4Confident70 Ų7077.5 Ų77.546%0.45544%0.441SS..  trans-62.4113179-26.536.4000112.4L354 K358L354-P356 WeakPolarHBondContact O-CD 3.48Å; P356-K358 WeakPolarHBondContact O-CG 3.19Å; P356-K358 PolarHBondContact O-N 3.22Å
357I88.1Confident81.7Confident67 Ų6777.2 Ų77.234%0.34444%0.442SS..BIsolated β-bridgetrans-72117.7176.9-61.4169.8000108.6G258 Y259 E355 S359 R361G258-I357 CarbonylContact C-O 3.6Å; G258-I357 WeakPolarHBondContact CA-O 3.06Å; Y259-I357 WeakPolarHBondContact CD2-O 3.39Å; Y259-I357 PolarHBondContact N-O 2.93Å; E355-I357 PolarHBondContact O-N 2.75Å; E355-I357 VanDerWaalsContact O-N 3.09Å; I357-S359 WeakPolarHBondContact CG2-O 3.23Å; I357-S359 PolarHBondContact O-N 3.04Å; I357-R361 HydrophobicContact CD1-CG 4.14Å; I357-R361 HydrophobicContact CG2-CG 3.94Å
358K87Confident80.9Confident192 Ų19277.4 Ų77.484%0.83545%0.449SS*.  trans-86.92-168.9-61.5-176.7-179.8174.70115.6P356P356-K358 WeakPolarHBondContact O-CG 3.19Å; P356-K358 PolarHBondContact O-N 3.22Å
359S86.6Confident80.4Confident71 Ų7180.4 Ų80.450%0.49746%0.461SS..SBendtrans-143.2155.4-177.657.70000111.3Y259 I357 R361Y259-S359 WeakPolarHBondContact CB-O 3.3Å; I357-S359 WeakPolarHBondContact CG2-O 3.23Å; I357-S359 PolarHBondContact O-N 3.04Å; S359-R361 PolarHBondContact O-N 2.81Å
360P86.9Confident80Confident31 Ų3180.2 Ų80.220%0.20146%0.46CS..PPolyproline II helixtrans-52.1128.3176.2-24.830.9000112.1Y259 D285 T287Y259-P360 HydrophobicContact CD1-CB 4.17Å; Y259-P360 HydrophobicContact CD1-CG 3.93Å; Y259-P360 HydrophobicContact CE1-CB 4.36Å; Y259-P360 HydrophobicContact CE1-CG 3.62Å; D285-P360 HydrophobicContact CB-CG 3.8Å; D285-P360 WeakPolarHBondContact OD2-CD 3.05Å; D285-P360 VanDerWaalsContact OD2-CG 3.25Å; D285-P360 WeakPolarHBondContact OD2-CG 3.2Å; T287-P360 HydrophobicContact CG2-CB 4.14Å
361R87.1Confident79.8Confident60 Ų6081 Ų8123%0.22646%0.458CS..PPolyproline II helixtrans-74138.2178.3-63.7173.870.6163.51.8110.3W201 Y259 L261 I357 S359W201-R361 PolarHBondContact O-NH1 2.83Å; Y259-R361 WeakPolarHBondContact O-CD 3.34Å; L261-R361 HydrophobicContact CD2-CB 3.69Å; I357-R361 HydrophobicContact CD1-CG 4.14Å; I357-R361 HydrophobicContact CG2-CG 3.94Å; S359-R361 PolarHBondContact O-N 2.81Å
362G79.8Confident79.6Confident67 Ų6783.2 Ų83.269%0.69147%0.465SS*.PPolyproline II helixtrans-62.7156.1169.100000111.4L261L261-G362 WeakPolarHBondContact CD2-O 3.37Å
363L78.4Confident79.9Confident41 Ų4178.1 Ų78.122%0.21544%0.438CS..  trans-139136.2175.1-87.5169.9000109.9W203 L261 R262 Y365 I370W203-L363 HydrophobicContact CH2-CD2 4.16Å; W203-L363 HydrophobicContact CZ2-CD2 4.05Å; L261-L363 HydrophobicContact CB-CD2 4.14Å; L261-L363 HydrophobicContact CD1-CD2 4.37Å; L261-L363 HydrophobicContact CD2-CD2 3.92Å; L261-L363 HydrophobicContact CD2-CG 4.28Å; L261-L363 HydrophobicContact CG-CD2 4.38Å; R262-L363 HydrophobicContact CG-CD1 3.53Å; L363-Y365 HydrophobicContact CD2-CD2 4.14Å; L363-Y365 PolarHBondContact O-N 3.35Å; L363-I370 HydrophobicContact CD1-CD1 3.94Å
