A0A087XI86_POEFO Loading...

Box C/D snoRNA protein 1

Required for box C/D snoRNAs accumulation involved in snoRNA processing, snoRNA transport to the nucleolus and ribosome biogenesis.

AlphaFold DB , UniProt , Accession A0A087XI86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M35.7Very low31.8Very low248 Ų248165.9 Ų165.9100%1.22285%0.852SS**  0157.50-67.6-175.3-131.200108.6
2C31.7Very low31.5Very low127 Ų127166.8 Ų166.886%0.85885%0.854SS**  trans-39.6133.7-157.2-61.80000120.6
3S29.1Very low31.3Very low109 Ų109162.2 Ų162.276%0.76285%0.846SS**  trans-66-171.3147.8-36.10000112.2
4I33.8Very low31.1Very low152 Ų152162 Ų16278%0.77985%0.846SS**  trans119.6129.6163.3-69.9165.2000111.6
5I33.7Very low31.1Very low152 Ų152159.9 Ų159.978%0.77984%0.842SS**  cis-154.4164.8-0.7-118.5176.6000111.6
6L31.2Very low30.9Very low151 Ų151159.2 Ų159.279%0.79184%0.839SS**  trans-77.7158.8170.2-76.492.9000113.2
7Q31Very low30.9Very low202 Ų202154.7 Ų154.794%0.94484%0.84SS**  -164.2171.3118.9-107.2168.814.800113.7
8K32.4Very low30.9Very low187 Ų187153.6 Ų153.681%0.81383%0.828SS**  trans-144.7166.6-157.8-173.8-169.4177.7-1800109.6
9V30Very low31.2Very low117 Ų117154 Ų15471%0.70983%0.828SS**  trans82.8135.5169.7-166.20000110.8
10Q28.9Very low31.1Very low190 Ų190152.1 Ų152.189%0.88882%0.817SS**  cis-152.2-178.747-152.3148.18.700114.5
11K32.1Very low31Very low190 Ų190152.9 Ų152.983%0.82682%0.822SS**  trans-124.6166.1-173.5-175-179.4-179.7-176.60109.7
12M29.1Very low30.6Very low177 Ų177150.9 Ų150.987%0.87280%0.802SS**  trans90.3146.4-179.3-55.4174.866.200113.6
13S28.9Very low30.6Very low107 Ų107148.7 Ų148.775%0.74879%0.787SS**  cis-164.9172.5-8.839.20000110.9
14N27.4Very low31.1Very low159 Ų159149.2 Ų149.285%0.8579%0.788SS**  trans-40.1153.6178.5-71.7-3.2000117.8
15V31.4Very low30.9Very low131 Ų131150.7 Ų150.779%0.79479%0.791SS**  -168.7145.7110144.30000112.7
16D29Very low31Very low148 Ų148151.5 Ų151.579%0.79179%0.792SS**  trans-1.3146174-60.5-51.3000125.7
17G30.9Very low31.4Very low83 Ų83152.3 Ų152.386%0.85679%0.792SS**  trans-152.172.7160.900000110.1
18H30Very low31.8Very low134 Ų134150.8 Ų150.862%0.6279%0.785SS**  trans-81.4126.7-173.516595.9000112.6D20H18-D20 IonicContact CE1-OD1 3.12Å; H18-D20 PolarHBondContact CE1-OD1 3.05Å; H18-D20 IonicContact CE1-OD2 3.16Å; H18-D20 PolarHBondContact CE1-OD2 3.23Å; H18-D20 IonicContact ND1-OD1 3.49Å; H18-D20 PolarHBondContact ND1-OD1 3.02Å; H18-D20 IonicContact NE2-OD2 3.7Å
19I35.9Very low32Very low162 Ų162150.3 Ų150.383%0.83178%0.783SS**  trans-135.3103.6158.4-62.9-177.4000107.5
20D30Very low32.5Very low115 Ų115156.3 Ų156.362%0.61579%0.792SS**  trans-71.3145.6170.1-86.1-6.3000111.7H18H18-D20 IonicContact CE1-OD1 3.12Å; H18-D20 PolarHBondContact CE1-OD1 3.05Å; H18-D20 IonicContact CE1-OD2 3.16Å; H18-D20 PolarHBondContact CE1-OD2 3.23Å; H18-D20 IonicContact ND1-OD1 3.49Å; H18-D20 PolarHBondContact ND1-OD1 3.02Å; H18-D20 IonicContact NE2-OD2 3.7Å
21N28.5Very low33.2Very low169 Ų169152.1 Ų152.190%0.90478%0.78SS**  trans-148.6119157.7-128.5-30.6000110.5
22Y28.7Very low33.9Very low207 Ų207153 Ų15381%0.81278%0.784SS**  trans-149132.2-157.9177.1-86000108.4
23C30.3Very low35Very low81 Ų81154.7 Ų154.755%0.54778%0.781SS.*  cis-150.9-155.72.9-131.90000107.7
24P39.6Very low36.1Very low119 Ų119158.9 Ų158.977%0.77379%0.785SS**  cis-127.9166.37.639-20.2000116.9
25E30.8Very low37.4Very low183 Ų183160.7 Ų160.786%0.85579%0.791SS**  trans-72.5130.1167.8-60.3-177.9116.800111.1
26E34.3Very low38.4Very low169 Ų169158.7 Ų158.779%0.7978%0.783SS**  trans-110.8121.5160-102.2-69.5156.600107.8Q28E26-Q28 VanDerWaalsContact C-N 3.27Å; E26-Q28 PolarHBondContact O-N 2.97Å
27E39.7Very low39.6Very low168 Ų168155.4 Ų155.479%0.78577%0.765SS**  trans-7965.8-160.9-160.4-169.2153.800112.9K29E27-K29 PolarHBondContact O-N 2.99Å
28Q39.8Very low40.7Very low171 Ų171155.9 Ų155.980%0.79976%0.755SS**  trans-73.695175.5-67.9-166.410.500111.3E26 R30E26-Q28 VanDerWaalsContact C-N 3.27Å; E26-Q28 PolarHBondContact O-N 2.97Å; Q28-R30 PolarHBondContact O-N 3.18Å
29K35.7Very low42.3Very low177 Ų177158.5 Ų158.577%0.7777%0.765SS**  trans-42.398169.4-76.6175.5176.6168.20111.8E27 T31E27-K29 PolarHBondContact O-N 2.99Å; K29-T31 PolarHBondContact O-N 2.92Å
30R41.5Very low44.1Very low242 Ų242152 Ų15291%0.91373%0.734SS**  trans-65.779.5170.2-89.9-172.8168.6-165.7-1.1110.3Q28 K32Q28-R30 PolarHBondContact O-N 3.18Å; R30-K32 PolarHBondContact O-N 3.02Å; R30-K32 VanDerWaalsContact O-N 3.09Å
31T44.3Very low46.9Very low103 Ų103150 Ų15063%0.63273%0.729SS**  trans-58.5113.8156.4360000107.3K29 R33K29-T31 PolarHBondContact O-N 2.92Å; T31-R33 PolarHBondContact O-N 3.03Å
32K47.1Very low50Low207 Ų207142 Ų14290%0.969%0.686SS**  trans-66.479.6175.4-68.4-179.3-179.3176.80109.1R30 K34R30-K32 PolarHBondContact O-N 3.02Å; R30-K32 VanDerWaalsContact O-N 3.09Å; K32-K34 PolarHBondContact O-N 3.48Å
33R51.1Low52.8Low214 Ų214135.6 Ų135.681%0.80868%0.683SS**  trans-61.5110.8170.8-67.9-177.9-178.51760.5106.9T31T31-R33 PolarHBondContact O-N 3.03Å
34K51.9Low55.7Low195 Ų195133.5 Ų133.585%0.84867%0.667SS**  trans-47.2142.5158.9-71.2178.6176178.10107.1K32 S36K32-K34 PolarHBondContact O-N 3.48Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.36Å
35M54.2Low58.1Low196 Ų196130.6 Ų130.697%0.96665%0.649SS**  trans-55.698.2178.3-69.2-174.572.100109.5L37M35-L37 PolarHBondContact O-N 3.18Å
36S52.8Low60.8Low89 Ų89124.1 Ų124.162%0.62263%0.631SS**  trans-72.8124.1178.235.40000107.4K34 S38K34-S36 VanDerWaalsContact C-N 3.33Å; K34-S36 PolarHBondContact O-N 3.36Å; S36-S38 PolarHBondContact O-N 3.35Å; S36-S38 VanDerWaalsContact O-N 3.08Å
37L55Low63.2Low79 Ų79120.8 Ų120.841%0.41463%0.627SS.*SBendtrans-48.1120.7158.3-80.8158.5000106.6M35 K39 R53M35-L37 PolarHBondContact O-N 3.18Å; L37-K39 PolarHBondContact O-N 2.73Å; L37-K39 VanDerWaalsContact O-N 3.08Å; L37-R53 HydrophobicContact CD1-CB 4.4Å
38S53.8Low65.4Low94 Ų94117 Ų11766%0.65761%0.609SS**THydrogen-bonded Turntrans-34.3112.2-169.850.90000112.3S36 S40S36-S38 PolarHBondContact O-N 3.35Å; S36-S38 VanDerWaalsContact O-N 3.08Å; S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 WeakPolarHBondContact O-CA 3.37Å; S38-S40 WeakPolarHBondContact O-CB 3.45Å; S38-S40 PolarHBondContact O-N 3.5Å; S38-S40 PolarHBondContact O-OG 3.28Å
39K62.8Low67.8Low188 Ų188114.9 Ų114.982%0.81760%0.599SS**THydrogen-bonded Turntrans-1576.2-179.6-165.9-176.3-176.1-174.70114.3L37L37-K39 PolarHBondContact O-N 2.73Å; L37-K39 VanDerWaalsContact O-N 3.08Å
40S74.4Confident70.5Confident26 Ų26107.1 Ų107.118%0.18257%0.568CS.*  trans-124.1129.7-173.240.10000108.8S38 A50S38-S40 VanDerWaalsContact C-N 3.28Å; S38-S40 WeakPolarHBondContact O-CA 3.37Å; S38-S40 WeakPolarHBondContact O-CB 3.45Å; S38-S40 PolarHBondContact O-N 3.5Å; S38-S40 PolarHBondContact O-OG 3.28Å; S40-A50 WeakPolarHBondContact O-CB 3.41Å; S40-A50 PolarHBondContact O-N 3.33Å
41S89.4Confident72.9Confident74 Ų74101.5 Ų101.552%0.51755%0.55SS.*BIsolated β-bridgetrans-67.5155.5172.947.10000110.4G43S41-G43 PolarHBondContact O-N 3.37Å
42C92.7Very high75.1Confident1 Ų1102.7 Ų102.71%0.00754%0.544CS..  trans-57.6120.3170.1178.80000110.5V44 C45 G46 E48 C62C42-V44 PolarHBondContact O-N 3.5Å; C42-C45 VanDerWaalsContact CB-SG 3.54Å; C42-C45 PolarHBondContact O-N 3.41Å; C42-G46 WeakPolarHBondContact O-CA 3.27Å; C42-G46 PolarHBondContact O-N 3.13Å; C42-E48 WeakPolarHBondContact CB-O 3.49Å; C42-E48 PolarHBondContact N-O 3.17Å; C42-C62 HydrophobicContact CB-CB 3.87Å; C42-C62 PolarHBondContact SG-N 3.23Å; C42-C62 VanDerWaalsContact SG-N 3.43Å; C42-C62 VanDerWaalsContact SG-SG 3.6Å
43G88.1Confident77.3Confident71 Ų7198.8 Ų98.873%0.73252%0.524SS*.THydrogen-bonded Turntrans-68.94.218000000115.2S41 H60S41-G43 PolarHBondContact O-N 3.37Å; G43-H60 PolarHBondContact N-O 3.03Å
44V91.1Very high79.2Confident37 Ų3789 Ų8922%0.22449%0.488CS..THydrogen-bonded Turntrans-114.6-37.7-178.9-178.10000112.4C42 T61 C66 K69 H70C42-V44 PolarHBondContact O-N 3.5Å; V44-T61 HydrophobicContact CG2-CG2 3.9Å; V44-C66 HydrophobicContact CB-CB 3.96Å; V44-C66 HydrophobicContact CG1-CB 4.25Å; V44-C66 HydrophobicContact CG2-CB 4.2Å; V44-K69 HydrophobicContact CG1-CB 4.03Å; V44-K69 HydrophobicContact CG1-CD 3.62Å; V44-K69 HydrophobicContact CG1-CG 3.75Å; V44-H70 HydrophobicContact CG2-CB 3.68Å
45C90.1Very high81.1Confident58 Ų5883.1 Ų83.139%0.39247%0.47SS..THydrogen-bonded Turntrans-121.4-13.8-176.3730000114.3C42 S47 C62C42-C45 VanDerWaalsContact CB-SG 3.54Å; C42-C45 PolarHBondContact O-N 3.41Å; C45-S47 PolarHBondContact O-N 2.68Å; C45-S47 PolarHBondContact SG-OG 2.56Å; C45-C62 PolarHBondContact SG-SG 3.26Å
46G86.5Confident82.8Confident47 Ų4775.7 Ų75.749%0.48544%0.44SS..SBendtrans66-22.3-179.900000116.6C42C42-G46 WeakPolarHBondContact O-CA 3.27Å; C42-G46 PolarHBondContact O-N 3.13Å
47S84.6Confident84.6Confident99 Ų9974.1 Ų74.169%0.69243%0.428SS*.SBendtrans-77.4-36.6-166.5560000115.6C45C45-S47 PolarHBondContact O-N 2.68Å; C45-S47 PolarHBondContact SG-OG 2.56Å
48E86.9Confident86.3Confident89 Ų8974.5 Ų74.542%0.41643%0.43SS..SBendtrans-112.8152.4-179.8-74.7-173-158.600111.8C42 K51 C62C42-E48 WeakPolarHBondContact CB-O 3.49Å; C42-E48 PolarHBondContact N-O 3.17Å; E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 3.1Å; E48-C62 HydrophobicContact CB-CB 3.56Å
49E90.4Very high88Confident126 Ų12672.3 Ų72.359%0.58941%0.414SS*.BIsolated β-bridgetrans-58.8140.5165.7-61.8-169151.500110.7C62E49-C62 WeakPolarHBondContact O-CB 3.45Å
50A92Very high89.5Confident15 Ų1565.4 Ų65.412%0.12439%0.385CS..  trans-70.5132.8-179.200000112S40 H60S40-A50 WeakPolarHBondContact O-CB 3.41Å; S40-A50 PolarHBondContact O-N 3.33Å; A50-H60 HydrophobicContact CB-CB 3.59Å
51K91.1Very high90.4Very high123 Ų12364.2 Ų64.254%0.53538%0.377SS..  trans-106.5-21.2-179.6-57-175.7-174.5126.40112.1E48 T61 C62E48-K51 IonicContact OE2-NZ 2.62Å; E48-K51 PolarHBondContact OE2-NZ 3.1Å; K51-T61 PolarHBondContact N-O 2.84Å; K51-C62 WeakPolarHBondContact CD-O 3.11Å
52Y91.3Very high90.6Very high129 Ų12961 Ų6151%0.50635%0.354SS..EExtended strand (participates in β ladder)trans-132.1149.6-175.6-51.3-77.2000111.1H60 T61 V67Y52-H60 WeakPolarHBondContact O-CA 3.42Å; Y52-T61 PolarHBondContact N-O 3.4Å; Y52-T61 PolarHBondContact O-N 3.4Å; Y52-V67 HydrophobicContact CD2-CG2 4.41Å
53R92.4Very high90.6Very high125 Ų12562.8 Ų62.847%0.47237%0.367SS..EExtended strand (participates in β ladder)trans-124.1127.3173.9-169.4174.7-170.5-168.81.5109.6L37 L58 S59 H60L37-R53 HydrophobicContact CD1-CB 4.4Å; R53-L58 WeakPolarHBondContact CG-O 3.17Å; R53-L58 PolarHBondContact NE-O 2.92Å; R53-S59 WeakPolarHBondContact CA-O 3.4Å; R53-H60 WeakPolarHBondContact CD-NE2 3.4Å; R53-H60 PolarHBondContact NE-NE2 3.49Å
54C92.5Very high90.9Very high9 Ų964.8 Ų64.86%0.06136%0.36CS..  trans-68.8127.1179-174.30000110.5A56 C57 L58 S59 H70C54-A56 PolarHBondContact O-N 3.28Å; C54-C57 VanDerWaalsContact SG-SG 3.61Å; C54-L58 WeakPolarHBondContact O-CA 3.05Å; C54-L58 PolarHBondContact O-N 3.4Å; C54-S59 PolarHBondContact N-O 3.43Å; C54-H70 PolarHBondContact SG-NE2 3.22Å; C54-H70 VanDerWaalsContact SG-NE2 3.44Å
55P90.9Very high91Very high71 Ų7169.6 Ų69.646%0.46138%0.384SS..THydrogen-bonded Turntrans-76.3-9.6-176.632.9-37.6000113.5G78 R80P55-G78 VanDerWaalsContact CG-O 3.31Å; P55-G78 WeakPolarHBondContact CG-O 3.27Å; P55-R80 HydrophobicContact CB-CB 4.28Å; P55-R80 WeakPolarHBondContact O-CA 3.39Å; P55-R80 VanDerWaalsContact O-CB 3.3Å; P55-R80 WeakPolarHBondContact O-CB 3.35Å
56A90.9Very high91.2Very high40 Ų4067.3 Ų67.333%0.33137%0.368SS..THydrogen-bonded Turntrans-90.7-57.5177.600000112.7C54 V79C54-A56 PolarHBondContact O-N 3.28Å; A56-V79 VanDerWaalsContact CB-O 3.31Å; A56-V79 WeakPolarHBondContact CB-O 3.41Å
57C89.3Confident91.5Very high56 Ų5666.7 Ų66.738%0.37836%0.355SS..THydrogen-bonded Turntrans-108.23.4-175.560.20000114.1C54 S59C54-C57 VanDerWaalsContact SG-SG 3.61Å; C57-S59 PolarHBondContact O-N 3.38Å; C57-S59 PolarHBondContact SG-OG 3.02Å
58L90.3Very high91.9Very high87 Ų8767.8 Ų67.846%0.45535%0.347SS..  trans62.56.4179.6-54.2178.5000115.9R53 C54R53-L58 WeakPolarHBondContact CG-O 3.17Å; R53-L58 PolarHBondContact NE-O 2.92Å; C54-L58 WeakPolarHBondContact O-CA 3.05Å; C54-L58 PolarHBondContact O-N 3.4Å
59S90.3Very high92.3Very high47 Ų4768.6 Ų68.633%0.32935%0.349SS..  trans-58.9136.4177-61.30000113.4R53 C54 C57R53-S59 WeakPolarHBondContact CA-O 3.4Å; C54-S59 PolarHBondContact N-O 3.43Å; C57-S59 PolarHBondContact O-N 3.38Å; C57-S59 PolarHBondContact SG-OG 3.02Å
60H93.4Very high92.4Very high44 Ų4463.2 Ų63.220%0.20432%0.324CS..EExtended strand (participates in β ladder)trans-93.3131-178.6-66134.4000111.6G43 A50 Y52 R53G43-H60 PolarHBondContact N-O 3.03Å; A50-H60 HydrophobicContact CB-CB 3.59Å; Y52-H60 WeakPolarHBondContact O-CA 3.42Å; R53-H60 WeakPolarHBondContact CD-NE2 3.4Å; R53-H60 PolarHBondContact NE-NE2 3.49Å
61T93.9Very high92.5Very high1 Ų165.9 Ų65.91%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-140.4145.6-174.949.50000112.3V44 K51 Y52 C66 V67V44-T61 HydrophobicContact CG2-CG2 3.9Å; K51-T61 PolarHBondContact N-O 2.84Å; Y52-T61 PolarHBondContact N-O 3.4Å; Y52-T61 PolarHBondContact O-N 3.4Å; T61-C66 HydrophobicContact CG2-CB 3.96Å; T61-V67 VanDerWaalsContact OG1-CG2 3.3Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.01Å
62C93.7Very high92.7Very high6 Ų666 Ų664%0.04134%0.339CS..SBendtrans-91.3-26.7-178.260.90000114.7C42 C45 E48 E49 K51 C66C42-C62 HydrophobicContact CB-CB 3.87Å; C42-C62 PolarHBondContact SG-N 3.23Å; C42-C62 VanDerWaalsContact SG-N 3.43Å; C42-C62 VanDerWaalsContact SG-SG 3.6Å; C45-C62 PolarHBondContact SG-SG 3.26Å; E48-C62 HydrophobicContact CB-CB 3.56Å; E49-C62 WeakPolarHBondContact O-CB 3.45Å; K51-C62 WeakPolarHBondContact CD-O 3.11Å; C62-C66 VanDerWaalsContact SG-SG 3.63Å
63S92.9Very high92.7Very high38 Ų3865.4 Ų65.427%0.26635%0.345SS..SBendtrans-147.7163.3-169.969.90000112.5L65 C66 V67S63-L65 PolarHBondContact O-N 3.12Å; S63-C66 WeakPolarHBondContact O-CB 3.35Å; S63-C66 PolarHBondContact O-N 2.92Å; S63-C66 PolarHBondContact OG-N 3.05Å; S63-V67 WeakPolarHBondContact O-CG2 3.26Å; S63-V67 PolarHBondContact O-N 3.04Å
64L93.6Very high92.5Very high114 Ų11463 Ų6360%0.59735%0.348SS*.Hα-helixtrans-58.1-33.3177.6-178.162.2000112.7V67 K68L64-V67 HydrophobicContact CD1-CB 4.49Å; L64-V67 PolarHBondContact O-N 3.41Å; L64-K68 PolarHBondContact O-N 2.99Å
65L94Very high92.4Very high138 Ų13865.9 Ų65.972%0.72338%0.379SS*.Hα-helixtrans-63.8-42.1174.8-63.3178.6000111.3S63 K68 K69S63-L65 PolarHBondContact O-N 3.12Å; L65-K68 PolarHBondContact O-N 3.07Å; L65-K69 VanDerWaalsContact O-CB 3.27Å; L65-K69 WeakPolarHBondContact O-CB 3.42Å; L65-K69 PolarHBondContact O-N 3.31Å
66C94.1Very high92.5Very high9 Ų963.5 Ų63.56%0.06136%0.363CS..Hα-helixtrans-69.5-33173.6-62.10000112.3V44 T61 C62 S63 H70V44-C66 HydrophobicContact CB-CB 3.96Å; V44-C66 HydrophobicContact CG1-CB 4.25Å; V44-C66 HydrophobicContact CG2-CB 4.2Å; T61-C66 HydrophobicContact CG2-CB 3.96Å; C62-C66 VanDerWaalsContact SG-SG 3.63Å; S63-C66 WeakPolarHBondContact O-CB 3.35Å; S63-C66 PolarHBondContact O-N 2.92Å; S63-C66 PolarHBondContact OG-N 3.05Å; C66-H70 PolarHBondContact O-N 2.99Å; C66-H70 PolarHBondContact O-ND1 3.29Å; C66-H70 VanDerWaalsContact O-ND1 3.14Å
67V93.1Very high92.5Very high34 Ų3465.4 Ų65.421%0.20637%0.374CS..Hα-helixtrans-64.2-42172.9174.10000111.3Y52 T61 S63 L64 H70 K71Y52-V67 HydrophobicContact CD2-CG2 4.41Å; T61-V67 VanDerWaalsContact OG1-CG2 3.3Å; T61-V67 WeakPolarHBondContact OG1-CG2 3.01Å; S63-V67 WeakPolarHBondContact O-CG2 3.26Å; S63-V67 PolarHBondContact O-N 3.04Å; L64-V67 HydrophobicContact CD1-CB 4.49Å; L64-V67 PolarHBondContact O-N 3.41Å; V67-H70 WeakPolarHBondContact CA-ND1 3.37Å; V67-H70 PolarHBondContact O-CE1 3.48Å; V67-H70 PolarHBondContact O-ND1 3.29Å; V67-K71 WeakPolarHBondContact O-CG 3.26Å
