A0A087YNT6_POEFO Loading...

Nitric oxide synthase-interacting protein

Negatively regulates nitric oxide production by inducing nitric oxide synthase translocation to actin cytoskeleton and inhibiting its enzymatic activity.

AlphaFold DB , UniProt , Accession A0A087YNT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 306 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M44.1Very low53.4Low245 Ų245146 Ų146100%1.20781%0.807SS**  094.60-73.7176.1-170.300108.4R3M1-R3 PolarHBondContact O-N 3.06Å
2T43.2Very low54.2Low145 Ų145138.8 Ų138.889%0.8978%0.781SS**  trans-69.4123.217527.10000108.8H4T2-H4 PolarHBondContact O-N 2.92Å
3R50.3Low55.6Low250 Ų250138.8 Ų138.894%0.94379%0.786SS**  trans-56.7107.1-177.3-109.7174.6167.3-118.72.1109.8M1 G5M1-R3 PolarHBondContact O-N 3.06Å; R3-G5 PolarHBondContact O-N 3.25Å; R3-G5 VanDerWaalsContact O-N 3.16Å
4H57.8Low57Low179 Ų179138.1 Ų138.183%0.82977%0.766SS**  trans-67109164.5-128.2-70.8000107.2T2 K6T2-H4 PolarHBondContact O-N 2.92Å; H4-K6 PolarHBondContact O-N 3.29Å
5G61.7Low58.8Low49 Ų49134 Ų13451%0.50575%0.746SS.*  trans-59.9122.817500000110R3 N7R3-G5 PolarHBondContact O-N 3.25Å; R3-G5 VanDerWaalsContact O-N 3.16Å; G5-N7 PolarHBondContact O-N 3.25Å
6K56.8Low60Low209 Ų209135.6 Ų135.691%0.90974%0.739SS**THydrogen-bonded Turntrans-69.3-7.2-179.2-84.2179.2173.6179.60114.2H4H4-K6 PolarHBondContact O-N 3.29Å
7N54Low61.3Low145 Ų145136 Ų13678%0.77573%0.734SS**THydrogen-bonded Turntrans-126.656.2178.5-660000111.4G5 T9G5-N7 PolarHBondContact O-N 3.25Å; N7-T9 PolarHBondContact O-N 3.43Å
8C51.9Low62.5Low99 Ų99133.3 Ų133.367%0.66972%0.716SS**  trans-72.883.3163.3-102.90000109.1A10 G11C8-A10 PolarHBondContact O-N 3.04Å; C8-G11 PolarHBondContact O-N 2.79Å
9T53.5Low63.4Low143 Ų143131.5 Ų131.588%0.87770%0.701SS**  trans-72-4.2166.846.10000112.6N7 G11N7-T9 PolarHBondContact O-N 3.43Å; T9-G11 PolarHBondContact O-N 3.09Å
10A55.9Low64.2Low91 Ų91131.5 Ų131.575%0.75269%0.691SS**  trans-81.532.6163.300000112.1C8 A12C8-A10 PolarHBondContact O-N 3.04Å; A10-A12 PolarHBondContact O-N 3.05Å
11G58Low65.1Low51 Ų51132.6 Ų132.653%0.52669%0.69SS.*  trans-64.1126.416700000107.8C8 T9 V13C8-G11 PolarHBondContact O-N 2.79Å; T9-G11 PolarHBondContact O-N 3.09Å; G11-V13 PolarHBondContact O-N 3.33Å
12A63.1Low66.9Low60 Ų60124.1 Ų124.150%0.49665%0.649SS.*  trans-57.9118.4173.400000108.5A10 Y14A10-A12 PolarHBondContact O-N 3.05Å; A12-Y14 WeakPolarHBondContact CB-O 3.12Å; A12-Y14 CarbonylContact O-C 3.54Å; A12-Y14 PolarHBondContact O-N 3.41Å; A12-Y14 VanDerWaalsContact O-N 3.13Å
13V72Confident68.6Low138 Ų138119.6 Ų119.684%0.83662%0.621SS**SBendtrans-50.3-37.6175.6176.90000110.2G11G11-V13 PolarHBondContact O-N 3.33Å
14Y75.8Confident70Confident129 Ų129110.7 Ų110.751%0.50660%0.602SS.*SBendtrans-85.8126.2172.1-64.6-78.3000112.1A12 E18 K19A12-Y14 WeakPolarHBondContact CB-O 3.12Å; A12-Y14 CarbonylContact O-C 3.54Å; A12-Y14 PolarHBondContact O-N 3.41Å; A12-Y14 VanDerWaalsContact O-N 3.13Å; Y14-E18 WeakPolarHBondContact CA-OE2 3.18Å; Y14-E18 HydrophobicContact CD1-CB 3.83Å; Y14-K19 WeakPolarHBondContact O-CE 3.4Å
15T83.7Confident71.2Confident77 Ų77106.3 Ų106.347%0.47260%0.596SS.*  trans-60.6159.2164.565.10000110.8H17 E18 K19T15-H17 PolarHBondContact O-N 3.43Å; T15-H17 VanDerWaalsContact O-N 3.17Å; T15-E18 WeakPolarHBondContact CB-OE2 3.41Å; T15-E18 WeakPolarHBondContact CG2-OE2 3.48Å; T15-E18 PolarHBondContact N-OE2 2.67Å; T15-E18 PolarHBondContact O-N 3.02Å; T15-E18 VanDerWaalsContact OG1-CG 3.27Å; T15-E18 WeakPolarHBondContact OG1-CG 3.39Å; T15-E18 PolarHBondContact OG1-N 3.3Å; T15-E18 PolarHBondContact OG1-OE2 2.99Å; T15-K19 WeakPolarHBondContact O-CG 3.4Å; T15-K19 PolarHBondContact O-N 3.24Å
16Y78.9Confident72.1Confident160 Ų160107.5 Ų107.563%0.62760%0.597SS**Hα-helixtrans-54.8-34.7175.6176.3-104.2000112.9R20Y16-R20 VanDerWaalsContact CE1-CD 3.49Å; Y16-R20 HydrophobicContact CE1-CG 4.32Å; Y16-R20 HydrophobicContact CE2-CG 4.42Å; Y16-R20 WeakPolarHBondContact O-CG 3.37Å; Y16-R20 PolarHBondContact O-N 2.97Å; Y16-R20 VanDerWaalsContact O-N 3.1Å
17H81.2Confident73.2Confident142 Ų14298.3 Ų98.366%0.65756%0.562SS**Hα-helixtrans-72.9-40.5-180-78.456.7000112.1T15 R20 K21T15-H17 PolarHBondContact O-N 3.43Å; T15-H17 VanDerWaalsContact O-N 3.17Å; H17-R20 PolarHBondContact O-N 2.96Å; H17-K21 WeakPolarHBondContact O-CB 3.41Å; H17-K21 PolarHBondContact O-N 2.99Å
18E83.4Confident74.5Confident87 Ų8797 Ų9741%0.40755%0.547SS..Hα-helixtrans-64.9-45.4175.2-68.3159.6155.300110.9Y14 T15 R20 K21 D22Y14-E18 WeakPolarHBondContact CA-OE2 3.18Å; Y14-E18 HydrophobicContact CD1-CB 3.83Å; T15-E18 WeakPolarHBondContact CB-OE2 3.41Å; T15-E18 WeakPolarHBondContact CG2-OE2 3.48Å; T15-E18 PolarHBondContact N-OE2 2.67Å; T15-E18 PolarHBondContact O-N 3.02Å; T15-E18 VanDerWaalsContact OG1-CG 3.27Å; T15-E18 WeakPolarHBondContact OG1-CG 3.39Å; T15-E18 PolarHBondContact OG1-N 3.3Å; T15-E18 PolarHBondContact OG1-OE2 2.99Å; E18-R20 VanDerWaalsContact C-N 3.28Å; E18-R20 PolarHBondContact O-N 3.34Å; E18-K21 WeakPolarHBondContact O-CB 3.45Å; E18-K21 PolarHBondContact O-N 3.49Å; E18-D22 PolarHBondContact O-N 3.26Å
19K80.1Confident75.9Confident99 Ų9992.9 Ų92.943%0.4352%0.521SS..Hα-helixtrans-56.3-42.1174.2-68-176-178.7-175.50112.4Y14 T15 T23Y14-K19 WeakPolarHBondContact O-CE 3.4Å; T15-K19 WeakPolarHBondContact O-CG 3.4Å; T15-K19 PolarHBondContact O-N 3.24Å; K19-T23 VanDerWaalsContact O-CB 3.23Å; K19-T23 WeakPolarHBondContact O-CB 3.49Å; K19-T23 PolarHBondContact O-N 2.85Å; K19-T23 PolarHBondContact O-OG1 2.94Å
20R79.6Confident77.3Confident132 Ų13290.9 Ų90.950%0.49851%0.509SS..Hα-helixtrans-66.9-39.1176.2-80-171.974.5-173.26.1112.4Y16 H17 E18 A24Y16-R20 VanDerWaalsContact CE1-CD 3.49Å; Y16-R20 HydrophobicContact CE1-CG 4.32Å; Y16-R20 HydrophobicContact CE2-CG 4.42Å; Y16-R20 WeakPolarHBondContact O-CG 3.37Å; Y16-R20 PolarHBondContact O-N 2.97Å; Y16-R20 VanDerWaalsContact O-N 3.1Å; H17-R20 PolarHBondContact O-N 2.96Å; E18-R20 VanDerWaalsContact C-N 3.28Å; E18-R20 PolarHBondContact O-N 3.34Å; R20-A24 VanDerWaalsContact O-CB 3.31Å; R20-A24 WeakPolarHBondContact O-CB 3.45Å; R20-A24 PolarHBondContact O-N 2.84Å
21K82.7Confident78.6Confident155 Ų15588.3 Ų88.367%0.67448%0.481SS*.Hα-helixtrans-65.9-44.2177.7-169.7-179178.3-174.30110.9H17 E18 A24 A25H17-K21 WeakPolarHBondContact O-CB 3.41Å; H17-K21 PolarHBondContact O-N 2.99Å; E18-K21 WeakPolarHBondContact O-CB 3.45Å; E18-K21 PolarHBondContact O-N 3.49Å; K21-A24 PolarHBondContact O-N 3.35Å; K21-A25 WeakPolarHBondContact O-CB 3.38Å; K21-A25 PolarHBondContact O-N 2.98Å
22D81.1Confident79.9Confident66 Ų6688.7 Ų88.735%0.35348%0.476SS..Hα-helixtrans-67.2-43.7177.1-67-12.8000111E18 A24 A25 S26E18-D22 PolarHBondContact O-N 3.26Å; D22-A24 VanDerWaalsContact C-N 3.27Å; D22-A24 PolarHBondContact O-N 3.39Å; D22-A25 PolarHBondContact O-N 2.94Å; D22-S26 WeakPolarHBondContact O-CB 3.35Å; D22-S26 PolarHBondContact O-N 3.18Å; D22-S26 PolarHBondContact O-OG 3.37Å
23T79.2Confident80.9Confident50 Ų5090 Ų9031%0.30748%0.477SS..Hα-helixtrans-56.6-41.5172.6-59.90000111.6K19 G27 Y28 Q31K19-T23 VanDerWaalsContact O-CB 3.23Å; K19-T23 WeakPolarHBondContact O-CB 3.49Å; K19-T23 PolarHBondContact O-N 2.85Å; K19-T23 PolarHBondContact O-OG1 2.94Å; T23-G27 PolarHBondContact O-N 2.88Å; T23-Y28 VanDerWaalsContact CG2-O 3.27Å; T23-Y28 WeakPolarHBondContact CG2-O 3.5Å; T23-Q31 HydrophobicContact CG2-CG 4.3Å; T23-Q31 PolarHBondContact O-NE2 3.49Å
24A79.9Confident81.4Confident64 Ų6492.4 Ų92.453%0.52947%0.471SS..Hα-helixtrans-69.2-44178.300000112.3R20 K21 D22 Q31R20-A24 VanDerWaalsContact O-CB 3.31Å; R20-A24 WeakPolarHBondContact O-CB 3.45Å; R20-A24 PolarHBondContact O-N 2.84Å; K21-A24 PolarHBondContact O-N 3.35Å; D22-A24 VanDerWaalsContact C-N 3.27Å; D22-A24 PolarHBondContact O-N 3.39Å; A24-Q31 PolarHBondContact O-NE2 3.27Å
25A83.4Confident81.8Confident86 Ų8688.1 Ų88.171%0.71146%0.457SS*.Hα-helixtrans-75.6-43.7-177.600000113K21 D22 G27K21-A25 WeakPolarHBondContact O-CB 3.38Å; K21-A25 PolarHBondContact O-N 2.98Å; D22-A25 PolarHBondContact O-N 2.94Å; A25-G27 VanDerWaalsContact C-N 3.33Å
26S80.8Confident81.7Confident74 Ų7486.6 Ų86.652%0.51746%0.457SS..Hα-helixtrans-78-18.1-177.7-53.80000112.9D22 Y28D22-S26 WeakPolarHBondContact O-CB 3.35Å; D22-S26 PolarHBondContact O-N 3.18Å; D22-S26 PolarHBondContact O-OG 3.37Å; S26-Y28 WeakPolarHBondContact O-CD2 3.5Å; S26-Y28 PolarHBondContact O-N 3.36Å
27G79.9Confident81.7Confident17 Ų1784.7 Ų84.718%0.17545%0.451CS..  trans72.45.8178.500000114.9T23 A25 R301T23-G27 PolarHBondContact O-N 2.88Å; A25-G27 VanDerWaalsContact C-N 3.33Å; G27-R301 WeakPolarHBondContact O-CD 3.48Å
28Y80.5Confident81.8Confident117 Ų11785.6 Ų85.646%0.45946%0.461SS..  trans-95.1148.6175.8-69.2-82.9000110.7T23 S26 P302 M304T23-Y28 VanDerWaalsContact CG2-O 3.27Å; T23-Y28 WeakPolarHBondContact CG2-O 3.5Å; S26-Y28 WeakPolarHBondContact O-CD2 3.5Å; S26-Y28 PolarHBondContact O-N 3.36Å; Y28-P302 WeakPolarHBondContact CD1-O 3.48Å; Y28-M304 HydrophobicContact CD1-CG 3.95Å; Y28-M304 HydrophobicContact CE1-CG 4.17Å; Y28-M304 HydrophobicContact CG-CG 4.28Å
29G81.1Confident81.7Confident13 Ų1383.5 Ų83.513%0.13446%0.459CS..SBendtrans85.7164.3-178.500000114.4Q31 P302G29-Q31 PolarHBondContact O-N 3.05Å; G29-P302 PolarHBondContact N-O 2.78Å; G29-P302 VanDerWaalsContact N-O 3.08Å
30T83.3Confident81.8Confident100 Ų10080 Ų8061%0.61344%0.444SS*.  trans-68.1112.818047.10000110.8E299 A300T30-E299 WeakPolarHBondContact CA-O 3.27Å; T30-A300 HydrophobicContact CG2-CB 4.35Å
31Q83.4Confident82.1Confident38 Ų3875.4 Ų75.418%0.17843%0.428CS..EExtended strand (participates in β ladder)trans-89.4140174.6-63.9-169.20.300109.9T23 A24 G29 K298 E299T23-Q31 HydrophobicContact CG2-CG 4.3Å; T23-Q31 PolarHBondContact O-NE2 3.49Å; A24-Q31 PolarHBondContact O-NE2 3.27Å; G29-Q31 PolarHBondContact O-N 3.05Å; Q31-K298 WeakPolarHBondContact O-CA 3.44Å; Q31-E299 PolarHBondContact N-O 3.06Å; Q31-E299 PolarHBondContact O-N 2.82Å
32S84.1Confident82.3Confident58 Ų5870.1 Ų70.141%0.40641%0.407SS..EExtended strand (participates in β ladder)trans-130.8128.9174.163.30000111A297S32-A297 VanDerWaalsContact CA-O 3.26Å; S32-A297 WeakPolarHBondContact CA-O 3.5Å
33V84.4Confident82.6Confident87 Ų8768.5 Ų68.553%0.52740%0.397SS..EExtended strand (participates in β ladder)trans-128.8136.2-179.41780000108.7R296 A297V33-R296 CarbonylContact O-C 3.54Å; V33-R296 WeakPolarHBondContact O-CA 3.46Å; V33-A297 PolarHBondContact N-O 2.83Å; V33-A297 PolarHBondContact O-N 3.28Å
34R83.6Confident83.1Confident190 Ų19066.2 Ų66.272%0.71738%0.383SS*.EExtended strand (participates in β ladder)trans-80.4120.5171-174.7179-178.6173.50.7108.4L295R34-L295 CarbonylContact C-O 3.53Å; R34-L295 WeakPolarHBondContact CA-O 3.49Å; R34-L295 HydrophobicContact CG-CB 4.34Å
35L83.6Confident83.6Confident39 Ų3963.5 Ų63.520%0.20436%0.36CS..  trans-76138.2176.4-62.5-170.8000110.5A39 T286 A289 L295 A297L35-A39 HydrophobicContact CB-CB 3.9Å; L35-A39 HydrophobicContact CD1-CB 4.12Å; L35-A39 HydrophobicContact CD2-CB 4.32Å; L35-A39 HydrophobicContact CG-CB 4.34Å; L35-T286 HydrophobicContact CD1-CG2 3.96Å; L35-A289 HydrophobicContact CD1-CB 3.7Å; L35-A289 HydrophobicContact CG-CB 4.28Å; L35-L295 PolarHBondContact N-O 3.04Å; L35-A297 HydrophobicContact CD1-CB 4.21Å; L35-A297 HydrophobicContact CD2-CB 4.17Å; L35-A297 HydrophobicContact CG-CB 4.08Å
36G82.2Confident84Confident45 Ų4559.4 Ų59.446%0.46433%0.326SS..  trans-81.3179.9173.900000112.7D38 A39G36-D38 PolarHBondContact O-N 2.83Å; G36-A39 PolarHBondContact O-N 3.41Å
37K79.4Confident84.5Confident119 Ų11956.8 Ų56.852%0.51731%0.308SS..G310 helixtrans-56.4-40.7176.7-177.1-171.9169.8-163.50111.4A39 I40K37-A39 PolarHBondContact O-N 3.38Å; K37-A39 VanDerWaalsContact O-N 3.16Å; K37-I40 WeakPolarHBondContact O-CB 3.33Å; K37-I40 PolarHBondContact O-N 2.81Å
38D81.8Confident85Confident161 Ų16159.2 Ų59.286%0.86132%0.316SS*.G310 helixtrans-66.9-19.5-173.8-47.9-35.2000113.6G36 I40G36-D38 PolarHBondContact O-N 2.83Å; D38-I40 VanDerWaalsContact C-N 3.29Å
39A82.3Confident85.5Confident43 Ų4355.6 Ų55.636%0.35531%0.308SS..G310 helixtrans-84.7-5.3175.300000112.8L35 G36 K37 T286L35-A39 HydrophobicContact CB-CB 3.9Å; L35-A39 HydrophobicContact CD1-CB 4.12Å; L35-A39 HydrophobicContact CD2-CB 4.32Å; L35-A39 HydrophobicContact CG-CB 4.34Å; G36-A39 PolarHBondContact O-N 3.41Å; K37-A39 PolarHBondContact O-N 3.38Å; K37-A39 VanDerWaalsContact O-N 3.16Å; A39-T286 WeakPolarHBondContact O-CG2 3.23Å
40I81.8Confident85.8Confident25 Ų2560.5 Ų60.513%0.12833%0.331CS..SBendtrans-107.9126-177.3-56.9173000108.1K37 D38 D42 G284 L295K37-I40 WeakPolarHBondContact O-CB 3.33Å; K37-I40 PolarHBondContact O-N 2.81Å; D38-I40 VanDerWaalsContact C-N 3.29Å; I40-D42 PolarHBondContact O-N 3.3Å; I40-G284 WeakPolarHBondContact CG2-O 3.18Å; I40-L295 HydrophobicContact CD1-CD2 3.62Å
41K86.5Confident86.1Confident37 Ų3761.7 Ų61.716%0.16133%0.329CS..  trans-58134.7173.4-172.9-167.370.872.40110.8C45 L50K41-C45 HydrophobicContact CD-CB 4.21Å; K41-C45 HydrophobicContact CG-CB 3.74Å; K41-C45 PolarHBondContact NZ-O 3.01Å; K41-L50 HydrophobicContact CB-CD2 4.5Å; K41-L50 HydrophobicContact CD-CD2 4.01Å; K41-L50 HydrophobicContact CG-CD2 4.09Å
42D86.6Confident86.5Confident43 Ų4362.9 Ų62.923%0.2334%0.34CS..  trans-64.7155.4171.7-69.1-33.9000113.1I40 D44 C45 N237I40-D42 PolarHBondContact O-N 3.3Å; D42-D44 PolarHBondContact O-N 3.46Å; D42-C45 PolarHBondContact O-N 2.71Å; D42-N237 WeakPolarHBondContact CA-OD1 3.26Å; D42-N237 PolarHBondContact OD1-ND2 3.41Å
43F87.7Confident86.8Confident33 Ų3360.5 Ų60.515%0.14532%0.324CS..THydrogen-bonded Turntrans-65.2-28.6-172.976.6-83.6000112.8L64 F207 Y226 L235 N237F43-L64 WeakPolarHBondContact O-CD2 3.26Å; F43-F207 HydrophobicContact CD2-CE1 4.1Å; F43-F207 HydrophobicContact CE2-CD1 4.32Å; F43-F207 AromaticContact CE2-CE1 3.83Å; F43-F207 HydrophobicContact CE2-CE1 3.83Å; F43-Y226 HydrophobicContact CE2-CD2 4.09Å; F43-Y226 AromaticContact CZ-CD2 3.86Å; F43-Y226 HydrophobicContact CZ-CD2 3.86Å; F43-L235 HydrophobicContact CD2-CB 4.48Å; F43-L235 HydrophobicContact CE1-CB 4.48Å; F43-L235 VanDerWaalsContact CE1-O 3.28Å; F43-L235 WeakPolarHBondContact CE1-O 3.3Å; F43-L235 HydrophobicContact CE2-CB 3.67Å; F43-L235 HydrophobicContact CE2-CD1 4.37Å; F43-L235 HydrophobicContact CZ-CB 3.66Å; F43-L235 WeakPolarHBondContact CZ-O 3.42Å; F43-N237 WeakPolarHBondContact CB-OD1 3.35Å; F43-N237 WeakPolarHBondContact CD1-OD1 3.39Å; F43-N237 PolarHBondContact N-OD1 3.14Å
44D89.3Confident87.1Confident2 Ų264.3 Ų64.31%0.01134%0.335CS..THydrogen-bonded Turntrans-98.12.6-178.965.6-31.7000113.6D42 C53 F207 R225 Y226D42-D44 PolarHBondContact O-N 3.46Å; D44-C53 PolarHBondContact O-N 3.31Å; D44-F207 HydrophobicContact CB-CZ 4.4Å; D44-R225 IonicContact OD1-CZ 3.99Å; D44-R225 IonicContact OD1-NH2 2.73Å; D44-R225 PolarHBondContact OD1-NH2 3.3Å; D44-R225 IonicContact OD2-CZ 3.07Å; D44-R225 IonicContact OD2-NE 2.75Å; D44-R225 PolarHBondContact OD2-NE 2.97Å; D44-R225 IonicContact OD2-NH2 3.82Å; D44-R225 PolarHBondContact OD2-NH2 3.3Å; D44-Y226 HydrophobicContact CB-CD2 4.06Å; D44-Y226 HydrophobicContact CB-CE2 3.74Å; D44-Y226 WeakPolarHBondContact OD2-CE2 3.44Å