364D73.6Confident80.8Confident161 Ų16178.5 Ų78.586%0.86143%0.429SS*.SBendtrans-79.9-8.4173.9-49.5-48.9000111.8
365Y73.7Confident81.4Confident84 Ų8475.6 Ų75.633%0.32941%0.413SS..SBendtrans-107136-177.4-48.1-65.7000112.5I195 L363 K369I195-Y365 HydrophobicContact CD1-CD2 4.34Å; I195-Y365 HydrophobicContact CG1-CE2 4.42Å; I195-Y365 HydrophobicContact CG2-CE2 4.5Å; L363-Y365 HydrophobicContact CD2-CD2 4.14Å; L363-Y365 PolarHBondContact O-N 3.35Å; Y365-K369 HydrophobicContact CD1-CD 4.19Å
366V76.8Confident81.7Confident111 Ų11170.8 Ų70.867%0.67340%0.395SS*.  trans-72.7142.7168.6-173.20000109.4A368 K369 I370V366-A368 HydrophobicContact CG1-CB 4.48Å; V366-A368 PolarHBondContact O-N 2.81Å; V366-K369 PolarHBondContact O-N 3.37Å; V366-I370 PolarHBondContact O-N 3.1Å
367N76.8Confident81.7Confident55 Ų5569.5 Ų69.529%0.29439%0.385SS..Hα-helixtrans-52.7-25.4179.3-76.2-2000114.5Q371N367-Q371 WeakPolarHBondContact O-CG 3.27Å; N367-Q371 PolarHBondContact O-N 2.78Å
368A74.9Confident81Confident55 Ų5571.5 Ų71.546%0.45540%0.401SS..Hα-helixtrans-66.6-48.317300000111.7V366 I370 Q371V366-A368 HydrophobicContact CG1-CB 4.48Å; V366-A368 PolarHBondContact O-N 2.81Å; A368-I370 PolarHBondContact O-N 3.03Å; A368-Q371 WeakPolarHBondContact O-CB 3.49Å; A368-Q371 PolarHBondContact O-N 3.34Å
369K81.6Confident80.7Confident78 Ų7865.5 Ų65.534%0.33938%0.379SS..Hα-helixtrans-58.2-37.7175.8-179.1161.7-178.2164.80111.6D192 Y365 V366 Q371 D372 S373D192-K369 WeakPolarHBondContact O-CE 3.32Å; D192-K369 PolarHBondContact O-NZ 3.27Å; Y365-K369 HydrophobicContact CD1-CD 4.19Å; V366-K369 PolarHBondContact O-N 3.37Å; K369-Q371 VanDerWaalsContact C-N 3.26Å; K369-Q371 PolarHBondContact O-N 3.29Å; K369-D372 PolarHBondContact O-N 2.9Å; K369-S373 WeakPolarHBondContact O-CB 3.32Å; K369-S373 PolarHBondContact O-N 3.02Å; K369-S373 VanDerWaalsContact O-N 3.13Å; K369-S373 PolarHBondContact O-OG 2.75Å
370I82.3Confident80.3Confident0 Ų065.2 Ų65.20%037%0.373CS..Hα-helixtrans-62.3-30.5176.5-60176.8000112.4I195 W203 R262 L264 V291 H293 L363 V366 A368 F375I195-I370 HydrophobicContact CD1-CG1 4.28Å; W203-I370 HydrophobicContact CH2-CD1 3.97Å; W203-I370 HydrophobicContact CH2-CG1 4.23Å; W203-I370 HydrophobicContact CH2-CG2 4.33Å; W203-I370 HydrophobicContact CZ3-CD1 4.31Å; W203-I370 HydrophobicContact CZ3-CG2 3.97Å; R262-I370 HydrophobicContact CG-CD1 4.15Å; L264-I370 HydrophobicContact CD2-CG2 3.87Å; V291-I370 HydrophobicContact CB-CG2 4.33Å; V291-I370 HydrophobicContact CG1-CB 4.39Å; V291-I370 HydrophobicContact CG1-CG2 3.91Å; V291-I370 HydrophobicContact CG2-CG2 4.44Å; H293-I370 PolarHBondContact CD2-O 2.62Å; L363-I370 HydrophobicContact CD1-CD1 3.94Å; V366-I370 PolarHBondContact O-N 3.1Å; A368-I370 PolarHBondContact O-N 3.03Å; I370-F375 HydrophobicContact CG2-CZ 4.16Å