68K93.9Very high92.5Very high122 Ų12263.3 Ų63.353%0.5336%0.362SS..Hα-helixtrans-69.3-54.4175-70.1-177.9178.9-175.30111.1L64 L65 H70 K71 D72L64-K68 PolarHBondContact O-N 2.99Å; L65-K68 PolarHBondContact O-N 3.07Å; K68-H70 PolarHBondContact O-N 3Å; K68-K71 WeakPolarHBondContact O-CA 3.43Å; K68-K71 WeakPolarHBondContact O-CB 3.36Å; K68-K71 PolarHBondContact O-N 2.88Å; K68-D72 PolarHBondContact O-N 2.74Å
69K93.9Very high92.5Very high107 Ų10764.2 Ų64.247%0.46537%0.371SS..Hα-helixtrans-53.2-45.4-177.7178169.6175.2-1740113.1V44 L65 K71 D72 D73V44-K69 HydrophobicContact CG1-CB 4.03Å; V44-K69 HydrophobicContact CG1-CD 3.62Å; V44-K69 HydrophobicContact CG1-CG 3.75Å; L65-K69 VanDerWaalsContact O-CB 3.27Å; L65-K69 WeakPolarHBondContact O-CB 3.42Å; L65-K69 PolarHBondContact O-N 3.31Å; K69-K71 VanDerWaalsContact C-N 3.31Å; K69-K71 PolarHBondContact O-N 3.22Å; K69-D72 PolarHBondContact O-N 3.14Å; K69-D73 WeakPolarHBondContact CE-OD2 3.28Å; K69-D73 WeakPolarHBondContact CG-OD2 3.48Å; K69-D73 VanDerWaalsContact O-CB 3.27Å; K69-D73 WeakPolarHBondContact O-CB 3.4Å; K69-D73 PolarHBondContact O-N 2.92Å
70H93.1Very high92.5Very high13 Ų1369 Ų696%0.0638%0.382CS..Hα-helixtrans-66.4-31.7176.788.1-85.6000113.3V44 C54 C66 V67 K68 S74V44-H70 HydrophobicContact CG2-CB 3.68Å; C54-H70 PolarHBondContact SG-NE2 3.22Å; C54-H70 VanDerWaalsContact SG-NE2 3.44Å; C66-H70 PolarHBondContact O-N 2.99Å; C66-H70 PolarHBondContact O-ND1 3.29Å; C66-H70 VanDerWaalsContact O-ND1 3.14Å; V67-H70 WeakPolarHBondContact CA-ND1 3.37Å; V67-H70 PolarHBondContact O-CE1 3.48Å; V67-H70 PolarHBondContact O-ND1 3.29Å; K68-H70 PolarHBondContact O-N 3Å; H70-S74 VanDerWaalsContact O-CB 3.31Å; H70-S74 WeakPolarHBondContact O-CB 3.24Å; H70-S74 PolarHBondContact O-N 2.94Å; H70-S74 PolarHBondContact O-OG 2.89Å
71K94.4Very high92.2Very high70 Ų7071.6 Ų71.630%0.30440%0.397SS..Hα-helixtrans-67.4-41.3176.6-71.6-174.5178.2-151.20111V67 K68 K69 G75 C76 S77V67-K71 WeakPolarHBondContact O-CG 3.26Å; K68-K71 WeakPolarHBondContact O-CA 3.43Å; K68-K71 WeakPolarHBondContact O-CB 3.36Å; K68-K71 PolarHBondContact O-N 2.88Å; K69-K71 VanDerWaalsContact C-N 3.31Å; K69-K71 PolarHBondContact O-N 3.22Å; K71-G75 CarbonylContact O-C 3.44Å; K71-G75 VanDerWaalsContact O-CA 3.24Å; K71-G75 WeakPolarHBondContact O-CA 3.46Å; K71-G75 PolarHBondContact O-N 2.86Å; K71-C76 WeakPolarHBondContact CB-O 3.44Å; K71-C76 VanDerWaalsContact CG-O 3.27Å; K71-C76 WeakPolarHBondContact CG-O 3.41Å; K71-C76 PolarHBondContact O-N 3.28Å; K71-S77 PolarHBondContact NZ-O 3.03Å
72D94.3Very high91.9Very high126 Ų12676.1 Ų76.167%0.67442%0.417SS*.Hα-helixtrans-68.7-49.4177.6-55.8-36.8000110.6K68 K69 S74K68-D72 PolarHBondContact O-N 2.74Å; K69-D72 PolarHBondContact O-N 3.14Å; D72-S74 PolarHBondContact O-N 2.83Å
73D91.7Very high91.7Very high116 Ų11680.4 Ų80.462%0.6244%0.443SS*.Hα-helixtrans-65.8-35-178.9-67.4-13.3000113.3K69K69-D73 WeakPolarHBondContact CE-OD2 3.28Å; K69-D73 WeakPolarHBondContact CG-OD2 3.48Å; K69-D73 VanDerWaalsContact O-CB 3.27Å; K69-D73 WeakPolarHBondContact O-CB 3.4Å; K69-D73 PolarHBondContact O-N 2.92Å
74S88.6Confident91.5Very high76 Ų7681.3 Ų81.353%0.53145%0.453SS..Hα-helixtrans-106.63.2-177.270.50000115H70 D72 C76H70-S74 VanDerWaalsContact O-CB 3.31Å; H70-S74 WeakPolarHBondContact O-CB 3.24Å; H70-S74 PolarHBondContact O-N 2.94Å; H70-S74 PolarHBondContact O-OG 2.89Å; D72-S74 PolarHBondContact O-N 2.83Å; S74-C76 PolarHBondContact O-N 2.87Å; S74-C76 VanDerWaalsContact OG-CB 3.31Å; S74-C76 WeakPolarHBondContact OG-CB 3.46Å
75G90.8Very high91.4Very high69 Ų6984.8 Ų84.871%0.71146%0.463SS*.THydrogen-bonded Turntrans61.221.3-174.700000114.2K71K71-G75 CarbonylContact O-C 3.44Å; K71-G75 VanDerWaalsContact O-CA 3.24Å; K71-G75 WeakPolarHBondContact O-CA 3.46Å; K71-G75 PolarHBondContact O-N 2.86Å
76C92.8Very high91.2Very high20 Ų2080.7 Ų80.714%0.13544%0.444CS..  trans-80.3123.6-170.5-179.20000112.1K71 S74 G78K71-C76 WeakPolarHBondContact CB-O 3.44Å; K71-C76 VanDerWaalsContact CG-O 3.27Å; K71-C76 WeakPolarHBondContact CG-O 3.41Å; K71-C76 PolarHBondContact O-N 3.28Å; S74-C76 PolarHBondContact O-N 2.87Å; S74-C76 VanDerWaalsContact OG-CB 3.31Å; S74-C76 WeakPolarHBondContact OG-CB 3.46Å; C76-G78 PolarHBondContact O-N 3.41Å; C76-G78 PolarHBondContact SG-N 2.78Å; C76-G78 VanDerWaalsContact SG-N 3.38Å
77S90.9Very high91.2Very high81 Ų8183.2 Ų83.257%0.56646%0.459SS*.  trans-58.3-33.1174.366.50000112.7K71 V79K71-S77 PolarHBondContact NZ-O 3.03Å; S77-V79 PolarHBondContact O-N 2.95Å; S77-V79 PolarHBondContact OG-N 3.34Å
78G89.2Confident91.2Very high12 Ų1289.5 Ų89.512%0.12449%0.491CS..  trans69.518.2-17000000114.3P55 C76P55-G78 VanDerWaalsContact CG-O 3.31Å; P55-G78 WeakPolarHBondContact CG-O 3.27Å; C76-G78 PolarHBondContact O-N 3.41Å; C76-G78 PolarHBondContact SG-N 2.78Å; C76-G78 VanDerWaalsContact SG-N 3.38Å
79V90.6Very high91.2Very high105 Ų10588.5 Ų88.564%0.63650%0.499SS*.SBendtrans-108.8128.2171.3-178.20000108.6A56 S77 N81A56-V79 VanDerWaalsContact CB-O 3.31Å; A56-V79 WeakPolarHBondContact CB-O 3.41Å; S77-V79 PolarHBondContact O-N 2.95Å; S77-V79 PolarHBondContact OG-N 3.34Å; V79-N81 PolarHBondContact O-N 3.49Å
80R89.8Confident91.1Very high148 Ų14890 Ų9056%0.55851%0.508SS*.  trans-59.8129.2176.4-179.1176.5170.5117.7-6.5109.8P55 K82P55-R80 HydrophobicContact CB-CB 4.28Å; P55-R80 WeakPolarHBondContact O-CA 3.39Å; P55-R80 VanDerWaalsContact O-CB 3.3Å; P55-R80 WeakPolarHBondContact O-CB 3.35Å; R80-K82 PolarHBondContact O-N 3.24Å
81N87.7Confident91Very high98 Ų9893.5 Ų93.552%0.52452%0.523SS..  trans-69.4103.3167.4-173.2-4.3000108.8V79 T83 A84V79-N81 PolarHBondContact O-N 3.49Å; N81-T83 VanDerWaalsContact C-N 3.25Å; N81-T83 PolarHBondContact O-N 3.19Å; N81-T83 PolarHBondContact OD1-N 3.29Å; N81-T83 PolarHBondContact OD1-OG1 2.79Å; N81-A84 HydrophobicContact CB-CB 4.35Å; N81-A84 PolarHBondContact OD1-N 3.35Å
82K87.8Confident91Very high96 Ų9694 Ų9442%0.41753%0.528SS..THydrogen-bonded Turntrans-70.3-21.9177.4-70.5-168.7-179-179.80112.6R80 F102 D105R80-K82 PolarHBondContact O-N 3.24Å; K82-F102 HydrophobicContact CB-CD2 4.03Å; K82-F102 HydrophobicContact CB-CE2 4.46Å; K82-F102 HydrophobicContact CD-CD2 3.67Å; K82-F102 HydrophobicContact CD-CE2 4.42Å; K82-F102 HydrophobicContact CD-CG 4.48Å; K82-D105 IonicContact NZ-OD2 2.61Å; K82-D105 PolarHBondContact NZ-OD2 3.05Å
83T88.8Confident91Very high97 Ų9795 Ų9560%0.59553%0.529SS*.THydrogen-bonded Turntrans-112.735-175.161.90000111.4N81 F102N81-T83 VanDerWaalsContact C-N 3.25Å; N81-T83 PolarHBondContact O-N 3.19Å; N81-T83 PolarHBondContact OD1-N 3.29Å; N81-T83 PolarHBondContact OD1-OG1 2.79Å; T83-F102 HydrophobicContact CG2-CE1 3.89Å; T83-F102 HydrophobicContact CG2-CE2 4.25Å; T83-F102 HydrophobicContact CG2-CZ 3.69Å
84A89Confident91Very high56 Ų5695.7 Ų95.746%0.46353%0.531SS..  trans-70.5132.6174.300000109.6N81 V86N81-A84 HydrophobicContact CB-CB 4.35Å; N81-A84 PolarHBondContact OD1-N 3.35Å; A84-V86 PolarHBondContact O-N 3.14Å
85F91Very high91.1Very high187 Ų18793.4 Ų93.482%0.8251%0.513SS*.  trans-66.9128178.4177.5-106.3000111T87F85-T87 HydrophobicContact CE1-CG2 3.88Å
86V90.5Very high91.2Very high53 Ų5394.6 Ų94.632%0.32150%0.503SS..  trans-116.7128.1173.7-178.60000108A84 H90 F91 T95A84-V86 PolarHBondContact O-N 3.14Å; V86-H90 HydrophobicContact CG1-CB 4.02Å; V86-H90 WeakPolarHBondContact CG1-O 3.49Å; V86-F91 HydrophobicContact CG1-CB 4.49Å; V86-T95 HydrophobicContact CB-CG2 4.23Å; V86-T95 HydrophobicContact CG1-CG2 4.37Å; V86-T95 HydrophobicContact CG2-CG2 3.95Å
87T94Very high91.3Very high62 Ų6296.8 Ų96.838%0.3851%0.513SS..  trans-68.3149.3175.767.50000110.5F85 S89 H90 F91F85-T87 HydrophobicContact CE1-CG2 3.88Å; T87-S89 PolarHBondContact O-N 3.17Å; T87-S89 PolarHBondContact OG1-OG 3.29Å; T87-S89 VanDerWaalsContact OG1-OG 3.08Å; T87-H90 CarbonylContact O-C 3.53Å; T87-H90 PolarHBondContact O-N 3.43Å; T87-H90 PolarHBondContact OG1-ND1 3.1Å; T87-F91 PolarHBondContact O-N 3.17Å; T87-F91 VanDerWaalsContact O-N 3.13Å
88L91.9Very high91.3Very high165 Ų16594.5 Ų94.586%0.86450%0.497SS*.G310 helixtrans-55.1-29.4179.6-67.4174.3000113.6H90 F91L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 3.37Å; L88-F91 PolarHBondContact O-N 2.86Å
89S94.3Very high91.4Very high102 Ų10296.8 Ų96.871%0.71351%0.506SS*.G310 helixtrans-72.5-17.217761.10000114.3T87T87-S89 PolarHBondContact O-N 3.17Å; T87-S89 PolarHBondContact OG1-OG 3.29Å; T87-S89 VanDerWaalsContact OG1-OG 3.08Å
90H91Very high91.6Very high138 Ų13898.1 Ų98.164%0.63950%0.501SS*.G310 helixtrans-114.47.4178.4-67.157.2000111.9V86 T87 L88 D92V86-H90 HydrophobicContact CG1-CB 4.02Å; V86-H90 WeakPolarHBondContact CG1-O 3.49Å; T87-H90 CarbonylContact O-C 3.53Å; T87-H90 PolarHBondContact O-N 3.43Å; T87-H90 PolarHBondContact OG1-ND1 3.1Å; L88-H90 VanDerWaalsContact C-N 3.27Å; L88-H90 PolarHBondContact O-N 3.37Å; H90-D92 PolarHBondContact O-N 2.98Å
91F92.9Very high91.8Very high87 Ų8798.8 Ų98.838%0.38250%0.503SS..  trans-79.6102.6179.2-173.1-94.6000109.6V86 T87 L88 T95 L96V86-F91 HydrophobicContact CG1-CB 4.49Å; T87-F91 PolarHBondContact O-N 3.17Å; T87-F91 VanDerWaalsContact O-N 3.13Å; L88-F91 PolarHBondContact O-N 2.86Å; F91-T95 HydrophobicContact CD2-CG2 3.67Å; F91-T95 HydrophobicContact CE2-CG2 3.7Å; F91-L96 HydrophobicContact CE1-CB 3.98Å; F91-L96 HydrophobicContact CE1-CD1 4.27Å; F91-L96 HydrophobicContact CZ-CB 3.82Å; F91-L96 HydrophobicContact CZ-CD1 3.94Å; F91-L96 HydrophobicContact CZ-CG 4.47Å
92D93.6Very high92.1Very high79 Ų7997.2 Ų97.242%0.42249%0.492SS..  trans-103.7170.8-179.871.2-14.3000112.4H90 M94 T95 L96H90-D92 PolarHBondContact O-N 2.98Å; D92-M94 PolarHBondContact O-N 3Å; D92-T95 WeakPolarHBondContact O-CB 3.3Å; D92-T95 PolarHBondContact O-N 2.92Å; D92-T95 VanDerWaalsContact O-N 3.08Å; D92-T95 VanDerWaalsContact OD1-CB 3.23Å; D92-T95 WeakPolarHBondContact OD1-CB 3.14Å; D92-T95 PolarHBondContact OD1-N 3.5Å; D92-T95 PolarHBondContact OD1-OG1 3.29Å; D92-L96 PolarHBondContact O-N 2.87Å
93E94.6Very high92.4Very high148 Ų14898.2 Ų98.269%0.69250%0.501SS*.Hα-helixtrans-59-30.1177-171.4177.7-174.700112.1L96 L97E93-L96 PolarHBondContact O-N 3.1Å; E93-L97 HydrophobicContact CG-CD1 4.36Å; E93-L97 WeakPolarHBondContact O-CB 3.2Å; E93-L97 VanDerWaalsContact O-CG 3.27Å; E93-L97 WeakPolarHBondContact O-CG 3.42Å; E93-L97 PolarHBondContact O-N 2.84Å
94M91.3Very high92.7Very high131 Ų13196.6 Ų96.665%0.64549%0.487SS*.Hα-helixtrans-70-35.3176.5-61.4-58.1-57.900112.5D92 L97 S98D92-M94 PolarHBondContact O-N 3Å; M94-L97 HydrophobicContact SD-CD1 4.46Å; M94-S98 WeakPolarHBondContact O-CB 3.38Å; M94-S98 PolarHBondContact O-N 3.49Å
95T90.7Very high92.9Very high27 Ų2797.4 Ų97.417%0.16648%0.484CS..Hα-helixtrans-68.3-46.4172.1-57.50000110.1V86 F91 D92 L97 S98 D99V86-T95 HydrophobicContact CB-CG2 4.23Å; V86-T95 HydrophobicContact CG1-CG2 4.37Å; V86-T95 HydrophobicContact CG2-CG2 3.95Å; F91-T95 HydrophobicContact CD2-CG2 3.67Å; F91-T95 HydrophobicContact CE2-CG2 3.7Å; D92-T95 WeakPolarHBondContact O-CB 3.3Å; D92-T95 PolarHBondContact O-N 2.92Å; D92-T95 VanDerWaalsContact O-N 3.08Å; D92-T95 VanDerWaalsContact OD1-CB 3.23Å; D92-T95 WeakPolarHBondContact OD1-CB 3.14Å; D92-T95 PolarHBondContact OD1-N 3.5Å; D92-T95 PolarHBondContact OD1-OG1 3.29Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 3.15Å; T95-S98 WeakPolarHBondContact O-CA 3.24Å; T95-S98 VanDerWaalsContact O-CB 3.29Å; T95-S98 WeakPolarHBondContact O-CB 3.48Å; T95-S98 PolarHBondContact O-N 2.82Å; T95-D99 PolarHBondContact O-N 2.94Å
96L93.1Very high93Very high94 Ų9491.7 Ų91.749%0.49246%0.464SS..Hα-helixtrans-55.7-44.5174.1179.864.4000112.4F91 D92 E93 S98 D99 Y100F91-L96 HydrophobicContact CE1-CB 3.98Å; F91-L96 HydrophobicContact CE1-CD1 4.27Å; F91-L96 HydrophobicContact CZ-CB 3.82Å; F91-L96 HydrophobicContact CZ-CD1 3.94Å; F91-L96 HydrophobicContact CZ-CG 4.47Å; D92-L96 PolarHBondContact O-N 2.87Å; E93-L96 PolarHBondContact O-N 3.1Å; L96-S98 VanDerWaalsContact C-N 3.34Å; L96-D99 PolarHBondContact O-N 3.35Å; L96-Y100 WeakPolarHBondContact O-CB 3.32Å; L96-Y100 PolarHBondContact O-N 2.79Å
97L94Very high93.1Very high66 Ų6690.6 Ų90.635%0.34646%0.463SS..Hα-helixtrans-67.8-31.6176-73.1170.4000113E93 M94 T95 R101E93-L97 HydrophobicContact CG-CD1 4.36Å; E93-L97 WeakPolarHBondContact O-CB 3.2Å; E93-L97 VanDerWaalsContact O-CG 3.27Å; E93-L97 WeakPolarHBondContact O-CG 3.42Å; E93-L97 PolarHBondContact O-N 2.84Å; M94-L97 HydrophobicContact SD-CD1 4.46Å; T95-L97 VanDerWaalsContact C-N 3.32Å; T95-L97 PolarHBondContact O-N 3.15Å; L97-R101 WeakPolarHBondContact O-CB 3.43Å; L97-R101 WeakPolarHBondContact O-CD 3.48Å; L97-R101 VanDerWaalsContact O-CG 3.23Å; L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 3.32Å
98S90.9Very high93Very high33 Ų3395.3 Ų95.323%0.23147%0.474CS..Hα-helixtrans-65.1-46172.7179.80000110.8M94 T95 L96 R101 F102M94-S98 WeakPolarHBondContact O-CB 3.38Å; M94-S98 PolarHBondContact O-N 3.49Å; T95-S98 WeakPolarHBondContact O-CA 3.24Å; T95-S98 VanDerWaalsContact O-CB 3.29Å; T95-S98 WeakPolarHBondContact O-CB 3.48Å; T95-S98 PolarHBondContact O-N 2.82Å; L96-S98 VanDerWaalsContact C-N 3.34Å; S98-R101 PolarHBondContact O-N 3.17Å; S98-F102 WeakPolarHBondContact O-CB 3.23Å; S98-F102 PolarHBondContact O-N 3.39Å
99D92.4Very high92.9Very high60 Ų6095.2 Ų95.232%0.32147%0.467SS..Hα-helixtrans-69.7-43.1-178.5-68.3-6000111.5T95 L96 R101 F102 L103T95-D99 PolarHBondContact O-N 2.94Å; L96-D99 PolarHBondContact O-N 3.35Å; D99-R101 VanDerWaalsContact C-N 3.34Å; D99-R101 PolarHBondContact O-N 2.99Å; D99-F102 WeakPolarHBondContact O-CB 3.42Å; D99-F102 PolarHBondContact O-N 3.39Å; D99-F102 VanDerWaalsContact O-N 3.13Å; D99-L103 WeakPolarHBondContact O-CG 3.39Å; D99-L103 PolarHBondContact O-N 2.99Å
100Y94.3Very high92.6Very high133 Ų13392.7 Ų92.752%0.52245%0.452SS..Hα-helixtrans-55.8-47.3173176.4-92.6000111.8L96 F102 L103 E104L96-Y100 WeakPolarHBondContact O-CB 3.32Å; L96-Y100 PolarHBondContact O-N 2.79Å; Y100-F102 VanDerWaalsContact C-N 3.34Å; Y100-F102 PolarHBondContact O-N 3.13Å; Y100-L103 PolarHBondContact O-N 2.77Å; Y100-E104 HydrophobicContact CD1-CG 4.48Å; Y100-E104 HydrophobicContact CE1-CG 3.84Å; Y100-E104 WeakPolarHBondContact CE1-OE1 3.19Å; Y100-E104 PolarHBondContact O-N 3.19Å; Y100-E104 PolarHBondContact OH-OE1 2.8Å
101R94.1Very high92.4Very high162 Ų16290.8 Ų90.861%0.61145%0.447SS*.Hα-helixtrans-66-34.7176.5-72.4172.7-176-179.53.9112.6L97 S98 D99 E104 D105L97-R101 WeakPolarHBondContact O-CB 3.43Å; L97-R101 WeakPolarHBondContact O-CD 3.48Å; L97-R101 VanDerWaalsContact O-CG 3.23Å; L97-R101 WeakPolarHBondContact O-CG 3.27Å; L97-R101 PolarHBondContact O-N 3.32Å; S98-R101 PolarHBondContact O-N 3.17Å; D99-R101 VanDerWaalsContact C-N 3.34Å; D99-R101 PolarHBondContact O-N 2.99Å; R101-E104 PolarHBondContact O-N 3.08Å; R101-D105 WeakPolarHBondContact O-CB 3.23Å; R101-D105 VanDerWaalsContact O-CG 3.29Å; R101-D105 PolarHBondContact O-N 3.46Å