45C90.3Very high87.6Confident7 Ų759.7 Ų59.75%0.04733%0.325CS..BIsolated β-bridgetrans-88.4148.1176.5-69.40000113K41 D42 Q51K41-C45 HydrophobicContact CD-CB 4.21Å; K41-C45 HydrophobicContact CG-CB 3.74Å; K41-C45 PolarHBondContact NZ-O 3.01Å; D42-C45 PolarHBondContact O-N 2.71Å; C45-Q51 CarbonylContact C-O 3.57Å; C45-Q51 WeakPolarHBondContact CA-O 3.41Å
46C92.1Very high88.1Confident0 Ų058.4 Ų58.40%032%0.319CS..  trans-68.1138.1175.3178.20000111.7L48 S49 L50 Q51 C53 E66C46-L48 PolarHBondContact O-N 3.05Å; C46-L48 PolarHBondContact SG-N 2.97Å; C46-S49 WeakPolarHBondContact CB-OG 3.33Å; C46-S49 PolarHBondContact SG-N 3.1Å; C46-S49 PolarHBondContact SG-OG 3.08Å; C46-L50 WeakPolarHBondContact O-CA 3.37Å; C46-L50 PolarHBondContact O-N 3.09Å; C46-Q51 PolarHBondContact N-O 2.88Å; C46-C53 VanDerWaalsContact CA-SG 3.58Å; C46-C53 PolarHBondContact N-SG 2.82Å; C46-C53 VanDerWaalsContact N-SG 3.36Å; C46-E66 HydrophobicContact CB-CB 4.16Å; C46-E66 PolarHBondContact SG-N 3.49Å
47C90.6Very high88.7Confident19 Ų1956.7 Ų56.713%0.12830%0.3CS..THydrogen-bonded Turntrans-68-16.1174.5-750000114.4L64 Y65 M192C47-L64 WeakPolarHBondContact CB-O 3.42Å; C47-L64 PolarHBondContact N-O 3.2Å; C47-L64 PolarHBondContact SG-O 3.34Å; C47-L64 VanDerWaalsContact SG-O 3.42Å; C47-Y65 HydrophobicContact CB-CD1 3.87Å; C47-Y65 HydrophobicContact CB-CE1 3.4Å; C47-Y65 VanDerWaalsContact CB-CE1 3.4Å; C47-M192 HydrophobicContact CB-CG 3.99Å; C47-M192 HydrophobicContact CB-SD 4.49Å
48L91.2Very high89.5Confident67 Ų6751 Ų5135%0.35128%0.275SS..THydrogen-bonded Turntrans-97.7-54.1177.4-70.1173.5000112.2C46 Y65 A69 I70 P191C46-L48 PolarHBondContact O-N 3.05Å; C46-L48 PolarHBondContact SG-N 2.97Å; L48-Y65 HydrophobicContact CB-CD1 4.47Å; L48-Y65 HydrophobicContact CD1-CD1 3.93Å; L48-Y65 HydrophobicContact CD1-CE1 4.21Å; L48-Y65 HydrophobicContact CD2-CE1 4.44Å; L48-Y65 HydrophobicContact CG-CD1 3.74Å; L48-Y65 HydrophobicContact CG-CE1 3.77Å; L48-A69 HydrophobicContact CB-CB 4.4Å; L48-A69 HydrophobicContact CD1-CB 4.26Å; L48-I70 HydrophobicContact CD1-CD1 4.31Å; L48-P191 HydrophobicContact CD2-CB 4.09Å; L48-P191 HydrophobicContact CD2-CG 3.86Å; L48-P191 HydrophobicContact CG-CG 4.44Å
49S89.7Confident90.1Very high41 Ų4143.4 Ų43.429%0.28723%0.234SC..THydrogen-bonded Turntrans-84.5-15.8-17754.80000113.5C46 Q51C46-S49 WeakPolarHBondContact CB-OG 3.33Å; C46-S49 PolarHBondContact SG-N 3.1Å; C46-S49 PolarHBondContact SG-OG 3.08Å; S49-Q51 PolarHBondContact O-N 3.27Å
50L89.1Confident90.6Very high117 Ų11744.3 Ų44.361%0.61324%0.236SC*.  trans5712.7-173.5-55.9176.6000114.2K41 C46K41-L50 HydrophobicContact CB-CD2 4.5Å; K41-L50 HydrophobicContact CD-CD2 4.01Å; K41-L50 HydrophobicContact CG-CD2 4.09Å; C46-L50 WeakPolarHBondContact O-CA 3.37Å; C46-L50 PolarHBondContact O-N 3.09Å
51Q89.7Confident91.1Very high124 Ų12444.5 Ų44.558%0.57924%0.238SC*.SBendtrans-99.1154.1176.6-70178.7-20.800110.6C45 C46 S49 C53C45-Q51 CarbonylContact C-O 3.57Å; C45-Q51 WeakPolarHBondContact CA-O 3.41Å; C46-Q51 PolarHBondContact N-O 2.88Å; S49-Q51 PolarHBondContact O-N 3.27Å; Q51-C53 PolarHBondContact O-N 3.03Å
52P90.3Very high91.4Very high64 Ų6442.8 Ų42.842%0.41623%0.23SC..BIsolated β-bridgetrans-54.5129.2172.6-24.634.4000111.1
53C90.8Very high91.7Very high8 Ų843 Ų435%0.05423%0.228CC..PPolyproline II helixtrans-72.3134-178.3-69.30000111.6D44 C46 Q51 P56D44-C53 PolarHBondContact O-N 3.31Å; C46-C53 VanDerWaalsContact CA-SG 3.58Å; C46-C53 PolarHBondContact N-SG 2.82Å; C46-C53 VanDerWaalsContact N-SG 3.36Å; Q51-C53 PolarHBondContact O-N 3.03Å; C53-P56 HydrophobicContact CB-CB 3.7Å; C53-P56 HydrophobicContact CB-CG 4.27Å
54Q90Very high92Very high166 Ų16641.8 Ų41.878%0.77622%0.223SC*.SBendtrans-85.9-53.7166.6-63.7-176.28.700111.1P56Q54-P56 VanDerWaalsContact C-CD 3.42Å; Q54-P56 WeakPolarHBondContact O-CD 3.24Å
55D93.8Very high92.3Very high94 Ų9441.7 Ų41.750%0.50322%0.223SC..SBendtrans-110.780.9174.5-77.1-19.8000110.1K67D55-K67 HydrophobicContact CB-CB 4.08Å; D55-K67 WeakPolarHBondContact O-CB 3.42Å; D55-K67 PolarHBondContact O-N 3.27Å
56P94.7Very high92.5Very high12 Ų1242.7 Ų42.78%0.07823%0.227CC..EExtended strand (participates in β ladder)trans-73.3137.6-177.224.3-27.9000112.2C53 Q54 L64 Y65 V205 F207C53-P56 HydrophobicContact CB-CB 3.7Å; C53-P56 HydrophobicContact CB-CG 4.27Å; Q54-P56 VanDerWaalsContact C-CD 3.42Å; Q54-P56 WeakPolarHBondContact O-CD 3.24Å; P56-L64 HydrophobicContact CB-CD1 3.57Å; P56-L64 HydrophobicContact CB-CG 4.42Å; P56-Y65 CarbonylContact C-O 3.42Å; P56-Y65 WeakPolarHBondContact CA-O 3.33Å; P56-V205 HydrophobicContact CB-CB 4.07Å; P56-V205 HydrophobicContact CG-CB 4.05Å; P56-V205 WeakPolarHBondContact CG-O 3.47Å; P56-V205 PolarHBondContact O-N 2.97Å; P56-F207 HydrophobicContact CB-CE2 3.95Å; P56-F207 HydrophobicContact CG-CD2 3.77Å; P56-F207 HydrophobicContact CG-CE2 3.71Å
57V95.8Very high92.6Very high9 Ų947.7 Ų47.76%0.05525%0.249CC..EExtended strand (participates in β ladder)trans-129.9143170.2-65.30000109.5Y65 K67 I70 L202 I203V57-Y65 WeakPolarHBondContact CG2-O 3.35Å; V57-Y65 PolarHBondContact N-O 2.76Å; V57-Y65 PolarHBondContact O-N 2.73Å; V57-Y65 VanDerWaalsContact O-O 3.12Å; V57-K67 HydrophobicContact CG1-CB 3.92Å; V57-K67 HydrophobicContact CG1-CD 4.42Å; V57-K67 HydrophobicContact CG1-CG 4.09Å; V57-K67 HydrophobicContact CG2-CB 4.38Å; V57-I70 HydrophobicContact CG2-CG2 3.69Å; V57-L202 HydrophobicContact CB-CB 4.43Å; V57-L202 HydrophobicContact CG2-CD2 4.38Å; V57-I203 CarbonylContact C-O 3.59Å; V57-I203 VanDerWaalsContact CA-O 3.29Å; V57-I203 WeakPolarHBondContact CA-O 3.47Å
58V95.3Very high92.8Very high0 Ų052.5 Ų52.50%027%0.269CS..EExtended strand (participates in β ladder)trans-117.8141.7-177.9164.10000110.6Y63 L64 I203 V205 V243 I279 L281V58-Y63 WeakPolarHBondContact CA-O 3.49Å; V58-L64 HydrophobicContact CG2-CB 4.28Å; V58-L64 HydrophobicContact CG2-CD1 3.43Å; V58-L64 VanDerWaalsContact CG2-CD1 3.43Å; V58-L64 HydrophobicContact CG2-CG 4.48Å; V58-I203 PolarHBondContact N-O 3.21Å; V58-I203 PolarHBondContact O-N 3.23Å; V58-V205 HydrophobicContact CB-CG2 3.79Å; V58-V205 HydrophobicContact CG2-CG2 3.38Å; V58-V243 HydrophobicContact CG2-CG2 4.47Å; V58-I279 HydrophobicContact CG1-CG2 3.89Å; V58-L281 HydrophobicContact CG1-CD2 4.01Å; V58-L281 HydrophobicContact CG2-CD2 3.68Å
59T94.6Very high93Very high1 Ų150.2 Ų50.21%0.00626%0.26CS..  trans-81.2159.8171.663.30000110.9D61 G62 Y63 Y65 I197 L202T59-D61 PolarHBondContact O-N 3.44Å; T59-G62 PolarHBondContact O-N 2.7Å; T59-Y63 PolarHBondContact N-O 2.74Å; T59-Y63 PolarHBondContact OG1-N 3.11Å; T59-Y65 HydrophobicContact CG2-CD2 3.77Å; T59-Y65 HydrophobicContact CG2-CE2 3.46Å; T59-Y65 VanDerWaalsContact CG2-CE2 3.46Å; T59-I197 HydrophobicContact CG2-CD1 3.4Å; T59-I197 VanDerWaalsContact CG2-CD1 3.4Å; T59-L202 HydrophobicContact CG2-CD2 4.07Å
60P92.9Very high93.2Very high61 Ų6148.3 Ų48.340%0.39625%0.247SC..THydrogen-bonded Turntrans-57.3-20.6175.5-24.635000114.2G62 D201P60-G62 VanDerWaalsContact C-N 3.34Å; P60-D201 WeakPolarHBondContact CD-O 3.43Å; P60-D201 HydrophobicContact CG-CB 4.1Å
61D91.8Very high93.5Very high29 Ų2944.8 Ų44.816%0.15523%0.228CC..THydrogen-bonded Turntrans-84.1-7.9177.5-60.6-37000113.4T59 Y63 S193 R195 Q282T59-D61 PolarHBondContact O-N 3.44Å; D61-Y63 HydrophobicContact CB-CD2 3.84Å; D61-Y63 HydrophobicContact CB-CE2 3.95Å; D61-S193 WeakPolarHBondContact OD2-CB 3.33Å; D61-S193 PolarHBondContact OD2-OG 3.33Å; D61-R195 WeakPolarHBondContact OD1-CD 3.43Å; D61-R195 IonicContact OD1-CZ 2.79Å; D61-R195 IonicContact OD1-NE 2.92Å; D61-R195 IonicContact OD1-NH1 3.57Å; D61-R195 PolarHBondContact OD1-NH1 3.02Å; D61-R195 WeakPolarHBondContact OD2-CD 3.29Å; D61-Q282 VanDerWaalsContact O-CG 3.29Å; D61-Q282 WeakPolarHBondContact O-CG 3.32Å; D61-Q282 PolarHBondContact O-NE2 2.75Å
62G92.4Very high93.7Very high1 Ų145.1 Ų45.11%0.0123%0.23CC..  trans93.214.8177.700000115.8T59 P60 P280 Q282T59-G62 PolarHBondContact O-N 2.7Å; P60-G62 VanDerWaalsContact C-N 3.34Å; G62-P280 WeakPolarHBondContact CA-O 3.33Å; G62-Q282 PolarHBondContact O-N 2.92Å
63Y93.6Very high94Very high48 Ų4845 Ų4519%0.18822%0.222CC..  trans-87.3129.7175.4-65-81.9000111.1V58 T59 D61 M192 Q282V58-Y63 WeakPolarHBondContact CA-O 3.49Å; T59-Y63 PolarHBondContact N-O 2.74Å; T59-Y63 PolarHBondContact OG1-N 3.11Å; D61-Y63 HydrophobicContact CB-CD2 3.84Å; D61-Y63 HydrophobicContact CB-CE2 3.95Å; Y63-M192 HydrophobicContact CD1-CB 3.57Å; Y63-M192 HydrophobicContact CD1-CE 4.48Å; Y63-M192 HydrophobicContact CD1-CG 3.9Å; Y63-M192 HydrophobicContact CD2-CB 4.16Å; Y63-M192 HydrophobicContact CE1-CB 3.54Å; Y63-M192 HydrophobicContact CE1-CE 4.19Å; Y63-M192 HydrophobicContact CE1-CG 4.18Å; Y63-M192 HydrophobicContact CE2-CB 4.16Å; Y63-M192 HydrophobicContact CG-CB 3.88Å; Y63-M192 HydrophobicContact CG-CG 4.38Å; Y63-Q282 HydrophobicContact CD1-CB 4.01Å; Y63-Q282 HydrophobicContact CD1-CG 4.14Å; Y63-Q282 HydrophobicContact CD2-CG 4.22Å; Y63-Q282 HydrophobicContact CE1-CB 3.91Å; Y63-Q282 HydrophobicContact CE1-CG 3.91Å; Y63-Q282 HydrophobicContact CE2-CG 3.97Å; Y63-Q282 HydrophobicContact CG-CG 4.3Å
64L93.9Very high94.2Very high7 Ų745 Ų454%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-87.2129.5179.4-171.969.4000111F43 C47 P56 V58 V205 F207F43-L64 WeakPolarHBondContact O-CD2 3.26Å; C47-L64 WeakPolarHBondContact CB-O 3.42Å; C47-L64 PolarHBondContact N-O 3.2Å; C47-L64 PolarHBondContact SG-O 3.34Å; C47-L64 VanDerWaalsContact SG-O 3.42Å; P56-L64 HydrophobicContact CB-CD1 3.57Å; P56-L64 HydrophobicContact CB-CG 4.42Å; V58-L64 HydrophobicContact CG2-CB 4.28Å; V58-L64 HydrophobicContact CG2-CD1 3.43Å; V58-L64 VanDerWaalsContact CG2-CD1 3.43Å; V58-L64 HydrophobicContact CG2-CG 4.48Å; L64-V205 HydrophobicContact CD1-CG2 4.42Å; L64-F207 HydrophobicContact CD1-CE2 4.5Å; L64-F207 HydrophobicContact CD2-CE2 4.4Å; L64-F207 HydrophobicContact CD2-CZ 4.19Å
65Y95.3Very high94.4Very high0 Ų042.4 Ų42.40%021%0.212CC..EExtended strand (participates in β ladder)trans-131.6156.7174.3-61-77.7000110.6C47 L48 P56 V57 T59 I70 C190 P191 M192C47-Y65 HydrophobicContact CB-CD1 3.87Å; C47-Y65 HydrophobicContact CB-CE1 3.4Å; C47-Y65 VanDerWaalsContact CB-CE1 3.4Å; L48-Y65 HydrophobicContact CB-CD1 4.47Å; L48-Y65 HydrophobicContact CD1-CD1 3.93Å; L48-Y65 HydrophobicContact CD1-CE1 4.21Å; L48-Y65 HydrophobicContact CD2-CE1 4.44Å; L48-Y65 HydrophobicContact CG-CD1 3.74Å; L48-Y65 HydrophobicContact CG-CE1 3.77Å; P56-Y65 CarbonylContact C-O 3.42Å; P56-Y65 WeakPolarHBondContact CA-O 3.33Å; V57-Y65 WeakPolarHBondContact CG2-O 3.35Å; V57-Y65 PolarHBondContact N-O 2.76Å; V57-Y65 PolarHBondContact O-N 2.73Å; V57-Y65 VanDerWaalsContact O-O 3.12Å; T59-Y65 HydrophobicContact CG2-CD2 3.77Å; T59-Y65 HydrophobicContact CG2-CE2 3.46Å; T59-Y65 VanDerWaalsContact CG2-CE2 3.46Å; Y65-I70 HydrophobicContact CD1-CD1 4.28Å; Y65-I70 HydrophobicContact CD2-CD1 4.22Å; Y65-I70 HydrophobicContact CD2-CG1 4.35Å; Y65-I70 HydrophobicContact CE1-CD1 4.45Å; Y65-I70 HydrophobicContact CE2-CD1 4.39Å; Y65-I70 HydrophobicContact CG-CB 4.17Å; Y65-I70 HydrophobicContact CG-CD1 4.16Å; Y65-I70 HydrophobicContact CG-CG1 4.28Å; Y65-C190 PolarHBondContact OH-SG 2.98Å; Y65-C190 VanDerWaalsContact OH-SG 3.35Å; Y65-P191 HydrophobicContact CE1-CG 3.86Å; Y65-P191 WeakPolarHBondContact OH-CG 3.48Å; Y65-M192 WeakPolarHBondContact OH-CB 3.48Å; Y65-M192 WeakPolarHBondContact OH-CG 3.4Å
66E95.5Very high94.5Very high29 Ų2943.1 Ų43.114%0.13621%0.212CC..EExtended strand (participates in β ladder)trans-77.7135.6161.7-179.2163.5-143.700109.5C46 Q68 A69 I70C46-E66 HydrophobicContact CB-CB 4.16Å; C46-E66 PolarHBondContact SG-N 3.49Å; E66-Q68 VanDerWaalsContact C-N 3.27Å; E66-Q68 PolarHBondContact O-N 2.88Å; E66-A69 HydrophobicContact CB-CB 4.21Å; E66-A69 PolarHBondContact O-N 3.36Å; E66-I70 WeakPolarHBondContact O-CG2 3.39Å; E66-I70 PolarHBondContact O-N 2.96Å; E66-I70 VanDerWaalsContact O-N 3.07Å
67K94.5Very high94.4Very high104 Ų10444.9 Ų44.945%0.45222%0.219SC..Hα-helixtrans-54.4-42.5-175.6-173176.7178.3-177.10112.8D55 V57 I70 L71D55-K67 HydrophobicContact CB-CB 4.08Å; D55-K67 WeakPolarHBondContact O-CB 3.42Å; D55-K67 PolarHBondContact O-N 3.27Å; V57-K67 HydrophobicContact CG1-CB 3.92Å; V57-K67 HydrophobicContact CG1-CD 4.42Å; V57-K67 HydrophobicContact CG1-CG 4.09Å; V57-K67 HydrophobicContact CG2-CB 4.38Å; K67-I70 WeakPolarHBondContact O-CG2 3.45Å; K67-L71 HydrophobicContact CG-CD1 3.99Å; K67-L71 WeakPolarHBondContact O-CB 3.39Å; K67-L71 WeakPolarHBondContact O-CD1 3.39Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.27Å
68Q94.6Very high94.4Very high120 Ų12050 Ų5056%0.56124%0.241SC*.Hα-helixtrans-65.3-52.6179.7-61.3-179.96.100110.9E66 I70 L71 E72E66-Q68 VanDerWaalsContact C-N 3.27Å; E66-Q68 PolarHBondContact O-N 2.88Å; Q68-I70 PolarHBondContact O-N 2.79Å; Q68-L71 PolarHBondContact O-N 3.43Å; Q68-L71 VanDerWaalsContact O-N 3.17Å; Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 3.29Å
69A94.5Very high94.4Very high20 Ų2053.3 Ų53.317%0.16526%0.261CS..Hα-helixtrans-58.6-43.4-177.500000113.3L48 E66 Y73L48-A69 HydrophobicContact CB-CB 4.4Å; L48-A69 HydrophobicContact CD1-CB 4.26Å; E66-A69 HydrophobicContact CB-CB 4.21Å; E66-A69 PolarHBondContact O-N 3.36Å; A69-Y73 WeakPolarHBondContact O-CB 3.45Å; A69-Y73 PolarHBondContact O-N 2.9Å; A69-Y73 VanDerWaalsContact O-N 3.07Å
70I94.9Very high94.4Very high0 Ų055.4 Ų55.40%027%0.271CS..Hα-helixtrans-71.1-34.2179.8-168.959.6000112.2L48 V57 Y65 E66 K67 Q68 Y73 I74 L202L48-I70 HydrophobicContact CD1-CD1 4.31Å; V57-I70 HydrophobicContact CG2-CG2 3.69Å; Y65-I70 HydrophobicContact CD1-CD1 4.28Å; Y65-I70 HydrophobicContact CD2-CD1 4.22Å; Y65-I70 HydrophobicContact CD2-CG1 4.35Å; Y65-I70 HydrophobicContact CE1-CD1 4.45Å; Y65-I70 HydrophobicContact CE2-CD1 4.39Å; Y65-I70 HydrophobicContact CG-CB 4.17Å; Y65-I70 HydrophobicContact CG-CD1 4.16Å; Y65-I70 HydrophobicContact CG-CG1 4.28Å; E66-I70 WeakPolarHBondContact O-CG2 3.39Å; E66-I70 PolarHBondContact O-N 2.96Å; E66-I70 VanDerWaalsContact O-N 3.07Å; K67-I70 WeakPolarHBondContact O-CG2 3.45Å; Q68-I70 PolarHBondContact O-N 2.79Å; I70-Y73 HydrophobicContact CD1-CD1 4.09Å; I70-Y73 PolarHBondContact O-N 3.38Å; I70-I74 HydrophobicContact CG1-CD1 4.14Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.3Å; I70-I74 PolarHBondContact O-N 2.93Å; I70-L202 HydrophobicContact CG1-CD1 4.33Å; I70-L202 HydrophobicContact CG1-CD2 4.23Å; I70-L202 HydrophobicContact CG2-CD1 3.8Å; I70-L202 HydrophobicContact CG2-CD2 4.49Å
71L94.2Very high94.5Very high44 Ų4453.4 Ų53.423%0.2326%0.256CS..Hα-helixtrans-69.5-43.1177.7-71.3175000111.3K67 Q68 Y73 I74 L75 M199 L202K67-L71 HydrophobicContact CG-CD1 3.99Å; K67-L71 WeakPolarHBondContact O-CB 3.39Å; K67-L71 WeakPolarHBondContact O-CD1 3.39Å; K67-L71 WeakPolarHBondContact O-CG 3.36Å; K67-L71 PolarHBondContact O-N 3.27Å; Q68-L71 PolarHBondContact O-N 3.43Å; Q68-L71 VanDerWaalsContact O-N 3.17Å; L71-Y73 VanDerWaalsContact C-N 3.31Å; L71-Y73 PolarHBondContact O-N 2.98Å; L71-I74 PolarHBondContact O-N 3.36Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.93Å; L71-M199 HydrophobicContact CD2-CE 3.99Å; L71-M199 HydrophobicContact CD2-CG 3.9Å; L71-M199 HydrophobicContact CD2-SD 3.94Å; L71-L202 HydrophobicContact CD2-CD1 4.42Å