371Q80.8Confident80Confident74 Ų7467.1 Ų67.135%0.34638%0.382SS..Hα-helixtrans-72.9-31.6-179.2-71.8172.521.800112.8V291 Y292 H293 N367 A368 K369V291-Q371 HydrophobicContact CG1-CG 3.88Å; Y292-Q371 WeakPolarHBondContact O-CG 3.41Å; H293-Q371 PolarHBondContact CD2-O 3.22Å; N367-Q371 WeakPolarHBondContact O-CG 3.27Å; N367-Q371 PolarHBondContact O-N 2.78Å; A368-Q371 WeakPolarHBondContact O-CB 3.49Å; A368-Q371 PolarHBondContact O-N 3.34Å; K369-Q371 VanDerWaalsContact C-N 3.26Å; K369-Q371 PolarHBondContact O-N 3.29Å
372D80.4Confident79.6Confident124 Ų12467.5 Ų67.566%0.66339%0.392SS*.Hα-helixtrans-103.50.4-174.8-55.4-40.8000112.8K369K369-D372 PolarHBondContact O-N 2.9Å
373S83.4Confident79.5Confident1 Ų167.5 Ų67.51%0.00737%0.373CS..PPolyproline II helixtrans-89.6136.9-176.4-67.30000113.8N193 H293 K369 F375N193-S373 CarbonylContact O-C 3.54Å; N193-S373 WeakPolarHBondContact O-CA 3.39Å; N193-S373 WeakPolarHBondContact O-CB 3.25Å; H293-S373 PolarHBondContact NE2-O 3.42Å; K369-S373 WeakPolarHBondContact O-CB 3.32Å; K369-S373 PolarHBondContact O-N 3.02Å; K369-S373 VanDerWaalsContact O-N 3.13Å; K369-S373 PolarHBondContact O-OG 2.75Å; S373-F375 WeakPolarHBondContact O-CD2 3.26Å
374T83.7Confident79.6Confident65 Ų6569.3 Ų69.340%0.39938%0.383SS..EExtended strand (participates in β ladder)trans-76.9133.8167.8-59.20000110.1N193 V194 I195N193-T374 PolarHBondContact O-N 2.85Å; V194-T374 CarbonylContact C-O 3.46Å; V194-T374 WeakPolarHBondContact CA-O 3.4Å; I195-T374 PolarHBondContact N-O 2.87Å
375F86.3Confident80.1Confident13 Ų1362.7 Ų62.76%0.05735%0.349CS..EExtended strand (participates in β ladder)trans-97.8127.5178-77.5-97.5000111.5I195 V197 W203 L264 H293 V299 I370 S373I195-F375 HydrophobicContact CB-CD1 3.99Å; I195-F375 HydrophobicContact CB-CE1 3.79Å; I195-F375 HydrophobicContact CB-CZ 4.15Å; I195-F375 HydrophobicContact CD1-CE1 4.14Å; I195-F375 HydrophobicContact CD1-CE2 4.29Å; I195-F375 HydrophobicContact CD1-CZ 3.72Å; I195-F375 HydrophobicContact CG2-CD1 3.87Å; I195-F375 HydrophobicContact CG2-CE1 3.48Å; I195-F375 VanDerWaalsContact CG2-CE1 3.48Å; I195-F375 HydrophobicContact CG2-CZ 4.17Å; I195-F375 WeakPolarHBondContact O-CA 3.37Å; V197-F375 HydrophobicContact CG2-CD1 3.99Å; W203-F375 HydrophobicContact CD2-CD1 4.38Å; W203-F375 AromaticContact CD2-CE1 3.54Å; W203-F375 HydrophobicContact CD2-CE1 3.54Å; W203-F375 HydrophobicContact CD2-CZ 4.36Å; W203-F375 AromaticContact CE2-CE1 3.83Å; W203-F375 AromaticContact