102F93.1Very high92.1Very high65 Ų6588.6 Ų88.629%0.28545%0.448SS..Hα-helixtrans-65.4-39.3174.1169.6-110.1000112K82 T83 S98 D99 Y100 D105 T106K82-F102 HydrophobicContact CB-CD2 4.03Å; K82-F102 HydrophobicContact CB-CE2 4.46Å; K82-F102 HydrophobicContact CD-CD2 3.67Å; K82-F102 HydrophobicContact CD-CE2 4.42Å; K82-F102 HydrophobicContact CD-CG 4.48Å; T83-F102 HydrophobicContact CG2-CE1 3.89Å; T83-F102 HydrophobicContact CG2-CE2 4.25Å; T83-F102 HydrophobicContact CG2-CZ 3.69Å; S98-F102 WeakPolarHBondContact O-CB 3.23Å; S98-F102 PolarHBondContact O-N 3.39Å; D99-F102 WeakPolarHBondContact O-CB 3.42Å; D99-F102 PolarHBondContact O-N 3.39Å; D99-F102 VanDerWaalsContact O-N 3.13Å; Y100-F102 VanDerWaalsContact C-N 3.34Å; Y100-F102 PolarHBondContact O-N 3.13Å; F102-D105 PolarHBondContact O-N 2.91Å; F102-T106 WeakPolarHBondContact O-CB 3.38Å; F102-T106 PolarHBondContact O-N 3.09Å; F102-T106 PolarHBondContact O-OG1 2.91Å
103L94.6Very high91.5Very high118 Ų11886.2 Ų86.262%0.61844%0.44SS*.Hα-helixtrans-67.5-41.7173.6-66.9175.9000111.8D99 Y100 T106 G107D99-L103 WeakPolarHBondContact O-CG 3.39Å; D99-L103 PolarHBondContact O-N 2.99Å; Y100-L103 PolarHBondContact O-N 2.77Å; L103-T106 PolarHBondContact O-N 2.69Å; L103-G107 PolarHBondContact O-N 3.15Å
104E95.4Very high90.9Very high63 Ų6382.7 Ų82.729%0.29443%0.429SS..Hα-helixtrans-60.5-47.8171.3-81.8-159.1-175.100112.4Y100 R101 T106 G107 R108Y100-E104 HydrophobicContact CD1-CG 4.48Å; Y100-E104 HydrophobicContact CE1-CG 3.84Å; Y100-E104 WeakPolarHBondContact CE1-OE1 3.19Å; Y100-E104 PolarHBondContact O-N 3.19Å; Y100-E104 PolarHBondContact OH-OE1 2.8Å; R101-E104 PolarHBondContact O-N 3.08Å; E104-T106 VanDerWaalsContact C-N 3.26Å; E104-T106 PolarHBondContact O-N 2.89Å; E104-G107 PolarHBondContact O-N 3.4Å; E104-R108 WeakPolarHBondContact O-CB 3.48Å; E104-R108 VanDerWaalsContact O-CG 3.24Å; E104-R108 WeakPolarHBondContact O-CG 3.11Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE2-CZ 3.59Å; E104-R108 IonicContact OE2-NE 3.71Å; E104-R108 IonicContact OE2-NH2 2.69Å; E104-R108 PolarHBondContact OE2-NH2 3.23Å
105D92.9Very high90.3Very high73 Ų7386.5 Ų86.539%0.3944%0.436SS..Hα-helixtrans-56.9-42.6177.1-79.7-17.9000110.9K82 R101 F102 F109K82-D105 IonicContact NZ-OD2 2.61Å; K82-D105 PolarHBondContact NZ-OD2 3.05Å; R101-D105 WeakPolarHBondContact O-CB 3.23Å; R101-D105 VanDerWaalsContact O-CG 3.29Å; R101-D105 PolarHBondContact O-N 3.46Å; F102-D105 PolarHBondContact O-N 2.91Å; D105-F109 WeakPolarHBondContact O-CB 3.44Å; D105-F109 PolarHBondContact O-N 2.78Å
106T92.7Very high89.7Confident66 Ų6688.1 Ų88.141%0.40544%0.443SS..Hα-helixtrans-68.1-41.6178.9-570000111.4F102 L103 E104 F109 A110F102-T106 WeakPolarHBondContact O-CB 3.38Å; F102-T106 PolarHBondContact O-N 3.09Å; F102-T106 PolarHBondContact O-OG1 2.91Å; L103-T106 PolarHBondContact O-N 2.69Å; E104-T106 VanDerWaalsContact C-N 3.26Å; E104-T106 PolarHBondContact O-N 2.89Å; T106-F109 PolarHBondContact O-N 2.71Å; T106-A110 WeakPolarHBondContact O-CB 3.39Å; T106-A110 PolarHBondContact O-N 3.44Å
107G93.2Very high88.5Confident30 Ų3088.9 Ų88.931%0.30945%0.448SS..Hα-helixtrans-60.2-50.9172.900000111.7L103 E104 F109 A110 D111L103-G107 PolarHBondContact O-N 3.15Å; E104-G107 PolarHBondContact O-N 3.4Å; G107-F109 VanDerWaalsContact C-N 3.27Å; G107-F109 PolarHBondContact O-N 3.41Å; G107-A110 PolarHBondContact O-N 2.59Å; G107-A110 VanDerWaalsContact O-N 3.11Å; G107-D111 WeakPolarHBondContact O-CB 3.23Å; G107-D111 PolarHBondContact O-N 3.39Å
108R92.3Very high87.2Confident161 Ų16191.1 Ų91.161%0.60846%0.46SS*.Hα-helixtrans-58.6-36.4176.2-67.6169.6-165.6-143.28.5112.6E104 G112E104-R108 WeakPolarHBondContact O-CB 3.48Å; E104-R108 VanDerWaalsContact O-CG 3.24Å; E104-R108 WeakPolarHBondContact O-CG 3.11Å; E104-R108 PolarHBondContact O-N 3.19Å; E104-R108 IonicContact OE2-CZ 3.59Å; E104-R108 IonicContact OE2-NE 3.71Å; E104-R108 IonicContact OE2-NH2 2.69Å; E104-R108 PolarHBondContact OE2-NH2 3.23Å; R108-G112 PolarHBondContact O-N 3.03Å
109F88.9Confident86.1Confident164 Ų16494.3 Ų94.372%0.71947%0.473SS*.Hα-helixtrans-69-43.1175.2-178.1-95.6000112D105 T106 G107 G112 A113D105-F109 WeakPolarHBondContact O-CB 3.44Å; D105-F109 PolarHBondContact O-N 2.78Å; T106-F109 PolarHBondContact O-N 2.71Å; G107-F109 VanDerWaalsContact C-N 3.27Å; G107-F109 PolarHBondContact O-N 3.41Å; F109-G112 PolarHBondContact O-N 2.79Å; F109-A113 WeakPolarHBondContact O-CB 3.4Å; F109-A113 PolarHBondContact O-N 3.35Å
110A88.8Confident84.8Confident48 Ų4897.1 Ų97.140%0.39748%0.484SS..Hα-helixtrans-66.3-40.7175.300000112.4T106 G107 G112 A113 T114T106-A110 WeakPolarHBondContact O-CB 3.39Å; T106-A110 PolarHBondContact O-N 3.44Å; G107-A110 PolarHBondContact O-N 2.59Å; G107-A110 VanDerWaalsContact O-N 3.11Å; A110-G112 VanDerWaalsContact C-N 3.35Å; A110-A113 PolarHBondContact O-N 3.01Å; A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 WeakPolarHBondContact O-CG2 3.26Å; A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.83Å
111D87.4Confident83.2Confident99 Ų9993.8 Ų93.853%0.52948%0.484SS..Hα-helixtrans-64.8-38.8173.7-73-12.7000111.5G107 T114 R115G107-D111 WeakPolarHBondContact O-CB 3.23Å; G107-D111 PolarHBondContact O-N 3.39Å; D111-T114 WeakPolarHBondContact CA-OG1 3.34Å; D111-T114 PolarHBondContact O-N 3.49Å; D111-T114 PolarHBondContact O-OG1 2.86Å; D111-R115 VanDerWaalsContact O-CB 3.31Å; D111-R115 WeakPolarHBondContact O-CB 3.29Å; D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.5Å; D111-R115 PolarHBondContact O-N 2.94Å
112G85.3Confident81.7Confident40 Ų4089.1 Ų89.141%0.41248%0.475SS..Hα-helixtrans-61.2-48.8171.600000111.7R108 F109 A110 T114 R115 D116R108-G112 PolarHBondContact O-N 3.03Å; F109-G112 PolarHBondContact O-N 2.79Å; A110-G112 VanDerWaalsContact C-N 3.35Å; G112-T114 PolarHBondContact O-N 2.89Å; G112-R115 CarbonylContact O-C 3.56Å; G112-R115 PolarHBondContact O-N 2.83Å; G112-R115 VanDerWaalsContact O-N 3.15Å; G112-D116 PolarHBondContact O-N 2.85Å
113A82.3Confident80.4Confident29 Ų2994.6 Ų94.624%0.2449%0.494CS..Hα-helixtrans-66.5-32.5178.600000113.5F109 A110 R115 I119F109-A113 WeakPolarHBondContact O-CB 3.4Å; F109-A113 PolarHBondContact O-N 3.35Å; A110-A113 PolarHBondContact O-N 3.01Å; A113-R115 VanDerWaalsContact C-N 3.32Å; A113-I119 HydrophobicContact CB-CD1 3.97Å; A113-I119 WeakPolarHBondContact O-CB 3.48Å; A113-I119 WeakPolarHBondContact O-CG2 3.48Å
114T80.6Confident79.4Confident75 Ų7592.8 Ų92.846%0.4649%0.487SS..Hα-helixtrans-80.9-11.3174.254.90000113.3A110 D111 G112 Q120A110-T114 WeakPolarHBondContact O-CB 3.48Å; A110-T114 WeakPolarHBondContact O-CG2 3.26Å; A110-T114 PolarHBondContact O-N 3.42Å; A110-T114 PolarHBondContact O-OG1 2.83Å; D111-T114 WeakPolarHBondContact CA-OG1 3.34Å; D111-T114 PolarHBondContact O-N 3.49Å; D111-T114 PolarHBondContact O-OG1 2.86Å; G112-T114 PolarHBondContact O-N 2.89Å; T114-Q120 WeakPolarHBondContact O-CG 3.39Å; T114-Q120 PolarHBondContact O-NE2 2.92Å
115R80.4Confident78.8Confident210 Ų21093.2 Ų93.279%0.79249%0.494SS*.Hα-helixtrans-99-8.6170.3-74.3174.1161.4-164.6-5.4113.7D111 G112 A113 D117D111-R115 VanDerWaalsContact O-CB 3.31Å; D111-R115 WeakPolarHBondContact O-CB 3.29Å; D111-R115 VanDerWaalsContact O-CG 3.26Å; D111-R115 WeakPolarHBondContact O-CG 3.5Å; D111-R115 PolarHBondContact O-N 2.94Å; G112-R115 CarbonylContact O-C 3.56Å; G112-R115 PolarHBondContact O-N 2.83Å; G112-R115 VanDerWaalsContact O-N 3.15Å; A113-R115 VanDerWaalsContact C-N 3.32Å; R115-D117 PolarHBondContact O-N 3.24Å
116D77.4Confident78.4Confident62 Ų6296 Ų9633%0.33251%0.509SS..  trans-73.9110.1174.4-171.5-16.7000109.8G112 L118 I119 Q120G112-D116 PolarHBondContact O-N 2.85Å; D116-L118 PolarHBondContact O-N 2.88Å; D116-L118 VanDerWaalsContact O-N 3.11Å; D116-L118 WeakPolarHBondContact OD1-CB 3.41Å; D116-L118 WeakPolarHBondContact OD1-CG 3.37Å; D116-L118 PolarHBondContact OD1-N 3.18Å; D116-I119 HydrophobicContact CB-CB 4.23Å; D116-I119 HydrophobicContact CB-CD1 3.99Å; D116-I119 HydrophobicContact CB-CG1 4Å; D116-I119 WeakPolarHBondContact O-CA 3.49Å; D116-I119 PolarHBondContact O-N 3.27Å; D116-Q120 PolarHBondContact O-N 2.67Å
117D67.8Low78.2Confident110 Ų11097.7 Ų97.759%0.58851%0.51SS*.Hα-helixtrans-52.7-29.2175.6-79.3-14.7000113R115 I119 A121R115-D117 PolarHBondContact O-N 3.24Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 2.75Å; D117-A121 CarbonylContact O-C 3.59Å; D117-A121 PolarHBondContact O-N 2.93Å
118L66.1Low78Confident112 Ų11296.7 Ų96.759%0.58650%0.499SS*.Hα-helixtrans-71.3-25.1178.1-55.3177.4000112.3D116D116-L118 PolarHBondContact O-N 2.88Å; D116-L118 VanDerWaalsContact O-N 3.11Å; D116-L118 WeakPolarHBondContact OD1-CB 3.41Å; D116-L118 WeakPolarHBondContact OD1-CG 3.37Å; D116-L118 PolarHBondContact OD1-N 3.18Å
119I67.9Low77.9Confident101 Ų10194.6 Ų94.652%0.51850%0.495SS..Hα-helixtrans-93.8-45.2-179.9-60.6-178.6000110.7A113 D116 D117A113-I119 HydrophobicContact CB-CD1 3.97Å; A113-I119 WeakPolarHBondContact O-CB 3.48Å; A113-I119 WeakPolarHBondContact O-CG2 3.48Å; D116-I119 HydrophobicContact CB-CB 4.23Å; D116-I119 HydrophobicContact CB-CD1 3.99Å; D116-I119 HydrophobicContact CB-CG1 4Å; D116-I119 WeakPolarHBondContact O-CA 3.49Å; D116-I119 PolarHBondContact O-N 3.27Å; D117-I119 VanDerWaalsContact C-N 3.28Å; D117-I119 PolarHBondContact O-N 2.75Å
120Q64.9Low78.1Confident119 Ų11993.8 Ų93.856%0.55649%0.491SS*.Hα-helixtrans-65.6-49.1-179.2-81.3-68.4-4.100113.1T114 D116 P122T114-Q120 WeakPolarHBondContact O-CG 3.39Å; T114-Q120 PolarHBondContact O-NE2 2.92Å; D116-Q120 PolarHBondContact O-N 2.67Å; Q120-P122 WeakPolarHBondContact O-CD 3.02Å
121A61.7Low78.3Confident62 Ų6292.1 Ų92.151%0.51248%0.475SS..SBendtrans-119.979179.300000108.2D117 R123D117-A121 CarbonylContact O-C 3.59Å; D117-A121 PolarHBondContact O-N 2.93Å; A121-R123 PolarHBondContact O-N 2.81Å
122P62Low78.7Confident64 Ų6488.4 Ų88.442%0.41646%0.456SS..  trans-52.5112.8177.421.7-33000107.9Q120 T124 P146Q120-P122 WeakPolarHBondContact O-CD 3.02Å; P122-T124 PolarHBondContact O-N 3.03Å; P122-P146 HydrophobicContact CB-CG 4.45Å
123R66.2Low79.1Confident181 Ų18189.2 Ų89.268%0.68346%0.455SS*.  trans-68.581.2-165.3-70.4-173178.5-174.80.7110.3A121 T125A121-R123 PolarHBondContact O-N 2.81Å; R123-T125 PolarHBondContact O-N 2.89Å
124T73.2Confident79.6Confident79 Ų7989.7 Ų89.749%0.48545%0.452SS..  trans-61.4109.9175.750.80000108.2P122 K129P122-T124 PolarHBondContact O-N 3.03Å; T124-K129 WeakPolarHBondContact O-CE 3.38Å; T124-K129 WeakPolarHBondContact OG1-CE 3.45Å
125T82.8Confident80.3Confident72 Ų7286.1 Ų86.144%0.44243%0.43SS..  trans-58.8151.2-176.963.60000110.3R123 K127 A128 K129R123-T125 PolarHBondContact O-N 2.89Å; T125-K127 PolarHBondContact O-N 3.15Å; T125-A128 PolarHBondContact O-N 3.25Å; T125-A128 WeakPolarHBondContact OG1-CB 3.41Å; T125-A128 PolarHBondContact OG1-N 3.38Å; T125-K129 PolarHBondContact O-N 2.98Å
126L85.4Confident80.9Confident132 Ų13284.4 Ų84.469%0.69142%0.424SS*.Hα-helixtrans-56.4-33.5174.8-63.6178.5000111.1K129 K130L126-K129 PolarHBondContact O-N 3.22Å; L126-K130 WeakPolarHBondContact O-CB 3.35Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 3.23Å
127K87.8Confident81.7Confident101 Ų10188.8 Ų88.844%0.43944%0.44SS..Hα-helixtrans-58.2-52.4169.8-174.5-178.4177-173.10112T125 K129 K130 L131 W158T125-K127 PolarHBondContact O-N 3.15Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K127-K129 PolarHBondContact O-N 2.88Å; K127-K130 PolarHBondContact O-N 3.13Å; K127-L131 HydrophobicContact CG-CD1 4.12Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å; K127-L131 PolarHBondContact O-N 3.08Å; K127-W158 HydrophobicContact CD-CZ3 4.46Å
128A89.6Confident82.7Confident9 Ų985 Ų857%0.07442%0.419CS..Hα-helixtrans-61.1-39.217800000112.6T125 L131 T132 F144T125-A128 PolarHBondContact O-N 3.25Å; T125-A128 WeakPolarHBondContact OG1-CB 3.41Å; T125-A128 PolarHBondContact OG1-N 3.38Å; A128-L131 PolarHBondContact O-N 3.46Å; A128-T132 WeakPolarHBondContact O-CB 3.4Å; A128-T132 PolarHBondContact O-N 3.32Å; A128-T132 PolarHBondContact O-OG1 3.33Å; A128-F144 HydrophobicContact CB-CD1 4.22Å; A128-F144 HydrophobicContact CB-CD2 3.76Å; A128-F144 HydrophobicContact CB-CE1 4.41Å; A128-F144 HydrophobicContact CB-CE2 3.97Å; A128-F144 HydrophobicContact CB-CG 3.91Å; A128-F144 HydrophobicContact CB-CZ 4.29Å; A128-F144 WeakPolarHBondContact O-CE2 3.45Å
129K90.4Very high84.1Confident118 Ų11883.5 Ų83.551%0.51341%0.412SS..Hα-helixtrans-63.1-46.4173.3-65.7-177.1-175.3179.60111.7T124 T125 L126 K127 T132 S133T124-K129 WeakPolarHBondContact O-CE 3.38Å; T124-K129 WeakPolarHBondContact OG1-CE 3.45Å; T125-K129 PolarHBondContact O-N 2.98Å; L126-K129 PolarHBondContact O-N 3.22Å; K127-K129 VanDerWaalsContact C-N 3.34Å; K127-K129 PolarHBondContact O-N 2.88Å; K129-T132 PolarHBondContact O-N 2.88Å; K129-S133 PolarHBondContact O-N 2.87Å
130K92.4Very high85.4Confident147 Ų14778.7 Ų78.764%0.63939%0.387SS*.Hα-helixtrans-59-48.4174.7-76.2178.8179.3-176.50111.2L126 K127 T132 S133 H134L126-K130 WeakPolarHBondContact O-CB 3.35Å; L126-K130 WeakPolarHBondContact O-CG 3.46Å; L126-K130 PolarHBondContact O-N 3.23Å; K127-K130 PolarHBondContact O-N 3.13Å; K130-T132 PolarHBondContact O-N 2.84Å; K130-S133 WeakPolarHBondContact O-CB 3.45Å; K130-S133 PolarHBondContact O-N 2.82Å; K130-H134 PolarHBondContact O-N 2.81Å; K130-H134 VanDerWaalsContact O-N 3.08Å; K130-H134 PolarHBondContact O-ND1 2.87Å
131L93.4Very high86.8Confident12 Ų1276 Ų766%0.06338%0.379CS..Hα-helixtrans-60.7-44.5177.5-70.6171.1000111.9K127 A128 S133 H134 A135 L142 F144 F159 F166K127-L131 HydrophobicContact CG-CD1 4.12Å; K127-L131 WeakPolarHBondContact O-CG 3.37Å; K127-L131 PolarHBondContact O-N 3.08Å; A128-L131 PolarHBondContact O-N 3.46Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.65Å; L131-H134 PolarHBondContact O-N 2.8Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.76Å; L131-L142 HydrophobicContact CB-CD2 4.28Å; L131-F144 HydrophobicContact CB-CE2 4.21Å; L131-F144 HydrophobicContact CB-CZ 3.88Å; L131-F144 HydrophobicContact CD1-CE1 4.32Å; L131-F144 HydrophobicContact CD1-CZ 3.82Å; L131-F159 HydrophobicContact CD2-CB 3.63Å; L131-F166 HydrophobicContact CD2-CE1 3.98Å
132T94.4Very high88.4Confident22 Ų2273.4 Ų73.414%0.13536%0.357CS..Hα-helixtrans-60-40.3176.3-55.60000112A128 K129 K130 A135 R136 F144A128-T132 WeakPolarHBondContact O-CB 3.4Å; A128-T132 PolarHBondContact O-N 3.32Å; A128-T132 PolarHBondContact O-OG1 3.33Å; K129-T132 PolarHBondContact O-N 2.88Å; K130-T132 PolarHBondContact O-N 2.84Å; T132-A135 PolarHBondContact O-N 2.93Å; T132-R136 VanDerWaalsContact O-CG 3.32Å; T132-R136 WeakPolarHBondContact O-CG 3.46Å; T132-R136 PolarHBondContact O-N 2.77Å; T132-F144 WeakPolarHBondContact OG1-CE2 3.47Å
133S93.6Very high89.8Confident57 Ų5778.1 Ų78.140%0.39937%0.366SS..Hα-helixtrans-64.3-44.6176.4-174.70000112.1K129 K130 L131 R136 K137K129-S133 PolarHBondContact O-N 2.87Å; K130-S133 WeakPolarHBondContact O-CB 3.45Å; K130-S133 PolarHBondContact O-N 2.82Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 2.65Å; S133-R136 PolarHBondContact O-N 3.13Å; S133-K137 WeakPolarHBondContact O-CG 3.23Å; S133-K137 PolarHBondContact O-N 2.92Å
134H94.3Very high91Very high38 Ų3872 Ų7218%0.17635%0.345CS..Hα-helixtrans-66.2-38176-68.598.8000112.7K130 L131 R136 K137 M138 F159 F166K130-H134 PolarHBondContact O-N 2.81Å; K130-H134 VanDerWaalsContact O-N 3.08Å; K130-H134 PolarHBondContact O-ND1 2.87Å; L131-H134 PolarHBondContact O-N 2.8Å; H134-R136 PolarHBondContact O-N 3.12Å; H134-K137 WeakPolarHBondContact O-CB 3.43Å; H134-K137 PolarHBondContact O-N 2.93Å; H134-M138 PolarHBondContact O-N 3.44Å; H134-F159 HydrophobicContact CB-CD1 4.17Å; H134-F159 HydrophobicContact CB-CD2 4.11Å; H134-F159 HydrophobicContact CB-CE1 4.01Å; H134-F159 HydrophobicContact CB-CE2 3.95Å; H134-F159 HydrophobicContact CB-CG 4.21Å; H134-F159 HydrophobicContact CB-CZ 3.89Å; H134-F159 AromaticContact CD2-CD1 3.83Å; H134-F159 AromaticContact CD2-CE1 3.15Å; H134-F159 WeakPolarHBondContact CD2-CE1 3.04Å; H134-F159 AromaticContact CD2-CZ 3.52Å; H134-F159 AromaticContact CG-CD1 3.72Å; H134-F159 AromaticContact CG-CE1 3.48Å; H134-F159 VanDerWaalsContact CG-CE1 3.48Å; H134-F159 AromaticContact CG-CZ 3.82Å; H134-F159 AromaticContact NE2-CE1 3.69Å; H134-F166 HydrophobicContact CB-CE2 4.3Å; H134-F166 HydrophobicContact CB-CZ 3.83Å