72E95.3Very high94.7Very high131 Ų13154.8 Ų54.861%0.61227%0.272SS*.Hα-helixtrans-57.3-45.8172.6-73.1-179.8176.900111.5Q68 I74 L75 H76Q68-E72 WeakPolarHBondContact O-CG 3.37Å; Q68-E72 PolarHBondContact O-N 3.29Å; E72-I74 PolarHBondContact O-N 3.28Å; E72-L75 PolarHBondContact O-N 3.04Å; E72-H76 WeakPolarHBondContact O-CB 3.1Å; E72-H76 PolarHBondContact O-N 2.88Å
73Y95.3Very high94.8Very high61 Ų6160.8 Ų60.824%0.23930%0.297CS..Hα-helixtrans-58.5-46.5174.9173.5-97000112.4A69 I70 L71 L75 H76 Q77 V188 L189 P191A69-Y73 WeakPolarHBondContact O-CB 3.45Å; A69-Y73 PolarHBondContact O-N 2.9Å; A69-Y73 VanDerWaalsContact O-N 3.07Å; I70-Y73 HydrophobicContact CD1-CD1 4.09Å; I70-Y73 PolarHBondContact O-N 3.38Å; L71-Y73 VanDerWaalsContact C-N 3.31Å; L71-Y73 PolarHBondContact O-N 2.98Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.1Å; Y73-H76 PolarHBondContact O-N 2.78Å; Y73-Q77 WeakPolarHBondContact O-CB 3.15Å; Y73-Q77 PolarHBondContact O-N 3.49Å; Y73-V188 HydrophobicContact CE1-CG1 4.2Å; Y73-L189 VanDerWaalsContact CE1-O 3.31Å; Y73-L189 WeakPolarHBondContact CE1-O 3.5Å; Y73-L189 PolarHBondContact OH-O 3.26Å; Y73-P191 HydrophobicContact CE1-CB 4.44Å; Y73-P191 HydrophobicContact CE1-CG 4.27Å; Y73-P191 HydrophobicContact CE2-CB 4.32Å
74I94.6Very high94.8Very high7 Ų763.9 Ų63.94%0.03631%0.312CS..Hα-helixtrans-62.3-42.5178.6-71.2165.7000110.8I70 L71 E72 K78 V188 L202I70-I74 HydrophobicContact CG1-CD1 4.14Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.3Å; I70-I74 PolarHBondContact O-N 2.93Å; L71-I74 PolarHBondContact O-N 3.36Å; E72-I74 PolarHBondContact O-N 3.28Å; I74-K78 HydrophobicContact CG2-CD 4.2Å; I74-K78 WeakPolarHBondContact O-CB 3.13Å; I74-K78 VanDerWaalsContact O-CG 3.31Å; I74-K78 WeakPolarHBondContact O-CG 3.35Å; I74-K78 PolarHBondContact O-N 3.32Å; I74-V188 HydrophobicContact CG1-CG1 4.15Å; I74-L202 HydrophobicContact CD1-CD1 4.27Å
75L95.1Very high94.8Very high112 Ų11264.7 Ų64.759%0.58632%0.316SS*.Hα-helixtrans-63.2-50.5177.4-71.4176000110.8L71 E72 Y73 Q77 K78 T79L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 2.93Å; E72-L75 PolarHBondContact O-N 3.04Å; Y73-L75 VanDerWaalsContact C-N 3.34Å; Y73-L75 PolarHBondContact O-N 3.1Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.04Å; L75-K78 PolarHBondContact O-N 2.89Å; L75-K78 VanDerWaalsContact O-N 3.17Å; L75-T79 WeakPolarHBondContact O-CG2 3.21Å; L75-T79 PolarHBondContact O-N 2.97Å
76H95.3Very high94.7Very high109 Ų10972.3 Ų72.351%0.50535%0.349SS..Hα-helixtrans-54.1-50176.8-179.5-91.8000111.1E72 Y73 K78 T79 E80E72-H76 WeakPolarHBondContact O-CB 3.1Å; E72-H76 PolarHBondContact O-N 2.88Å; Y73-H76 PolarHBondContact O-N 2.78Å; H76-K78 VanDerWaalsContact C-N 3.34Å; H76-K78 PolarHBondContact O-N 3.42Å; H76-T79 PolarHBondContact O-N 3.46Å; H76-T79 VanDerWaalsContact O-N 3.13Å; H76-T79 PolarHBondContact O-OG1 3.43Å; H76-E80 PolarHBondContact O-N 2.98Å
77Q94.2Very high94.6Very high49 Ų4973 Ų7323%0.22936%0.36CS..Hα-helixtrans-64.3-37-179.3-168.864.8-0.100112.8Y73 L75 E80 I81 V188Y73-Q77 WeakPolarHBondContact O-CB 3.15Å; Y73-Q77 PolarHBondContact O-N 3.49Å; L75-Q77 VanDerWaalsContact C-N 3.33Å; L75-Q77 PolarHBondContact O-N 3.04Å; Q77-E80 PolarHBondContact O-N 3Å; Q77-I81 HydrophobicContact CG-CD1 3.96Å; Q77-I81 HydrophobicContact CG-CG1 4.49Å; Q77-I81 WeakPolarHBondContact O-CB 3.19Å; Q77-I81 WeakPolarHBondContact O-CD1 3.41Å; Q77-I81 WeakPolarHBondContact O-CG1 3.49Å; Q77-I81 PolarHBondContact O-N 3.39Å; Q77-V188 HydrophobicContact CB-CG1 3.99Å; Q77-V188 HydrophobicContact CB-CG2 4.2Å; Q77-V188 HydrophobicContact CG-CB 4.37Å; Q77-V188 HydrophobicContact CG-CG1 3.96Å; Q77-V188 HydrophobicContact CG-CG2 4.12Å
78K94.5Very high94.6Very high117 Ų11770.8 Ų70.851%0.50935%0.349SS..Hα-helixtrans-62.9-42.4173.3-77.6178.4177.6-179.50111.8I74 L75 H76 I81 A82 V188I74-K78 HydrophobicContact CG2-CD 4.2Å; I74-K78 WeakPolarHBondContact O-CB 3.13Å; I74-K78 VanDerWaalsContact O-CG 3.31Å; I74-K78 WeakPolarHBondContact O-CG 3.35Å; I74-K78 PolarHBondContact O-N 3.32Å; L75-K78 PolarHBondContact O-N 2.89Å; L75-K78 VanDerWaalsContact O-N 3.17Å; H76-K78 VanDerWaalsContact C-N 3.34Å; H76-K78 PolarHBondContact O-N 3.42Å; K78-I81 PolarHBondContact O-N 3.25Å; K78-A82 WeakPolarHBondContact O-CB 3.48Å; K78-A82 PolarHBondContact O-N 2.77Å; K78-V188 HydrophobicContact CG-CG2 3.73Å
79T95.5Very high94.5Very high69 Ų6970 Ų7042%0.42335%0.345SS..Hα-helixtrans-64.2-41.8177.267.30000112L75 H76 A82 K83L75-T79 WeakPolarHBondContact O-CG2 3.21Å; L75-T79 PolarHBondContact O-N 2.97Å; H76-T79 PolarHBondContact O-N 3.46Å; H76-T79 VanDerWaalsContact O-N 3.13Å; H76-T79 PolarHBondContact O-OG1 3.43Å; T79-A82 PolarHBondContact O-N 3.03Å; T79-K83 WeakPolarHBondContact O-CG 3.33Å; T79-K83 PolarHBondContact O-N 2.97Å
80E95Very high94.5Very high46 Ų4676.6 Ų76.622%0.21537%0.37CS..Hα-helixtrans-66.6-41.5178-74.2-57.6117.200112.2H76 Q77 A82 K83 K84H76-E80 PolarHBondContact O-N 2.98Å; Q77-E80 PolarHBondContact O-N 3Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.25Å; E80-K83 PolarHBondContact O-N 3.11Å; E80-K83 WeakPolarHBondContact OE1-CD 3.1Å; E80-K83 IonicContact OE1-NZ 3.51Å; E80-K83 PolarHBondContact OE1-NZ 3.01Å; E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 VanDerWaalsContact O-CG 3.3Å; E80-K84 WeakPolarHBondContact O-CG 3.24Å; E80-K84 PolarHBondContact O-N 3.18Å
81I94.6Very high94.2Very high18 Ų1878.1 Ų78.19%0.09238%0.378CS..Hα-helixtrans-61-44.5173-71.2167.6000110.2Q77 K78 K83 K84 M85 S185 V188Q77-I81 HydrophobicContact CG-CD1 3.96Å; Q77-I81 HydrophobicContact CG-CG1 4.49Å; Q77-I81 WeakPolarHBondContact O-CB 3.19Å; Q77-I81 WeakPolarHBondContact O-CD1 3.41Å; Q77-I81 WeakPolarHBondContact O-CG1 3.49Å; Q77-I81 PolarHBondContact O-N 3.39Å; K78-I81 PolarHBondContact O-N 3.25Å; I81-K83 PolarHBondContact O-N 2.99Å; I81-K84 PolarHBondContact O-N 3Å; I81-M85 HydrophobicContact CG2-CG 4.11Å; I81-M85 WeakPolarHBondContact O-CB 3.39Å; I81-M85 WeakPolarHBondContact O-CG 3.29Å; I81-M85 PolarHBondContact O-N 3.38Å; I81-S185 WeakPolarHBondContact CG2-O 3.2Å; I81-V188 HydrophobicContact CD1-CG2 4.28Å
82A95.1Very high94.2Very high58 Ų5882.4 Ų82.448%0.47939%0.394SS..Hα-helixtrans-61.4-43.2178.300000112.2K78 T79 E80 M85 K86K78-A82 WeakPolarHBondContact O-CB 3.48Å; K78-A82 PolarHBondContact O-N 2.77Å; T79-A82 PolarHBondContact O-N 3.03Å; E80-A82 VanDerWaalsContact C-N 3.33Å; E80-A82 PolarHBondContact O-N 3.25Å; A82-M85 PolarHBondContact O-N 3.21Å; A82-K86 WeakPolarHBondContact O-CB 3.4Å; A82-K86 PolarHBondContact O-N 3.08Å
83K95.1Very high94.1Very high127 Ų12782.7 Ų82.755%0.55240%0.396SS*.Hα-helixtrans-60.2-48.5174.5-70.2173.8-167.8167.50111.6T79 E80 I81 M85 K86 A87T79-K83 WeakPolarHBondContact O-CG 3.33Å; T79-K83 PolarHBondContact O-N 2.97Å; E80-K83 PolarHBondContact O-N 3.11Å; E80-K83 WeakPolarHBondContact OE1-CD 3.1Å; E80-K83 IonicContact OE1-NZ 3.51Å; E80-K83 PolarHBondContact OE1-NZ 3.01Å; I81-K83 PolarHBondContact O-N 2.99Å; K83-M85 VanDerWaalsContact C-N 3.35Å; K83-M85 PolarHBondContact O-N 2.62Å; K83-K86 PolarHBondContact O-N 3.06Å; K83-A87 PolarHBondContact O-N 3.04Å
84K93.4Very high93.9Very high114 Ų11482.1 Ų82.150%0.49640%0.403SS..Hα-helixtrans-63.5-39.2178.9-70.6173.3-175.8174.80112.1E80 I81 A87 Y88 P184E80-K84 WeakPolarHBondContact O-CB 3.31Å; E80-K84 VanDerWaalsContact O-CG 3.3Å; E80-K84 WeakPolarHBondContact O-CG 3.24Å; E80-K84 PolarHBondContact O-N 3.18Å; I81-K84 PolarHBondContact O-N 3Å; K84-A87 PolarHBondContact O-N 2.85Å; K84-Y88 WeakPolarHBondContact O-CB 3.48Å; K84-Y88 PolarHBondContact O-N 3.09Å; K84-P184 HydrophobicContact CB-CB 4.19Å; K84-P184 HydrophobicContact CB-CG 3.79Å
85M93.9Very high93.6Very high24 Ų2484.7 Ų84.712%0.11842%0.417CS..Hα-helixtrans-64-45.1176-75.4-65.7-5600111.4I81 A82 K83 A87 Y88 E89 P184I81-M85 HydrophobicContact CG2-CG 4.11Å; I81-M85 WeakPolarHBondContact O-CB 3.39Å; I81-M85 WeakPolarHBondContact O-CG 3.29Å; I81-M85 PolarHBondContact O-N 3.38Å; A82-M85 PolarHBondContact O-N 3.21Å; K83-M85 VanDerWaalsContact C-N 3.35Å; K83-M85 PolarHBondContact O-N 2.62Å; M85-A87 VanDerWaalsContact C-N 3.35Å; M85-A87 PolarHBondContact O-N 2.91Å; M85-Y88 WeakPolarHBondContact O-CB 3.29Å; M85-Y88 PolarHBondContact O-N 3.26Å; M85-E89 WeakPolarHBondContact O-CG 3.37Å; M85-E89 PolarHBondContact O-N 3.49Å; M85-P184 HydrophobicContact CG-CB 4.26Å; M85-P184 HydrophobicContact CG-CG 4.06Å; M85-P184 HydrophobicContact SD-CB 3.85Å; M85-P184 VanDerWaalsContact SD-CD 3.54Å; M85-P184 HydrophobicContact SD-CG 3.63Å
86K94.6Very high93.5Very high159 Ų15986 Ų8669%0.69142%0.418SS*.Hα-helixtrans-61.9-41.6176.4-172.5177.9-178.5178.90112.1A82 K83 E89 K90A82-K86 WeakPolarHBondContact O-CB 3.4Å; A82-K86 PolarHBondContact O-N 3.08Å; K83-K86 PolarHBondContact O-N 3.06Å; K86-E89 PolarHBondContact O-N 2.95Å; K86-K90 WeakPolarHBondContact O-CB 3.49Å; K86-K90 PolarHBondContact O-N 3.47Å
87A93.1Very high93.4Very high45 Ų4583.4 Ų83.437%0.37241%0.412SS..Hα-helixtrans-62.9-43.5175.300000112K83 K84 M85 K90 Q91 L181K83-A87 PolarHBondContact O-N 3.04Å; K84-A87 PolarHBondContact O-N 2.85Å; M85-A87 VanDerWaalsContact C-N 3.35Å; M85-A87 PolarHBondContact O-N 2.91Å; A87-K90 PolarHBondContact O-N 3.4Å; A87-Q91 PolarHBondContact O-N 2.88Å; A87-L181 HydrophobicContact CB-CD1 4.12Å
88Y93.6Very high93.2Very high57 Ų5783.9 Ų83.922%0.22442%0.419CS..Hα-helixtrans-62.2-43.1175.7174.9-104.1000112.4K84 M85 Q91 K92 L181 K183K84-Y88 WeakPolarHBondContact O-CB 3.48Å; K84-Y88 PolarHBondContact O-N 3.09Å; M85-Y88 WeakPolarHBondContact O-CB 3.29Å; M85-Y88 PolarHBondContact O-N 3.26Å; Y88-Q91 PolarHBondContact O-N 2.93Å; Y88-K92 WeakPolarHBondContact O-CB 3.2Å; Y88-K92 PolarHBondContact O-N 3.47Å; Y88-L181 HydrophobicContact CD2-CB 4.17Å; Y88-L181 WeakPolarHBondContact CD2-O 3.49Å; Y88-L181 WeakPolarHBondContact CE2-O 3.2Å; Y88-K183 HydrophobicContact CD1-CG 4.5Å; Y88-K183 HydrophobicContact CE1-CB 4Å; Y88-K183 HydrophobicContact CE1-CG 4.04Å; Y88-K183 HydrophobicContact CE2-CB 4.32Å
89E93.4Very high93Very high102 Ų10282.9 Ų82.948%0.47742%0.419SS..Hα-helixtrans-64.1-42.4176.8-74.4173-178.800112.1M85 K86 Q91 K92 Q93M85-E89 WeakPolarHBondContact O-CG 3.37Å; M85-E89 PolarHBondContact O-N 3.49Å; K86-E89 PolarHBondContact O-N 2.95Å; E89-Q91 PolarHBondContact O-N 3.37Å; E89-K92 PolarHBondContact O-N 2.96Å; E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.37Å
90K93.5Very high92.9Very high159 Ų15984.4 Ų84.469%0.69142%0.421SS*.Hα-helixtrans-60.3-45.1174.7-174.3178.7178.9-1780111.5K86 A87 Q93 A94K86-K90 WeakPolarHBondContact O-CB 3.49Å; K86-K90 PolarHBondContact O-N 3.47Å; A87-K90 PolarHBondContact O-N 3.4Å; K90-Q93 PolarHBondContact O-N 3.1Å; K90-A94 PolarHBondContact O-N 3.48Å
91Q90.1Very high92.7Very high33 Ų3387.8 Ų87.815%0.15444%0.44CS..Hα-helixtrans-63.9-43.1176.8-173.9178.133.700111.8A87 Y88 E89 Q93 A94 L95 T179 L181A87-Q91 PolarHBondContact O-N 2.88Å; Y88-Q91 PolarHBondContact O-N 2.93Å; E89-Q91 PolarHBondContact O-N 3.37Å; Q91-Q93 VanDerWaalsContact C-N 3.32Å; Q91-Q93 PolarHBondContact O-N 2.83Å; Q91-A94 PolarHBondContact O-N 3.23Å; Q91-L95 HydrophobicContact CG-CD1 4.05Å; Q91-L95 HydrophobicContact CG-CG 4.42Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.47Å; Q91-L95 PolarHBondContact O-N 2.83Å; Q91-T179 PolarHBondContact NE2-O 3.31Å; Q91-L181 VanDerWaalsContact OE1-CG 3.23Å
92K92.3Very high92.5Very high133 Ų13392 Ų9258%0.57846%0.459SS*.Hα-helixtrans-61.6-40.1177.3-175.5180178.3-177.30112.1Y88 E89 K96Y88-K92 WeakPolarHBondContact O-CB 3.2Å; Y88-K92 PolarHBondContact O-N 3.47Å; E89-K92 PolarHBondContact O-N 2.96Å; K92-K96 WeakPolarHBondContact O-CB 3.45Å; K92-K96 PolarHBondContact O-N 3.02Å
93Q93.1Very high92.3Very high138 Ų13891.7 Ų91.765%0.64545%0.453SS*.Hα-helixtrans-65.7-45.3175.4-73.7176.8-0.700111.6E89 K90 Q91 L95 K96 S97E89-Q93 WeakPolarHBondContact O-CG 3.39Å; E89-Q93 PolarHBondContact O-N 3.37Å; K90-Q93 PolarHBondContact O-N 3.1Å; Q91-Q93 VanDerWaalsContact C-N 3.32Å; Q91-Q93 PolarHBondContact O-N 2.83Å; Q93-L95 PolarHBondContact O-N 3.45Å; Q93-K96 PolarHBondContact O-N 2.78Å; Q93-S97 PolarHBondContact O-N 2.76Å; Q93-S97 PolarHBondContact O-OG 3.36Å
94A91.3Very high92.2Very high48 Ų4891.1 Ų91.140%0.39745%0.451SS..Hα-helixtrans-58.1-49.5176.300000111.5K90 Q91 K96 S97 T98K90-A94 PolarHBondContact O-N 3.48Å; Q91-A94 PolarHBondContact O-N 3.23Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3.05Å; A94-S97 WeakPolarHBondContact CA-OG 3.4Å; A94-S97 PolarHBondContact O-N 2.65Å; A94-S97 VanDerWaalsContact O-N 3.11Å; A94-S97 PolarHBondContact O-OG 3.14Å; A94-T98 WeakPolarHBondContact O-CG2 3.3Å; A94-T98 PolarHBondContact O-N 3.36Å; A94-T98 PolarHBondContact O-OG1 3.44Å
95L89.9Confident92.1Very high62 Ų6288 Ų8833%0.32544%0.444SS..Hα-helixtrans-60.1-37.9176.5-69.2169.2000112.7Q91 Q93 T98 N99 L180Q91-L95 HydrophobicContact CG-CD1 4.05Å; Q91-L95 HydrophobicContact CG-CG 4.42Å; Q91-L95 VanDerWaalsContact O-CG 3.3Å; Q91-L95 WeakPolarHBondContact O-CG 3.47Å; Q91-L95 PolarHBondContact O-N 2.83Å; Q93-L95 PolarHBondContact O-N 3.45Å; L95-T98 WeakPolarHBondContact CA-OG1 3.36Å; L95-T98 PolarHBondContact O-OG1 3.44Å; L95-N99 WeakPolarHBondContact O-CB 3.39Å; L95-N99 PolarHBondContact O-N 3.11Å; L95-N99 PolarHBondContact O-OD1 3.27Å; L95-L180 HydrophobicContact CD1-CD2 3.52Å; L95-L180 HydrophobicContact CD2-CD2 4.27Å
96K91.3Very high92.1Very high138 Ų13892.9 Ų92.960%0.647%0.466SS*.Hα-helixtrans-66.7-41.1175.7-170.5179.6179.1-175.40111.3K92 Q93 A94 Q100K92-K96 WeakPolarHBondContact O-CB 3.45Å; K92-K96 PolarHBondContact O-N 3.02Å; Q93-K96 PolarHBondContact O-N 2.78Å; A94-K96 VanDerWaalsContact C-N 3.3Å; A94-K96 PolarHBondContact O-N 3.05Å; K96-Q100 WeakPolarHBondContact O-CB 3.48Å; K96-Q100 VanDerWaalsContact O-CG 3.29Å; K96-Q100 WeakPolarHBondContact O-CG 3.41Å; K96-Q100 PolarHBondContact O-N 2.79Å
97S92.9Very high92Very high56 Ų5691.1 Ų91.139%0.39246%0.461SS..Hα-helixtrans-68.5-40.5177.8600000112.8Q93 A94 Q100 L101Q93-S97 PolarHBondContact O-N 2.76Å; Q93-S97 PolarHBondContact O-OG 3.36Å; A94-S97 WeakPolarHBondContact CA-OG 3.4Å; A94-S97 PolarHBondContact O-N 2.65Å; A94-S97 VanDerWaalsContact O-N 3.11Å; A94-S97 PolarHBondContact O-OG 3.14Å; S97-Q100 PolarHBondContact O-N 3.32Å; S97-L101 WeakPolarHBondContact O-CG 3.26Å; S97-L101 PolarHBondContact O-N 2.9Å
98T90Very high91.9Very high59 Ų5997.9 Ų97.936%0.36248%0.476SS..Hα-helixtrans-64.4-48.2176.154.10000110.5A94 L95 Q100 L101 E102A94-T98 WeakPolarHBondContact O-CG2 3.3Å; A94-T98 PolarHBondContact O-N 3.36Å; A94-T98 PolarHBondContact O-OG1 3.44Å; L95-T98 WeakPolarHBondContact CA-OG1 3.36Å; L95-T98 PolarHBondContact O-OG1 3.44Å; T98-Q100 VanDerWaalsContact C-N 3.27Å; T98-Q100 PolarHBondContact O-N 2.81Å; T98-L101 PolarHBondContact O-N 2.73Å; T98-L101 VanDerWaalsContact O-N 3.08Å; T98-E102 WeakPolarHBondContact O-CB 3.45Å; T98-E102 WeakPolarHBondContact O-CG 3.21Å; T98-E102 PolarHBondContact O-N 3.36Å