CE3-CE1 3.46Å; W203-F375 HydrophobicContact CE3-CE1 3.46Å; W203-F375 VanDerWaalsContact CE3-CE1 3.46Å; W203-F375 AromaticContact CE3-CZ 3.84Å; W203-F375 HydrophobicContact CE3-CZ 3.84Å; W203-F375 HydrophobicContact CG-CE1 4.1Å; W203-F375 AromaticContact CH2-CE1 3.99Å; W203-F375 HydrophobicContact CH2-CE1 3.99Å; W203-F375 HydrophobicContact CH2-CZ 4.06Å; W203-F375 HydrophobicContact CZ2-CE1 4.08Å; W203-F375 AromaticContact CZ3-CE1 3.68Å; W203-F375 HydrophobicContact CZ3-CE1 3.68Å; W203-F375 AromaticContact CZ3-CZ 3.65Å; W203-F375 HydrophobicContact CZ3-CZ 3.65Å; L264-F375 HydrophobicContact CD1-CD1 4.23Å; L264-F375 HydrophobicContact CD1-CD2 3.71Å; L264-F375 HydrophobicContact CD1-CE1 4Å; L264-F375 HydrophobicContact CD1-CE2 3.45Å; L264-F375 VanDerWaalsContact CD1-CE2 3.45Å; L264-F375 HydrophobicContact CD1-CG 4.09Å; L264-F375 HydrophobicContact CD1-CZ 3.6Å; L264-F375 HydrophobicContact CD2-CE2 4.31Å; L264-F375 HydrophobicContact CD2-CZ 4.04Å; L264-F375 HydrophobicContact CG-CZ 4.37Å; H293-F375 AromaticContact CE1-CD2 3.55Å; H293-F375 AromaticContact CE1-CE2 3.84Å; H293-F375 AromaticContact NE2-CD2 3.75Å; H293-F375 AromaticContact NE2-CE2 3.74Å; V299-F375 HydrophobicContact CB-CB 4.39Å; V299-F375 HydrophobicContact CG1-CB 3.79Å; V299-F375 HydrophobicContact CG2-CB 3.66Å; V299-F375 HydrophobicContact CG2-CG 4.39Å; I370-F375 HydrophobicContact CG2-CZ 4.16Å; S373-F375 WeakPolarHBondContact O-CD2 3.26Å
376V84.1Confident80.5Confident67 Ų6761.1 Ų61.141%0.40635%0.351SS..EExtended strand (participates in β ladder)trans-121132.21771780000108.7V194 I195 E196 V197V194-V376 HydrophobicContact CG1-CB 4.17Å; V194-V376 HydrophobicContact CG1-CG2 3.74Å; I195-V376 PolarHBondContact O-N 2.87Å; E196-V376 CarbonylContact C-O 3.6Å; E196-V376 WeakPolarHBondContact CA-O 3.49Å; V197-V376 PolarHBondContact N-O 3.17Å
377V83.9Confident80.9Confident42 Ų4256.9 Ų56.926%0.25532%0.324SS..EExtended strand (participates in β ladder)trans-95122.8175.9-173.30000108.2V197 F228 Y229 V299V197-V377 HydrophobicContact CB-CB 4.48Å; V197-V377 HydrophobicContact CB-CG1 4.48Å; V197-V377 HydrophobicContact CB-CG2 4.1Å; V197-V377 HydrophobicContact CG2-CG2 4.24Å; F228-V377 HydrophobicContact CB-CG2 4.17Å; F228-V377 WeakPolarHBondContact O-CG2 3.35Å; Y229-V377 HydrophobicContact CD2-CG1 4.01Å; V299-V377 HydrophobicContact CG1-CG2 3.95Å
378T72.2Confident81.2Confident109 Ų10957.1 Ų57.167%0.66933%0.327SS*.  trans-1070-17257.30000112E196 V197E196-T378 HydrophobicContact CB-CG2 3.9Å; E196-T378 HydrophobicContact CG-CG2 3.84Å; V197-T378 PolarHBondContact O-N 3.14Å; V197-T378 PolarHBondContact O-OG1 2.79Å

Retrieved 378 of 378 residues in 233.6 ms (Link to these results)

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