135A94.4Very high91.8Very high0 Ų070.9 Ų70.90%034%0.335CS..Hα-helixtrans-62.6-43.2176.600000111.3L131 T132 K137 M138 N139 I140 L142 F166L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 2.76Å; T132-A135 PolarHBondContact O-N 2.93Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.22Å; A135-M138 CarbonylContact O-C 3.2Å; A135-M138 WeakPolarHBondContact O-CA 3.29Å; A135-M138 PolarHBondContact O-N 2.88Å; A135-N139 PolarHBondContact O-N 3.24Å; A135-I140 CarbonylContact C-O 3.57Å; A135-I140 HydrophobicContact CB-CB 4.09Å; A135-I140 HydrophobicContact CB-CG2 4.3Å; A135-I140 PolarHBondContact O-N 3.41Å; A135-L142 HydrophobicContact CB-CB 3.62Å; A135-L142 HydrophobicContact CB-CD2 4.17Å; A135-F166 HydrophobicContact CB-CE2 4.44Å; A135-F166 HydrophobicContact CB-CZ 3.95Å
136R94.3Very high91.9Very high175 Ų17570 Ų7066%0.6633%0.331SS*.Hα-helixtrans-59.4-38.1175-72.2172.8-171.7-173.93.7112.8T132 S133 H134 M138 N139 I140T132-R136 VanDerWaalsContact O-CG 3.32Å; T132-R136 WeakPolarHBondContact O-CG 3.46Å; T132-R136 PolarHBondContact O-N 2.77Å; S133-R136 PolarHBondContact O-N 3.13Å; H134-R136 PolarHBondContact O-N 3.12Å; R136-M138 PolarHBondContact O-N 3.04Å; R136-N139 PolarHBondContact O-N 2.98Å; R136-I140 PolarHBondContact N-O 3.26Å
137K92.8Very high91.8Very high153 Ų15368.3 Ų68.367%0.66533%0.326SS*.Hα-helixtrans-63.7-20174.7-66.1174.6-175.4179.10113.2S133 H134 A135S133-K137 WeakPolarHBondContact O-CG 3.23Å; S133-K137 PolarHBondContact O-N 2.92Å; H134-K137 WeakPolarHBondContact O-CB 3.43Å; H134-K137 PolarHBondContact O-N 2.93Å; A135-K137 VanDerWaalsContact C-N 3.31Å; A135-K137 PolarHBondContact O-N 3.22Å
138M90.3Very high91.6Very high30 Ų3067.7 Ų67.715%0.14833%0.334CS..THydrogen-bonded Turntrans-103.616.3174.4-61.9-175.217700112.9H134 A135 R136 I140 F159 K164 F166H134-M138 PolarHBondContact O-N 3.44Å; A135-M138 CarbonylContact O-C 3.2Å; A135-M138 WeakPolarHBondContact O-CA 3.29Å; A135-M138 PolarHBondContact O-N 2.88Å; R136-M138 PolarHBondContact O-N 3.04Å; M138-I140 HydrophobicContact CB-CD1 4.26Å; M138-I140 HydrophobicContact CB-CG1 4.29Å; M138-I140 PolarHBondContact O-N 3.31Å; M138-F159 HydrophobicContact CE-CE2 3.78Å; M138-F159 HydrophobicContact CE-CZ 4.33Å; M138-K164 WeakPolarHBondContact CE-O 3.38Å; M138-F166 HydrophobicContact CE-CD2 4.24Å; M138-F166 HydrophobicContact CE-CE2 4.36Å; M138-F166 HydrophobicContact SD-CD2 3.62Å; M138-F166 HydrophobicContact SD-CE2 3.69Å
139N94.4Very high91.5Very high81 Ų8172.4 Ų72.443%0.43335%0.353SS..THydrogen-bonded Turntrans60.820.5-175.6-56-48000114.9A135 R136 Y255A135-N139 PolarHBondContact O-N 3.24Å; R136-N139 PolarHBondContact O-N 2.98Å; N139-Y255 HydrophobicContact CB-CD1 3.84Å; N139-Y255 HydrophobicContact CB-CE1 3.64Å; N139-Y255 HydrophobicContact CB-CE2 4.42Å; N139-Y255 HydrophobicContact CB-CG 4.33Å; N139-Y255 PolarHBondContact ND2-OH 3.35Å; N139-Y255 VanDerWaalsContact O-CA 3.26Å; N139-Y255 WeakPolarHBondContact O-CA 3.35Å; N139-Y255 PolarHBondContact O-N 3.36Å
140I95.1Very high91.5Very high0 Ų071.5 Ų71.50%036%0.357CS..  trans-97125.9178.5-58.8176.5000109.6A135 R136 M138 L142 W168 L253 I258A135-I140 CarbonylContact C-O 3.57Å; A135-I140 HydrophobicContact CB-CB 4.09Å; A135-I140 HydrophobicContact CB-CG2 4.3Å; A135-I140 PolarHBondContact O-N 3.41Å; R136-I140 PolarHBondContact N-O 3.26Å; M138-I140 HydrophobicContact CB-CD1 4.26Å; M138-I140 HydrophobicContact CB-CG1 4.29Å; M138-I140 PolarHBondContact O-N 3.31Å; I140-L142 PolarHBondContact O-N 3.36Å; I140-W168 HydrophobicContact CD1-CZ2 4.02Å; I140-W168 HydrophobicContact CG2-CH2 4.46Å; I140-L253 HydrophobicContact CD1-CB 3.94Å; I140-L253 HydrophobicContact CG1-CB 4.41Å; I140-I258 HydrophobicContact CG2-CD1 3.51Å; I140-I258 HydrophobicContact CG2-CG1 4.36Å
141T94.8Very high91.4Very high64 Ų6466.8 Ų66.839%0.39334%0.337SS..EExtended strand (participates in β ladder)trans-89.983.1175.2-600000110.1K256 T257 I258T141-K256 PolarHBondContact N-O 2.83Å; T141-T257 HydrophobicContact CG2-CG2 4.13Å; T141-T257 WeakPolarHBondContact O-CA 3.2Å; T141-I258 PolarHBondContact O-N 3.22Å
142L94.3Very high91.3Very high7 Ų767.4 Ų67.44%0.03734%0.342CS..EExtended strand (participates in β ladder)trans-81.6131.9175.7-172.359.5000111.1L131 A135 I140 F144 W168 I258L131-L142 HydrophobicContact CB-CD2 4.28Å; A135-L142 HydrophobicContact CB-CB 3.62Å; A135-L142 HydrophobicContact CB-CD2 4.17Å; I140-L142 PolarHBondContact O-N 3.36Å; L142-F144 HydrophobicContact CD2-CE2 3.69Å; L142-F144 HydrophobicContact CD2-CZ 3.6Å; L142-F144 HydrophobicContact CG-CD2 4.48Å; L142-F144 HydrophobicContact CG-CE2 3.77Å; L142-F144 HydrophobicContact CG-CZ 4.01Å; L142-W168 HydrophobicContact CD1-CH2 4.37Å; L142-W168 HydrophobicContact CD1-CZ3 4.15Å; L142-W168 HydrophobicContact CD2-CH2 4.38Å; L142-W168 HydrophobicContact CD2-CZ3 4.49Å; L142-I258 HydrophobicContact CD1-CB 4.09Å; L142-I258 HydrophobicContact CD1-CG2 3.99Å
143R92.6Very high91Very high163 Ų16373.5 Ų73.562%0.61537%0.367SS*.EExtended strand (participates in β ladder)trans-128.2145.5172.6-65.5-173.5176-134.4-0109.6I258 I259 E260R143-I258 PolarHBondContact N-O 3.11Å; R143-I259 CarbonylContact O-C 3.6Å; R143-I259 WeakPolarHBondContact O-CA 3.36Å; R143-E260 PolarHBondContact O-N 3.41Å
144F91.5Very high90.9Very high53 Ų5374.4 Ų74.423%0.23237%0.365CS..  trans-108.8149.2176.9-67.9-92.3000110.2A128 L131 T132 L142 E260A128-F144 HydrophobicContact CB-CD1 4.22Å; A128-F144 HydrophobicContact CB-CD2 3.76Å; A128-F144 HydrophobicContact CB-CE1 4.41Å; A128-F144 HydrophobicContact CB-CE2 3.97Å; A128-F144 HydrophobicContact CB-CG 3.91Å; A128-F144 HydrophobicContact CB-CZ 4.29Å; A128-F144 WeakPolarHBondContact O-CE2 3.45Å; L131-F144 HydrophobicContact CB-CE2 4.21Å; L131-F144 HydrophobicContact CB-CZ 3.88Å; L131-F144 HydrophobicContact CD1-CE1 4.32Å; L131-F144 HydrophobicContact CD1-CZ 3.82Å; T132-F144 WeakPolarHBondContact OG1-CE2 3.47Å; L142-F144 HydrophobicContact CD2-CE2 3.69Å; L142-F144 HydrophobicContact CD2-CZ 3.6Å; L142-F144 HydrophobicContact CG-CD2 4.48Å; L142-F144 HydrophobicContact CG-CE2 3.77Å; L142-F144 HydrophobicContact CG-CZ 4.01Å; F144-E260 VanDerWaalsContact CD1-OE2 3.25Å; F144-E260 WeakPolarHBondContact CD1-OE2 3.47Å
145L89.1Confident90.8Very high55 Ų5573.9 Ų73.929%0.28836%0.363SS..  trans-88.5165169.7-65.9171000109.4F149 K151 S152 I259 E260L145-F149 HydrophobicContact CB-CB 4.24Å; L145-F149 HydrophobicContact CB-CD2 4.45Å; L145-F149 HydrophobicContact CB-CG 4.28Å; L145-F149 HydrophobicContact CD1-CB 4.39Å; L145-F149 HydrophobicContact CD1-CD1 4.38Å; L145-F149 HydrophobicContact CD1-CG 4.48Å; L145-K151 HydrophobicContact CD1-CB 4.12Å; L145-K151 HydrophobicContact CD1-CD 4.32Å; L145-S152 PolarHBondContact O-OG 3.28Å; L145-I259 HydrophobicContact CD1-CG2 3.92Å; L145-I259 HydrophobicContact CD2-CG2 3.81Å; L145-I259 HydrophobicContact CG-CG2 3.63Å; L145-E260 WeakPolarHBondContact CA-OE1 3.12Å; L145-E260 HydrophobicContact CB-CG 4.11Å; L145-E260 WeakPolarHBondContact CB-OE1 3.34Å; L145-E260 HydrophobicContact CD1-CG 3.96Å; L145-E260 HydrophobicContact CG-CG 3.98Å; L145-E260 PolarHBondContact N-OE1 3.07Å
146P85.2Confident90.7Very high53 Ų5375.7 Ų75.734%0.34438%0.376SS..  trans-60.5146.6169.2-22.833.8000112.1P122 S148 F149 S152P122-P146 HydrophobicContact CB-CG 4.45Å; P146-S148 PolarHBondContact O-N 3.48Å; P146-F149 HydrophobicContact CB-CD2 3.95Å; P146-F149 HydrophobicContact CB-CE2 4.11Å; P146-F149 HydrophobicContact CG-CD2 4.08Å; P146-F149 HydrophobicContact CG-CE2 3.85Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 WeakPolarHBondContact O-CD2 3.5Å; P146-F149 PolarHBondContact O-N 3.03Å; P146-S152 WeakPolarHBondContact O-CB 3.46Å
147V82.6Confident90.6Very high97 Ų9767.6 Ų67.659%0.58835%0.346SS*.THydrogen-bonded Turntrans-59.4-19.5-176.6177.80000113.5F149 K153V147-F149 VanDerWaalsContact C-N 3.27Å; V147-F149 PolarHBondContact O-N 3.02Å; V147-K153 VanDerWaalsContact O-CE 3.28Å; V147-K153 WeakPolarHBondContact O-CE 3.15Å
148S83.7Confident90.6Very high88 Ų8867 Ų6762%0.61534%0.34SS*.THydrogen-bonded Turntrans-63.8-28.2173.650.30000113.5P146P146-S148 PolarHBondContact O-N 3.48Å
149F87.1Confident90.8Very high108 Ų10866.5 Ų66.547%0.47434%0.337SS..SBendtrans-75.2136-177-74-106.4000112L145 P146 V147 K151 S152 K153L145-F149 HydrophobicContact CB-CB 4.24Å; L145-F149 HydrophobicContact CB-CD2 4.45Å; L145-F149 HydrophobicContact CB-CG 4.28Å; L145-F149 HydrophobicContact CD1-CB 4.39Å; L145-F149 HydrophobicContact CD1-CD1 4.38Å; L145-F149 HydrophobicContact CD1-CG 4.48Å; P146-F149 HydrophobicContact CB-CD2 3.95Å; P146-F149 HydrophobicContact CB-CE2 4.11Å; P146-F149 HydrophobicContact CG-CD2 4.08Å; P146-F149 HydrophobicContact CG-CE2 3.85Å; P146-F149 WeakPolarHBondContact O-CB 3.45Å; P146-F149 WeakPolarHBondContact O-CD2 3.5Å; P146-F149 PolarHBondContact O-N 3.03Å; V147-F149 VanDerWaalsContact C-N 3.27Å; V147-F149 PolarHBondContact O-N 3.02Å; F149-K151 VanDerWaalsContact C-N 3.26Å; F149-K151 PolarHBondContact O-N 3.07Å; F149-S152 WeakPolarHBondContact O-CA 3.5Å; F149-S152 WeakPolarHBondContact O-CB 3.35Å; F149-S152 PolarHBondContact O-N 2.71Å; F149-K153 PolarHBondContact O-N 2.86Å
150T91.3Very high90.7Very high98 Ų9864.8 Ų64.860%0.60133%0.327SS*.Hα-helixtrans-52.8-42.5177.6-39.80000112.4S152 K153 E154T150-S152 PolarHBondContact O-N 2.84Å; T150-K153 WeakPolarHBondContact O-CB 3.32Å; T150-K153 PolarHBondContact O-N 3.35Å; T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.48Å; T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 2.88Å
151K90.9Very high90.5Very high49 Ų4969.5 Ų69.521%0.21336%0.356CS..Hα-helixtrans-60.3-30.5177.4-160.7-176.1-174.2-168.80113.4L145 F149 I259 E260 Y261L145-K151 HydrophobicContact CD1-CB 4.12Å; L145-K151 HydrophobicContact CD1-CD 4.32Å; F149-K151 VanDerWaalsContact C-N 3.26Å; F149-K151 PolarHBondContact O-N 3.07Å; K151-I259 WeakPolarHBondContact CE-O 3.38Å; K151-I259 PolarHBondContact NZ-O 3.28Å; K151-E260 HydrophobicContact CB-CG 4.46Å; K151-E260 HydrophobicContact CD-CB 4Å; K151-E260 HydrophobicContact CD-CG 4.27Å; K151-E260 HydrophobicContact CG-CB 4.01Å; K151-E260 HydrophobicContact CG-CG 4.15Å; K151-Y261 HydrophobicContact CD-CE1 4.32Å; K151-Y261 VanDerWaalsContact CE-CZ 3.44Å; K151-Y261 HydrophobicContact CG-CD1 4.15Å; K151-Y261 HydrophobicContact CG-CE1 3.45Å; K151-Y261 VanDerWaalsContact CG-CE1 3.45Å; K151-Y261 HydrophobicContact CG-CE2 4.38Å; K151-Y261 PolarHBondContact NZ-O 2.84Å; K151-Y261 VanDerWaalsContact NZ-O 3.07Å; K151-Y261 WeakPolarHBondContact O-CE1 3.46Å
152S89.9Confident90.3Very high24 Ų2476.4 Ų76.417%0.16838%0.381CS..Hα-helixtrans-74.9-40.1175.5-154.20000111L145 P146 F149 T150 N155 E260L145-S152 PolarHBondContact O-OG 3.28Å; P146-S152 WeakPolarHBondContact O-CB 3.46Å; F149-S152 WeakPolarHBondContact O-CA 3.5Å; F149-S152 WeakPolarHBondContact O-CB 3.35Å; F149-S152 PolarHBondContact O-N 2.71Å; T150-S152 PolarHBondContact O-N 2.84Å; S152-N155 WeakPolarHBondContact O-CB 3.2Å; S152-N155 PolarHBondContact O-N 3.47Å; S152-E260 WeakPolarHBondContact CA-OE1 3.44Å; S152-E260 WeakPolarHBondContact CB-OE1 3.3Å; S152-E260 PolarHBondContact OG-OE1 2.97Å
153K88.9Confident90Very high150 Ų15081.6 Ų81.665%0.65241%0.405SS*.Hα-helixtrans-66.1-35.5176.6-61.2178.2-178.7178.30113.3V147 F149 T150 N155V147-K153 VanDerWaalsContact O-CE 3.28Å; V147-K153 WeakPolarHBondContact O-CE 3.15Å; F149-K153 PolarHBondContact O-N 2.86Å; T150-K153 WeakPolarHBondContact O-CB 3.32Å; T150-K153 PolarHBondContact O-N 3.35Å; K153-N155 VanDerWaalsContact C-N 3.27Å; K153-N155 PolarHBondContact O-N 2.62Å
154E92.3Very high89.9Confident77 Ų7780.8 Ų80.836%0.3641%0.406SS..THydrogen-bonded Turntrans-70.4-21.6175.3-71.8166.2-175.600113.2T150 S156 H169 Y261T150-E154 HydrophobicContact CG2-CG 4.5Å; T150-E154 WeakPolarHBondContact CG2-OE1 3.48Å; T150-E154 WeakPolarHBondContact O-CG 3.49Å; T150-E154 PolarHBondContact O-N 2.88Å; E154-S156 PolarHBondContact O-N 2.87Å; E154-H169 PolarHBondContact O-CE1 2.88Å; E154-H169 PolarHBondContact O-ND1 3.38Å; E154-Y261 HydrophobicContact CB-CE1 4.09Å; E154-Y261 PolarHBondContact OE2-OH 3.45Å
155N91.6Very high90Very high26 Ų2680.4 Ų80.414%0.13941%0.405CS..  trans-70.9105.7-166.3-170.3-3.6000112.7S152 K153 T157 E260 Y261S152-N155 WeakPolarHBondContact O-CB 3.2Å; S152-N155 PolarHBondContact O-N 3.47Å; K153-N155 VanDerWaalsContact C-N 3.27Å; K153-N155 PolarHBondContact O-N 2.62Å; N155-T157 VanDerWaalsContact CG-OG1 3.32Å; N155-T157 PolarHBondContact ND2-OG1 3.15Å; N155-T157 VanDerWaalsContact OD1-CB 3.25Å; N155-T157 WeakPolarHBondContact OD1-CB 3.46Å; N155-T157 WeakPolarHBondContact OD1-CG2 3.48Å; N155-T157 PolarHBondContact OD1-N 2.91Å; N155-T157 PolarHBondContact OD1-OG1 2.92Å; N155-E260 PolarHBondContact ND2-O 3.18Å; N155-E260 PolarHBondContact ND2-OE2 3.49Å; N155-Y261 HydrophobicContact CB-CD1 4.03Å
156S91.8Very high90.3Very high39 Ų3977.9 Ų77.927%0.27339%0.391SS..  trans-99.724.317577.10000113.7E154 H169 R184E154-S156 PolarHBondContact O-N 2.87Å; S156-H169 PolarHBondContact N-ND1 2.84Å; S156-H169 PolarHBondContact OG-ND1 3.46Å; S156-R184 WeakPolarHBondContact OG-CG 3.34Å
157T93.4Very high90.7Very high5 Ų577.1 Ų77.13%0.03138%0.384CS..  trans-63.4139.3177.549.60000111.9N155 L167 W168 H169N155-T157 VanDerWaalsContact CG-OG1 3.32Å; N155-T157 PolarHBondContact ND2-OG1 3.15Å; N155-T157 VanDerWaalsContact OD1-CB 3.25Å; N155-T157 WeakPolarHBondContact OD1-CB 3.46Å; N155-T157 WeakPolarHBondContact OD1-CG2 3.48Å; N155-T157 PolarHBondContact OD1-N 2.91Å; N155-T157 PolarHBondContact OD1-OG1 2.92Å; T157-L167 WeakPolarHBondContact CA-O 3.38Å; T157-W168 HydrophobicContact CG2-CE3 3.66Å; T157-W168 HydrophobicContact CG2-CZ3 4.16Å; T157-H169 HydrophobicContact CG2-CB 4.01Å
158W92.8Very high91.3Very high141 Ų14172.5 Ų72.553%0.53436%0.356SS..EExtended strand (participates in β ladder)trans-140.8163.8178.6-169.4-98.1000110.7K127 L167K127-W158 HydrophobicContact CD-CZ3 4.46Å; W158-L167 HydrophobicContact CB-CB 4.3Å; W158-L167 PolarHBondContact N-O 2.8Å; W158-L167 PolarHBondContact O-N 3.12Å
159F93.3Very high91.9Very high19 Ų1968.5 Ų68.58%0.08333%0.328CS..EExtended strand (participates in β ladder)trans-135.9124.6178.3-178.4-98.4000110.2L131 H134 M138 T161 K164 Q165 F166L131-F159 HydrophobicContact CD2-CB 3.63Å; H134-F159 HydrophobicContact CB-CD1 4.17Å; H134-F159 HydrophobicContact CB-CD2 4.11Å; H134-F159 HydrophobicContact CB-CE1 4.01Å; H134-F159 HydrophobicContact CB-CE2 3.95Å; H134-F159 HydrophobicContact CB-CG 4.21Å; H134-F159 HydrophobicContact CB-CZ 3.89Å; H134-F159 AromaticContact CD2-CD1 3.83Å; H134-F159 AromaticContact CD2-CE1 3.15Å; H134-F159 WeakPolarHBondContact CD2-CE1 3.04Å; H134-F159 AromaticContact CD2-CZ 3.52Å; H134-F159 AromaticContact CG-CD1 3.72Å; H134-F159 AromaticContact CG-CE1 3.48Å; H134-F159 VanDerWaalsContact CG-CE1 3.48Å; H134-F159 AromaticContact CG-CZ 3.82Å; H134-F159 AromaticContact NE2-CE1 3.69Å; M138-F159 HydrophobicContact CE-CE2 3.78Å; M138-F159 HydrophobicContact CE-CZ 4.33Å; F159-T161 PolarHBondContact O-N 3.46Å; F159-K164 HydrophobicContact CZ-CB 4.29Å; F159-Q165 CarbonylContact C-O 3.6Å; F159-Q165 WeakPolarHBondContact CA-O 3.48Å; F159-Q165 VanDerWaalsContact CD2-O 3.23Å; F159-Q165 WeakPolarHBondContact CD2-O 3.25Å; F159-F166 HydrophobicContact CB-CD1 4.2Å; F159-F166 HydrophobicContact CB-CE1 4.12Å; F159-F166 AromaticContact CD2-CD1 3.8Å; F159-F166 HydrophobicContact CD2-CD1 3.8Å; F159-F166 AromaticContact CD2-CD2 3.64Å; F159-F166 HydrophobicContact CD2-CD2 3.64Å; F159-F166 AromaticContact CD2-CE1 3.77Å; F159-F166 HydrophobicContact CD2-CE1 3.77Å; F159-F166 AromaticContact CD2-CE2 3.59Å; F159-F166 HydrophobicContact CD2-CE2 3.59Å; F159-F166 AromaticContact CD2-CG 3.73Å; F159-F166 HydrophobicContact CD2-CG 3.73Å; F159-F166 AromaticContact CD2-CZ 3.65Å; F159-F166 HydrophobicContact CD2-CZ 3.65Å; F159-F166 AromaticContact CE2-CD2 3.85Å; F159-F166 HydrophobicContact CE2-CD2 3.85Å; F159-F166 AromaticContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CG 4.39Å; F159-F166 HydrophobicContact CE2-CZ 4.13Å; F159-F166 HydrophobicContact CG-CD1 4.48Å; F159-F166 HydrophobicContact CG-CE1 4.31Å; F159-F166 HydrophobicContact CG-CZ 4.42Å