99N91Very high91.9Very high96 Ų9699.6 Ų99.651%0.51349%0.487SS..Hα-helixtrans-60.9-35.8177.6-715.9000112.4L95 S103L95-N99 WeakPolarHBondContact O-CB 3.39Å; L95-N99 PolarHBondContact O-N 3.11Å; L95-N99 PolarHBondContact O-OD1 3.27Å; N99-S103 WeakPolarHBondContact O-CB 3.46Å; N99-S103 PolarHBondContact O-N 2.98Å
100Q92.8Very high91.9Very high100 Ų100104.3 Ų104.347%0.46750%0.5SS..Hα-helixtrans-69.6-37.7175.1-79-177.9-5.300112.8K96 S97 T98 K104K96-Q100 WeakPolarHBondContact O-CB 3.48Å; K96-Q100 VanDerWaalsContact O-CG 3.29Å; K96-Q100 WeakPolarHBondContact O-CG 3.41Å; K96-Q100 PolarHBondContact O-N 2.79Å; S97-Q100 PolarHBondContact O-N 3.32Å; T98-Q100 VanDerWaalsContact C-N 3.27Å; T98-Q100 PolarHBondContact O-N 2.81Å; Q100-K104 WeakPolarHBondContact O-CB 3.42Å; Q100-K104 VanDerWaalsContact O-CG 3.26Å; Q100-K104 WeakPolarHBondContact O-CG 3.37Å; Q100-K104 PolarHBondContact O-N 3.37Å; Q100-K104 VanDerWaalsContact O-N 3.09Å
101L91.7Very high91.8Very high118 Ų118100.5 Ų100.562%0.61849%0.49SS*.Hα-helixtrans-68.9-42175.1-72.4169.4000111.1S97 T98 K104 S105S97-L101 WeakPolarHBondContact O-CG 3.26Å; S97-L101 PolarHBondContact O-N 2.9Å; T98-L101 PolarHBondContact O-N 2.73Å; T98-L101 VanDerWaalsContact O-N 3.08Å; L101-K104 PolarHBondContact O-N 2.64Å; L101-S105 WeakPolarHBondContact O-CB 3.11Å; L101-S105 PolarHBondContact O-N 2.99Å; L101-S105 PolarHBondContact O-OG 2.98Å
102E90.1Very high91.9Very high106 Ų106105.1 Ų105.150%0.49551%0.511SS..Hα-helixtrans-58.8-55.1174.7-75.2174.1179.800110.3T98 K104 S105 E106T98-E102 WeakPolarHBondContact O-CB 3.45Å; T98-E102 WeakPolarHBondContact O-CG 3.21Å; T98-E102 PolarHBondContact O-N 3.36Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.68Å; E102-S105 WeakPolarHBondContact CA-OG 3.49Å; E102-S105 CarbonylContact O-C 3.59Å; E102-S105 PolarHBondContact O-N 3.17Å; E102-S105 PolarHBondContact O-OG 3.13Å; E102-E106 WeakPolarHBondContact O-CG 3.31Å; E102-E106 PolarHBondContact O-N 2.76Å
103S91.7Very high91.9Very high51 Ų51106.7 Ų106.736%0.35751%0.514SS..Hα-helixtrans-55.4-44.5177164.90000113N99 S105 E106 E107N99-S103 WeakPolarHBondContact O-CB 3.46Å; N99-S103 PolarHBondContact O-N 2.98Å; S103-S105 VanDerWaalsContact C-N 3.34Å; S103-S105 PolarHBondContact O-N 3.47Å; S103-E106 PolarHBondContact O-N 3.35Å; S103-E107 WeakPolarHBondContact O-CB 3.37Å; S103-E107 WeakPolarHBondContact O-CG 3.44Å; S103-E107 PolarHBondContact O-N 3.37Å
104K93.6Very high91.9Very high116 Ų116106.2 Ų106.250%0.50451%0.51SS..Hα-helixtrans-65.6-36.2176.3-75.2175.9-179.1-179.10112.6Q100 L101 E102 R108Q100-K104 WeakPolarHBondContact O-CB 3.42Å; Q100-K104 VanDerWaalsContact O-CG 3.26Å; Q100-K104 WeakPolarHBondContact O-CG 3.37Å; Q100-K104 PolarHBondContact O-N 3.37Å; Q100-K104 VanDerWaalsContact O-N 3.09Å; L101-K104 PolarHBondContact O-N 2.64Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.68Å; K104-R108 WeakPolarHBondContact O-CB 3.2Å; K104-R108 VanDerWaalsContact O-CG 3.24Å; K104-R108 WeakPolarHBondContact O-CG 3.48Å; K104-R108 PolarHBondContact O-N 2.92Å
105S91.1Very high91.9Very high49 Ų49110 Ų11034%0.34352%0.517SS..Hα-helixtrans-72.5-37.7177.971.50000111.8L101 E102 S103 R108 Q109L101-S105 WeakPolarHBondContact O-CB 3.11Å; L101-S105 PolarHBondContact O-N 2.99Å; L101-S105 PolarHBondContact O-OG 2.98Å; E102-S105 WeakPolarHBondContact CA-OG 3.49Å; E102-S105 CarbonylContact O-C 3.59Å; E102-S105 PolarHBondContact O-N 3.17Å; E102-S105 PolarHBondContact O-OG 3.13Å; S103-S105 VanDerWaalsContact C-N 3.34Å; S103-S105 PolarHBondContact O-N 3.47Å; S105-R108 PolarHBondContact O-N 3.42Å; S105-Q109 WeakPolarHBondContact O-CB 3.35Å; S105-Q109 WeakPolarHBondContact O-CG 3.4Å; S105-Q109 PolarHBondContact O-N 3.4Å
106E92.8Very high91.8Very high126 Ų126111.5 Ų111.559%0.58953%0.529SS*.Hα-helixtrans-62.4-45.3172.2-73.5175.7178.300111.4E102 S103 R108 Q109 R110E102-E106 WeakPolarHBondContact O-CG 3.31Å; E102-E106 PolarHBondContact O-N 2.76Å; S103-E106 PolarHBondContact O-N 3.35Å; E106-R108 PolarHBondContact O-N 2.96Å; E106-Q109 PolarHBondContact O-N 3.04Å; E106-R110 WeakPolarHBondContact O-CB 3.38Å; E106-R110 PolarHBondContact O-N 3.16Å
107E92.9Very high91.5Very high122 Ų122107.7 Ų107.757%0.5752%0.52SS*.Hα-helixtrans-59.4-46.2174.4-76.8175.6177.900111.5S103 R110 V111S103-E107 WeakPolarHBondContact O-CB 3.37Å; S103-E107 WeakPolarHBondContact O-CG 3.44Å; S103-E107 PolarHBondContact O-N 3.37Å; E107-R110 PolarHBondContact O-N 3.18Å; E107-V111 WeakPolarHBondContact O-CG2 3.17Å; E107-V111 PolarHBondContact O-N 3.3Å
108R91.1Very high91.1Very high186 Ų186109.7 Ų109.770%0.70252%0.523SS*.Hα-helixtrans-61.1-47.5176-74.6173.1-177.7-164.2-0.2111.8K104 S105 E106 R110 V111 E112K104-R108 WeakPolarHBondContact O-CB 3.2Å; K104-R108 VanDerWaalsContact O-CG 3.24Å; K104-R108 WeakPolarHBondContact O-CG 3.48Å; K104-R108 PolarHBondContact O-N 2.92Å; S105-R108 PolarHBondContact O-N 3.42Å; E106-R108 PolarHBondContact O-N 2.96Å; R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 2.99Å; R108-V111 PolarHBondContact O-N 2.61Å; R108-E112 WeakPolarHBondContact O-CG 3.37Å; R108-E112 PolarHBondContact O-N 3.27Å
109Q92.5Very high90.5Very high94 Ų94112.5 Ų112.544%0.43954%0.536SS..Hα-helixtrans-61.4-38.1176.8-76.3-177.83600111.7S105 E106 E112 R113S105-Q109 WeakPolarHBondContact O-CB 3.35Å; S105-Q109 WeakPolarHBondContact O-CG 3.4Å; S105-Q109 PolarHBondContact O-N 3.4Å; E106-Q109 PolarHBondContact O-N 3.04Å; Q109-E112 PolarHBondContact O-N 2.8Å; Q109-R113 WeakPolarHBondContact O-CB 3.45Å; Q109-R113 VanDerWaalsContact O-CG 3.23Å; Q109-R113 WeakPolarHBondContact O-CG 3.29Å; Q109-R113 PolarHBondContact O-N 2.82Å
110R93.9Very high89.6Confident200 Ų200110.2 Ų110.276%0.75553%0.527SS*.Hα-helixtrans-64.3-44.1176.7-172.9174.6-175164.41.4111.4E106 E107 R108 R113 F114E106-R110 WeakPolarHBondContact O-CB 3.38Å; E106-R110 PolarHBondContact O-N 3.16Å; E107-R110 PolarHBondContact O-N 3.18Å; R108-R110 VanDerWaalsContact C-N 3.28Å; R108-R110 PolarHBondContact O-N 2.99Å; R110-R113 PolarHBondContact O-N 2.82Å; R110-F114 WeakPolarHBondContact O-CB 3.4Å; R110-F114 PolarHBondContact O-N 3.28Å
111V92.5Very high88.2Confident79 Ų79111.7 Ų111.748%0.47954%0.537SS..Hα-helixtrans-64.1-41.8175.4172.50000111.1E107 R108 F114 K115E107-V111 WeakPolarHBondContact O-CG2 3.17Å; E107-V111 PolarHBondContact O-N 3.3Å; R108-V111 PolarHBondContact O-N 2.61Å; V111-F114 PolarHBondContact O-N 3.3Å; V111-K115 HydrophobicContact CG1-CD 4.43Å; V111-K115 WeakPolarHBondContact O-CG 3.22Å; V111-K115 PolarHBondContact O-N 3.36Å
112E92Very high86.8Confident130 Ų130112.3 Ų112.361%0.60755%0.545SS*.Hα-helixtrans-65.8-44176.9-75-165.9170.300112.6R108 Q109 F114 K115 T116R108-E112 WeakPolarHBondContact O-CG 3.37Å; R108-E112 PolarHBondContact O-N 3.27Å; Q109-E112 PolarHBondContact O-N 2.8Å; E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 3.44Å; E112-K115 PolarHBondContact O-N 2.82Å; E112-T116 WeakPolarHBondContact O-CG2 3.31Å; E112-T116 PolarHBondContact O-N 2.96Å; E112-T116 PolarHBondContact O-OG1 3Å
113R90.9Very high85.2Confident167 Ų167111.2 Ų111.263%0.6355%0.549SS*.Hα-helixtrans-58.8-39.3173.8-73.7176.9-165-169.68111.9Q109 R110 T116 S117Q109-R113 WeakPolarHBondContact O-CB 3.45Å; Q109-R113 VanDerWaalsContact O-CG 3.23Å; Q109-R113 WeakPolarHBondContact O-CG 3.29Å; Q109-R113 PolarHBondContact O-N 2.82Å; R110-R113 PolarHBondContact O-N 2.82Å; R113-T116 WeakPolarHBondContact CA-OG1 3.08Å; R113-T116 PolarHBondContact O-OG1 3.17Å; R113-S117 PolarHBondContact O-N 3.35Å; R113-S117 PolarHBondContact O-OG 2.81Å; R113-S117 VanDerWaalsContact O-OG 3.09Å
114F93.4Very high83.7Confident127 Ų127116.1 Ų116.156%0.55756%0.564SS**Hα-helixtrans-64.8-45.6175.2-178.4-99.6000111.9R110 V111 E112 T116 S117 E118R110-F114 WeakPolarHBondContact O-CB 3.4Å; R110-F114 PolarHBondContact O-N 3.28Å; V111-F114 PolarHBondContact O-N 3.3Å; E112-F114 VanDerWaalsContact C-N 3.26Å; E112-F114 PolarHBondContact O-N 3.44Å; F114-T116 VanDerWaalsContact C-N 3.33Å; F114-T116 PolarHBondContact O-N 2.84Å; F114-S117 WeakPolarHBondContact CA-OG 3.21Å; F114-S117 PolarHBondContact O-N 3.49Å; F114-S117 PolarHBondContact O-OG 3.06Å; F114-E118 HydrophobicContact CD1-CG 4.27Å; F114-E118 HydrophobicContact CE1-CG 3.79Å; F114-E118 HydrophobicContact CE2-CG 4.13Å; F114-E118 HydrophobicContact CZ-CG 3.7Å; F114-E118 WeakPolarHBondContact O-CG 3.29Å; F114-E118 PolarHBondContact O-N 2.95Å
115K91.4Very high82Confident128 Ų128115.5 Ų115.556%0.55757%0.572SS**Hα-helixtrans-60.4-41.3176.6-73.8177.9178.9-1780112.5V111 E112 N119V111-K115 HydrophobicContact CG1-CD 4.43Å; V111-K115 WeakPolarHBondContact O-CG 3.22Å; V111-K115 PolarHBondContact O-N 3.36Å; E112-K115 PolarHBondContact O-N 2.82Å; K115-N119 WeakPolarHBondContact O-CB 3.13Å; K115-N119 PolarHBondContact O-N 2.87Å
116T87.8Confident80.4Confident94 Ų94120.6 Ų120.658%0.57759%0.594SS**Hα-helixtrans-70.7-36.7179.355.50000112.3E112 R113 F114 S120E112-T116 WeakPolarHBondContact O-CG2 3.31Å; E112-T116 PolarHBondContact O-N 2.96Å; E112-T116 PolarHBondContact O-OG1 3Å; R113-T116 WeakPolarHBondContact CA-OG1 3.08Å; R113-T116 PolarHBondContact O-OG1 3.17Å; F114-T116 VanDerWaalsContact C-N 3.33Å; F114-T116 PolarHBondContact O-N 2.84Å; T116-S120 WeakPolarHBondContact O-CB 3.35Å; T116-S120 PolarHBondContact O-N 2.91Å
117S85.7Confident78.6Confident57 Ų57121.1 Ų121.140%0.39960%0.601SS.*Hα-helixtrans-64.4-43.8174.152.20000112.6R113 F114 S120 I121R113-S117 PolarHBondContact O-N 3.35Å; R113-S117 PolarHBondContact O-OG 2.81Å; R113-S117 VanDerWaalsContact O-OG 3.09Å; F114-S117 WeakPolarHBondContact CA-OG 3.21Å; F114-S117 PolarHBondContact O-N 3.49Å; F114-S117 PolarHBondContact O-OG 3.06Å; S117-S120 PolarHBondContact O-N 3.1Å; S117-I121 PolarHBondContact O-N 3.46Å
118E85.1Confident76.9Confident98 Ų98120 Ų12046%0.45860%0.604SS.*Hα-helixtrans-64-46.5177.3-71.1-68.6119.200111.2F114 S120 I121F114-E118 HydrophobicContact CD1-CG 4.27Å; F114-E118 HydrophobicContact CE1-CG 3.79Å; F114-E118 HydrophobicContact CE2-CG 4.13Å; F114-E118 HydrophobicContact CZ-CG 3.7Å; F114-E118 WeakPolarHBondContact O-CG 3.29Å; F114-E118 PolarHBondContact O-N 2.95Å; E118-S120 VanDerWaalsContact C-N 3.26Å; E118-S120 PolarHBondContact O-N 3.45Å; E118-I121 PolarHBondContact O-N 3.4Å
119N76.4Confident74.8Confident118 Ų118120.5 Ų120.563%0.63161%0.612SS**Hα-helixtrans-65.7-26.7177.7-80.712.9000113.2K115 S123K115-N119 WeakPolarHBondContact O-CB 3.13Å; K115-N119 PolarHBondContact O-N 2.87Å; N119-S123 WeakPolarHBondContact O-CB 3.35Å; N119-S123 PolarHBondContact O-N 3.46Å; N119-S123 PolarHBondContact O-OG 3.28Å
120S72.1Confident72.9Confident49 Ų49126.1 Ų126.134%0.34364%0.635SS.*Hα-helixtrans-73.4-25.3177.8-176.80000113.4T116 S117 E118T116-S120 WeakPolarHBondContact O-CB 3.35Å; T116-S120 PolarHBondContact O-N 2.91Å; S117-S120 PolarHBondContact O-N 3.1Å; E118-S120 VanDerWaalsContact C-N 3.26Å; E118-S120 PolarHBondContact O-N 3.45Å
121I64.4Low70.7Confident130 Ų130121.9 Ų121.967%0.66764%0.636SS**Hα-helixtrans-75.5-35.4178.8-72165.4000110.5S117 E118S117-I121 PolarHBondContact O-N 3.46Å; E118-I121 PolarHBondContact O-N 3.4Å
122V60.3Low68Low131 Ų131121.9 Ų121.979%0.79465%0.652SS**Hα-helixtrans-83-20.3-176.2-177.80000113.1
123S57.8Low65.3Low83 Ų83120.1 Ų120.158%0.5866%0.66SS**SBendtrans-104.9-3.6-170.854.30000115.9N119 P125N119-S123 WeakPolarHBondContact O-CB 3.35Å; N119-S123 PolarHBondContact O-N 3.46Å; N119-S123 PolarHBondContact O-OG 3.28Å; S123-P125 WeakPolarHBondContact O-CD 3.4Å
124K59.2Low62.5Low154 Ų154118.6 Ų118.667%0.6767%0.669SS**  trans-101.695.3171-73.6177.6-179.7171.50109.9I126K124-I126 PolarHBondContact O-N 3.21Å
125P58.8Low59.9Low104 Ų104120.3 Ų120.368%0.67568%0.683SS**  trans-61.1115.3165.625.3-30.9000108S123 N127S123-P125 WeakPolarHBondContact O-CD 3.4Å; P125-N127 VanDerWaalsContact C-N 3.31Å; P125-N127 PolarHBondContact O-N 2.91Å
126I56.8Low56.9Low155 Ų155121 Ų12180%0.79570%0.698SS**  trans-63.998167.3-65.9162.6000105.5K124 P128K124-I126 PolarHBondContact O-N 3.21Å; I126-P128 HydrophobicContact CG2-CG 4.4Å; I126-P128 WeakPolarHBondContact O-CD 3.38Å
127N55.7Low54.2Low138 Ų138122 Ų12274%0.73871%0.709SS**  trans-79.4105.2167.4-84.1-35.9000107.9P125 F129P125-N127 VanDerWaalsContact C-N 3.31Å; P125-N127 PolarHBondContact O-N 2.91Å; N127-F129 PolarHBondContact O-N 3.45Å
128P56.2Low51.6Low99 Ų99122.7 Ų122.764%0.64373%0.725SS**THydrogen-bonded Turntrans-81.14.7-174.1-5.325.8000113.4I126I126-P128 HydrophobicContact CG2-CG 4.4Å; I126-P128 WeakPolarHBondContact O-CD 3.38Å
129F48.4Very low48.9Very low196 Ų196125.7 Ų125.786%0.8674%0.739SS**THydrogen-bonded Turntrans-105.417.1-169.5-90.6-79.2000115.7N127N127-F129 PolarHBondContact O-N 3.45Å
130K52Low46.5Very low211 Ų211127.9 Ų127.992%0.91774%0.743SS**  trans-121.766.6167.7-72.3-167.6178.9-170.10111.5
131S47.1Very low44.3Very low111 Ų111132.7 Ų132.778%0.77676%0.758SS**  trans-123.7113.3159.255.10000108.4
132G35.7Very low42.3Very low80 Ų80133.4 Ų133.483%0.82576%0.758SS**  trans162.279.3170.600000115
133A35.1Very low40.7Very low93 Ų93131.9 Ų131.977%0.76975%0.754SS**  trans170.475.4146.400000108.2
134T32.8Very low39.2Very low135 Ų135137.1 Ų137.183%0.82877%0.769SS**  79.194.598.1-49.30000113.7
135L40.1Very low37.7Very low163 Ų163134 Ų13485%0.85377%0.772SS**  trans-10133.6144.3-62.4151.4000117
136T28.2Very low36.3Very low142 Ų142134.3 Ų134.387%0.87178%0.777SS**  trans-145.414113047.60000112.1
137S30.7Very low35Very low115 Ų115131.8 Ų131.880%0.80477%0.773SS**  trans-50.5148-17949.40000117
138G30.1Very low33.8Very low71 Ų71130.8 Ų130.873%0.73278%0.777SS**  trans-79.6164.8173.700000115.8
139Q29.3Very low32.5Very low162 Ų162129.4 Ų129.476%0.75778%0.781SS**  trans-178132.9133.6-104.1-175.645.100111
140K24.9Very low31.6Very low163 Ų163129.2 Ų129.271%0.70978%0.782SS**  trans75.3137.3137.4-74.8176.1-178.9160.50123.6
141K25.6Very low30.8Very low151 Ų151123.5 Ų123.566%0.65777%0.774SS**  trans84.9110.6139.4-83176.9165.2-95.50117.5
142E24Very low30.1Very low144 Ų144124.3 Ų124.367%0.67378%0.78SS**  93.3112.691-90171.4-170.400110
143S25.9Very low30Very low100 Ų100128.3 Ų128.370%0.69978%0.782SS**  79.1112.8119.768.90000114.7
144E25.5Very low29.9Very low192 Ų192128.8 Ų128.890%0.89779%0.786SS**  168.8153.7104.6-90.8-171.2162.300111.6
145A28.9Very low29.8Very low89 Ų89125.8 Ų125.874%0.73678%0.782SS**  trans-62.9154.3179.400000112.6
146S29.3Very low29.9Very low110 Ų110124.4 Ų124.477%0.76978%0.783SS**  173.5134.9108.8-74.10000113.2
147S29.3Very low30Very low102 Ų102121.4 Ų121.471%0.71377%0.772SS**  trans57.9116.7137.668.90000122.1
148S29.8Very low30.6Very low118 Ų118122.3 Ų122.383%0.82578%0.776SS**  69.2130.6124.665.70000120.8
149G29.9Very low30.9Very low70 Ų70123.7 Ų123.772%0.72277%0.774SS**  trans135.287.6145.500000115.9