160L92.9Very high92.2Very high45 Ų4563.3 Ų63.324%0.23631%0.305CS..EExtended strand (participates in β ladder)trans-86.3106.2174.2-83.981.7000109.1K162 E163 K164 Q165 L167L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.4Å; L160-E163 HydrophobicContact CB-CB 4.3Å; L160-E163 HydrophobicContact CD2-CG 4.5Å; L160-E163 WeakPolarHBondContact CD2-OE1 3.38Å; L160-K164 VanDerWaalsContact O-CA 3.29Å; L160-K164 WeakPolarHBondContact O-CA 3.48Å; L160-K164 PolarHBondContact O-N 3.08Å; L160-Q165 PolarHBondContact N-O 3.26Å; L160-Q165 PolarHBondContact O-N 2.93Å; L160-L167 HydrophobicContact CD1-CD1 3.38Å; L160-L167 HydrophobicContact CD1-CD2 4.36Å; L160-L167 HydrophobicContact CD1-CG 3.5Å; L160-L167 VanDerWaalsContact CD1-CG 3.5Å
161T89.8Confident92.4Very high99 Ų9960.5 Ų60.561%0.60728%0.284SS*.THydrogen-bonded Turntrans-62.6-36.6-179.5-480000112.8F159F159-T161 PolarHBondContact O-N 3.46Å
162K90.7Very high92.5Very high208 Ų20858.1 Ų58.190%0.90427%0.274SS*.THydrogen-bonded Turntrans-63-52.6179.8-66.5-177.6178.6178.20111.5L160L160-K162 VanDerWaalsContact C-N 3.32Å; L160-K162 PolarHBondContact O-N 3.4Å
163E89.4Confident92.7Very high116 Ų11658.3 Ų58.354%0.54227%0.273SS..THydrogen-bonded Turntrans-83.4-13.7-177.4-65.3166.7-158.200113.4L160 Q165L160-E163 HydrophobicContact CB-CB 4.3Å; L160-E163 HydrophobicContact CD2-CG 4.5Å; L160-E163 WeakPolarHBondContact CD2-OE1 3.38Å; E163-Q165 HydrophobicContact CB-CB 4.36Å; E163-Q165 HydrophobicContact CB-CG 3.99Å
164K90.8Very high92.8Very high146 Ų14651.1 Ų51.164%0.63524%0.242SC*.THydrogen-bonded Turntrans52.254.1-169.5-56.1170.8-174167.70110.6M138 F159 L160 R250M138-K164 WeakPolarHBondContact CE-O 3.38Å; F159-K164 HydrophobicContact CZ-CB 4.29Å; L160-K164 VanDerWaalsContact O-CA 3.29Å; L160-K164 WeakPolarHBondContact O-CA 3.48Å; L160-K164 PolarHBondContact O-N 3.08Å; K164-R250 PolarHBondContact O-NH2 2.61Å
165Q93.3Very high92.6Very high46 Ų4649.5 Ų49.522%0.21524%0.238CC..EExtended strand (participates in β ladder)trans-126.6143.5178.3-65.8-164.613.500111.8F159 L160 E163 S187 D188F159-Q165 CarbonylContact C-O 3.6Å; F159-Q165 WeakPolarHBondContact CA-O 3.48Å; F159-Q165 VanDerWaalsContact CD2-O 3.23Å; F159-Q165 WeakPolarHBondContact CD2-O 3.25Å; L160-Q165 PolarHBondContact N-O 3.26Å; L160-Q165 PolarHBondContact O-N 2.93Å; E163-Q165 HydrophobicContact CB-CB 4.36Å; E163-Q165 HydrophobicContact CB-CG 3.99Å; Q165-S187 PolarHBondContact OE1-OG 3.5Å; Q165-D188 WeakPolarHBondContact CA-OD1 3.5Å; Q165-D188 WeakPolarHBondContact CB-OD1 3.24Å
166F93.9Very high92.3Very high1 Ų150.9 Ų50.90%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-86.9134.6166.9-81.4-84.1000110.7L131 H134 A135 M138 F159 W168 D188L131-F166 HydrophobicContact CD2-CE1 3.98Å; H134-F166 HydrophobicContact CB-CE2 4.3Å; H134-F166 HydrophobicContact CB-CZ 3.83Å; A135-F166 HydrophobicContact CB-CE2 4.44Å; A135-F166 HydrophobicContact CB-CZ 3.95Å; M138-F166 HydrophobicContact CE-CD2 4.24Å; M138-F166 HydrophobicContact CE-CE2 4.36Å; M138-F166 HydrophobicContact SD-CD2 3.62Å; M138-F166 HydrophobicContact SD-CE2 3.69Å; F159-F166 HydrophobicContact CB-CD1 4.2Å; F159-F166 HydrophobicContact CB-CE1 4.12Å; F159-F166 AromaticContact CD2-CD1 3.8Å; F159-F166 HydrophobicContact CD2-CD1 3.8Å; F159-F166 AromaticContact CD2-CD2 3.64Å; F159-F166 HydrophobicContact CD2-CD2 3.64Å; F159-F166 AromaticContact CD2-CE1 3.77Å; F159-F166 HydrophobicContact CD2-CE1 3.77Å; F159-F166 AromaticContact CD2-CE2 3.59Å; F159-F166 HydrophobicContact CD2-CE2 3.59Å; F159-F166 AromaticContact CD2-CG 3.73Å; F159-F166 HydrophobicContact CD2-CG 3.73Å; F159-F166 AromaticContact CD2-CZ 3.65Å; F159-F166 HydrophobicContact CD2-CZ 3.65Å; F159-F166 AromaticContact CE2-CD2 3.85Å; F159-F166 HydrophobicContact CE2-CD2 3.85Å; F159-F166 AromaticContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CE2 3.71Å; F159-F166 HydrophobicContact CE2-CG 4.39Å; F159-F166 HydrophobicContact CE2-CZ 4.13Å; F159-F166 HydrophobicContact CG-CD1 4.48Å; F159-F166 HydrophobicContact CG-CE1 4.31Å; F159-F166 HydrophobicContact CG-CZ 4.42Å; F166-W168 HydrophobicContact CB-CD2 4.25Å; F166-W168 HydrophobicContact CB-CG 4.33Å; F166-W168 HydrophobicContact CB-CZ2 4Å; F166-W168 VanDerWaalsContact CB-NE1 3.25Å; F166-W168 HydrophobicContact CD1-CH2 4.28Å; F166-W168 AromaticContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD2-CZ2 4.08Å; F166-W168 AromaticContact CG-CE2 3.87Å; F166-W168 HydrophobicContact CG-CH2 4.48Å; F166-W168 AromaticContact CG-CZ2 3.75Å; F166-W168 HydrophobicContact CG-CZ2 3.75Å; F166-W168 AromaticContact CG-NE1 3.99Å; F166-D188 HydrophobicContact CB-CB 4.09Å; F166-D188 PolarHBondContact N-OD1 2.9Å; F166-D188 PolarHBondContact N-OD2 3.47Å; F166-D188 PolarHBondContact O-N 2.71Å
167L95.3Very high91.8Very high37 Ų3750 Ų5019%0.19424%0.237CC..EExtended strand (participates in β ladder)trans-99.497.7161-66.2-173.1000107.7T157 W158 L160 R185 V186T157-L167 WeakPolarHBondContact CA-O 3.38Å; W158-L167 HydrophobicContact CB-CB 4.3Å; W158-L167 PolarHBondContact N-O 2.8Å; W158-L167 PolarHBondContact O-N 3.12Å; L160-L167 HydrophobicContact CD1-CD1 3.38Å; L160-L167 HydrophobicContact CD1-CD2 4.36Å; L160-L167 HydrophobicContact CD1-CG 3.5Å; L160-L167 VanDerWaalsContact CD1-CG 3.5Å; L167-R185 HydrophobicContact CD1-CB 4.34Å; L167-V186 CarbonylContact C-O 3.59Å; L167-V186 WeakPolarHBondContact CA-O 3.43Å
168W95.1Very high91.4Very high0 Ų055.2 Ų55.20%027%0.274CS..EExtended strand (participates in β ladder)trans-74.9144.4-177.1-68.499.4000111.9I140 L142 T157 F166 L170 R185 V186 L249 L253 I258 P262I140-W168 HydrophobicContact CD1-CZ2 4.02Å; I140-W168 HydrophobicContact CG2-CH2 4.46Å; L142-W168 HydrophobicContact CD1-CH2 4.37Å; L142-W168 HydrophobicContact CD1-CZ3 4.15Å; L142-W168 HydrophobicContact CD2-CH2 4.38Å; L142-W168 HydrophobicContact CD2-CZ3 4.49Å; T157-W168 HydrophobicContact CG2-CE3 3.66Å; T157-W168 HydrophobicContact CG2-CZ3 4.16Å; F166-W168 HydrophobicContact CB-CD2 4.25Å; F166-W168 HydrophobicContact CB-CG 4.33Å; F166-W168 HydrophobicContact CB-CZ2 4Å; F166-W168 VanDerWaalsContact CB-NE1 3.25Å; F166-W168 HydrophobicContact CD1-CH2 4.28Å; F166-W168 AromaticContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD1-CZ2 3.98Å; F166-W168 HydrophobicContact CD2-CZ2 4.08Å; F166-W168 AromaticContact CG-CE2 3.87Å; F166-W168 HydrophobicContact CG-CH2 4.48Å; F166-W168 AromaticContact CG-CZ2 3.75Å; F166-W168 HydrophobicContact CG-CZ2 3.75Å; F166-W168 AromaticContact CG-NE1 3.99Å; W168-L170 HydrophobicContact CB-CD2 3.89Å; W168-L170 HydrophobicContact CB-CG 4.12Å; W168-R185 PolarHBondContact O-N 2.91Å; W168-R185 VanDerWaalsContact O-N 3.15Å; W168-V186 PolarHBondContact N-O 3.06Å; W168-V186 PolarHBondContact O-N 3.48Å; W168-L249 HydrophobicContact CB-CD2 4.36Å; W168-L249 HydrophobicContact CG-CD2 4.19Å; W168-L253 HydrophobicContact CD2-CD1 4.2Å; W168-L253 HydrophobicContact CZ2-CD1 4.06Å; W168-I258 HydrophobicContact CH2-CD1 4.11Å; W168-I258 HydrophobicContact CZ3-CD1 4.43Å; W168-P262 HydrophobicContact CD2-CG 4.21Å; W168-P262 VanDerWaalsContact CE3-CD 3.49Å; W168-P262 HydrophobicContact CE3-CG 3.91Å; W168-P262 HydrophobicContact CZ3-CG 4.38Å
169H95.8Very high91.2Very high4 Ų449.3 Ų49.32%0.01925%0.254CS..EExtended strand (participates in β ladder)trans-79.4132.8148.4-169.7101.3000106.3E154 S156 T157 Q183 Y261 P262E154-H169 PolarHBondContact O-CE1 2.88Å; E154-H169 PolarHBondContact O-ND1 3.38Å; S156-H169 PolarHBondContact N-ND1 2.84Å; S156-H169 PolarHBondContact OG-ND1 3.46Å; T157-H169 HydrophobicContact CG2-CB 4.01Å; H169-Q183 CarbonylContact C-O 3.54Å; H169-Q183 WeakPolarHBondContact CA-O 3.25Å; H169-Y261 HydrophobicContact CB-CG 4.38Å; H169-Y261 AromaticContact CD2-CD1 3.69Å; H169-Y261 AromaticContact CD2-CD2 3.87Å; H169-Y261 AromaticContact CD2-CE1 3.82Å; H169-Y261 AromaticContact CD2-CG 3.72Å; H169-Y261 AromaticContact CD2-CZ 3.99Å; H169-Y261 WeakPolarHBondContact O-CB 3.35Å; H169-P262 WeakPolarHBondContact O-CD 3.46Å
170L94.1Very high91.1Very high0 Ų053.7 Ų53.70%028%0.275CS..EExtended strand (participates in β ladder)trans-125.5136.8176.4-66.1-176.1000109.5W168 S182 Q183 V186 I195 L249 P262W168-L170 HydrophobicContact CB-CD2 3.89Å; W168-L170 HydrophobicContact CB-CG 4.12Å; L170-S182 CarbonylContact O-C 3.6Å; L170-S182 WeakPolarHBondContact O-CA 3.39Å; L170-Q183 HydrophobicContact CB-CB 4.49Å; L170-Q183 PolarHBondContact N-O 2.79Å; L170-Q183 PolarHBondContact O-N 3.26Å; L170-V186 HydrophobicContact CD1-CB 3.9Å; L170-V186 HydrophobicContact CD1-CG1 3.74Å; L170-V186 HydrophobicContact CD1-CG2 3.92Å; L170-V186 HydrophobicContact CG-CB 4.19Å; L170-V186 HydrophobicContact CG-CG2 4.11Å; L170-I195 HydrophobicContact CD1-CD1 4.23Å; L170-I195 HydrophobicContact CD1-CG2 4.27Å; L170-L249 HydrophobicContact CD1-CD2 3.95Å; L170-L249 HydrophobicContact CD2-CD1 4.43Å; L170-L249 HydrophobicContact CD2-CD2 4.23Å; L170-P262 HydrophobicContact CD2-CB 3.67Å; L170-P262 HydrophobicContact CD2-CG 3.63Å
171K95.1Very high91Very high38 Ų3853.2 Ų53.217%0.16527%0.271CS..EExtended strand (participates in β ladder)trans-108.1116.6167-175.3169.3-177.6170.70109.6I173 E180 F181 Y261 P262 V263 L264K171-I173 HydrophobicContact CG-CG1 4.26Å; K171-E180 WeakPolarHBondContact CE-OE2 3.49Å; K171-E180 IonicContact NZ-OE1 2.65Å; K171-E180 IonicContact NZ-OE2 2.68Å; K171-E180 PolarHBondContact NZ-OE2 3.08Å; K171-F181 CarbonylContact C-O 3.6Å; K171-F181 WeakPolarHBondContact CA-O 3.47Å; K171-Y261 HydrophobicContact CB-CD2 4.33Å; K171-Y261 HydrophobicContact CB-CE2 3.67Å; K171-Y261 HydrophobicContact CD-CE2 4.44Å; K171-P262 PolarHBondContact N-O 3.38Å; K171-P262 VanDerWaalsContact N-O 3.13Å; K171-V263 HydrophobicContact CB-CG1 4.39Å; K171-V263 HydrophobicContact CB-CG2 4.34Å; K171-V263 HydrophobicContact CG-CG1 4.48Å; K171-V263 CarbonylContact O-C 3.6Å; K171-V263 WeakPolarHBondContact O-CA 3.48Å; K171-L264 PolarHBondContact O-N 3.01Å
172L93.5Very high91.1Very high0 Ų051.6 Ų51.60%026%0.264CS..EExtended strand (participates in β ladder)trans-95124.7174.2-54.8-178.2000108.6F174 E180 F181 Y199 L264L172-F174 HydrophobicContact CB-CD2 4.45Å; L172-F174 HydrophobicContact CB-CE2 3.75Å; L172-F174 HydrophobicContact CB-CZ 4.44Å; L172-F174 HydrophobicContact CD1-CE2 4.42Å; L172-E180 WeakPolarHBondContact O-CA 3.41Å; L172-F181 PolarHBondContact N-O 3.39Å; L172-F181 PolarHBondContact O-N 3.25Å; L172-Y199 HydrophobicContact CD1-CD1 4.39Å; L172-Y199 HydrophobicContact CD1-CD2 3.56Å; L172-Y199 HydrophobicContact CD1-CE1 4.22Å; L172-Y199 HydrophobicContact CD1-CE2 3.33Å; L172-Y199 HydrophobicContact CD1-CG 4.11Å; L172-L264 WeakPolarHBondContact CA-O 3.27Å; L172-L264 HydrophobicContact CD2-CB 3.88Å; L172-L264 HydrophobicContact CD2-CD1 3.89Å; L172-L264 HydrophobicContact CD2-CG 4.19Å
173I93.3Very high91Very high27 Ų2743.9 Ų43.914%0.13823%0.231CC..EExtended strand (participates in β ladder)trans-114.4125.9176-59.6-178.6000107.4K171 P175 E180 V263 L264 H265 V266K171-I173 HydrophobicContact CG-CG1 4.26Å; I173-P175 HydrophobicContact CG2-CG 4.41Å; I173-P175 WeakPolarHBondContact O-CD 3.46Å; I173-E180 HydrophobicContact CG1-CG 4.26Å; I173-E180 HydrophobicContact CG2-CG 4.49Å; I173-V263 HydrophobicContact CD1-CG1 3.47Å; I173-V263 VanDerWaalsContact CD1-CG1 3.47Å; I173-V263 HydrophobicContact CG1-CG1 4.01Å; I173-L264 PolarHBondContact N-O 3.31Å; I173-H265 CarbonylContact O-C 3.59Å; I173-H265 WeakPolarHBondContact O-CA 3.42Å; I173-V266 PolarHBondContact O-N 2.91Å
174F91.2Very high91.2Very high0 Ų047.1 Ų47.10%024%0.238CC..EExtended strand (participates in β ladder)trans-111.491.9175.8-64.7-97.3000107.7L172 Q176 S177 S178 S179 F181 Y199 I200 L213 Y216 V266L172-F174 HydrophobicContact CB-CD2 4.45Å; L172-F174 HydrophobicContact CB-CE2 3.75Å; L172-F174 HydrophobicContact CB-CZ 4.44Å; L172-F174 HydrophobicContact CD1-CE2 4.42Å; F174-Q176 PolarHBondContact O-N 2.93Å; F174-S177 WeakPolarHBondContact CB-OG 3.39Å; F174-S177 PolarHBondContact O-N 2.73Å; F174-S177 PolarHBondContact O-OG 2.7Å; F174-S178 PolarHBondContact O-N 2.99Å; F174-S178 VanDerWaalsContact O-N 3.1Å; F174-S179 PolarHBondContact N-O 3Å; F174-S179 PolarHBondContact O-N 3.26Å; F174-S179 VanDerWaalsContact O-N 3.14Å; F174-F181 AromaticContact CD2-CD2 3.74Å; F174-F181 HydrophobicContact CD2-CD2 3.74Å; F174-F181 AromaticContact CD2-CE2 3.94Å; F174-F181 HydrophobicContact CD2-CE2 3.94Å; F174-F181 AromaticContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CE2 4.04Å; F174-Y199 HydrophobicContact CZ-CG 4.28Å; F174-I200 HydrophobicContact CE1-CD1 4.41Å; F174-I200 HydrophobicContact CE1-CG1 4.33Å; F174-L213 HydrophobicContact CB-CD2 3.8Å; F174-L213 HydrophobicContact CD1-CD1 4.04Å; F174-L213 HydrophobicContact CD1-CD2 3.73Å; F174-L213 HydrophobicContact CD2-CD1 4.24Å; F174-L213 HydrophobicContact CD2-CD2 3.98Å; F174-L213 HydrophobicContact CE1-CD1 3.7Å; F174-L213 HydrophobicContact CE1-CD2 4.27Å; F174-L213 HydrophobicContact CE2-CD1 3.91Å; F174-L213 HydrophobicContact CE2-CD2 4.49Å; F174-L213 HydrophobicContact CG-CD1 4.3Å; F174-L213 HydrophobicContact CG-CD2 3.57Å; F174-L213 HydrophobicContact CZ-CD1 3.63Å; F174-Y216 WeakPolarHBondContact CA-OH 3.09Å; F174-Y216 HydrophobicContact CB-CE2 3.83Å; F174-Y216 HydrophobicContact CD1-CD1 4.09Å; F174-Y216 HydrophobicContact CD1-CD2 4.05Å; F174-Y216 AromaticContact CD1-CE1 3.89Å; F174-Y216 HydrophobicContact CD1-CE1 3.89Å; F174-Y216 AromaticContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CG 4.15Å; F174-Y216 AromaticContact CD1-CZ 3.77Å; F174-Y216 HydrophobicContact CG-CE2 4.34Å; F174-V266 HydrophobicContact CD1-CB 3.74Å; F174-V266 HydrophobicContact CD1-CG1 3.99Å; F174-V266 HydrophobicContact CD1-CG2 4.3Å; F174-V266 HydrophobicContact CE1-CB 3.72Å; F174-V266 HydrophobicContact CE1-CG1 3.73Å; F174-V266 HydrophobicContact CE1-CG2 3.9Å; F174-V266 HydrophobicContact CG-CB 4.41Å; F174-V266 HydrophobicContact CZ-CB 4.37Å; F174-V266 HydrophobicContact CZ-CG2 4.07Å
175P88.1Confident91.2Very high43 Ų4349.7 Ų49.728%0.27924%0.244SC..G310 helixtrans-61.2-34.1-171.1-23.134.5000113I173 S178 Y216 V266 V267 Y275I173-P175 HydrophobicContact CG2-CG 4.41Å; I173-P175 WeakPolarHBondContact O-CD 3.46Å; P175-S178 PolarHBondContact O-N 3.21Å; P175-Y216 WeakPolarHBondContact CD-OH 3.31Å; P175-V266 VanDerWaalsContact CD-O 3.24Å; P175-V266 WeakPolarHBondContact CD-O 3.47Å; P175-V267 HydrophobicContact CG-CG2 4.27Å; P175-Y275 VanDerWaalsContact CG-OH 3.26Å; P175-Y275 WeakPolarHBondContact CG-OH 3.23Å
176Q84.3Confident91.1Very high54 Ų5447.6 Ų47.625%0.25224%0.235SC..G310 helixtrans-74.8-28.3-173.6-57.7-55.4-39.800113.4F174 Y216 L268 H271F174-Q176 PolarHBondContact O-N 2.93Å; Q176-Y216 HydrophobicContact CB-CE2 3.91Å; Q176-Y216 WeakPolarHBondContact CB-OH 3.47Å; Q176-Y216 PolarHBondContact N-OH 3.22Å; Q176-L268 HydrophobicContact CB-CD1 4.41Å; Q176-L268 HydrophobicContact CG-CD1 4.28Å; Q176-L268 HydrophobicContact CG-CG 4.49Å; Q176-H271 VanDerWaalsContact CD-CE1 3.41Å; Q176-H271 VanDerWaalsContact CD-ND1 3.33Å; Q176-H271 PolarHBondContact NE2-CD2 2.88Å; Q176-H271 VanDerWaalsContact NE2-CD2 3.28Å; Q176-H271 PolarHBondContact NE2-CE1 3.47Å; Q176-H271 PolarHBondContact NE2-ND1 3.22Å; Q176-H271 PolarHBondContact OE1-CE1 2.87Å; Q176-H271 PolarHBondContact OE1-ND1 2.86Å; Q176-H271 PolarHBondContact OE1-NE2 3.43Å
177S82.9Confident91.1Very high20 Ų2048.4 Ų48.414%0.1424%0.24CC..G310 helixtrans-98.95.9171.654.50000112.5F174 S179 K212 L213F174-S177 WeakPolarHBondContact CB-OG 3.39Å; F174-S177 PolarHBondContact O-N 2.73Å; F174-S177 PolarHBondContact O-OG 2.7Å; S177-S179 PolarHBondContact O-N 2.92Å; S177-S179 PolarHBondContact O-OG 3.07Å; S177-K212 VanDerWaalsContact CB-O 3.24Å; S177-K212 WeakPolarHBondContact CB-O 3.34Å; S177-L213 WeakPolarHBondContact OG-CD2 3.45Å
178S84.9Confident90.9Very high115 Ų11546.6 Ų46.680%0.80423%0.231SC*.THydrogen-bonded Turntrans46.630.2-172.458.60000114.2F174 P175F174-S178 PolarHBondContact O-N 2.99Å; F174-S178 VanDerWaalsContact O-N 3.1Å; P175-S178 PolarHBondContact O-N 3.21Å
179S87.9Confident90.8Very high18 Ų1849.7 Ų49.713%0.12625%0.253CS..EExtended strand (participates in β ladder)trans-108.5137.5-170.3-65.60000111.2F174 S177F174-S179 PolarHBondContact N-O 3Å; F174-S179 PolarHBondContact O-N 3.26Å; F174-S179 VanDerWaalsContact O-N 3.14Å; S177-S179 PolarHBondContact O-N 2.92Å; S177-S179 PolarHBondContact O-OG 3.07Å
180E92.1Very high90.6Very high111 Ų11153 Ų5352%0.51927%0.268SS..EExtended strand (participates in β ladder)trans-123.2137.2177.5-56.2-169.315400109.9K171 L172 I173K171-E180 WeakPolarHBondContact CE-OE2 3.49Å; K171-E180 IonicContact NZ-OE1 2.65Å; K171-E180 IonicContact NZ-OE2 2.68Å; K171-E180 PolarHBondContact NZ-OE2 3.08Å; L172-E180 WeakPolarHBondContact O-CA 3.41Å; I173-E180 HydrophobicContact CG1-CG 4.26Å; I173-E180 HydrophobicContact CG2-CG 4.49Å
181F90.1Very high90.6Very high34 Ų3454.3 Ų54.315%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-131.9136.8177.7-60.1-93.4000109.7K171 L172 F174 Y199 T209 K212 L213K171-F181 CarbonylContact C-O 3.6Å; K171-F181 WeakPolarHBondContact CA-O 3.47Å; L172-F181 PolarHBondContact N-O 3.39Å; L172-F181 PolarHBondContact O-N 3.25Å; F174-F181 AromaticContact CD2-CD2 3.74Å; F174-F181 HydrophobicContact CD2-CD2 3.74Å; F174-F181 AromaticContact CD2-CE2 3.94Å; F174-F181 HydrophobicContact CD2-CE2 3.94Å; F174-F181 AromaticContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CD2 3.64Å; F174-F181 HydrophobicContact CE2-CE2 4.04Å; F181-Y199 HydrophobicContact CB-CE1 3.78Å; F181-Y199 HydrophobicContact CD1-CD1 4.42Å; F181-Y199 AromaticContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD2-CD1 4.34Å; F181-Y199 HydrophobicContact CD2-CE1 4.39Å; F181-Y199 HydrophobicContact CG-CD1 4.19Å; F181-Y199 AromaticContact CG-CE1 3.81Å; F181-Y199 HydrophobicContact CG-CE1 3.81Å; F181-T209 HydrophobicContact CE1-CG2 3.89Å; F181-T209 HydrophobicContact CZ-CG2 3.82Å; F181-K212 HydrophobicContact CZ-CD 4.37Å; F181-L213 HydrophobicContact CE2-CD1 4Å; F181-L213 HydrophobicContact CE2-CD2 4.06Å; F181-L213 HydrophobicContact CE2-CG 4.15Å; F181-L213 HydrophobicContact CZ-CD1 4.4Å; F181-L213 HydrophobicContact CZ-CG 4.39Å
182S91.3Very high90.3Very high66 Ų6652.6 Ų52.646%0.46227%0.268SS..EExtended strand (participates in β ladder)trans-112.3113.4175.8-63.90000110.1L170L170-S182 CarbonylContact O-C 3.6Å; L170-S182 WeakPolarHBondContact O-CA 3.39Å
183Q89.8Confident90.1Very high45 Ų4555.7 Ų55.721%0.2128%0.284CS..EExtended strand (participates in β ladder)trans-99133.9179.3-158.3179.510.900109.9H169 L170 V186H169-Q183 CarbonylContact C-O 3.54Å; H169-Q183 WeakPolarHBondContact CA-O 3.25Å; L170-Q183 HydrophobicContact CB-CB 4.49Å; L170-Q183 PolarHBondContact N-O 2.79Å; L170-Q183 PolarHBondContact O-N 3.26Å; Q183-V186 HydrophobicContact CB-CG2 3.88Å; Q183-V186 HydrophobicContact CG-CG2 3.53Å
184R92.3Very high89.9Confident184 Ų18459.7 Ų59.769%0.69430%0.303SS*.EExtended strand (participates in β ladder)trans-105.7148.8179.2-58.7-176.9179.8172.9-0.9109.9S156S156-R184 WeakPolarHBondContact OG-CG 3.34Å
185R90.9Very high89.8Confident200 Ų20059.9 Ų59.976%0.75530%0.304SS*.EExtended strand (participates in β ladder)trans61.238.5172.5-56.1-177.2179.9-1780.4115.5L167 W168L167-R185 HydrophobicContact CD1-CB 4.34Å; W168-R185 PolarHBondContact O-N 2.91Å; W168-R185 VanDerWaalsContact O-N 3.15Å
186V92.4Very high89.8Confident3 Ų358.1 Ų58.12%0.01829%0.292CS..EExtended strand (participates in β ladder)trans-79.8122.2178.8-172.50000110.6L167 W168 L170 Q183 I195 L249L167-V186 CarbonylContact C-O 3.59Å; L167-V186 WeakPolarHBondContact CA-O 3.43Å; W168-V186 PolarHBondContact N-O 3.06Å; W168-V186 PolarHBondContact O-N 3.48Å; L170-V186 HydrophobicContact CD1-CB 3.9Å; L170-V186 HydrophobicContact CD1-CG1 3.74Å; L170-V186 HydrophobicContact CD1-CG2 3.92Å; L170-V186 HydrophobicContact CG-CB 4.19Å; L170-V186 HydrophobicContact CG-CG2 4.11Å; Q183-V186 HydrophobicContact CB-CG2 3.88Å; Q183-V186 HydrophobicContact CG-CG2 3.53Å; V186-I195 HydrophobicContact CG1-CD1 3.63Å; V186-I195 HydrophobicContact CG1-CG1 3.8Å; V186-L249 HydrophobicContact CG1-CD2 4.23Å
187S93.1Very high89.8Confident17 Ų1756.9 Ų56.912%0.11929%0.288CS..EExtended strand (participates in β ladder)trans-68.5137.9179.5170.80000111.4Q165 S189 Q190Q165-S187 PolarHBondContact OE1-OG 3.5Å; S187-S189 PolarHBondContact O-N 2.72Å; S187-S189 PolarHBondContact OG-N 2.96Å; S187-S189 PolarHBondContact OG-OG 3.4Å; S187-Q190 PolarHBondContact O-N 3.43Å
188D91.9Very high89.8Confident0 Ų058.1 Ų58.10%030%0.3CS..THydrogen-bonded Turntrans-69.1-12.1175.273.8-19.4000114.4Q165 F166 R250Q165-D188 WeakPolarHBondContact CA-OD1 3.5Å; Q165-D188 WeakPolarHBondContact CB-OD1 3.24Å; F166-D188 HydrophobicContact CB-CB 4.09Å; F166-D188 PolarHBondContact N-OD1 2.9Å; F166-D188 PolarHBondContact N-OD2 3.47Å; F166-D188 PolarHBondContact O-N 2.71Å; D188-R250 HydrophobicContact CB-CB 4.07Å; D188-R250 VanDerWaalsContact O-CB 3.29Å; D188-R250 WeakPolarHBondContact O-CB 3.28Å; D188-R250 PolarHBondContact O-N 2.92Å; D188-R250 IonicContact OD1-CZ 2.87Å; D188-R250 IonicContact OD1-NE 3.86Å; D188-R250 IonicContact OD1-NH2 3.71Å; D188-R250 PolarHBondContact OD1-NH2 3.23Å; D188-R250 IonicContact OD2-CZ 2.88Å; D188-R250 VanDerWaalsContact OD2-CZ 3.29Å; D188-R250 IonicContact OD2-NE 3.68Å; D188-R250 PolarHBondContact OD2-NE 3.45Å; D188-R250 IonicContact OD2-NH2 2.84Å; D188-R250 PolarHBondContact OD2-NH2 2.76Å
189S91.3Very high89.7Confident65 Ų6553.9 Ų53.946%0.45527%0.266SS..THydrogen-bonded Turntrans-77.9-22.1172.769.10000113.9S187S187-S189 PolarHBondContact O-N 2.72Å; S187-S189 PolarHBondContact OG-N 2.96Å; S187-S189 PolarHBondContact OG-OG 3.4Å
190Q92.2Very high89.2Confident73 Ų7353.2 Ų53.234%0.34126%0.261SS..SBendtrans-68.4144.2179.5-70.3176.4-30.500111S187 I195 L249S187-Q190 PolarHBondContact O-N 3.43Å; Q190-I195 HydrophobicContact CB-CD1 4.19Å; Q190-I195 HydrophobicContact CB-CG1 4.12Å; Q190-L249 PolarHBondContact O-N 3.36Å
191T93.3Very high88.3Confident28 Ų2850.5 Ų50.517%0.17225%0.248CC..BIsolated β-bridgetrans-79.1154.6173.359.60000111I193 Q194 I195 E246 K247T191-I193 PolarHBondContact O-N 3.39Å; T191-Q194 VanDerWaalsContact N-OE1 3.1Å; T191-Q194 PolarHBondContact O-N 2.99Å; T191-Q194 VanDerWaalsContact O-N 3.17Å; T191-Q194 VanDerWaalsContact OG1-CG 3.3Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.03Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 3.48Å; T191-I195 VanDerWaalsContact O-N 3.17Å; T191-E246 VanDerWaalsContact CG2-O 3.28Å; T191-E246 WeakPolarHBondContact CG2-O 3.46Å; T191-K247 WeakPolarHBondContact CA-O 3.39Å
192L89.7Confident87.2Confident1 Ų151.2 Ų51.21%0.00526%0.256CS..Hα-helixtrans-61.9-30.9177-74.9-179000111.9I195 L196 V226 L243 V245 K247 L249 N252 L264L192-I195 HydrophobicContact CD2-CD1 4.27Å; L192-I195 PolarHBondContact O-N 2.89Å; L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.21Å; L192-V226 HydrophobicContact CD1-CG1 4.4Å; L192-L243 HydrophobicContact CD1-CB 3.53Å; L192-L243 HydrophobicContact CD1-CD1 3.88Å; L192-L243 HydrophobicContact CD1-CG 4.38Å; L192-V245 HydrophobicContact CB-CG1 4.5Å; L192-V245 PolarHBondContact N-O 3Å; L192-K247 PolarHBondContact N-O 3.13Å; L192-L249 HydrophobicContact CD2-CD1 3.96Å; L192-N252 HydrophobicContact CD1-CB 4.36Å; L192-L264 HydrophobicContact CD2-CD1 3.81Å
193I89.6Confident86Confident65 Ų6553.9 Ų53.933%0.33327%0.27SS..Hα-helixtrans-60.8-48.3173.2-139.9166.1000111.3T191 I195 L196 T197 F221 V245T191-I193 PolarHBondContact O-N 3.39Å; I193-I195 VanDerWaalsContact C-N 3.32Å; I193-I195 PolarHBondContact O-N 3.43Å; I193-L196 CarbonylContact O-C 3.55Å; I193-L196 PolarHBondContact O-N 3.02Å; I193-L196 VanDerWaalsContact O-N 3.1Å; I193-T197 PolarHBondContact O-N 2.85Å; I193-T197 PolarHBondContact O-OG1 2.95Å; I193-F221 HydrophobicContact CG1-CD1 4.21Å; I193-F221 HydrophobicContact CG1-CE1 4.45Å; I193-V245 HydrophobicContact CB-CG1 3.78Å; I193-V245 HydrophobicContact CD1-CG1 4.24Å; I193-V245 HydrophobicContact CG1-CG1 3.77Å; I193-V245 PolarHBondContact N-O 3.43Å
194Q89.5Confident85.1Confident112 Ų11257.9 Ų57.952%0.52329%0.288SS..Hα-helixtrans-59.7-41.9179.1-72166-9.600112T191 L196 T197T191-Q194 VanDerWaalsContact N-OE1 3.1Å; T191-Q194 PolarHBondContact O-N 2.99Å; T191-Q194 VanDerWaalsContact O-N 3.17Å; T191-Q194 VanDerWaalsContact OG1-CG 3.3Å; T191-Q194 WeakPolarHBondContact OG1-CG 3.03Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; Q194-T197 PolarHBondContact O-N 3.21Å
195I88.9Confident84.3Confident4 Ų449.5 Ų49.52%0.02126%0.258CS..Hα-helixtrans-64.1-41.4177.3-65.6163.5000110.5L170 V186 Q190 T191 L192 I193 Y199 L249L170-I195 HydrophobicContact CD1-CD1 4.23Å; L170-I195 HydrophobicContact CD1-CG2 4.27Å; V186-I195 HydrophobicContact CG1-CD1 3.63Å; V186-I195 HydrophobicContact CG1-CG1 3.8Å; Q190-I195 HydrophobicContact CB-CD1 4.19Å; Q190-I195 HydrophobicContact CB-CG1 4.12Å; T191-I195 WeakPolarHBondContact O-CG1 3.38Å; T191-I195 PolarHBondContact O-N 3.48Å; T191-I195 VanDerWaalsContact O-N 3.17Å; L192-I195 HydrophobicContact CD2-CD1 4.27Å; L192-I195 PolarHBondContact O-N 2.89Å; I193-I195 VanDerWaalsContact C-N 3.32Å; I193-I195 PolarHBondContact O-N 3.43Å; I195-Y199 VanDerWaalsContact O-CD2 3.32Å; I195-Y199 WeakPolarHBondContact O-CD2 3.43Å; I195-L249 HydrophobicContact CD1-CB 4.25Å; I195-L249 HydrophobicContact CD1-CD2 4.13Å
196L86.6Confident83.7Confident5 Ų543.6 Ų43.63%0.02624%0.242CC..Hα-helixtrans-78.3-25.3-179.8-68.8177.6000114.1L192 I193 Q194 A198 Y199 I200 F221 V226 V266L192-L196 WeakPolarHBondContact O-CB 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.31Å; L192-L196 PolarHBondContact O-N 3.21Å; I193-L196 CarbonylContact O-C 3.55Å; I193-L196 PolarHBondContact O-N 3.02Å; I193-L196 VanDerWaalsContact O-N 3.1Å; Q194-L196 VanDerWaalsContact C-N 3.35Å; L196-A198 PolarHBondContact O-N 3.06Å; L196-Y199 PolarHBondContact O-N 2.98Å; L196-I200 HydrophobicContact CB-CD1 4.08Å; L196-I200 HydrophobicContact CD1-CD1 4.39Å; L196-I200 HydrophobicContact CD2-CD1 4.3Å; L196-I200 PolarHBondContact O-N 3.35Å; L196-F221 HydrophobicContact CB-CE1 4.08Å; L196-V226 HydrophobicContact CD1-CG2 3.66Å; L196-V266 HydrophobicContact CD2-CG1 4.43Å; L196-V266 HydrophobicContact CD2-CG2 3.71Å
197T86.2Confident82.8Confident29 Ų2948.4 Ų48.418%0.17827%0.273CS..Hα-helixtrans-53.6-42.8175.5-62.10000110.9I193 Q194 Y199 I200 H201 E204I193-T197 PolarHBondContact O-N 2.85Å; I193-T197 PolarHBondContact O-OG1 2.95Å; Q194-T197 PolarHBondContact O-N 3.21Å; T197-Y199 PolarHBondContact O-N 3.21Å; T197-I200 PolarHBondContact O-N 3.08Å; T197-H201 HydrophobicContact CG2-CB 3.54Å; T197-H201 WeakPolarHBondContact O-CB 3.36Å; T197-H201 PolarHBondContact O-N 3.36Å; T197-E204 HydrophobicContact CG2-CB 4.5Å; T197-E204 WeakPolarHBondContact CG2-OE2 3.27Å
198A82.7Confident82.2Confident46 Ų4651.7 Ų51.738%0.3829%0.292SS..Hα-helixtrans-60-13.4176.400000115.2L196 S205L196-A198 PolarHBondContact O-N 3.06Å; A198-S205 WeakPolarHBondContact O-CA 2.98Å
199Y81.1Confident81.7Confident26 Ų2652.5 Ų52.510%0.10230%0.297CS..Hα-helixtrans-117.6-34.2-178.4-64.1-87.5000113.6L172 F174 F181 I195 L196 T197 T209 L213L172-Y199 HydrophobicContact CD1-CD1 4.39Å; L172-Y199 HydrophobicContact CD1-CD2 3.56Å; L172-Y199 HydrophobicContact CD1-CE1 4.22Å; L172-Y199 HydrophobicContact CD1-CE2 3.33Å; L172-Y199 HydrophobicContact CD1-CG 4.11Å; F174-Y199 HydrophobicContact CZ-CG 4.28Å; F181-Y199 HydrophobicContact CB-CE1 3.78Å; F181-Y199 HydrophobicContact CD1-CD1 4.42Å; F181-Y199 AromaticContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD1-CE1 3.99Å; F181-Y199 HydrophobicContact CD2-CD1 4.34Å; F181-Y199 HydrophobicContact CD2-CE1 4.39Å; F181-Y199 HydrophobicContact CG-CD1 4.19Å; F181-Y199 AromaticContact CG-CE1 3.81Å; F181-Y199 HydrophobicContact CG-CE1 3.81Å; I195-Y199 VanDerWaalsContact O-CD2 3.32Å; I195-Y199 WeakPolarHBondContact O-CD2 3.43Å; L196-Y199 PolarHBondContact O-N 2.98Å; T197-Y199 PolarHBondContact O-N 3.21Å; Y199-T209 HydrophobicContact CD1-CG2 3.74Å; Y199-L213 HydrophobicContact CD1-CD1 4.49Å
200I78.2Confident81.1Confident4 Ų454.8 Ų54.82%0.02130%0.296CS..Hα-helixtrans-105.8-25-171.1-54.4-179.3000111.9F174 L196 T197 F221 V224 V266F174-I200 HydrophobicContact CE1-CD1 4.41Å; F174-I200 HydrophobicContact CE1-CG1 4.33Å; L196-I200 HydrophobicContact CB-CD1 4.08Å; L196-I200 HydrophobicContact CD1-CD1 4.39Å; L196-I200 HydrophobicContact CD2-CD1 4.3Å; L196-I200 PolarHBondContact O-N 3.35Å; T197-I200 PolarHBondContact O-N 3.08Å; I200-F221 HydrophobicContact CB-CE1 3.92Å; I200-F221 HydrophobicContact CB-CZ 3.96Å; I200-F221 HydrophobicContact CD1-CE1 4.16Å; I200-F221 HydrophobicContact CG2-CE1 4.1Å; I200-F221 HydrophobicContact CG2-CZ 4.09Å; I200-V224 HydrophobicContact CD1-CG1 4.33Å; I200-V266 HydrophobicContact CD1-CG1 4.07Å
201H74Confident80.5Confident53 Ų5357 Ų5725%0.24531%0.306CS..  trans-72.6125.2-172.1-169.6-116.3000112.1T197 T203 E204 S205T197-H201 HydrophobicContact CG2-CB 3.54Å; T197-H201 WeakPolarHBondContact O-CB 3.36Å; T197-H201 PolarHBondContact O-N 3.36Å; H201-T203 PolarHBondContact O-N 3.39Å; H201-E204 HydrophobicContact CB-CB 4.23Å; H201-E204 IonicContact CE1-OE1 3.29Å; H201-E204 PolarHBondContact CE1-OE1 2.68Å; H201-E204 VanDerWaalsContact CE1-OE1 3.29Å; H201-E204 WeakPolarHBondContact ND1-CG 3.43Å; H201-E204 PolarHBondContact ND1-N 3.05Å; H201-E204 IonicContact ND1-OE1 3.29Å; H201-E204 PolarHBondContact ND1-OE1 2.86Å; H201-E204 PolarHBondContact O-N 3.39Å; H201-S205 WeakPolarHBondContact O-CB 3.37Å; H201-S205 PolarHBondContact O-N 3.17Å; H201-S205 VanDerWaalsContact O-N 3.07Å; H201-S205 PolarHBondContact O-OG 3.03Å
202P67.2Low79.9Confident50 Ų5061.3 Ų61.333%0.32532%0.322SS..THydrogen-bonded Turntrans-60-21.2-170.522.1-35.2000115.2R210 V217P202-R210 PolarHBondContact O-NE 3.01Å; P202-R210 PolarHBondContact O-NH1 3.37Å; P202-R210 PolarHBondContact O-NH2 2.87Å; P202-V217 HydrophobicContact CB-CG1 3.85Å
203T65.6Low79.5Confident121 Ų12161.3 Ų61.374%0.74232%0.322SS*.THydrogen-bonded Turntrans-109.9-24.1-176.4-46.30000113.3H201H201-T203 PolarHBondContact O-N 3.39Å