150E30.3Very low31.9Very low192 Ų192120.9 Ų120.990%0.89777%0.773SS**  trans42.5123140.7-75.4167.4127.800123.7
151A34.3Very low33.2Very low91 Ų91118.1 Ų118.175%0.75277%0.774SS**  53.2118.4128.300000120.9
152S32.9Very low34.7Very low127 Ų127118.9 Ų118.989%0.88878%0.78SS**  173.9153.2104.744.10000113.3
153N33.7Very low36.3Very low164 Ų164116.8 Ų116.888%0.87778%0.781SS**  trans-48.5144.8-175.4-82.1-10.2000117.3
154A32.9Very low38Very low103 Ų103118.5 Ų118.585%0.85178%0.781SS**  154.6129.2110.400000113.7
155G30.4Very low40Very low72 Ų72115 Ų11574%0.74278%0.776SS**  trans106.7136.5152.700000117.4A157G155-A157 PolarHBondContact O-N 3.07Å
156P40.9Very low42Very low135 Ų135112.7 Ų112.788%0.87775%0.754SS**  trans-89.3111.2-158.635-30.9000112.3
157A30.2Very low43.9Very low78 Ų78114 Ų11465%0.64575%0.746SS**  trans-89.1139.215600000108.1G155 S159G155-A157 PolarHBondContact O-N 3.07Å; A157-S159 PolarHBondContact O-N 2.99Å
158P43.9Very low46.2Very low135 Ų135120.1 Ų120.188%0.87775%0.753SS**  trans-72.176.1169.932.4-32000107.1S160P158-S160 PolarHBondContact O-N 2.72Å; P158-S160 VanDerWaalsContact O-N 3.1Å
159S36.9Very low48.5Very low100 Ų100118 Ų11870%0.69973%0.732SS**  trans-61.3116.3163.4520000105A157 S161A157-S159 PolarHBondContact O-N 2.99Å; S159-S161 PolarHBondContact O-N 3.36Å
160S50.9Low50.5Low103 Ų103120.1 Ų120.172%0.7273%0.733SS**  trans-50.198.2163.352.50000106.2P158 Q162P158-S160 PolarHBondContact O-N 2.72Å; P158-S160 VanDerWaalsContact O-N 3.1Å; S160-Q162 PolarHBondContact O-N 2.88Å
161S50.9Low52.6Low105 Ų105115.9 Ų115.973%0.73473%0.725SS**  trans-6393.7169.944.80000104.4S159 S163S159-S161 PolarHBondContact O-N 3.36Å; S161-S163 PolarHBondContact O-N 2.91Å
162Q58.6Low54.4Low167 Ų167115.7 Ų115.778%0.7871%0.711SS**  trans-56.197.9164.7-74.6-179.6-24.100104.3S160 L164S160-Q162 PolarHBondContact O-N 2.88Å; Q162-L164 PolarHBondContact O-N 3.27Å
163S56.7Low56.2Low100 Ų100112.3 Ų112.370%0.69969%0.685SS**  trans-67.190.2-179.560.20000106.3S161 P165S161-S163 PolarHBondContact O-N 2.91Å; S163-P165 WeakPolarHBondContact O-CD 3.24Å
164L62Low58Low135 Ų135109.5 Ų109.571%0.70768%0.675SS**  trans-62.6122.9170.7-69.7167.5000106.1Q162 S166Q162-L164 PolarHBondContact O-N 3.27Å; L164-S166 PolarHBondContact O-N 2.96Å
165P66.2Low59.8Low120 Ų120113.4 Ų113.478%0.77968%0.676SS**  trans-71.683.617928.8-32.3000108.2S163 F167S163-P165 WeakPolarHBondContact O-CD 3.24Å; P165-F167 PolarHBondContact O-N 3.49Å
166S71.8Confident61.8Low39 Ų39114.5 Ų114.527%0.27368%0.678SS.*  trans-80.997.7174.644.10000108.6L164 W168 I169 L172L164-S166 PolarHBondContact O-N 2.96Å; S166-W168 PolarHBondContact O-N 3.26Å; S166-I169 PolarHBondContact O-N 3.1Å; S166-I169 WeakPolarHBondContact OG-CD1 3.39Å; S166-I169 WeakPolarHBondContact OG-CG1 3.39Å; S166-L172 WeakPolarHBondContact OG-CD1 3.45Å
167F68.6Low63.2Low138 Ų138117.2 Ų117.261%0.60568%0.676SS**THydrogen-bonded Turntrans-53.2-22.8176.4-179-97.8000113.9P165 T173P165-F167 PolarHBondContact O-N 3.49Å; F167-T173 WeakPolarHBondContact O-CG2 3.43Å
168W79.2Confident65Low230 Ų230117.9 Ų117.987%0.87167%0.674SS**THydrogen-bonded Turntrans-86.7-4.2-179.1-66.2105.5000114.7S166 P170S166-W168 PolarHBondContact O-N 3.26Å; W168-P170 WeakPolarHBondContact O-CD 3.36Å
169I76.5Confident66.5Low74 Ų74117.1 Ų117.138%0.37967%0.667SS.*SBendtrans-95.5114.8176.3-60.1-170.4000108.5S166 S171 L172 T173S166-I169 PolarHBondContact O-N 3.1Å; S166-I169 WeakPolarHBondContact OG-CD1 3.39Å; S166-I169 WeakPolarHBondContact OG-CG1 3.39Å; I169-S171 VanDerWaalsContact CG2-OG 3.31Å; I169-S171 WeakPolarHBondContact CG2-OG 3.31Å; I169-S171 PolarHBondContact O-N 3.34Å; I169-L172 HydrophobicContact CB-CB 4.26Å; I169-L172 HydrophobicContact CB-CD1 4.26Å; I169-L172 HydrophobicContact CB-CG 4.39Å; I169-L172 HydrophobicContact CD1-CD1 4.22Å; I169-L172 HydrophobicContact CG2-CB 4.47Å; I169-L172 HydrophobicContact CG2-CD1 4.27Å; I169-L172 HydrophobicContact CG2-CG 4.19Å; I169-L172 CarbonylContact O-C 3.58Å; I169-L172 PolarHBondContact O-N 2.82Å; I169-T173 PolarHBondContact O-N 2.84Å; I169-T173 VanDerWaalsContact O-N 3.11Å
170P72.8Confident68.4Low115 Ų115118.4 Ų118.475%0.74767%0.665SS**THydrogen-bonded Turntrans-58.3-17.4-175.6-28.336.1000116.4W168 T173W168-P170 WeakPolarHBondContact O-CD 3.36Å; P170-T173 PolarHBondContact O-OG1 2.87Å
171S74.4Confident69.8Low103 Ų103117.4 Ų117.472%0.7265%0.652SS**THydrogen-bonded Turntrans-90.6-11.9174.952.70000114.1I169I169-S171 VanDerWaalsContact CG2-OG 3.31Å; I169-S171 WeakPolarHBondContact CG2-OG 3.31Å; I169-S171 PolarHBondContact O-N 3.34Å
172L71.6Confident71.3Confident87 Ų87121.5 Ų121.546%0.45566%0.656SS.*THydrogen-bonded Turntrans-114.51.9178.5-61.3176.7000112.3S166 I169S166-L172 WeakPolarHBondContact OG-CD1 3.45Å; I169-L172 HydrophobicContact CB-CB 4.26Å; I169-L172 HydrophobicContact CB-CD1 4.26Å; I169-L172 HydrophobicContact CB-CG 4.39Å; I169-L172 HydrophobicContact CD1-CD1 4.22Å; I169-L172 HydrophobicContact CG2-CB 4.47Å; I169-L172 HydrophobicContact CG2-CD1 4.27Å; I169-L172 HydrophobicContact CG2-CG 4.19Å; I169-L172 CarbonylContact O-C 3.58Å; I169-L172 PolarHBondContact O-N 2.82Å
173T71.9Confident72.8Confident55 Ų55120.3 Ų120.334%0.33765%0.648SS.*SBendtrans-66.3128.8169.941.70000108.9F167 I169 P170 E175F167-T173 WeakPolarHBondContact O-CG2 3.43Å; I169-T173 PolarHBondContact O-N 2.84Å; I169-T173 VanDerWaalsContact O-N 3.11Å; P170-T173 PolarHBondContact O-OG1 2.87Å; T173-E175 PolarHBondContact O-N 3.2Å
174P70.4Confident74.3Confident105 Ų105116.8 Ų116.868%0.68262%0.623SS**PPolyproline II helixtrans-61.5116.8173.824.7-31.8000108.5A176P174-A176 PolarHBondContact O-N 2.73Å
175E71.1Confident75.5Confident185 Ų185114 Ų11486%0.86461%0.614SS**PPolyproline II helixtrans-56.4125.8173.7-71.3-171.9162.700109T173 K177T173-E175 PolarHBondContact O-N 3.2Å; E175-K177 PolarHBondContact O-N 3.09Å; E175-K177 VanDerWaalsContact O-N 3.1Å
176A72.6Confident76.5Confident95 Ų95115.8 Ų115.879%0.78561%0.61SS**PPolyproline II helixtrans-60.6119.4176.800000108.6P174P174-A176 PolarHBondContact O-N 2.73Å
177K70.1Confident77.4Confident192 Ų192116 Ų11684%0.83561%0.614SS**PPolyproline II helixtrans-52.1129.6175.4-67.9-179.3-178.4178.10108.3E175 T179E175-K177 PolarHBondContact O-N 3.09Å; E175-K177 VanDerWaalsContact O-N 3.1Å; K177-T179 PolarHBondContact O-N 3.38Å
178P68.8Low78.6Confident92 Ų92109.8 Ų109.860%0.59759%0.588SS**PPolyproline II helixtrans-56.6131.4-176.922.6-33.1000109.4L180P178-L180 PolarHBondContact O-N 3.29Å
179T74.4Confident79.3Confident120 Ų120102.1 Ų102.174%0.73656%0.563SS**  trans-57114.7-177.9440000109.8Q91 K177 L181Q91-T179 PolarHBondContact NE2-O 3.31Å; K177-T179 PolarHBondContact O-N 3.38Å; T179-L181 PolarHBondContact O-N 3.06Å
180L77.2Confident79.9Confident127 Ų12798.8 Ų98.867%0.66555%0.547SS*.  trans-65.9106.9179.2-64.8177000109.1L95 P178 K182L95-L180 HydrophobicContact CD1-CD2 3.52Å; L95-L180 HydrophobicContact CD2-CD2 4.27Å; P178-L180 PolarHBondContact O-N 3.29Å; L180-K182 PolarHBondContact O-N 3.16Å
181L79.3Confident80.7Confident82 Ų8295.6 Ų95.643%0.42953%0.526SS..PPolyproline II helixtrans-65.2129.8175.9-61.1174.7000108A87 Y88 Q91 T179A87-L181 HydrophobicContact CB-CD1 4.12Å; Y88-L181 HydrophobicContact CD2-CB 4.17Å; Y88-L181 WeakPolarHBondContact CD2-O 3.49Å; Y88-L181 WeakPolarHBondContact CE2-O 3.2Å; Q91-L181 VanDerWaalsContact OE1-CG 3.23Å; T179-L181 PolarHBondContact O-N 3.06Å
182K84.1Confident81.4Confident191 Ų19195 Ų9583%0.8351%0.513SS*.PPolyproline II helixtrans-73.4150171.4-66.9-179-178.5177.30109.2L180 P184L180-K182 PolarHBondContact O-N 3.16Å; K182-P184 WeakPolarHBondContact O-CD 3.33Å; K182-P184 VanDerWaalsContact O-N 3.1Å
183K88.4Confident82.2Confident142 Ų14292.5 Ų92.562%0.61750%0.503SS*.PPolyproline II helixtrans-57.2116.7175.6-175.6178.6178.8-177.30109.1Y88Y88-K183 HydrophobicContact CD1-CG 4.5Å; Y88-K183 HydrophobicContact CE1-CB 4Å; Y88-K183 HydrophobicContact CE1-CG 4.04Å; Y88-K183 HydrophobicContact CE2-CB 4.32Å
184P88.2Confident83Confident25 Ų2592.1 Ų92.116%0.16251%0.509CS..PPolyproline II helixtrans-62.5146.8176.6-11.721.4000110.8K84 M85 K182K84-P184 HydrophobicContact CB-CB 4.19Å; K84-P184 HydrophobicContact CB-CG 3.79Å; M85-P184 HydrophobicContact CG-CB 4.26Å; M85-P184 HydrophobicContact CG-CG 4.06Å; M85-P184 HydrophobicContact SD-CB 3.85Å; M85-P184 VanDerWaalsContact SD-CD 3.54Å; M85-P184 HydrophobicContact SD-CG 3.63Å; K182-P184 WeakPolarHBondContact O-CD 3.33Å; K182-P184 VanDerWaalsContact O-N 3.1Å
185S87.6Confident84Confident76 Ų7694.3 Ų94.353%0.53150%0.504SS..PPolyproline II helixtrans-69.7142.3168.756.70000110I81I81-S185 WeakPolarHBondContact CG2-O 3.2Å
186K87.5Confident85.1Confident158 Ų15889.9 Ų89.969%0.68749%0.491SS*.  trans-85.7-16.6177.7-67.1-174.3177.1-1740113.3
187A91.4Very high86Confident44 Ų4485.9 Ų85.936%0.36446%0.457SS..SBendtrans-82.7133.5-177.400000110.6P196A187-P196 HydrophobicContact CB-CB 3.94Å
188V92.8Very high87Confident8 Ų883.7 Ų83.75%0.04845%0.447CS..PPolyproline II helixtrans-73.9132.7166.21760000107.5Y73 I74 Q77 K78 I81 P196 I197Y73-V188 HydrophobicContact CE1-CG1 4.2Å; I74-V188 HydrophobicContact CG1-CG1 4.15Å; Q77-V188 HydrophobicContact CB-CG1 3.99Å; Q77-V188 HydrophobicContact CB-CG2 4.2Å; Q77-V188 HydrophobicContact CG-CB 4.37Å; Q77-V188 HydrophobicContact CG-CG1 3.96Å; Q77-V188 HydrophobicContact CG-CG2 4.12Å; K78-V188 HydrophobicContact CG-CG2 3.73Å; I81-V188 HydrophobicContact CD1-CG2 4.28Å; V188-P196 CarbonylContact O-C 3.54Å; V188-P196 VanDerWaalsContact O-CA 3.29Å; V188-P196 WeakPolarHBondContact O-CA 3.46Å; V188-I197 HydrophobicContact CG1-CG2 4.05Å; V188-I197 PolarHBondContact O-N 3.25Å
189L93.3Very high88Confident68 Ų6884.6 Ų84.636%0.35645%0.445SS..BIsolated β-bridgetrans-99.9147.5179.8-55.5-179.3000109.7Y73 R195 P196Y73-L189 VanDerWaalsContact CE1-O 3.31Å; Y73-L189 WeakPolarHBondContact CE1-O 3.5Å; Y73-L189 PolarHBondContact OH-O 3.26Å; L189-R195 CarbonylContact C-O 3.56Å; L189-R195 WeakPolarHBondContact CA-O 3.31Å; L189-P196 HydrophobicContact CD2-CB 4.47Å
190C91Very high88.7Confident4 Ų486 Ų863%0.02745%0.448CS..PPolyproline II helixtrans-64.7134.5171.3177.90000109.6Y65 M192 S193 G194 R195Y65-C190 PolarHBondContact OH-SG 2.98Å; Y65-C190 VanDerWaalsContact OH-SG 3.35Å; C190-M192 PolarHBondContact O-N 3.21Å; C190-S193 WeakPolarHBondContact CB-OG 3.49Å; C190-S193 PolarHBondContact SG-OG 2.88Å; C190-S193 VanDerWaalsContact SG-OG 3.37Å; C190-G194 WeakPolarHBondContact O-CA 3.39Å; C190-G194 PolarHBondContact O-N 3.27Å; C190-R195 WeakPolarHBondContact CB-O 3.22Å; C190-R195 PolarHBondContact N-O 2.91Å
191P89.7Confident89.4Confident48 Ų4882.9 Ų82.931%0.31243%0.432SS..THydrogen-bonded Turntrans-66.2-25.1-17725-32.2000112.8L48 Y65 Y73L48-P191 HydrophobicContact CD2-CB 4.09Å; L48-P191 HydrophobicContact CD2-CG 3.86Å; L48-P191 HydrophobicContact CG-CG 4.44Å; Y65-P191 HydrophobicContact CE1-CG 3.86Å; Y65-P191 WeakPolarHBondContact OH-CG 3.48Å; Y73-P191 HydrophobicContact CE1-CB 4.44Å; Y73-P191 HydrophobicContact CE1-CG 4.27Å; Y73-P191 HydrophobicContact CE2-CB 4.32Å
192M88.9Confident90.1Very high92 Ų9280.1 Ų80.145%0.45342%0.417SS..THydrogen-bonded Turntrans-98-45.9179.3-63.4-63.7-72.700113C47 Y63 Y65 C190C47-M192 HydrophobicContact CB-CG 3.99Å; C47-M192 HydrophobicContact CB-SD 4.49Å; Y63-M192 HydrophobicContact CD1-CB 3.57Å; Y63-M192 HydrophobicContact CD1-CE 4.48Å; Y63-M192 HydrophobicContact CD1-CG 3.9Å; Y63-M192 HydrophobicContact CD2-CB 4.16Å; Y63-M192 HydrophobicContact CE1-CB 3.54Å; Y63-M192 HydrophobicContact CE1-CE 4.19Å; Y63-M192 HydrophobicContact CE1-CG 4.18Å; Y63-M192 HydrophobicContact CE2-CB 4.16Å; Y63-M192 HydrophobicContact CG-CB 3.88Å; Y63-M192 HydrophobicContact CG-CG 4.38Å; Y65-M192 WeakPolarHBondContact OH-CB 3.48Å; Y65-M192 WeakPolarHBondContact OH-CG 3.4Å; C190-M192 PolarHBondContact O-N 3.21Å
193S87.4Confident90.6Very high34 Ų3471.6 Ų71.624%0.23838%0.381CS..THydrogen-bonded Turntrans-91.4-16.7-173.772.30000114.6D61 C190 R195D61-S193 WeakPolarHBondContact OD2-CB 3.33Å; D61-S193 PolarHBondContact OD2-OG 3.33Å; C190-S193 WeakPolarHBondContact CB-OG 3.49Å; C190-S193 PolarHBondContact SG-OG 2.88Å; C190-S193 VanDerWaalsContact SG-OG 3.37Å; S193-R195 PolarHBondContact O-N 3.27Å; S193-R195 VanDerWaalsContact O-N 3.1Å; S193-R195 PolarHBondContact OG-N 2.8Å
194G89.6Confident90.9Very high46 Ų4668.8 Ų68.847%0.47438%0.377SS..  trans66.43.7-173.400000114.6C190C190-G194 WeakPolarHBondContact O-CA 3.39Å; C190-G194 PolarHBondContact O-N 3.27Å
195R91.1Very high91.2Very high151 Ų15167.9 Ų67.957%0.5737%0.371SS*.SBendtrans-82.7152.3176.8-65.5-175.5-175.4172.4-2.4111.2D61 L189 C190 S193 I197D61-R195 WeakPolarHBondContact OD1-CD 3.43Å; D61-R195 IonicContact OD1-CZ 2.79Å; D61-R195 IonicContact OD1-NE 2.92Å; D61-R195 IonicContact OD1-NH1 3.57Å; D61-R195 PolarHBondContact OD1-NH1 3.02Å; D61-R195 WeakPolarHBondContact OD2-CD 3.29Å; L189-R195 CarbonylContact C-O 3.56Å; L189-R195 WeakPolarHBondContact CA-O 3.31Å; C190-R195 WeakPolarHBondContact CB-O 3.22Å; C190-R195 PolarHBondContact N-O 2.91Å; S193-R195 PolarHBondContact O-N 3.27Å; S193-R195 VanDerWaalsContact O-N 3.1Å; S193-R195 PolarHBondContact OG-N 2.8Å; R195-I197 PolarHBondContact O-N 3.26Å
196P92.9Very high91.5Very high92 Ų9268.7 Ų68.760%0.59737%0.369SS*.BIsolated β-bridgetrans-65135.2178.328.2-35.2000111.1A187 V188 L189A187-P196 HydrophobicContact CB-CB 3.94Å; V188-P196 CarbonylContact O-C 3.54Å; V188-P196 VanDerWaalsContact O-CA 3.29Å; V188-P196 WeakPolarHBondContact O-CA 3.46Å; L189-P196 HydrophobicContact CD2-CB 4.47Å
197I92.8Very high91.7Very high12 Ų1262.5 Ų62.56%0.06234%0.342CS..  trans-127.2138.9-178.6-169.9170.8000111.5T59 V188 R195 L202T59-I197 HydrophobicContact CG2-CD1 3.4Å; T59-I197 VanDerWaalsContact CG2-CD1 3.4Å; V188-I197 HydrophobicContact CG1-CG2 4.05Å; V188-I197 PolarHBondContact O-N 3.25Å; R195-I197 PolarHBondContact O-N 3.26Å; I197-L202 HydrophobicContact CD1-CD2 3.75Å
198K90.9Very high91.7Very high145 Ų14563 Ų6363%0.6334%0.341SS*.  trans-117.3161.5170.1-55.8174.2-175.3170.40110.6N200 D201K198-N200 VanDerWaalsContact C-N 3.27Å; K198-N200 PolarHBondContact O-N 2.85Å; K198-D201 VanDerWaalsContact CB-OD2 3.29Å; K198-D201 WeakPolarHBondContact CB-OD2 3.4Å; K198-D201 PolarHBondContact N-OD2 2.78Å; K198-D201 VanDerWaalsContact N-OD2 3.09Å; K198-D201 PolarHBondContact O-N 3.29Å; K198-D201 VanDerWaalsContact O-N 3.14Å
199M89.3Confident91.5Very high112 Ų11266.7 Ų66.755%0.55237%0.365SS*.G310 helixtrans-60.3-37.3176.9-178.1172.6177.500112.6L71 D201 L202L71-M199 HydrophobicContact CD2-CE 3.99Å; L71-M199 HydrophobicContact CD2-CG 3.9Å; L71-M199 HydrophobicContact CD2-SD 3.94Å; M199-D201 PolarHBondContact O-N 2.81Å; M199-L202 WeakPolarHBondContact O-CB 3.4Å; M199-L202 PolarHBondContact O-N 3.07Å
200N90.1Very high91.2Very high150 Ų15067.1 Ų67.180%0.80237%0.368SS*.G310 helixtrans-73.4-16.3180-60.9-1.8000113.1K198 L202K198-N200 VanDerWaalsContact C-N 3.27Å; K198-N200 PolarHBondContact O-N 2.85Å; N200-L202 VanDerWaalsContact C-N 3.26Å