204E70.2Confident79Confident129 Ų12962.9 Ų62.960%0.60333%0.327SS*.THydrogen-bonded Turntrans-105.9-17.7-173.3-69.6168.4-14000113.5T197 H201T197-E204 HydrophobicContact CG2-CB 4.5Å; T197-E204 WeakPolarHBondContact CG2-OE2 3.27Å; H201-E204 HydrophobicContact CB-CB 4.23Å; H201-E204 IonicContact CE1-OE1 3.29Å; H201-E204 PolarHBondContact CE1-OE1 2.68Å; H201-E204 VanDerWaalsContact CE1-OE1 3.29Å; H201-E204 WeakPolarHBondContact ND1-CG 3.43Å; H201-E204 PolarHBondContact ND1-N 3.05Å; H201-E204 IonicContact ND1-OE1 3.29Å; H201-E204 PolarHBondContact ND1-OE1 2.86Å; H201-E204 PolarHBondContact O-N 3.39Å
205S75Confident78.4Confident9 Ų962.6 Ų62.66%0.06333%0.327CS..SBendtrans-72.6138.7174.867.70000111.8A198 H201 R210A198-S205 WeakPolarHBondContact O-CA 2.98Å; H201-S205 WeakPolarHBondContact O-CB 3.37Å; H201-S205 PolarHBondContact O-N 3.17Å; H201-S205 VanDerWaalsContact O-N 3.07Å; H201-S205 PolarHBondContact O-OG 3.03Å; S205-R210 WeakPolarHBondContact OG-CB 3.15Å
206D78.6Confident77.8Confident76 Ų7662.4 Ų62.441%0.40633%0.326SS..  trans-47.3133.6170.2153.762.1000111.8V208 T209 R210D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.17Å; D206-V208 PolarHBondContact OD1-N 3.38Å; D206-V208 WeakPolarHBondContact OD2-CB 3.27Å; D206-V208 PolarHBondContact OD2-N 3.18Å; D206-T209 CarbonylContact O-C 3.5Å; D206-T209 WeakPolarHBondContact O-CB 3.42Å; D206-T209 PolarHBondContact O-N 2.56Å; D206-T209 VanDerWaalsContact O-N 3.13Å; D206-T209 VanDerWaalsContact OD2-CB 3.23Å; D206-T209 WeakPolarHBondContact OD2-CB 3.34Å; D206-T209 PolarHBondContact OD2-N 3.03Å; D206-T209 PolarHBondContact OD2-OG1 3.45Å; D206-R210 WeakPolarHBondContact O-CB 3.49Å; D206-R210 PolarHBondContact O-N 2.83Å
207P75.1Confident77.4Confident103 Ų10363.3 Ų63.367%0.66933%0.331SS*.Hα-helixtrans-55.2-35.7-176.8-28.935.8000115.2Q211P207-Q211 WeakPolarHBondContact O-CB 3.37Å; P207-Q211 PolarHBondContact O-N 3.33Å
208V79.8Confident76.5Confident87 Ų8769.3 Ų69.353%0.52736%0.357SS..Hα-helixtrans-71.9-42.1179.6-176.90000110.5D206 Q211 K212D206-V208 VanDerWaalsContact C-N 3.28Å; D206-V208 PolarHBondContact O-N 3.17Å; D206-V208 PolarHBondContact OD1-N 3.38Å; D206-V208 WeakPolarHBondContact OD2-CB 3.27Å; D206-V208 PolarHBondContact OD2-N 3.18Å; V208-Q211 PolarHBondContact O-N 3.36Å; V208-K212 WeakPolarHBondContact O-CG 3.49Å; V208-K212 PolarHBondContact O-N 3.46Å; V208-K212 VanDerWaalsContact O-N 3.15Å
209T80.3Confident75.8Confident16 Ų1670.2 Ų70.210%0.09835%0.353CS..Hα-helixtrans-62.6-46.1173.7-61.30000110.8F181 Y199 D206 Q211 K212 L213F181-T209 HydrophobicContact CE1-CG2 3.89Å; F181-T209 HydrophobicContact CZ-CG2 3.82Å; Y199-T209 HydrophobicContact CD1-CG2 3.74Å; D206-T209 CarbonylContact O-C 3.5Å; D206-T209 WeakPolarHBondContact O-CB 3.42Å; D206-T209 PolarHBondContact O-N 2.56Å; D206-T209 VanDerWaalsContact O-N 3.13Å; D206-T209 VanDerWaalsContact OD2-CB 3.23Å; D206-T209 WeakPolarHBondContact OD2-CB 3.34Å; D206-T209 PolarHBondContact OD2-N 3.03Å; D206-T209 PolarHBondContact OD2-OG1 3.45Å; T209-Q211 VanDerWaalsContact C-N 3.33Å; T209-Q211 PolarHBondContact O-N 2.96Å; T209-K212 PolarHBondContact O-N 3.41Å; T209-K212 VanDerWaalsContact O-N 3.17Å; T209-L213 HydrophobicContact CG2-CD1 3.89Å; T209-L213 HydrophobicContact CG2-CG 4.39Å; T209-L213 WeakPolarHBondContact O-CB 3.43Å; T209-L213 WeakPolarHBondContact O-CG 3.07Å; T209-L213 PolarHBondContact O-N 2.89Å
210R79Confident75.1Confident114 Ų11475.6 Ų75.643%0.4338%0.379SS..Hα-helixtrans-58.1-41.9175.1-165.2-176.4169.4-171.3-0.3112.3P202 S205 D206 L213 K214 V217P202-R210 PolarHBondContact O-NE 3.01Å; P202-R210 PolarHBondContact O-NH1 3.37Å; P202-R210 PolarHBondContact O-NH2 2.87Å; S205-R210 WeakPolarHBondContact OG-CB 3.15Å; D206-R210 WeakPolarHBondContact O-CB 3.49Å; D206-R210 PolarHBondContact O-N 2.83Å; R210-L213 CarbonylContact O-C 3.43Å; R210-L213 PolarHBondContact O-N 3.31Å; R210-K214 PolarHBondContact O-N 3.06Å; R210-V217 HydrophobicContact CG-CG1 4.39Å; R210-V217 HydrophobicContact CG-CG2 3.94Å
211Q80.8Confident74.6Confident118 Ų11878 Ų7855%0.55139%0.39SS*.Hα-helixtrans-62.3-44176.3179.474.61.600111.6P207 V208 T209 K214P207-Q211 WeakPolarHBondContact O-CB 3.37Å; P207-Q211 PolarHBondContact O-N 3.33Å; V208-Q211 PolarHBondContact O-N 3.36Å; T209-Q211 VanDerWaalsContact C-N 3.33Å; T209-Q211 PolarHBondContact O-N 2.96Å; Q211-K214 VanDerWaalsContact CD-NZ 3.34Å; Q211-K214 WeakPolarHBondContact O-CG 3.5Å
212K79.7Confident74.3Confident120 Ų12083 Ų8352%0.52241%0.413SS..Hα-helixtrans-68.9-37.4176.8-69.4174.8-179.2176.50112.4S177 F181 V208 T209S177-K212 VanDerWaalsContact CB-O 3.24Å; S177-K212 WeakPolarHBondContact CB-O 3.34Å; F181-K212 HydrophobicContact CZ-CD 4.37Å; V208-K212 WeakPolarHBondContact O-CG 3.49Å; V208-K212 PolarHBondContact O-N 3.46Å; V208-K212 VanDerWaalsContact O-N 3.15Å; T209-K212 PolarHBondContact O-N 3.41Å; T209-K212 VanDerWaalsContact O-N 3.17Å
213L81.8Confident74.8Confident0 Ų083.3 Ų83.30%041%0.41CS..THydrogen-bonded Turntrans-94.917.6-176.9-60.6-173.1000113.7F174 S177 F181 Y199 T209 R210 M215 Y216 V217F174-L213 HydrophobicContact CB-CD2 3.8Å; F174-L213 HydrophobicContact CD1-CD1 4.04Å; F174-L213 HydrophobicContact CD1-CD2 3.73Å; F174-L213 HydrophobicContact CD2-CD1 4.24Å; F174-L213 HydrophobicContact CD2-CD2 3.98Å; F174-L213 HydrophobicContact CE1-CD1 3.7Å; F174-L213 HydrophobicContact CE1-CD2 4.27Å; F174-L213 HydrophobicContact CE2-CD1 3.91Å; F174-L213 HydrophobicContact CE2-CD2 4.49Å; F174-L213 HydrophobicContact CG-CD1 4.3Å; F174-L213 HydrophobicContact CG-CD2 3.57Å; F174-L213 HydrophobicContact CZ-CD1 3.63Å; S177-L213 WeakPolarHBondContact OG-CD2 3.45Å; F181-L213 HydrophobicContact CE2-CD1 4Å; F181-L213 HydrophobicContact CE2-CD2 4.06Å; F181-L213 HydrophobicContact CE2-CG 4.15Å; F181-L213 HydrophobicContact CZ-CD1 4.4Å; F181-L213 HydrophobicContact CZ-CG 4.39Å; Y199-L213 HydrophobicContact CD1-CD1 4.49Å; T209-L213 HydrophobicContact CG2-CD1 3.89Å; T209-L213 HydrophobicContact CG2-CG 4.39Å; T209-L213 WeakPolarHBondContact O-CB 3.43Å; T209-L213 WeakPolarHBondContact O-CG 3.07Å; T209-L213 PolarHBondContact O-N 2.89Å; R210-L213 CarbonylContact O-C 3.43Å; R210-L213 PolarHBondContact O-N 3.31Å; L213-M215 VanDerWaalsContact C-N 3.27Å; L213-M215 PolarHBondContact O-N 3.13Å; L213-Y216 HydrophobicContact CB-CD2 4.47Å; L213-Y216 HydrophobicContact CD2-CD2 4.17Å; L213-Y216 HydrophobicContact CD2-CE2 4.46Å; L213-Y216 WeakPolarHBondContact O-CA 3.3Å; L213-Y216 WeakPolarHBondContact O-CB 3.45Å; L213-Y216 PolarHBondContact O-N 2.78Å; L213-V217 PolarHBondContact O-N 3.22Å; L213-V217 VanDerWaalsContact O-N 3.12Å
214K78.1Confident75.8Confident99 Ų9977.9 Ų77.943%0.4338%0.377SS..Hα-helixtrans-42-48.3-177.5-95.2175.3168172.60114.2R210 Q211 Y216 V217 H218R210-K214 PolarHBondContact O-N 3.06Å; Q211-K214 VanDerWaalsContact CD-NZ 3.34Å; Q211-K214 WeakPolarHBondContact O-CG 3.5Å; K214-Y216 VanDerWaalsContact C-N 3.33Å; K214-Y216 PolarHBondContact O-N 2.96Å; K214-V217 PolarHBondContact O-N 3.49Å; K214-H218 PolarHBondContact O-N 3.06Å; K214-H218 PolarHBondContact O-ND1 3.49Å
215M77.3Confident76.7Confident105 Ų10574.3 Ų74.352%0.51736%0.359SS..Hα-helixtrans-58-44.8178.9-66.5-175.869.100112.2L213 V217 H218 H219 L268L213-M215 VanDerWaalsContact C-N 3.27Å; L213-M215 PolarHBondContact O-N 3.13Å; M215-V217 PolarHBondContact O-N 3.24Å; M215-H218 PolarHBondContact O-N 2.73Å; M215-H219 PolarHBondContact O-CD2 2.88Å; M215-L268 HydrophobicContact CB-CD1 4.33Å
216Y77.8Confident77.5Confident0 Ų074 Ų740%036%0.357CS..Hα-helixtrans-66-37.1178.5-65.2-93.9000112.5F174 P175 Q176 L213 K214 H218 H219 V266 L268F174-Y216 WeakPolarHBondContact CA-OH 3.09Å; F174-Y216 HydrophobicContact CB-CE2 3.83Å; F174-Y216 HydrophobicContact CD1-CD1 4.09Å; F174-Y216 HydrophobicContact CD1-CD2 4.05Å; F174-Y216 AromaticContact CD1-CE1 3.89Å; F174-Y216 HydrophobicContact CD1-CE1 3.89Å; F174-Y216 AromaticContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CE2 3.88Å; F174-Y216 HydrophobicContact CD1-CG 4.15Å; F174-Y216 AromaticContact CD1-CZ 3.77Å; F174-Y216 HydrophobicContact CG-CE2 4.34Å; P175-Y216 WeakPolarHBondContact CD-OH 3.31Å; Q176-Y216 HydrophobicContact CB-CE2 3.91Å; Q176-Y216 WeakPolarHBondContact CB-OH 3.47Å; Q176-Y216 PolarHBondContact N-OH 3.22Å; L213-Y216 HydrophobicContact CB-CD2 4.47Å; L213-Y216 HydrophobicContact CD2-CD2 4.17Å; L213-Y216 HydrophobicContact CD2-CE2 4.46Å; L213-Y216 WeakPolarHBondContact O-CA 3.3Å; L213-Y216 WeakPolarHBondContact O-CB 3.45Å; L213-Y216 PolarHBondContact O-N 2.78Å; K214-Y216 VanDerWaalsContact C-N 3.33Å; K214-Y216 PolarHBondContact O-N 2.96Å; Y216-H218 VanDerWaalsContact C-N 3.27Å; Y216-H218 PolarHBondContact O-N 2.9Å; Y216-H219 PolarHBondContact O-N 3.11Å; Y216-V266 HydrophobicContact CD1-CG1 4.2Å; Y216-V266 HydrophobicContact CE1-CB 4.45Å; Y216-V266 HydrophobicContact CE1-CG1 4Å; Y216-V266 VanDerWaalsContact CE1-O 3.27Å; Y216-V266 WeakPolarHBondContact CE1-O 3.31Å; Y216-V266 PolarHBondContact OH-O 2.99Å; Y216-L268 HydrophobicContact CD1-CD1 4.4Å; Y216-L268 HydrophobicContact CD1-CD2 3.61Å; Y216-L268 HydrophobicContact CD1-CG 3.86Å; Y216-L268 HydrophobicContact CE1-CD1 4.36Å; Y216-L268 HydrophobicContact CE1-CD2 3.96Å; Y216-L268 HydrophobicContact CE1-CG 3.72Å; Y216-L268 HydrophobicContact CG-CD2 4.3Å
217V76.2Confident78.2Confident24 Ų2470.5 Ų70.515%0.14534%0.338CS..Hα-helixtrans-66.5-26.9179.3-178.60000112.6P202 R210 L213 K214 M215P202-V217 HydrophobicContact CB-CG1 3.85Å; R210-V217 HydrophobicContact CG-CG1 4.39Å; R210-V217 HydrophobicContact CG-CG2 3.94Å; L213-V217 PolarHBondContact O-N 3.22Å; L213-V217 VanDerWaalsContact O-N 3.12Å; K214-V217 PolarHBondContact O-N 3.49Å; M215-V217 PolarHBondContact O-N 3.24Å
218H67.8Low79.1Confident155 Ų15566 Ų6672%0.71831%0.308SS*.THydrogen-bonded Turntrans-84.4-10.4177-68.275.5000113.2K214 M215 Y216K214-H218 PolarHBondContact O-N 3.06Å; K214-H218 PolarHBondContact O-ND1 3.49Å; M215-H218 PolarHBondContact O-N 2.73Å; Y216-H218 VanDerWaalsContact C-N 3.27Å; Y216-H218 PolarHBondContact O-N 2.9Å
219H69.3Low79.6Confident66 Ų6665.5 Ų65.531%0.30630%0.299SS..SBendtrans-104.8129.2175.4-65.3-60.7000110.2M215 Y216 H223 L268M215-H219 PolarHBondContact O-CD2 2.88Å; Y216-H219 PolarHBondContact O-N 3.11Å; H219-H223 HydrophobicContact CB-CB 4.44Å; H219-L268 HydrophobicContact CB-CD2 4.03Å
220Q65.6Low80.1Confident138 Ų13865 Ų6565%0.64530%0.297SS*.  trans-61.2151.8173.5-68.9169-53.100110.9E222 H223Q220-E222 PolarHBondContact O-N 3.36Å; Q220-H223 PolarHBondContact O-N 3.03Å
221F68.1Low80.6Confident54 Ų5462.3 Ų62.324%0.23729%0.289CS..G310 helixtrans-52.9-28.7-178.1-73.7-86.6000113.6I193 L196 I200 H223 V224I193-F221 HydrophobicContact CG1-CD1 4.21Å; I193-F221 HydrophobicContact CG1-CE1 4.45Å; L196-F221 HydrophobicContact CB-CE1 4.08Å; I200-F221 HydrophobicContact CB-CE1 3.92Å; I200-F221 HydrophobicContact CB-CZ 3.96Å; I200-F221 HydrophobicContact CD1-CE1 4.16Å; I200-F221 HydrophobicContact CG2-CE1 4.1Å; I200-F221 HydrophobicContact CG2-CZ 4.09Å; F221-H223 PolarHBondContact O-N 2.91Å; F221-V224 WeakPolarHBondContact O-CB 3.33Å; F221-V224 PolarHBondContact O-N 3.31Å
222E67.8Low80.5Confident159 Ų15960.5 Ų60.574%0.74330%0.302SS*.G310 helixtrans-57.8-25.7174.6-62.2178.5-164.600114.3Q220Q220-E222 PolarHBondContact O-N 3.36Å
223H78.2Confident80.4Confident56 Ų5659 Ų5926%0.25929%0.293SS..G310 helixtrans-94.96177.3-67.8153.9000113.6H219 Q220 F221 R269H219-H223 HydrophobicContact CB-CB 4.44Å; Q220-H223 PolarHBondContact O-N 3.03Å; F221-H223 PolarHBondContact O-N 2.91Å; H223-R269 HydrophobicContact CB-CB 4.29Å; H223-R269 PolarHBondContact NE2-NH1 2.87Å; H223-R269 PolarHBondContact O-N 3.32Å
224V85Confident80.1Confident7 Ų767.8 Ų67.84%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-109.9126.4179.9-1750000109.4I200 F221 V266 L268I200-V224 HydrophobicContact CD1-CG1 4.33Å; F221-V224 WeakPolarHBondContact O-CB 3.33Å; F221-V224 PolarHBondContact O-N 3.31Å; V224-V266 HydrophobicContact CG1-CG1 3.37Å; V224-L268 HydrophobicContact CG2-CD2 4.16Å
225K89.6Confident79.7Confident55 Ų5567.1 Ų67.124%0.23934%0.344CS..EExtended strand (participates in β ladder)trans-114.6147.3168-73.9-171.2177.7-149.60110.9F227 E242 V267 W272K225-F227 HydrophobicContact CB-CD2 4.49Å; K225-F227 HydrophobicContact CB-CE1 4.39Å; K225-F227 HydrophobicContact CB-CE2 3.72Å; K225-F227 HydrophobicContact CB-CZ 3.67Å; K225-F227 HydrophobicContact CD-CZ 3.94Å; K225-F227 HydrophobicContact CG-CZ 4.46Å; K225-E242 WeakPolarHBondContact CE-OE1 3.46Å; K225-E242 VanDerWaalsContact NZ-CD 3.31Å; K225-E242 IonicContact NZ-OE1 3.26Å; K225-E242 PolarHBondContact NZ-OE1 3.3Å; K225-E242 IonicContact NZ-OE2 2.56Å; K225-E242 PolarHBondContact NZ-OE2 2.89Å; K225-V267 PolarHBondContact N-O 3.29Å; K225-V267 PolarHBondContact O-N 3.27Å; K225-W272 HydrophobicContact CD-CD2 3.8Å; K225-W272 HydrophobicContact CD-CE3 4.25Å; K225-W272 HydrophobicContact CD-CG 4.27Å; K225-W272 HydrophobicContact CD-CH2 4.28Å; K225-W272 HydrophobicContact CD-CZ2 3.82Å; K225-W272 HydrophobicContact CD-CZ3 4.47Å; K225-W272 HydrophobicContact CG-CD2 4.32Å; K225-W272 HydrophobicContact CG-CH2 4.45Å; K225-W272 HydrophobicContact CG-CZ2 3.64Å
226V91.9Very high79.6Confident1 Ų170.1 Ų70.11%0.00636%0.362CS..EExtended strand (participates in β ladder)trans-107.2125.8177.2-175.10000108.9L192 L196 L243 V245 L264 H265L192-V226 HydrophobicContact CD1-CG1 4.4Å; L196-V226 HydrophobicContact CD1-CG2 3.66Å; V226-L243 HydrophobicContact CB-CB 4.12Å; V226-L243 HydrophobicContact CG1-CB 4.16Å; V226-L243 HydrophobicContact CG1-CD1 3.96Å; V226-L243 HydrophobicContact CG1-CG 4.26Å; V226-L243 PolarHBondContact O-N 3.44Å; V226-V245 HydrophobicContact CG2-CG2 4.24Å; V226-L264 HydrophobicContact CG1-CB 3.97Å; V226-L264 HydrophobicContact CG1-CD1 4.38Å; V226-H265 CarbonylContact C-O 3.57Å; V226-H265 WeakPolarHBondContact CA-O 3.08Å
227F93.3Very high79.8Confident4 Ų472.4 Ų72.42%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-119.7136.2179.7-62.2-68.1000111.1K225 Y240 H241 E242 H265 V267 Y275 L277K225-F227 HydrophobicContact CB-CD2 4.49Å; K225-F227 HydrophobicContact CB-CE1 4.39Å; K225-F227 HydrophobicContact CB-CE2 3.72Å; K225-F227 HydrophobicContact CB-CZ 3.67Å; K225-F227 HydrophobicContact CD-CZ 3.94Å; K225-F227 HydrophobicContact CG-CZ 4.46Å; F227-Y240 HydrophobicContact CB-CD1 4.04Å; F227-Y240 HydrophobicContact CB-CG 4.31Å; F227-H241 CarbonylContact C-O 3.52Å; F227-H241 WeakPolarHBondContact CA-O 3.27Å; F227-E242 HydrophobicContact CD1-CB 4.25Å; F227-E242 HydrophobicContact CD1-CG 4.41Å; F227-E242 HydrophobicContact CE1-CB 4.08Å; F227-E242 HydrophobicContact CE1-CG 3.95Å; F227-H265 HydrophobicContact CB-CB 4.35Å; F227-H265 PolarHBondContact N-O 2.61Å; F227-H265 PolarHBondContact O-N 3.15Å; F227-V267 HydrophobicContact CD2-CB 3.9Å; F227-V267 HydrophobicContact CD2-CG2 3.73Å; F227-V267 HydrophobicContact CE2-CB 3.9Å; F227-V267 HydrophobicContact CE2-CG1 4.34Å; F227-V267 HydrophobicContact CE2-CG2 4.23Å; F227-Y275 HydrophobicContact CB-CD1 3.81Å; F227-Y275 HydrophobicContact CB-CE1 4.45Å; F227-Y275 HydrophobicContact CB-CG 4.47Å; F227-Y275 AromaticContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD2 4.35Å; F227-Y275 AromaticContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CE2-CG 4.15Å; F227-Y275 AromaticContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CG 4.12Å; F227-L277 HydrophobicContact CD1-CD2 4.16Å; F227-L277 HydrophobicContact CE1-CD2 3.8Å