201D90.4Very high90.6Very high60 Ų6070.6 Ų70.632%0.32139%0.386SS..G310 helixtrans-84.1-8.6179.3-53.2-26.9000111.2P60 K198 M199P60-D201 WeakPolarHBondContact CD-O 3.43Å; P60-D201 HydrophobicContact CG-CB 4.1Å; K198-D201 VanDerWaalsContact CB-OD2 3.29Å; K198-D201 WeakPolarHBondContact CB-OD2 3.4Å; K198-D201 PolarHBondContact N-OD2 2.78Å; K198-D201 VanDerWaalsContact N-OD2 3.09Å; K198-D201 PolarHBondContact O-N 3.29Å; K198-D201 VanDerWaalsContact O-N 3.14Å; M199-D201 PolarHBondContact O-N 2.81Å
202L93.8Very high89.7Confident24 Ų2474 Ų7413%0.12641%0.408CS..  trans-78.9126.9176.2-64.4173.3000110.1V57 T59 I70 L71 I74 I197 M199 N200V57-L202 HydrophobicContact CB-CB 4.43Å; V57-L202 HydrophobicContact CG2-CD2 4.38Å; T59-L202 HydrophobicContact CG2-CD2 4.07Å; I70-L202 HydrophobicContact CG1-CD1 4.33Å; I70-L202 HydrophobicContact CG1-CD2 4.23Å; I70-L202 HydrophobicContact CG2-CD1 3.8Å; I70-L202 HydrophobicContact CG2-CD2 4.49Å; L71-L202 HydrophobicContact CD2-CD1 4.42Å; I74-L202 HydrophobicContact CD1-CD1 4.27Å; I197-L202 HydrophobicContact CD1-CD2 3.75Å; M199-L202 WeakPolarHBondContact O-CB 3.4Å; M199-L202 PolarHBondContact O-N 3.07Å; N200-L202 VanDerWaalsContact C-N 3.26Å
203I94.9Very high88.8Confident12 Ų1274.7 Ų74.76%0.06242%0.422CS..EExtended strand (participates in β ladder)trans-109.3124.1-176.6-64154.9000108.1V57 V58 R245 I279V57-I203 CarbonylContact C-O 3.59Å; V57-I203 VanDerWaalsContact CA-O 3.29Å; V57-I203 WeakPolarHBondContact CA-O 3.47Å; V58-I203 PolarHBondContact N-O 3.21Å; V58-I203 PolarHBondContact O-N 3.23Å; I203-R245 HydrophobicContact CD1-CB 4.21Å; I203-R245 HydrophobicContact CD1-CG 3.77Å; I203-R245 HydrophobicContact CG1-CG 4.08Å; I203-R245 HydrophobicContact CG2-CG 4.45Å; I203-I279 HydrophobicContact CD1-CD1 3.11Å
204P95.4Very high87.7Confident83 Ų8377.8 Ų77.854%0.53944%0.435SS..EExtended strand (participates in β ladder)trans-66.2140.7176.529.5-33.8000110.2G248P204-G248 WeakPolarHBondContact O-CA 3.39Å
205V95Very high86.3Confident6 Ų680.9 Ų80.94%0.03644%0.441CS..  trans-111.5135.5178.9-178.90000109.9P56 V58 L64 F207 V243 G248 V250P56-V205 HydrophobicContact CB-CB 4.07Å; P56-V205 HydrophobicContact CG-CB 4.05Å; P56-V205 WeakPolarHBondContact CG-O 3.47Å; P56-V205 PolarHBondContact O-N 2.97Å; V58-V205 HydrophobicContact CB-CG2 3.79Å; V58-V205 HydrophobicContact CG2-CG2 3.38Å; L64-V205 HydrophobicContact CD1-CG2 4.42Å; V205-F207 HydrophobicContact CG1-CD2 4.15Å; V205-F207 HydrophobicContact CG1-CE2 3.91Å; V205-F207 HydrophobicContact CG1-CZ 4.14Å; V205-V243 HydrophobicContact CG1-CG2 4.27Å; V205-V243 HydrophobicContact CG2-CG1 4.13Å; V205-V243 HydrophobicContact CG2-CG2 4.07Å; V205-G248 CarbonylContact C-O 3.53Å; V205-G248 VanDerWaalsContact CA-O 3.31Å; V205-G248 WeakPolarHBondContact CA-O 3.44Å; V205-V250 HydrophobicContact CG1-CG2 3.3Å
206N93.2Very high84.6Confident93 Ų9384 Ų8450%0.49745%0.453SS..BIsolated β-bridgetrans-115.2103.2176.3-63.2-35.5000108.3S247 G248N206-S247 PolarHBondContact ND2-O 3.17Å; N206-G248 PolarHBondContact N-O 3.47Å
207F91.9Very high82.6Confident28 Ų2883.6 Ų83.612%0.12345%0.448CS..  trans-78.5136.4171.6-70.8-79.8000110.1F43 D44 P56 L64 V205 P209 Y226 V250F43-F207 HydrophobicContact CD2-CE1 4.1Å; F43-F207 HydrophobicContact CE2-CD1 4.32Å; F43-F207 AromaticContact CE2-CE1 3.83Å; F43-F207 HydrophobicContact CE2-CE1 3.83Å; D44-F207 HydrophobicContact CB-CZ 4.4Å; P56-F207 HydrophobicContact CB-CE2 3.95Å; P56-F207 HydrophobicContact CG-CD2 3.77Å; P56-F207 HydrophobicContact CG-CE2 3.71Å; L64-F207 HydrophobicContact CD1-CE2 4.5Å; L64-F207 HydrophobicContact CD2-CE2 4.4Å; L64-F207 HydrophobicContact CD2-CZ 4.19Å; V205-F207 HydrophobicContact CG1-CD2 4.15Å; V205-F207 HydrophobicContact CG1-CE2 3.91Å; V205-F207 HydrophobicContact CG1-CZ 4.14Å; F207-P209 WeakPolarHBondContact O-CD 3.42Å; F207-Y226 HydrophobicContact CB-CD1 3.39Å; F207-Y226 HydrophobicContact CB-CD2 4.29Å; F207-Y226 HydrophobicContact CB-CE1 3.55Å; F207-Y226 HydrophobicContact CB-CE2 4.42Å; F207-Y226 HydrophobicContact CB-CG 3.78Å; F207-Y226 HydrophobicContact CD1-CD2 4.12Å; F207-Y226 HydrophobicContact CD1-CG 4.05Å; F207-Y226 HydrophobicContact CG-CD1 4.17Å; F207-Y226 HydrophobicContact CG-CD2 4.19Å; F207-Y226 HydrophobicContact CG-CE1 4.3Å; F207-Y226 HydrophobicContact CG-CE2 4.33Å; F207-Y226 HydrophobicContact CG-CG 4.1Å; F207-V250 HydrophobicContact CD1-CB 4.21Å; F207-V250 HydrophobicContact CD1-CG2 3.63Å; F207-V250 HydrophobicContact CE1-CB 4.29Å; F207-V250 HydrophobicContact CE1-CG1 4.26Å; F207-V250 HydrophobicContact CE1-CG2 3.61Å; F207-V250 HydrophobicContact CG-CG2 4.27Å; F207-V250 HydrophobicContact CZ-CG2 4.22Å
208T91.3Very high80.5Confident55 Ų5586.7 Ų86.734%0.33748%0.476SS..EExtended strand (participates in β ladder)trans-86.7115.5172.5-54.20000108.2Y226 V227T208-Y226 WeakPolarHBondContact O-CA 3.48Å; T208-V227 HydrophobicContact CG2-CG2 3.82Å; T208-V227 PolarHBondContact O-N 2.8Å
209P89.8Confident78.6Confident85 Ų8585.9 Ų85.955%0.55248%0.477SS*.EExtended strand (participates in β ladder)trans-66.3148.1178.328.7-34000110.6F207F207-P209 WeakPolarHBondContact O-CD 3.42Å
210L86.5Confident76.6Confident78 Ų7887.7 Ų87.741%0.40849%0.489SS..PPolyproline II helixtrans-69.9135.5169.8-179.665.6000109.7P212 E224 R225 V227L210-P212 WeakPolarHBondContact O-CD 3.45Å; L210-E224 WeakPolarHBondContact CD2-O 3.45Å; L210-R225 PolarHBondContact N-O 2.88Å; L210-V227 HydrophobicContact CB-CG1 4.09Å; L210-V227 HydrophobicContact CD1-CG1 3.42Å; L210-V227 VanDerWaalsContact CD1-CG1 3.42Å; L210-V227 HydrophobicContact CG-CG1 4.32Å
211D78Confident74.7Confident76 Ų7687.7 Ų87.741%0.40649%0.489SS..PPolyproline II helixtrans-65.9121.6175.6-74.1-38.1000110.3S213 L214D211-S213 PolarHBondContact O-N 3.34Å; D211-S213 VanDerWaalsContact O-N 3.15Å; D211-L214 HydrophobicContact CB-CD1 4.21Å; D211-L214 HydrophobicContact CB-CG 4.36Å; D211-L214 PolarHBondContact O-N 3.08Å
212P71.1Confident73Confident121 Ų12193.3 Ų93.379%0.78651%0.506SS*.G310 helixtrans-68.5-14.5-177.928.1-35.2000113.2L210L210-P212 WeakPolarHBondContact O-CD 3.45Å
213S70.3Confident71.6Confident105 Ų10597.4 Ų97.473%0.73452%0.524SS*.G310 helixtrans-81-17.6179.6560000113.8D211 D215D211-S213 PolarHBondContact O-N 3.34Å; D211-S213 VanDerWaalsContact O-N 3.15Å; S213-D215 VanDerWaalsContact C-N 3.32Å
214L63.7Low70.5Confident100 Ų100100.7 Ų100.752%0.52454%0.539SS..G310 helixtrans-97.221.9-178.6-67.2175.9000112.6D211 R216D211-L214 HydrophobicContact CB-CD1 4.21Å; D211-L214 HydrophobicContact CB-CG 4.36Å; D211-L214 PolarHBondContact O-N 3.08Å; L214-R216 PolarHBondContact O-N 3.43Å
215D60.1Low69.9Low111 Ų111101.5 Ų101.559%0.59453%0.531SS*.  trans-69.564.1178.2-159.115.2000111.1S213 V217S213-D215 VanDerWaalsContact C-N 3.32Å; D215-V217 VanDerWaalsContact C-N 3.25Å; D215-V217 PolarHBondContact O-N 3.42Å
216R54.7Low69.7Low216 Ų216103.5 Ų103.582%0.81554%0.538SS*.THydrogen-bonded Turntrans-69.495.9163.5-90.1-174.4-90.5-146.3-4.5106L214L214-R216 PolarHBondContact O-N 3.43Å
217V50.6Low69.6Low83 Ų8399.6 Ų99.650%0.50352%0.518SS..THydrogen-bonded Turntrans87.876164.1-161.20000113.6D215 L219D215-V217 VanDerWaalsContact C-N 3.25Å; D215-V217 PolarHBondContact O-N 3.42Å; V217-L219 HydrophobicContact CG1-CB 3.8Å; V217-L219 HydrophobicContact CG1-CD1 3.17Å; V217-L219 HydrophobicContact CG1-CG 3.98Å; V217-L219 PolarHBondContact O-N 3.13Å
218A49.8Very low69.6Low78 Ų7898.2 Ų98.265%0.64551%0.512SS*.  trans-61.352.5153.600000112.4L220A218-L220 PolarHBondContact O-N 3.26Å
219L50.9Low69.6Low127 Ų12796.7 Ų96.767%0.66551%0.505SS*.  trans-87.8101.6162.8-95.783.3000108.1V217V217-L219 HydrophobicContact CG1-CB 3.8Å; V217-L219 HydrophobicContact CG1-CD1 3.17Å; V217-L219 HydrophobicContact CG1-CG 3.98Å; V217-L219 PolarHBondContact O-N 3.13Å
220L47.1Very low69.7Low150 Ų15095.1 Ų95.179%0.78549%0.493SS*.SBendtrans44.499.3154.3-82.565.5000116.1A218A218-L220 PolarHBondContact O-N 3.26Å
221N49.8Very low69.7Low151 Ų15194 Ų9481%0.80749%0.49SS*.  trans85.420.8159.3-51.7-37.2000119.6Q223N221-Q223 PolarHBondContact O-N 2.83Å; N221-Q223 VanDerWaalsContact O-N 3.15Å
222R54.9Low70.3Confident178 Ų17898.8 Ų98.867%0.67250%0.502SS*.  trans-76.4102.6167.3-78.1-167.3161.4111.3-0.1111.2E224R222-E224 IonicContact NE-OE1 3.79Å; R222-E224 IonicContact NE-OE2 3.97Å; R222-E224 PolarHBondContact O-N 2.78Å
223Q64.3Low71.1Confident110 Ų11097.1 Ų97.151%0.51449%0.487SS..  trans-84.829.2171.8-63.6169.6-35.600111.7N221 R225N221-Q223 PolarHBondContact O-N 2.83Å; N221-Q223 VanDerWaalsContact O-N 3.15Å; Q223-R225 PolarHBondContact O-N 3.42Å; Q223-R225 VanDerWaalsContact O-N 3.12Å
224E71.7Confident72Confident81 Ų8193.9 Ų93.938%0.37947%0.466SS..  trans-84.688.1-174.4-70169.4-164.700109.2L210 R222 A234L210-E224 WeakPolarHBondContact CD2-O 3.45Å; R222-E224 IonicContact NE-OE1 3.79Å; R222-E224 IonicContact NE-OE2 3.97Å; R222-E224 PolarHBondContact O-N 2.78Å; E224-A234 HydrophobicContact CB-CB 4.24Å; E224-A234 HydrophobicContact CG-CB 4.21Å; E224-A234 WeakPolarHBondContact OE2-CB 3.25Å
225R83.8Confident73.2Confident100 Ų10089.1 Ų89.138%0.37744%0.442SS..  trans-79.4-26.2-176.3-68.1-174.5-80.4-107.1-2.1114.3D44 L210 Q223D44-R225 IonicContact OD1-CZ 3.99Å; D44-R225 IonicContact OD1-NH2 2.73Å; D44-R225 PolarHBondContact OD1-NH2 3.3Å; D44-R225 IonicContact OD2-CZ 3.07Å; D44-R225 IonicContact OD2-NE 2.75Å; D44-R225 PolarHBondContact OD2-NE 2.97Å; D44-R225 IonicContact OD2-NH2 3.82Å; D44-R225 PolarHBondContact OD2-NH2 3.3Å; L210-R225 PolarHBondContact N-O 2.88Å; Q223-R225 PolarHBondContact O-N 3.42Å; Q223-R225 VanDerWaalsContact O-N 3.12Å
226Y89.8Confident74.4Confident47 Ų4784.6 Ų84.618%0.18442%0.421CS..EExtended strand (participates in β ladder)trans-132.7152.1-167-58-65.2000112.2F43 D44 F207 T208 L235F43-Y226 HydrophobicContact CE2-CD2 4.09Å; F43-Y226 AromaticContact CZ-CD2 3.86Å; F43-Y226 HydrophobicContact CZ-CD2 3.86Å; D44-Y226 HydrophobicContact CB-CD2 4.06Å; D44-Y226 HydrophobicContact CB-CE2 3.74Å; D44-Y226 WeakPolarHBondContact OD2-CE2 3.44Å; F207-Y226 HydrophobicContact CB-CD1 3.39Å; F207-Y226 HydrophobicContact CB-CD2 4.29Å; F207-Y226 HydrophobicContact CB-CE1 3.55Å; F207-Y226 HydrophobicContact CB-CE2 4.42Å; F207-Y226 HydrophobicContact CB-CG 3.78Å; F207-Y226 HydrophobicContact CD1-CD2 4.12Å; F207-Y226 HydrophobicContact CD1-CG 4.05Å; F207-Y226 HydrophobicContact CG-CD1 4.17Å; F207-Y226 HydrophobicContact CG-CD2 4.19Å; F207-Y226 HydrophobicContact CG-CE1 4.3Å; F207-Y226 HydrophobicContact CG-CE2 4.33Å; F207-Y226 HydrophobicContact CG-CG 4.1Å; T208-Y226 WeakPolarHBondContact O-CA 3.48Å; Y226-L235 WeakPolarHBondContact O-CB 3.22Å; Y226-L235 PolarHBondContact O-N 2.91Å
227V92.1Very high75.9Confident11 Ų1175.9 Ų75.97%0.06739%0.391CS..EExtended strand (participates in β ladder)trans-122.8157.5178.5-65.90000111.7T208 L210 D233 L235T208-V227 HydrophobicContact CG2-CG2 3.82Å; T208-V227 PolarHBondContact O-N 2.8Å; L210-V227 HydrophobicContact CB-CG1 4.09Å; L210-V227 HydrophobicContact CD1-CG1 3.42Å; L210-V227 VanDerWaalsContact CD1-CG1 3.42Å; L210-V227 HydrophobicContact CG-CG1 4.32Å; V227-D233 CarbonylContact C-O 3.51Å; V227-D233 VanDerWaalsContact CA-O 3.31Å; V227-D233 WeakPolarHBondContact CA-O 3.38Å; V227-L235 WeakPolarHBondContact O-CD1 3.4Å
228C91.9Very high77.4Confident0 Ų076.5 Ų76.50%040%0.399CS..  trans-63.8133.4171.5-178.70000110.6V230 T231 R232 D233 L235 T252C228-V230 PolarHBondContact O-N 3.38Å; C228-T231 PolarHBondContact SG-OG1 3.29Å; C228-R232 WeakPolarHBondContact O-CA 3.44Å; C228-R232 PolarHBondContact O-N 3.29Å; C228-D233 PolarHBondContact N-O 3.39Å; C228-L235 HydrophobicContact CB-CD2 4.03Å; C228-T252 HydrophobicContact CB-CG2 4Å; C228-T252 PolarHBondContact SG-N 2.94Å
229A91.1Very high79.2Confident22 Ų2274.9 Ų74.918%0.18238%0.381CS..THydrogen-bonded Turntrans-62.5-25.7179.300000113.9V250A229-V250 PolarHBondContact N-O 3.08Å
230V90.7Very high81.1Confident52 Ų5271 Ų7132%0.31536%0.363SS..THydrogen-bonded Turntrans-98.7-57.7-175.1-176.80000111.8C228 V251 L259 P267C228-V230 PolarHBondContact O-N 3.38Å; V230-V251 HydrophobicContact CG2-CG1 4.11Å; V230-V251 HydrophobicContact CG2-CG2 4.09Å; V230-L259 HydrophobicContact CG1-CD1 4.08Å; V230-P267 HydrophobicContact CG2-CB 4.27Å; V230-P267 HydrophobicContact CG2-CG 3.58Å
231T88.3Confident83.3Confident55 Ų5564.2 Ų64.234%0.33733%0.328SS..THydrogen-bonded Turntrans-89.6-12-176.347.20000114.4C228 D233 C255C228-T231 PolarHBondContact SG-OG1 3.29Å; T231-D233 WeakPolarHBondContact CB-OD2 2.98Å; T231-D233 PolarHBondContact O-N 3.35Å; T231-D233 VanDerWaalsContact OG1-CG 3.32Å; T231-D233 PolarHBondContact OG1-OD2 3.37Å; T231-C255 WeakPolarHBondContact CG2-SG 3.45Å; T231-C255 PolarHBondContact OG1-SG 3.21Å
232R88.8Confident85.4Confident176 Ų17657 Ų5766%0.66429%0.29SS*.  trans57.720-170.7-55.9-168.3176.7-154.70114.6C228C228-R232 WeakPolarHBondContact O-CA 3.44Å; C228-R232 PolarHBondContact O-N 3.29Å
233D88.7Confident87.3Confident86 Ų8648.6 Ų48.646%0.4626%0.258SS..PPolyproline II helixtrans-68144.7170.4-60-40.1000110.4V227 C228 T231 L235V227-D233 CarbonylContact C-O 3.51Å; V227-D233 VanDerWaalsContact CA-O 3.31Å; V227-D233 WeakPolarHBondContact CA-O 3.38Å; C228-D233 PolarHBondContact N-O 3.39Å; T231-D233 WeakPolarHBondContact CB-OD2 2.98Å; T231-D233 PolarHBondContact O-N 3.35Å; T231-D233 VanDerWaalsContact OG1-CG 3.32Å; T231-D233 PolarHBondContact OG1-OD2 3.37Å; D233-L235 PolarHBondContact O-N 3.34Å
234A88.7Confident88.8Confident37 Ų3743.3 Ų43.331%0.30623%0.233SC..BIsolated β-bridgetrans-64132.3176.700000111.5E224E224-A234 HydrophobicContact CB-CB 4.24Å; E224-A234 HydrophobicContact CG-CB 4.21Å; E224-A234 WeakPolarHBondContact OE2-CB 3.25Å
235L88.9Confident89.8Confident1 Ų143.5 Ų43.51%0.00523%0.231CC..PPolyproline II helixtrans-90.2137.5177.1-57.7-179.7000110.3F43 Y226 V227 C228 D233 V250 T252F43-L235 HydrophobicContact CD2-CB 4.48Å; F43-L235 HydrophobicContact CE1-CB 4.48Å; F43-L235 VanDerWaalsContact CE1-O 3.28Å; F43-L235 WeakPolarHBondContact CE1-O 3.3Å; F43-L235 HydrophobicContact CE2-CB 3.67Å; F43-L235 HydrophobicContact CE2-CD1 4.37Å; F43-L235 HydrophobicContact CZ-CB 3.66Å; F43-L235 WeakPolarHBondContact CZ-O 3.42Å; Y226-L235 WeakPolarHBondContact O-CB 3.22Å; Y226-L235 PolarHBondContact O-N 2.91Å; V227-L235 WeakPolarHBondContact O-CD1 3.4Å; C228-L235 HydrophobicContact CB-CD2 4.03Å; D233-L235 PolarHBondContact O-N 3.34Å; L235-V250 HydrophobicContact CD1-CB 4.19Å; L235-V250 HydrophobicContact CD1-CG1 3.84Å; L235-T252 HydrophobicContact CD2-CG2 3.84Å
236G86.3Confident90.2Very high16 Ų1641.6 Ų41.617%0.16523%0.231CC..  trans-161.9172.9179.200000112.2S238 V239G236-S238 PolarHBondContact O-N 2.73Å; G236-S238 VanDerWaalsContact O-N 3.11Å; G236-V239 PolarHBondContact O-N 3.19Å; G236-V239 VanDerWaalsContact O-N 3.07Å
237N85.1Confident90.3Very high32 Ų3240.4 Ų40.417%0.17123%0.23CC..THydrogen-bonded Turntrans-63.4-20.2-175.8-59.7-4.2000113.9D42 F43D42-N237 WeakPolarHBondContact CA-OD1 3.26Å; D42-N237 PolarHBondContact OD1-ND2 3.41Å; F43-N237 WeakPolarHBondContact CB-OD1 3.35Å; F43-N237 WeakPolarHBondContact CD1-OD1 3.39Å; F43-N237 PolarHBondContact N-OD1 3.14Å
238S83.3Confident90.3Very high96 Ų9640 Ų4067%0.67123%0.228SC*.THydrogen-bonded Turntrans-77.8-31.5176.948.50000112.6G236 R283G236-S238 PolarHBondContact O-N 2.73Å; G236-S238 VanDerWaalsContact O-N 3.11Å; S238-R283 PolarHBondContact O-NH2 3.35Å
239V87.6Confident90.4Very high45 Ų4540.6 Ų40.627%0.27323%0.231SC..SBendtrans-90.2122.1-174-175.90000109G236 C241 T252G236-V239 PolarHBondContact O-N 3.19Å; G236-V239 VanDerWaalsContact O-N 3.07Å; V239-C241 PolarHBondContact O-N 3.44Å; V239-C241 PolarHBondContact O-SG 2.92Å; V239-T252 HydrophobicContact CG1-CG2 3.74Å
240P90.3Very high90.5Very high45 Ų4539.6 Ų39.629%0.29222%0.223SC..  trans-66.9129.8173.522.5-18.6000109.3Q253 R283P240-Q253 HydrophobicContact CB-CB 3.7Å; P240-Q253 HydrophobicContact CB-CG 4.34Å; P240-Q253 HydrophobicContact CG-CB 3.83Å; P240-Q253 WeakPolarHBondContact O-CB 3.11Å; P240-Q253 PolarHBondContact O-N 3.22Å; P240-R283 VanDerWaalsContact N-NH2 3.15Å
241C92.6Very high90.7Very high8 Ų837.1 Ų37.15%0.05421%0.208CC..EExtended strand (participates in β ladder)trans-122.7155.6-177.2-59.40000110V239 V250 V251 L281V239-C241 PolarHBondContact O-N 3.44Å; V239-C241 PolarHBondContact O-SG 2.92Å; C241-V250 HydrophobicContact CB-CG1 4.02Å; C241-V251 CarbonylContact C-O 3.49Å; C241-V251 WeakPolarHBondContact CA-O 3.4Å; C241-L281 HydrophobicContact CB-CD1 3.98Å; C241-L281 WeakPolarHBondContact O-CB 2.91Å; C241-L281 PolarHBondContact O-N 2.75Å
242A94.6Very high91Very high0 Ų034.7 Ų34.70%019%0.193CC..EExtended strand (participates in β ladder)trans-137.2152.1174.500000110.1V251 V256 I278 I279A242-V251 PolarHBondContact N-O 3.03Å; A242-V251 PolarHBondContact O-N 3.37Å; A242-V251 VanDerWaalsContact O-O 3.12Å; A242-V256 HydrophobicContact CB-CG2 4.03Å; A242-I278 HydrophobicContact CB-CG2 4.29Å; A242-I279 CarbonylContact C-O 3.51Å; A242-I279 WeakPolarHBondContact CA-O 3.43Å; A242-I279 WeakPolarHBondContact CB-O 3.31Å
243V95.3Very high91.2Very high0 Ų028.2 Ų28.20%017%0.17CC..EExtended strand (participates in β ladder)trans-106136.2174.4-179.90000109.1V58 V205 T249 V250 I279 L281V58-V243 HydrophobicContact CG2-CG2 4.47Å; V205-V243 HydrophobicContact CG1-CG2 4.27Å; V205-V243 HydrophobicContact CG2-CG1 4.13Å; V205-V243 HydrophobicContact CG2-CG2 4.07Å; V243-T249 WeakPolarHBondContact CA-O 3.46Å; V243-V250 HydrophobicContact CG2-CG2 4.21Å; V243-I279 PolarHBondContact N-O 3.39Å; V243-I279 PolarHBondContact O-N 3.17Å; V243-L281 HydrophobicContact CG2-CD1 3.91Å; V243-L281 HydrophobicContact CG2-CD2 3.65Å; V243-L281 HydrophobicContact CG2-CG 3.84Å
244L95.1Very high91.4Very high0 Ų029.2 Ų29.20%017%0.172CC..EExtended strand (participates in β ladder)trans-88.7122.5170.3-57-179000109.7G248 T249 V251 I260 P267 L273 I278L244-G248 WeakPolarHBondContact O-CA 3.27Å; L244-G248 PolarHBondContact O-N 3.07Å; L244-T249 PolarHBondContact N-O 2.89Å; L244-T249 VanDerWaalsContact N-O 3.1Å; L244-V251 HydrophobicContact CD1-CG2 4.18Å; L244-V251 HydrophobicContact CG-CG2 4.39Å; L244-I260 HydrophobicContact CD1-CD1 4Å; L244-I260 HydrophobicContact CD2-CD1 4.26Å; L244-P267 HydrophobicContact CD1-CG 4.45Å; L244-L273 HydrophobicContact CD1-CD1 4.39Å; L244-L273 HydrophobicContact CD2-CD1 3.99Å; L244-I278 HydrophobicContact CD2-CG1 4.19Å
245R93.3Very high91.5Very high85 Ų8527.8 Ų27.832%0.32116%0.16SC..THydrogen-bonded Turntrans-56.5-43.3-177.5179.9179.1-64.2132.43.8114.6I203 R276 D277I203-R245 HydrophobicContact CD1-CB 4.21Å; I203-R245 HydrophobicContact CD1-CG 3.77Å; I203-R245 HydrophobicContact CG1-CG 4.08Å; I203-R245 HydrophobicContact CG2-CG 4.45Å; R245-R276 PolarHBondContact NH1-O 2.95Å; R245-R276 PolarHBondContact NH2-O 3.26Å; R245-D277 HydrophobicContact CB-CB 3.96Å; R245-D277 WeakPolarHBondContact CB-O 3.35Å; R245-D277 WeakPolarHBondContact CD-OD1 3.16Å; R245-D277 IonicContact CZ-OD1 2.8Å; R245-D277 PolarHBondContact N-O 3.02Å; R245-D277 IonicContact NE-OD1 3.17Å; R245-D277 IonicContact NH1-OD1 3.42Å; R245-D277 PolarHBondContact NH1-OD1 3Å
246P92.2Very high91.8Very high59 Ų5927.7 Ų27.738%0.38316%0.16SC..THydrogen-bonded Turntrans-68.4-45.4-174.9-22.635.5000113.7A271 L273P246-A271 HydrophobicContact CB-CB 4.04Å; P246-A271 HydrophobicContact CG-CB 4.32Å; P246-L273 HydrophobicContact CG-CD2 3.57Å
247S91Very high92.1Very high23 Ų2331.7 Ų31.716%0.16117%0.174CC..THydrogen-bonded Turntrans-92.7-18.1-178.757.50000114.3N206 T249 D266N206-S247 PolarHBondContact ND2-O 3.17Å; S247-T249 PolarHBondContact O-N 3.17Å; S247-T249 PolarHBondContact OG-N 3.17Å; S247-T249 PolarHBondContact OG-OG1 2.79Å; S247-D266 WeakPolarHBondContact CB-OD2 3.21Å; S247-D266 PolarHBondContact N-OD2 3.27Å; S247-D266 PolarHBondContact OG-OD1 2.95Å; S247-D266 PolarHBondContact OG-OD2 3.31Å
248G92.6Very high92.4Very high2 Ų235.8 Ų35.82%0.02119%0.19CC..  trans68.410.5-171.800000113.5P204 V205 N206 L244P204-G248 WeakPolarHBondContact O-CA 3.39Å; V205-G248 CarbonylContact C-O 3.53Å; V205-G248 VanDerWaalsContact CA-O 3.31Å; V205-G248 WeakPolarHBondContact CA-O 3.44Å; N206-G248 PolarHBondContact N-O 3.47Å; L244-G248 WeakPolarHBondContact O-CA 3.27Å; L244-G248 PolarHBondContact O-N 3.07Å
249T93.8Very high92.8Very high13 Ų1335.2 Ų35.28%0.0818%0.179CC..BIsolated β-bridgetrans-81145.9-174.457.10000112.4V243 L244 S247 M268V243-T249 WeakPolarHBondContact CA-O 3.46Å; L244-T249 PolarHBondContact N-O 2.89Å; L244-T249 VanDerWaalsContact N-O 3.1Å; S247-T249 PolarHBondContact O-N 3.17Å; S247-T249 PolarHBondContact OG-N 3.17Å; S247-T249 PolarHBondContact OG-OG1 2.79Å; T249-M268 HydrophobicContact CG2-CB 4.4Å; T249-M268 HydrophobicContact CG2-CG 4.11Å
250V94.2Very high92.9Very high1 Ų133.4 Ų33.41%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-93.6125.3178.6-168.70000110.4V205 F207 A229 L235 C241 V243 L281V205-V250 HydrophobicContact CG1-CG2 3.3Å; F207-V250 HydrophobicContact CD1-CB 4.21Å; F207-V250 HydrophobicContact CD1-CG2 3.63Å; F207-V250 HydrophobicContact CE1-CB 4.29Å; F207-V250 HydrophobicContact CE1-CG1 4.26Å; F207-V250 HydrophobicContact CE1-CG2 3.61Å; F207-V250 HydrophobicContact CG-CG2 4.27Å; F207-V250 HydrophobicContact CZ-CG2 4.22Å; A229-V250 PolarHBondContact N-O 3.08Å; L235-V250 HydrophobicContact CD1-CB 4.19Å; L235-V250 HydrophobicContact CD1-CG1 3.84Å; C241-V250 HydrophobicContact CB-CG1 4.02Å; V243-V250 HydrophobicContact CG2-CG2 4.21Å; V250-L281 HydrophobicContact CG1-CD1 4.04Å
251V94.6Very high92.9Very high0 Ų036.4 Ų36.40%018%0.176CC..EExtended strand (participates in β ladder)trans-128.9148.2-176.6-175.40000109.3V230 C241 A242 L244 C255 V256 I260V230-V251 HydrophobicContact CG2-CG1 4.11Å; V230-V251 HydrophobicContact CG2-CG2 4.09Å; C241-V251 CarbonylContact C-O 3.49Å; C241-V251 WeakPolarHBondContact CA-O 3.4Å; A242-V251 PolarHBondContact N-O 3.03Å; A242-V251 PolarHBondContact O-N 3.37Å; A242-V251 VanDerWaalsContact O-O 3.12Å; L244-V251 HydrophobicContact CD1-CG2 4.18Å; L244-V251 HydrophobicContact CG-CG2 4.39Å; V251-C255 HydrophobicContact CG1-CB 3.39Å; V251-V256 HydrophobicContact CB-CG2 4.47Å; V251-V256 HydrophobicContact CG1-CG2 4.29Å; V251-I260 HydrophobicContact CB-CD1 4.47Å; V251-I260 HydrophobicContact CG1-CD1 3.9Å; V251-I260 HydrophobicContact CG2-CD1 4.45Å
252T94Very high92.8Very high4 Ų443.5 Ų43.53%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-68.9149.2173.361.90000110.3C228 L235 V239 E254 C255 V256C228-T252 HydrophobicContact CB-CG2 4Å; C228-T252 PolarHBondContact SG-N 2.94Å; L235-T252 HydrophobicContact CD2-CG2 3.84Å; V239-T252 HydrophobicContact CG1-CG2 3.74Å; T252-E254 PolarHBondContact O-N 3.38Å; T252-C255 WeakPolarHBondContact O-CB 3.2Å; T252-C255 PolarHBondContact O-N 3.35Å; T252-C255 VanDerWaalsContact O-N 3.13Å; T252-C255 WeakPolarHBondContact OG1-CB 3.49Å; T252-C255 PolarHBondContact OG1-N 2.93Å; T252-C255 PolarHBondContact OG1-SG 3.2Å; T252-V256 PolarHBondContact O-N 3.49Å; T252-V256 VanDerWaalsContact O-N 3.1Å
253Q92.6Very high92.5Very high39 Ų3949.2 Ų49.218%0.18224%0.237CC..Hα-helixtrans-61-31.9178.1-172.667.625.500111.8P240 V256 E257P240-Q253 HydrophobicContact CB-CB 3.7Å; P240-Q253 HydrophobicContact CB-CG 4.34Å; P240-Q253 HydrophobicContact CG-CB 3.83Å; P240-Q253 WeakPolarHBondContact O-CB 3.11Å; P240-Q253 PolarHBondContact O-N 3.22Å; Q253-V256 WeakPolarHBondContact O-CB 3.13Å; Q253-V256 PolarHBondContact O-N 3.49Å; Q253-E257 PolarHBondContact NE2-OE1 3.28Å; Q253-E257 VanDerWaalsContact NE2-OE1 3.09Å; Q253-E257 WeakPolarHBondContact O-CG 3.14Å; Q253-E257 PolarHBondContact O-N 3.36Å
254E92.7Very high92.3Very high108 Ų10852 Ų5251%0.50525%0.251SS..Hα-helixtrans-62.7-43.1175.1-66-163.1-158.300112.4T252 V256 E257 K258T252-E254 PolarHBondContact O-N 3.38Å; E254-V256 VanDerWaalsContact C-N 3.29Å; E254-V256 PolarHBondContact O-N 2.82Å; E254-E257 PolarHBondContact O-N 2.67Å; E254-K258 VanDerWaalsContact O-CB 3.31Å; E254-K258 WeakPolarHBondContact O-CB 3.5Å; E254-K258 WeakPolarHBondContact O-CG 3.19Å; E254-K258 PolarHBondContact O-N 3.31Å; E254-K258 IonicContact OE2-NZ 2.65Å; E254-K258 PolarHBondContact OE2-NZ 2.86Å
255C92.5Very high92.1Very high6 Ų654.5 Ų54.54%0.04127%0.266CS..Hα-helixtrans-64.5-38.2175.6-70.60000111.4T231 V251 T252 E257 L259 I260T231-C255 WeakPolarHBondContact CG2-SG 3.45Å; T231-C255 PolarHBondContact OG1-SG 3.21Å; V251-C255 HydrophobicContact CG1-CB 3.39Å; T252-C255 WeakPolarHBondContact O-CB 3.2Å; T252-C255 PolarHBondContact O-N 3.35Å; T252-C255 VanDerWaalsContact O-N 3.13Å; T252-C255 WeakPolarHBondContact OG1-CB 3.49Å; T252-C255 PolarHBondContact OG1-N 2.93Å; T252-C255 PolarHBondContact OG1-SG 3.2Å; C255-E257 VanDerWaalsContact C-N 3.34Å; C255-E257 PolarHBondContact O-N 2.99Å; C255-L259 WeakPolarHBondContact O-CB 3.21Å; C255-L259 PolarHBondContact O-N 2.71Å; C255-I260 PolarHBondContact O-N 3.25Å
256V93.4Very high92Very high0 Ų050.5 Ų50.50%025%0.251CS..Iπ-helixtrans-59.8-47.1174172.40000110.8A242 V251 T252 Q253 E254 I260 K261 I278A242-V256 HydrophobicContact CB-CG2 4.03Å; V251-V256 HydrophobicContact CB-CG2 4.47Å; V251-V256 HydrophobicContact CG1-CG2 4.29Å; T252-V256 PolarHBondContact O-N 3.49Å; T252-V256 VanDerWaalsContact O-N 3.1Å; Q253-V256 WeakPolarHBondContact O-CB 3.13Å; Q253-V256 PolarHBondContact O-N 3.49Å; E254-V256 VanDerWaalsContact C-N 3.29Å; E254-V256 PolarHBondContact O-N 2.82Å; V256-I260 HydrophobicContact CG2-CD1 4.03Å; V256-I260 PolarHBondContact O-N 3.43Å; V256-K261 HydrophobicContact CG1-CG 4.23Å; V256-K261 WeakPolarHBondContact O-CB 3.12Å; V256-K261 WeakPolarHBondContact O-CG 3.5Å; V256-K261 PolarHBondContact O-N 3.46Å; V256-I278 HydrophobicContact CG1-CD1 4.12Å; V256-I278 HydrophobicContact CG1-CG2 3.66Å; V256-I278 HydrophobicContact CG2-CG2 4.41Å
257E93.6Very high91.8Very high100 Ų10050.9 Ų50.947%0.46725%0.253SS..Iπ-helixtrans-74.2-39-175.8-72.7170.2-170.600113.8Q253 E254 C255 K261Q253-E257 PolarHBondContact NE2-OE1 3.28Å; Q253-E257 VanDerWaalsContact NE2-OE1 3.09Å; Q253-E257 WeakPolarHBondContact O-CG 3.14Å; Q253-E257 PolarHBondContact O-N 3.36Å; E254-E257 PolarHBondContact O-N 2.67Å; C255-E257 VanDerWaalsContact C-N 3.34Å; C255-E257 PolarHBondContact O-N 2.99Å; E257-K261 HydrophobicContact CG-CD 4.34Å
258K92.4Very high91.6Very high117 Ų11755.3 Ų55.351%0.50927%0.273SS..Iπ-helixtrans-84.6-33.4-174.6-68.6171-178.9165.10113.4E254 K262E254-K258 VanDerWaalsContact O-CB 3.31Å; E254-K258 WeakPolarHBondContact O-CB 3.5Å; E254-K258 WeakPolarHBondContact O-CG 3.19Å; E254-K258 PolarHBondContact O-N 3.31Å; E254-K258 IonicContact OE2-NZ 2.65Å; E254-K258 PolarHBondContact OE2-NZ 2.86Å; K258-K262 VanDerWaalsContact O-CD 3.26Å; K258-K262 WeakPolarHBondContact O-CD 3.4Å; K258-K262 WeakPolarHBondContact O-CE 3.19Å; K258-K262 PolarHBondContact O-NZ 3.46Å
259L90.4Very high91.4Very high85 Ų8558.6 Ų58.645%0.44530%0.296SS..Iπ-helixtrans-114.9-63.7-172.8-55.7174.1000110.9V230 C255 K261 K262 D263V230-L259 HydrophobicContact CG1-CD1 4.08Å; C255-L259 WeakPolarHBondContact O-CB 3.21Å; C255-L259 PolarHBondContact O-N 2.71Å; L259-K261 PolarHBondContact O-N 3.07Å; L259-K262 WeakPolarHBondContact O-CB 3.46Å; L259-K262 PolarHBondContact O-N 3.11Å; L259-K262 VanDerWaalsContact O-N 3.11Å; L259-D263 PolarHBondContact O-N 2.93Å
260I90.4Very high91.2Very high7 Ų760.6 Ų60.64%0.03632%0.319CS..Iπ-helixtrans-68.4-37.8-166.6-59.5167.1000112.2L244 V251 C255 V256 K262 D263 M264 P267 L273L244-I260 HydrophobicContact CD1-CD1 4Å; L244-I260 HydrophobicContact CD2-CD1 4.26Å; V251-I260 HydrophobicContact CB-CD1 4.47Å; V251-I260 HydrophobicContact CG1-CD1 3.9Å; V251-I260 HydrophobicContact CG2-CD1 4.45Å; C255-I260 PolarHBondContact O-N 3.25Å; V256-I260 HydrophobicContact CG2-CD1 4.03Å; V256-I260 PolarHBondContact O-N 3.43Å; I260-K262 PolarHBondContact O-N 2.78Å; I260-D263 PolarHBondContact O-N 2.94Å; I260-M264 WeakPolarHBondContact O-CA 3.44Å; I260-M264 PolarHBondContact O-N 2.85Å; I260-P267 HydrophobicContact CD1-CG 4.5Å; I260-L273 HydrophobicContact CG2-CD1 3.41Å; I260-L273 VanDerWaalsContact CG2-CD1 3.41Å
261K90.1Very high91Very high107 Ų10762.1 Ų62.147%0.46533%0.331SS..Hα-helixtrans-66.1-21177.5-80.5-173.2-173.3172.70113.6V256 E257 L259V256-K261 HydrophobicContact CG1-CG 4.23Å; V256-K261 WeakPolarHBondContact O-CB 3.12Å; V256-K261 WeakPolarHBondContact O-CG 3.5Å; V256-K261 PolarHBondContact O-N 3.46Å; E257-K261 HydrophobicContact CG-CD 4.34Å; L259-K261 PolarHBondContact O-N 3.07Å
262K90.2Very high91Very high157 Ų15771 Ų7168%0.68337%0.37SS*.Hα-helixtrans-78.9-46.9177.3-65.3-179.9-178157.50111.1K258 L259 I260K258-K262 VanDerWaalsContact O-CD 3.26Å; K258-K262 WeakPolarHBondContact O-CD 3.4Å; K258-K262 WeakPolarHBondContact O-CE 3.19Å; K258-K262 PolarHBondContact O-NZ 3.46Å; L259-K262 WeakPolarHBondContact O-CB 3.46Å; L259-K262 PolarHBondContact O-N 3.11Å; L259-K262 VanDerWaalsContact O-N 3.11Å; I260-K262 PolarHBondContact O-N 2.78Å
263D88.1Confident90.9Very high121 Ų12171.3 Ų71.365%0.64737%0.371SS*.Hα-helixtrans-92.9-13.2-174.4-58.8-30000112.8L259 I260 T265L259-D263 PolarHBondContact O-N 2.93Å; I260-D263 PolarHBondContact O-N 2.94Å; D263-T265 PolarHBondContact O-N 3.43Å; D263-T265 PolarHBondContact O-OG1 3.44Å
264M91.4Very high90.9Very high59 Ų5973 Ų7329%0.29139%0.385SS..  trans42.342.9-177.2-71.9-64.4-76.600112.7I260 L273 E275I260-M264 WeakPolarHBondContact O-CA 3.44Å; I260-M264 PolarHBondContact O-N 2.85Å; M264-L273 VanDerWaalsContact CE-O 3.24Å; M264-L273 WeakPolarHBondContact CE-O 3.23Å; M264-L273 PolarHBondContact O-N 2.92Å; M264-E275 HydrophobicContact CE-CG 4.31Å
265T91.2Very high90.7Very high51 Ų5175.9 Ų75.931%0.31340%0.398SS..BIsolated β-bridgetrans-138.1139.6-175.9-55.50000109.2D263 A271D263-T265 PolarHBondContact O-N 3.43Å; D263-T265 PolarHBondContact O-OG1 3.44Å; T265-A271 CarbonylContact C-O 3.6Å; T265-A271 WeakPolarHBondContact CA-O 3.47Å
266D90Very high90.6Very high1 Ų185.4 Ų85.41%0.00543%0.433CS..  trans-71.5122.2177.1-171.4-34.4000109.8S247 M268 S269 G270 A271 L273S247-D266 WeakPolarHBondContact CB-OD2 3.21Å; S247-D266 PolarHBondContact N-OD2 3.27Å; S247-D266 PolarHBondContact OG-OD1 2.95Å; S247-D266 PolarHBondContact OG-OD2 3.31Å; D266-M268 PolarHBondContact O-N 2.86Å; D266-M268 PolarHBondContact OD1-N 2.65Å; D266-S269 PolarHBondContact OD1-N 2.89Å; D266-G270 WeakPolarHBondContact O-CA 3.36Å; D266-G270 PolarHBondContact O-N 3.21Å; D266-A271 PolarHBondContact N-O 2.76Å; D266-L273 HydrophobicContact CB-CD1 4.14Å; D266-L273 HydrophobicContact CB-CD2 4.22Å; D266-L273 HydrophobicContact CB-CG 4.16Å
267P88.3Confident90.5Very high67 Ų6786.6 Ų86.644%0.43544%0.439SS..THydrogen-bonded Turntrans-67.7-21.7-178.426.9-33.9000113.7V230 L244 I260V230-P267 HydrophobicContact CG2-CB 4.27Å; V230-P267 HydrophobicContact CG2-CG 3.58Å; L244-P267 HydrophobicContact CD1-CG 4.45Å; I260-P267 HydrophobicContact CD1-CG 4.5Å
268M87.7Confident90.6Very high117 Ų11782.8 Ų82.858%0.57642%0.422SS*.THydrogen-bonded Turntrans-96.9-39-177.4-64.6-60.3-62.300112.2T249 D266T249-M268 HydrophobicContact CG2-CB 4.4Å; T249-M268 HydrophobicContact CG2-CG 4.11Å; D266-M268 PolarHBondContact O-N 2.86Å; D266-M268 PolarHBondContact OD1-N 2.65Å
269S88.4Confident90.7Very high71 Ų7177.3 Ų77.350%0.49740%0.398SS..THydrogen-bonded Turntrans-97.4-18.9-178.2-179.40000113.8D266 A271D266-S269 PolarHBondContact OD1-N 2.89Å; S269-A271 PolarHBondContact O-N 3.23Å
270G88Confident90.8Very high55 Ų5576.4 Ų76.457%0.56740%0.398SS*.  trans68.17.5-170.900000114.6D266D266-G270 WeakPolarHBondContact O-CA 3.36Å; D266-G270 PolarHBondContact O-N 3.21Å
271A91.9Very high90.9Very high33 Ų3377.3 Ų77.327%0.27340%0.402SS..PPolyproline II helixtrans-77.4142.6-179.500000111.2P246 T265 D266 S269 L273P246-A271 HydrophobicContact CB-CB 4.04Å; P246-A271 HydrophobicContact CG-CB 4.32Å; T265-A271 CarbonylContact C-O 3.6Å; T265-A271 WeakPolarHBondContact CA-O 3.47Å; D266-A271 PolarHBondContact N-O 2.76Å; S269-A271 PolarHBondContact O-N 3.23Å; A271-L273 PolarHBondContact O-N 3.26Å
272K92.9Very high90.9Very high186 Ų18676.5 Ų76.581%0.80940%0.4SS*.BIsolated β-bridgetrans-67.6129.9173.4-66.5-177.3179.5-179.60109.9
273L91.8Very high90.5Very high10 Ų1073.7 Ų73.75%0.05239%0.385CS..PPolyproline II helixtrans-98.7146.5-178.8-67.8170.1000110.9L244 P246 I260 M264 D266 A271 D277L244-L273 HydrophobicContact CD1-CD1 4.39Å; L244-L273 HydrophobicContact CD2-CD1 3.99Å; P246-L273 HydrophobicContact CG-CD2 3.57Å; I260-L273 HydrophobicContact CG2-CD1 3.41Å; I260-L273 VanDerWaalsContact CG2-CD1 3.41Å; M264-L273 VanDerWaalsContact CE-O 3.24Å; M264-L273 WeakPolarHBondContact CE-O 3.23Å; M264-L273 PolarHBondContact O-N 2.92Å; D266-L273 HydrophobicContact CB-CD1 4.14Å; D266-L273 HydrophobicContact CB-CD2 4.22Å; D266-L273 HydrophobicContact CB-CG 4.16Å; A271-L273 PolarHBondContact O-N 3.26Å; L273-D277 HydrophobicContact CD2-CB 3.84Å
274T92.4Very high89.8Confident75 Ų7568.2 Ų68.246%0.4636%0.357SS..  trans-106.4163.5162.468.20000110.2R276 D277T274-R276 PolarHBondContact O-N 3.1Å; T274-R276 VanDerWaalsContact O-N 3.08Å; T274-D277 WeakPolarHBondContact CB-OD2 3.48Å; T274-D277 PolarHBondContact N-OD2 3.04Å; T274-D277 WeakPolarHBondContact O-CB 3.18Å; T274-D277 PolarHBondContact O-N 3.32Å; T274-D277 VanDerWaalsContact OG1-CG 3.28Å; T274-D277 PolarHBondContact OG1-OD2 3.19Å
275E89.9Confident88.8Confident168 Ų16866.9 Ų66.979%0.78536%0.358SS*.G310 helixtrans-56.9-27.7176.7-64.6-177.6170.600112.8M264 D277M264-E275 HydrophobicContact CE-CG 4.31Å; E275-D277 VanDerWaalsContact C-N 3.31Å
276R90.3Very high87.5Confident206 Ų20667 Ų6778%0.77736%0.359SS*.G310 helixtrans-74.5-22.5177.3-62.9-177.8-177.9172.71.8113R245 T274 I278R245-R276 PolarHBondContact NH1-O 2.95Å; R245-R276 PolarHBondContact NH2-O 3.26Å; T274-R276 PolarHBondContact O-N 3.1Å; T274-R276 VanDerWaalsContact O-N 3.08Å; R276-I278 VanDerWaalsContact C-N 3.28Å
277D91.5Very high86.1Confident25 Ų2571 Ų7113%0.13440%0.401CS..G310 helixtrans-80.7-15-179.9-61.6-45.7000111.9R245 L273 T274 E275R245-D277 HydrophobicContact CB-CB 3.96Å; R245-D277 WeakPolarHBondContact CB-O 3.35Å; R245-D277 WeakPolarHBondContact CD-OD1 3.16Å; R245-D277 IonicContact CZ-OD1 2.8Å; R245-D277 PolarHBondContact N-O 3.02Å; R245-D277 IonicContact NE-OD1 3.17Å; R245-D277 IonicContact NH1-OD1 3.42Å; R245-D277 PolarHBondContact NH1-OD1 3Å; L273-D277 HydrophobicContact CD2-CB 3.84Å; T274-D277 WeakPolarHBondContact CB-OD2 3.48Å; T274-D277 PolarHBondContact N-OD2 3.04Å; T274-D277 WeakPolarHBondContact O-CB 3.18Å; T274-D277 PolarHBondContact O-N 3.32Å; T274-D277 VanDerWaalsContact OG1-CG 3.28Å; T274-D277 PolarHBondContact OG1-OD2 3.19Å; E275-D277 VanDerWaalsContact C-N 3.31Å
278I94.3Very high84.7Confident20 Ų2074.8 Ų74.810%0.10341%0.411CS..EExtended strand (participates in β ladder)trans-91.4105.8173.7-58.2169.4000107.6A242 L244 V256 R276 P280A242-I278 HydrophobicContact CB-CG2 4.29Å; L244-I278 HydrophobicContact CD2-CG1 4.19Å; V256-I278 HydrophobicContact CG1-CD1 4.12Å; V256-I278 HydrophobicContact CG1-CG2 3.66Å; V256-I278 HydrophobicContact CG2-CG2 4.41Å; R276-I278 VanDerWaalsContact C-N 3.28Å; I278-P280 WeakPolarHBondContact O-CD 3.35Å
279I94.8Very high83.5Confident3 Ų369.7 Ų69.72%0.01539%0.388CS..EExtended strand (participates in β ladder)trans-104.9105.6-176.7-61.8168.9000108.6V58 I203 A242 V243 L281V58-I279 HydrophobicContact CG1-CG2 3.89Å; I203-I279 HydrophobicContact CD1-CD1 3.11Å; A242-I279 CarbonylContact C-O 3.51Å; A242-I279 WeakPolarHBondContact CA-O 3.43Å; A242-I279 WeakPolarHBondContact CB-O 3.31Å; V243-I279 PolarHBondContact N-O 3.39Å; V243-I279 PolarHBondContact O-N 3.17Å; I279-L281 PolarHBondContact O-N 3.13Å
280P93.9Very high82.4Confident66 Ų6667.5 Ų67.543%0.42938%0.376SS..EExtended strand (participates in β ladder)trans-66.9126.4175.228.2-32.9000109.3G62 I278G62-P280 WeakPolarHBondContact CA-O 3.33Å; I278-P280 WeakPolarHBondContact O-CD 3.35Å
281L92.3Very high81.3Confident26 Ų2666.2 Ų66.214%0.13636%0.358CS..PPolyproline II helixtrans-71.3132.4177.8-71177.8000110.3V58 C241 V243 V250 I279 R283V58-L281 HydrophobicContact CG1-CD2 4.01Å; V58-L281 HydrophobicContact CG2-CD2 3.68Å; C241-L281 HydrophobicContact CB-CD1 3.98Å; C241-L281 WeakPolarHBondContact O-CB 2.91Å; C241-L281 PolarHBondContact O-N 2.75Å; V243-L281 HydrophobicContact CG2-CD1 3.91Å; V243-L281 HydrophobicContact CG2-CD2 3.65Å; V243-L281 HydrophobicContact CG2-CG 3.84Å; V250-L281 HydrophobicContact CG1-CD1 4.04Å; I279-L281 PolarHBondContact O-N 3.13Å; L281-R283 PolarHBondContact O-N 2.91Å
282Q89.1Confident79.9Confident89 Ų8967.5 Ų67.542%0.41638%0.375SS..PPolyproline II helixtrans-71125.2174.1-64.1-60.6-23.500109.2D61 G62 Y63D61-Q282 VanDerWaalsContact O-CG 3.29Å; D61-Q282 WeakPolarHBondContact O-CG 3.32Å; D61-Q282 PolarHBondContact O-NE2 2.75Å; G62-Q282 PolarHBondContact O-N 2.92Å; Y63-Q282 HydrophobicContact CD1-CB 4.01Å; Y63-Q282 HydrophobicContact CD1-CG 4.14Å; Y63-Q282 HydrophobicContact CD2-CG 4.22Å; Y63-Q282 HydrophobicContact CE1-CB 3.91Å; Y63-Q282 HydrophobicContact CE1-CG 3.91Å; Y63-Q282 HydrophobicContact CE2-CG 3.97Å; Y63-Q282 HydrophobicContact CG-CG 4.3Å
283R82.5Confident78.9Confident99 Ų9964.6 Ų64.637%0.37437%0.372SS..PPolyproline II helixtrans-70152.4175.2-63.9-180174.5174.2-7.6110S238 P240 L281 G285S238-R283 PolarHBondContact O-NH2 3.35Å; P240-R283 VanDerWaalsContact N-NH2 3.15Å; L281-R283 PolarHBondContact O-N 2.91Å; R283-G285 PolarHBondContact O-N 2.92Å
284G73.1Confident77.8Confident5 Ų569.3 Ų69.35%0.05240%0.398CS..PPolyproline II helixtrans-53.6134.117600000111.7I40 S291I40-G284 WeakPolarHBondContact CG2-O 3.18Å; G284-S291 WeakPolarHBondContact O-CB 3.31Å; G284-S291 PolarHBondContact O-N 3.47Å
285G69.5Low77Confident31 Ų3168.3 Ų68.332%0.3239%0.389SS..EExtended strand (participates in β ladder)trans-155.6146.9174.500000109.5R283 A289R283-G285 PolarHBondContact O-N 2.92Å; G285-A289 CarbonylContact C-O 3.45Å; G285-A289 VanDerWaalsContact CA-O 3.25Å; G285-A289 WeakPolarHBondContact CA-O 3.39Å
286T65.2Low76.5Confident54 Ų5468.1 Ų68.133%0.33138%0.381SS..EExtended strand (participates in β ladder)trans-86.5164.8165.467.60000108.9L35 A39 F288 A289L35-T286 HydrophobicContact CD1-CG2 3.96Å; A39-T286 WeakPolarHBondContact O-CG2 3.23Å; T286-F288 PolarHBondContact O-N 2.88Å; T286-F288 PolarHBondContact OG1-N 2.66Å; T286-A289 PolarHBondContact N-O 3.03Å; T286-A289 PolarHBondContact O-N 2.93Å; T286-A289 VanDerWaalsContact O-O 3.09Å; T286-A289 PolarHBondContact OG1-N 2.75Å; T286-A289 VanDerWaalsContact OG1-N 3.14Å; T286-A289 PolarHBondContact OG1-O 2.86Å
287G60.1Low76.1Confident86 Ų8659.2 Ų59.289%0.88735%0.352SS*.THydrogen-bonded Turntrans-57.9-10.7174.300000114.7
288F60Low75.8Confident146 Ų14665 Ų6564%0.6438%0.376SS*.THydrogen-bonded Turntrans-113.9-16.3-179.1-58.5-78.8000114.3T286 A297T286-F288 PolarHBondContact O-N 2.88Å; T286-F288 PolarHBondContact OG1-N 2.66Å; F288-A297 HydrophobicContact CB-CB 3.74Å
289A61.8Low75.3Confident10 Ų1068.5 Ų68.58%0.08339%0.391CS..EExtended strand (participates in β ladder)trans-157.2136.7-174.300000111.7L35 G285 T286 D294L35-A289 HydrophobicContact CD1-CB 3.7Å; L35-A289 HydrophobicContact CG-CB 4.28Å; G285-A289 CarbonylContact C-O 3.45Å; G285-A289 VanDerWaalsContact CA-O 3.25Å; G285-A289 WeakPolarHBondContact CA-O 3.39Å; T286-A289 PolarHBondContact N-O 3.03Å; T286-A289 PolarHBondContact O-N 2.93Å; T286-A289 VanDerWaalsContact O-O 3.09Å; T286-A289 PolarHBondContact OG1-N 2.75Å; T286-A289 VanDerWaalsContact OG1-N 3.14Å; T286-A289 PolarHBondContact OG1-O 2.86Å; A289-D294 CarbonylContact C-O 3.59Å; A289-D294 WeakPolarHBondContact CA-O 3.28Å; A289-D294 VanDerWaalsContact CB-O 3.3Å; A289-D294 WeakPolarHBondContact CB-O 3.38Å
290G65.8Low74.8Confident25 Ų2572.6 Ų72.626%0.25843%0.426SS..EExtended strand (participates in β ladder)trans-120.3141.2-175.500000113.4G292 V293 D294G290-G292 PolarHBondContact O-N 3.33Å; G290-V293 PolarHBondContact O-N 2.88Å; G290-D294 PolarHBondContact N-O 3.16Å; G290-D294 PolarHBondContact O-N 3.29Å
291S63.6Low74.2Confident27 Ų2773.6 Ų73.619%0.18942%0.421CS..THydrogen-bonded Turntrans-63.9121.5173.4-179.60000111G284G284-S291 WeakPolarHBondContact O-CB 3.31Å; G284-S291 PolarHBondContact O-N 3.47Å
292G63.9Low73.8Confident60 Ų6077.1 Ų77.162%0.61945%0.446SS*.THydrogen-bonded Turntrans87.5-1.8178.600000116G290G290-G292 PolarHBondContact O-N 3.33Å
293V70.2Confident73.1Confident125 Ų12577.8 Ų77.876%0.75846%0.456SS*.THydrogen-bonded Turntrans-116.2-74.4174.5-173.90000109.9G290G290-V293 PolarHBondContact O-N 2.88Å
294D70.4Confident72.2Confident110 Ų11079.6 Ų79.659%0.58847%0.47SS*.BIsolated β-bridgetrans-142.3113.9-178-89.6-37.7000110.3A289 G290 R296A289-D294 CarbonylContact C-O 3.59Å; A289-D294 WeakPolarHBondContact CA-O 3.28Å; A289-D294 VanDerWaalsContact CB-O 3.3Å; A289-D294 WeakPolarHBondContact CB-O 3.38Å; G290-D294 PolarHBondContact N-O 3.16Å; G290-D294 PolarHBondContact O-N 3.29Å; D294-R296 PolarHBondContact O-N 2.93Å
295L74.1Confident71.4Confident54 Ų5488.7 Ų88.728%0.28351%0.511SS..  trans-86.112177.4-65177.3000113.1R34 L35 I40R34-L295 CarbonylContact C-O 3.53Å; R34-L295 WeakPolarHBondContact CA-O 3.49Å; R34-L295 HydrophobicContact CG-CB 4.34Å; L35-L295 PolarHBondContact N-O 3.04Å; I40-L295 HydrophobicContact CD1-CD2 3.62Å
296R80.7Confident70.5Confident163 Ų16395.5 Ų95.562%0.61556%0.564SS**EExtended strand (participates in β ladder)trans-103.5111.2-178.4-69.6-176.4-175.5175.73.2109.7V33 D294V33-R296 CarbonylContact O-C 3.54Å; V33-R296 WeakPolarHBondContact O-CA 3.46Å; D294-R296 PolarHBondContact O-N 2.93Å
297A81.3Confident70.8Confident19 Ų1997.6 Ų97.616%0.15758%0.576CS.*EExtended strand (participates in β ladder)trans-75.7135.2166.300000109.1S32 V33 L35 F288S32-A297 VanDerWaalsContact CA-O 3.26Å; S32-A297 WeakPolarHBondContact CA-O 3.5Å; V33-A297 PolarHBondContact N-O 2.83Å; V33-A297 PolarHBondContact O-N 3.28Å; L35-A297 HydrophobicContact CD1-CB 4.21Å; L35-A297 HydrophobicContact CD2-CB 4.17Å; L35-A297 HydrophobicContact CG-CB 4.08Å; F288-A297 HydrophobicContact CB-CB 3.74Å
298K84.5Confident71.4Confident147 Ų14798.2 Ų98.264%0.63956%0.56SS**EExtended strand (participates in β ladder)trans-119.4126.9172.9-67.4-179.1-177.3172.50109.2Q31Q31-K298 WeakPolarHBondContact O-CA 3.44Å
299E84.5Confident72Confident93 Ų9395.5 Ų95.544%0.43556%0.555SS.*EExtended strand (participates in β ladder)trans-110.5118.9172.9-165.5-171.8155.400108.4T30 Q31 R301T30-E299 WeakPolarHBondContact CA-O 3.27Å; Q31-E299 PolarHBondContact N-O 3.06Å; Q31-E299 PolarHBondContact O-N 2.82Å; E299-R301 VanDerWaalsContact CD-NE 3.25Å; E299-R301 HydrophobicContact CG-CG 4.26Å; E299-R301 PolarHBondContact O-N 3.12Å; E299-R301 IonicContact OE1-CZ 3.43Å; E299-R301 IonicContact OE1-NE 2.93Å; E299-R301 PolarHBondContact OE1-NE 3.32Å; E299-R301 IonicContact OE1-NH2 2.66Å; E299-R301 PolarHBondContact OE1-NH2 3.15Å; E299-R301 IonicContact OE2-CZ 3.78Å; E299-R301 IonicContact OE2-NE 2.68Å; E299-R301 PolarHBondContact OE2-NE 2.7Å; E299-R301 IonicContact OE2-NH2 3.56Å; E299-R301 PolarHBondContact OE2-NH2 3.26Å
300A83.4Confident72.6Confident90 Ų90100.5 Ų100.574%0.74458%0.583SS**  trans-85.8109.1175.800000109.2T30T30-A300 HydrophobicContact CG2-CB 4.35Å
301R83.1Confident73Confident86 Ų86105.3 Ų105.333%0.32560%0.603SS.*  trans-106.8160.6174.9-66.2-169.1176.4173.77.6110.7G27 E299 V303G27-R301 WeakPolarHBondContact O-CD 3.48Å; E299-R301 VanDerWaalsContact CD-NE 3.25Å; E299-R301 HydrophobicContact CG-CG 4.26Å; E299-R301 PolarHBondContact O-N 3.12Å; E299-R301 IonicContact OE1-CZ 3.43Å; E299-R301 IonicContact OE1-NE 2.93Å; E299-R301 PolarHBondContact OE1-NE 3.32Å; E299-R301 IonicContact OE1-NH2 2.66Å; E299-R301 PolarHBondContact OE1-NH2 3.15Å; E299-R301 IonicContact OE2-CZ 3.78Å; E299-R301 IonicContact OE2-NE 2.68Å; E299-R301 PolarHBondContact OE2-NE 2.7Å; E299-R301 IonicContact OE2-NH2 3.56Å; E299-R301 PolarHBondContact OE2-NH2 3.26Å; R301-V303 PolarHBondContact O-N 3.15Å
302P82.2Confident73.6Confident101 Ų101110.5 Ų110.566%0.65663%0.631SS**  trans-48.7133174.2-26.735.1000110.6Y28 G29Y28-P302 WeakPolarHBondContact CD1-O 3.48Å; G29-P302 PolarHBondContact N-O 2.78Å; G29-P302 VanDerWaalsContact N-O 3.08Å
303V74.7Confident74.3Confident103 Ų103114.1 Ų114.162%0.62463%0.632SS**  trans-97.4127.7173.1-172.40000105.6R301 Q305R301-V303 PolarHBondContact O-N 3.15Å; V303-Q305 PolarHBondContact O-N 2.95Å
304M64.1Low74.7Confident136 Ų136113.2 Ų113.267%0.6762%0.622SS**  trans-62.6114.4166.5-72.8-153.8-79.600107.1Y28 A306Y28-M304 HydrophobicContact CD1-CG 3.95Å; Y28-M304 HydrophobicContact CE1-CG 4.17Å; Y28-M304 HydrophobicContact CG-CG 4.28Å; M304-A306 PolarHBondContact O-N 3.47Å; M304-A306 VanDerWaalsContact O-N 3.16Å
305Q57.3Low75Confident196 Ų196113.5 Ų113.592%0.91663%0.625SS**  trans-64.3114.8166.7-74.4-178.3-16.700106.2V303V303-Q305 PolarHBondContact O-N 2.95Å
306A50.3Low75.1Confident174 Ų174118.9 Ų118.9100%1.43866%0.656SS**  trans-76.20171.700000110.1M304M304-A306 PolarHBondContact O-N 3.47Å; M304-A306 VanDerWaalsContact O-N 3.16Å

Retrieved 306 of 306 residues in 153.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).