228M93.6Very high80.2Confident8 Ų874.4 Ų74.44%0.03939%0.39CS..EExtended strand (participates in β ladder)trans-117.5130.5171.3-174.4-179.776.800109.8A230 Y240 H241 L243 L253 K256 P262 L264M228-A230 PolarHBondContact O-N 3.5Å; M228-Y240 WeakPolarHBondContact O-CA 3.38Å; M228-H241 PolarHBondContact N-O 2.87Å; M228-H241 PolarHBondContact O-N 3.06Å; M228-L243 HydrophobicContact CB-CD1 4.19Å; M228-L243 HydrophobicContact CB-CD2 4.19Å; M228-L243 HydrophobicContact CB-CG 4.28Å; M228-L253 HydrophobicContact CE-CD2 4.26Å; M228-L253 HydrophobicContact SD-CD2 3.74Å; M228-K256 HydrophobicContact CE-CB 3.64Å; M228-K256 HydrophobicContact CE-CD 3.7Å; M228-K256 HydrophobicContact CE-CG 4.18Å; M228-P262 HydrophobicContact SD-CB 4.35Å; M228-L264 HydrophobicContact CB-CD2 4.31Å; M228-L264 HydrophobicContact CG-CD2 4.45Å
229K91.4Very high81.2Confident77 Ų7770.3 Ų70.334%0.33537%0.368SS..EExtended strand (participates in β ladder)trans-55.6138.2179.6-174.5179.2164.1-1310111.5E231 V238 Y240K229-E231 WeakPolarHBondContact CD-OE1 3.47Å; K229-E231 IonicContact NZ-OE1 3.02Å; K229-E231 PolarHBondContact NZ-OE1 3.11Å; K229-E231 IonicContact NZ-OE2 3.03Å; K229-E231 PolarHBondContact NZ-OE2 3.14Å; K229-E231 PolarHBondContact O-N 3.22Å; K229-V238 HydrophobicContact CG-CG1 4.37Å; K229-Y240 HydrophobicContact CB-CD1 4.3Å; K229-Y240 HydrophobicContact CB-CE1 4.09Å
230A90.1Very high82.2Confident6 Ų668.7 Ų68.75%0.0536%0.36CS..  trans-86.599.3176.100000110.5M228 R239 H241M228-A230 PolarHBondContact O-N 3.5Å; A230-R239 VanDerWaalsContact CB-O 3.27Å; A230-R239 WeakPolarHBondContact CB-O 3.42Å; A230-R239 PolarHBondContact N-O 2.97Å; A230-H241 VanDerWaalsContact CB-CE1 3.48Å; A230-H241 WeakPolarHBondContact CB-CE1 3.23Å
231E88.9Confident83.4Confident57 Ų5763.1 Ų63.127%0.26633%0.334SS..  trans-72.4156.7-179.9-61.5-58.2163.400113.2K229 T257 I259K229-E231 WeakPolarHBondContact CD-OE1 3.47Å; K229-E231 IonicContact NZ-OE1 3.02Å; K229-E231 PolarHBondContact NZ-OE1 3.11Å; K229-E231 IonicContact NZ-OE2 3.03Å; K229-E231 PolarHBondContact NZ-OE2 3.14Å; K229-E231 PolarHBondContact O-N 3.22Å; E231-T257 HydrophobicContact CB-CG2 4.17Å; E231-I259 HydrophobicContact CB-CD1 4.04Å; E231-I259 HydrophobicContact CB-CG1 4.36Å; E231-I259 HydrophobicContact CG-CD1 3.84Å; E231-I259 HydrophobicContact CG-CG1 4.08Å
232G78.7Confident84.5Confident79 Ų7964.2 Ų64.281%0.81434%0.34SS*.SBendtrans87.118.3179.100000115.8
233R78.7Confident85.7Confident89 Ų8956.9 Ų56.934%0.33631%0.306SS..SBendtrans-108.9160.3174.6-67.5-173.7169.5-161.8-6.7112
234K75.8Confident86.2Confident184 Ų18457 Ų5780%0.831%0.308SS*.  trans-55.5141.9171.9-64.5-175.6179.6-177.30109.5N236 S237K234-N236 PolarHBondContact O-N 2.94Å; K234-N236 VanDerWaalsContact O-N 3.08Å; K234-S237 PolarHBondContact O-N 3.14Å
235A69.2Low86.4Confident85 Ų8558 Ų5870%0.70231%0.314SS*.THydrogen-bonded Turntrans-51.7-38.1-17500000113.4S237 V238A235-S237 PolarHBondContact O-N 3.03Å; A235-S237 VanDerWaalsContact O-N 3.15Å; A235-V238 WeakPolarHBondContact O-CG2 3.46Å
236N75.1Confident86.4Confident169 Ų16962.9 Ų62.990%0.90434%0.337SS*.THydrogen-bonded Turntrans-76.97-179.2-52.44.5000113.7K234K234-N236 PolarHBondContact O-N 2.94Å; K234-N236 VanDerWaalsContact O-N 3.08Å
237S81.5Confident86.4Confident47 Ų4767.9 Ų67.933%0.32936%0.359SS..  trans-13351.6-178.9-164.20000111.2K234 A235 R239K234-S237 PolarHBondContact O-N 3.14Å; A235-S237 PolarHBondContact O-N 3.03Å; A235-S237 VanDerWaalsContact O-N 3.15Å; S237-R239 PolarHBondContact O-N 3.32Å
238V84.3Confident86.5Confident67 Ų6768.6 Ų68.641%0.40637%0.365SS..  trans-60121.6169.9-173.70000108.4K229 A235 Y240K229-V238 HydrophobicContact CG-CG1 4.37Å; A235-V238 WeakPolarHBondContact O-CG2 3.46Å; V238-Y240 HydrophobicContact CG1-CE2 3.79Å
239R88.7Confident86.4Confident69 Ų6968.2 Ų68.226%0.2636%0.363SS..  trans-135.2164.8173-65.2-136.9-162148.10.1109.6A230 S237 P276 L277 G279A230-R239 VanDerWaalsContact CB-O 3.27Å; A230-R239 WeakPolarHBondContact CB-O 3.42Å; A230-R239 PolarHBondContact N-O 2.97Å; S237-R239 PolarHBondContact O-N 3.32Å; R239-P276 CarbonylContact C-O 3.51Å; R239-P276 VanDerWaalsContact CA-O 3.26Å; R239-P276 WeakPolarHBondContact CA-O 3.44Å; R239-P276 WeakPolarHBondContact CB-O 3.44Å; R239-L277 WeakPolarHBondContact CD-O 3.35Å; R239-G279 PolarHBondContact NH1-O 3.22Å
240Y90.9Very high86.5Confident31 Ų3168.2 Ų68.212%0.12236%0.361CS..EExtended strand (participates in β ladder)trans-123.4151.6-174.5-64.3-92.4000112.3F227 M228 K229 V238 H265 Y275 P276 L277 K278F227-Y240 HydrophobicContact CB-CD1 4.04Å; F227-Y240 HydrophobicContact CB-CG 4.31Å; M228-Y240 WeakPolarHBondContact O-CA 3.38Å; K229-Y240 HydrophobicContact CB-CD1 4.3Å; K229-Y240 HydrophobicContact CB-CE1 4.09Å; V238-Y240 HydrophobicContact CG1-CE2 3.79Å; Y240-H265 AromaticContact CE1-CD2 3.86Å; Y240-H265 AromaticContact CE1-NE2 4Å; Y240-Y275 AromaticContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CE1 4.1Å; Y240-Y275 AromaticContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CG 4.29Å; Y240-Y275 AromaticContact CE1-CD1 3.66Å; Y240-Y275 HydrophobicContact CE1-CD1 3.66Å; Y240-Y275 AromaticContact CE1-CE1 3.66Å; Y240-Y275 HydrophobicContact CE1-CE1 3.66Å; Y240-Y275 AromaticContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CE1 4.12Å; Y240-Y275 HydrophobicContact CE2-CG 4.4Å; Y240-Y275 AromaticContact CG-CD1 3.69Å; Y240-Y275 HydrophobicContact CG-CD1 3.69Å; Y240-Y275 AromaticContact CZ-CD1 3.66Å; Y240-Y275 AromaticContact CZ-CE1 3.67Å; Y240-P276 PolarHBondContact N-O 3.49Å; Y240-L277 CarbonylContact O-C 3.57Å; Y240-L277 WeakPolarHBondContact O-CA 3.43Å; Y240-K278 PolarHBondContact O-N 2.62Å
241H90.2Very high86.6Confident21 Ų2172.2 Ų72.210%0.09738%0.381CS..EExtended strand (participates in β ladder)trans-92.7124161.7-58.2101000107.4F227 M228 A230 L243 K256F227-H241 CarbonylContact C-O 3.52Å; F227-H241 WeakPolarHBondContact CA-O 3.27Å; M228-H241 PolarHBondContact N-O 2.87Å; M228-H241 PolarHBondContact O-N 3.06Å; A230-H241 VanDerWaalsContact CB-CE1 3.48Å; A230-H241 WeakPolarHBondContact CB-CE1 3.23Å; H241-L243 HydrophobicContact CB-CD2 4.37Å; H241-K256 HydrophobicContact CB-CD 4.05Å
242E92.6Very high86.8Confident78 Ų7869.8 Ų69.836%0.36437%0.37SS..EExtended strand (participates in β ladder)trans-65.9136.5161.4-164.7165.8146.500108.4K225 F227 L277K225-E242 WeakPolarHBondContact CE-OE1 3.46Å; K225-E242 VanDerWaalsContact NZ-CD 3.31Å; K225-E242 IonicContact NZ-OE1 3.26Å; K225-E242 PolarHBondContact NZ-OE1 3.3Å; K225-E242 IonicContact NZ-OE2 2.56Å; K225-E242 PolarHBondContact NZ-OE2 2.89Å; F227-E242 HydrophobicContact CD1-CB 4.25Å; F227-E242 HydrophobicContact CD1-CG 4.41Å; F227-E242 HydrophobicContact CE1-CB 4.08Å; F227-E242 HydrophobicContact CE1-CG 3.95Å; E242-L277 HydrophobicContact CB-CD2 3.91Å
243L91.2Very high87.5Confident5 Ų566 Ų663%0.02633%0.331CS..EExtended strand (participates in β ladder)trans-109.5139.6172.3-52.9-166.3000108.8L192 V226 M228 H241 N252 K256 L264L192-L243 HydrophobicContact CD1-CB 3.53Å; L192-L243 HydrophobicContact CD1-CD1 3.88Å; L192-L243 HydrophobicContact CD1-CG 4.38Å; V226-L243 HydrophobicContact CB-CB 4.12Å; V226-L243 HydrophobicContact CG1-CB 4.16Å; V226-L243 HydrophobicContact CG1-CD1 3.96Å; V226-L243 HydrophobicContact CG1-CG 4.26Å; V226-L243 PolarHBondContact O-N 3.44Å; M228-L243 HydrophobicContact CB-CD1 4.19Å; M228-L243 HydrophobicContact CB-CD2 4.19Å; M228-L243 HydrophobicContact CB-CG 4.28Å; H241-L243 HydrophobicContact CB-CD2 4.37Å; L243-N252 WeakPolarHBondContact CA-OD1 3.29Å; L243-N252 WeakPolarHBondContact CB-OD1 3.43Å; L243-N252 HydrophobicContact CD2-CB 4.46Å; L243-K256 HydrophobicContact CD2-CD 4.25Å; L243-L264 HydrophobicContact CD1-CD2 3.56Å
244D89.9Confident88.2Confident58 Ų5863 Ų6331%0.3132%0.324SS..  trans-86.7122.2-179-176-22000109.4E246 K247 N252D244-E246 VanDerWaalsContact C-N 3.28Å; D244-E246 PolarHBondContact O-N 2.9Å; D244-E246 PolarHBondContact OD1-N 3.21Å; D244-E246 VanDerWaalsContact OD1-N 3.1Å; D244-K247 HydrophobicContact CB-CB 4.21Å; D244-K247 HydrophobicContact CB-CD 4.1Å; D244-K247 HydrophobicContact CB-CG 4.11Å; D244-K247 PolarHBondContact O-N 2.9Å; D244-K247 IonicContact OD2-NZ 3.52Å; D244-K247 PolarHBondContact OD2-NZ 3.08Å; D244-N252 PolarHBondContact N-OD1 3.38Å; D244-N252 PolarHBondContact O-ND2 2.97Å
245V89Confident89Confident27 Ų2762.4 Ų62.416%0.16432%0.318CS..SBendtrans-69.4-28.1-171-172.80000112.1L192 I193 V226L192-V245 HydrophobicContact CB-CG1 4.5Å; L192-V245 PolarHBondContact N-O 3Å; I193-V245 HydrophobicContact CB-CG1 3.78Å; I193-V245 HydrophobicContact CD1-CG1 4.24Å; I193-V245 HydrophobicContact CG1-CG1 3.77Å; I193-V245 PolarHBondContact N-O 3.43Å; V226-V245 HydrophobicContact CG2-CG2 4.24Å
246E89Confident90.1Very high158 Ų15859.9 Ų59.974%0.73829%0.291SS*.SBendtrans-80.6-27.5-178.5-61.5-178.9178.100112.6T191 D244T191-E246 VanDerWaalsContact CG2-O 3.28Å; T191-E246 WeakPolarHBondContact CG2-O 3.46Å; D244-E246 VanDerWaalsContact C-N 3.28Å; D244-E246 PolarHBondContact O-N 2.9Å; D244-E246 PolarHBondContact OD1-N 3.21Å; D244-E246 VanDerWaalsContact OD1-N 3.1Å
247K92.6Very high91Very high106 Ų10653.8 Ų53.846%0.46126%0.26SS..SBendtrans-76.5156.6-178.1-71.5-172.7175.377.10112.6T191 L192 D244 D251 N252T191-K247 WeakPolarHBondContact CA-O 3.39Å; L192-K247 PolarHBondContact N-O 3.13Å; D244-K247 HydrophobicContact CB-CB 4.21Å; D244-K247 HydrophobicContact CB-CD 4.1Å; D244-K247 HydrophobicContact CB-CG 4.11Å; D244-K247 PolarHBondContact O-N 2.9Å; D244-K247 IonicContact OD2-NZ 3.52Å; D244-K247 PolarHBondContact OD2-NZ 3.08Å; K247-D251 HydrophobicContact CB-CB 4.46Å; K247-N252 WeakPolarHBondContact CB-ND2 3.47Å; K247-N252 PolarHBondContact O-ND2 3.5Å
248S94.3Very high91.6Very high19 Ų1951.8 Ų51.813%0.13325%0.246CC..BIsolated β-bridgetrans-59.9155.317377.70000111.4R250 D251 N252S248-R250 PolarHBondContact O-N 3.4Å; S248-R250 PolarHBondContact OG-N 3.26Å; S248-D251 PolarHBondContact O-N 2.79Å; S248-D251 PolarHBondContact OG-N 2.91Å; S248-D251 PolarHBondContact OG-OD2 3Å; S248-N252 WeakPolarHBondContact O-CB 3.24Å; S248-N252 PolarHBondContact O-N 2.95Å; S248-N252 PolarHBondContact O-ND2 2.85Å
249L93.4Very high92.1Very high0 Ų050.7 Ų50.70%024%0.237CC..Hα-helixtrans-59.6-38.8172.2179.564.4000110.7W168 L170 V186 Q190 L192 I195 N252 L253W168-L249 HydrophobicContact CB-CD2 4.36Å; W168-L249 HydrophobicContact CG-CD2 4.19Å; L170-L249 HydrophobicContact CD1-CD2 3.95Å; L170-L249 HydrophobicContact CD2-CD1 4.43Å; L170-L249 HydrophobicContact CD2-CD2 4.23Å; V186-L249 HydrophobicContact CG1-CD2 4.23Å; Q190-L249 PolarHBondContact O-N 3.36Å; L192-L249 HydrophobicContact CD2-CD1 3.96Å; I195-L249 HydrophobicContact CD1-CB 4.25Å; I195-L249 HydrophobicContact CD1-CD2 4.13Å; L249-N252 PolarHBondContact O-N 3.43Å; L249-L253 HydrophobicContact CD1-CD1 3.84Å; L249-L253 HydrophobicContact CD1-CG 4.01Å; L249-L253 HydrophobicContact CG-CD1 3.88Å; L249-L253 HydrophobicContact CG-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 VanDerWaalsContact O-CG 3.23Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.17Å
250R91.8Very high92.3Very high77 Ų7747.5 Ų47.529%0.29123%0.225SC..Hα-helixtrans-56.8-53.6174.7178.7-179.8-66.5-1770.7112.5K164 D188 S248 N252 L253 S254K164-R250 PolarHBondContact O-NH2 2.61Å; D188-R250 HydrophobicContact CB-CB 4.07Å; D188-R250 VanDerWaalsContact O-CB 3.29Å; D188-R250 WeakPolarHBondContact O-CB 3.28Å; D188-R250 PolarHBondContact O-N 2.92Å; D188-R250 IonicContact OD1-CZ 2.87Å; D188-R250 IonicContact OD1-NE 3.86Å; D188-R250 IonicContact OD1-NH2 3.71Å; D188-R250 PolarHBondContact OD1-NH2 3.23Å; D188-R250 IonicContact OD2-CZ 2.88Å; D188-R250 VanDerWaalsContact OD2-CZ 3.29Å; D188-R250 IonicContact OD2-NE 3.68Å; D188-R250 PolarHBondContact OD2-NE 3.45Å; D188-R250 IonicContact OD2-NH2 2.84Å; D188-R250 PolarHBondContact OD2-NH2 2.76Å; S248-R250 PolarHBondContact O-N 3.4Å; S248-R250 PolarHBondContact OG-N 3.26Å; R250-N252 VanDerWaalsContact C-N 3.28Å; R250-N252 PolarHBondContact O-N 3.44Å; R250-L253 PolarHBondContact O-N 3.23Å; R250-L253 VanDerWaalsContact O-N 3.15Å; R250-S254 PolarHBondContact O-N 3.46Å
251D92.8Very high92.4Very high90 Ų9046.3 Ų46.348%0.48122%0.221SC..Hα-helixtrans-64.4-39-178.1-58.9-44.7000110.6K247 S248 L253 S254K247-D251 HydrophobicContact CB-CB 4.46Å; S248-D251 PolarHBondContact O-N 2.79Å; S248-D251 PolarHBondContact OG-N 2.91Å; S248-D251 PolarHBondContact OG-OD2 3Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 2.84Å; D251-S254 WeakPolarHBondContact O-CB 3.4Å; D251-S254 PolarHBondContact O-N 3.03Å; D251-S254 PolarHBondContact O-OG 3.35Å
252N93.7Very high92.6Very high6 Ų645.4 Ų45.43%0.03222%0.216CC..Hα-helixtrans-64.2-33174.4-89.4-64.2000114L192 L243 D244 K247 S248 L249 R250 K256L192-N252 HydrophobicContact CD1-CB 4.36Å; L243-N252 WeakPolarHBondContact CA-OD1 3.29Å; L243-N252 WeakPolarHBondContact CB-OD1 3.43Å; L243-N252 HydrophobicContact CD2-CB 4.46Å; D244-N252 PolarHBondContact N-OD1 3.38Å; D244-N252 PolarHBondContact O-ND2 2.97Å; K247-N252 WeakPolarHBondContact CB-ND2 3.47Å; K247-N252 PolarHBondContact O-ND2 3.5Å; S248-N252 WeakPolarHBondContact O-CB 3.24Å; S248-N252 PolarHBondContact O-N 2.95Å; S248-N252 PolarHBondContact O-ND2 2.85Å; L249-N252 PolarHBondContact O-N 3.43Å; R250-N252 VanDerWaalsContact C-N 3.28Å; R250-N252 PolarHBondContact O-N 3.44Å; N252-K256 WeakPolarHBondContact O-CD 3.26Å; N252-K256 WeakPolarHBondContact O-CE 3.31Å; N252-K256 PolarHBondContact O-NZ 2.78Å
253L93.4Very high92.7Very high0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-87.7-16.3178.3-66.4179.6000113.1I140 W168 M228 L249 R250 D251 K256 I258 P262I140-L253 HydrophobicContact CD1-CB 3.94Å; I140-L253 HydrophobicContact CG1-CB 4.41Å; W168-L253 HydrophobicContact CD2-CD1 4.2Å; W168-L253 HydrophobicContact CZ2-CD1 4.06Å; M228-L253 HydrophobicContact CE-CD2 4.26Å; M228-L253 HydrophobicContact SD-CD2 3.74Å; L249-L253 HydrophobicContact CD1-CD1 3.84Å; L249-L253 HydrophobicContact CD1-CG 4.01Å; L249-L253 HydrophobicContact CG-CD1 3.88Å; L249-L253 HydrophobicContact CG-CG 4.35Å; L249-L253 WeakPolarHBondContact O-CB 3.47Å; L249-L253 VanDerWaalsContact O-CG 3.23Å; L249-L253 WeakPolarHBondContact O-CG 3.42Å; L249-L253 PolarHBondContact O-N 3.17Å; R250-L253 PolarHBondContact O-N 3.23Å; R250-L253 VanDerWaalsContact O-N 3.15Å; D251-L253 VanDerWaalsContact C-N 3.34Å; D251-L253 PolarHBondContact O-N 2.84Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 2.97Å; L253-I258 HydrophobicContact CB-CD1 4.14Å; L253-I258 HydrophobicContact CD1-CD1 4.07Å; L253-I258 HydrophobicContact CD2-CD1 3.88Å; L253-I258 HydrophobicContact CG-CD1 4.23Å; L253-P262 HydrophobicContact CD1-CG 3.71Å; L253-P262 HydrophobicContact CD2-CB 4.1Å; L253-P262 HydrophobicContact CD2-CG 4.01Å
254S93.1Very high92.9Very high27 Ų2743 Ų4319%0.18921%0.207CC..THydrogen-bonded Turntrans-55.5141.6176.677.80000112.2R250 D251 K256R250-S254 PolarHBondContact O-N 3.46Å; D251-S254 WeakPolarHBondContact O-CB 3.4Å; D251-S254 PolarHBondContact O-N 3.03Å; D251-S254 PolarHBondContact O-OG 3.35Å; S254-K256 PolarHBondContact O-N 2.95Å
255Y92.1Very high93Very high170 Ų17041.5 Ų41.567%0.66720%0.198SC*.THydrogen-bonded Turntrans58.114.1-177.2-50.8-79.2000115.7N139N139-Y255 HydrophobicContact CB-CD1 3.84Å; N139-Y255 HydrophobicContact CB-CE1 3.64Å; N139-Y255 HydrophobicContact CB-CE2 4.42Å; N139-Y255 HydrophobicContact CB-CG 4.33Å; N139-Y255 PolarHBondContact ND2-OH 3.35Å; N139-Y255 VanDerWaalsContact O-CA 3.26Å; N139-Y255 WeakPolarHBondContact O-CA 3.35Å; N139-Y255 PolarHBondContact O-N 3.36Å
256K93.4Very high93.1Very high32 Ų3240.2 Ų40.214%0.13919%0.19CC..  trans-108.7157.4177.2-61.7174.2-161.9169.20111.2T141 M228 H241 L243 N252 L253 S254T141-K256 PolarHBondContact N-O 2.83Å; M228-K256 HydrophobicContact CE-CB 3.64Å; M228-K256 HydrophobicContact CE-CD 3.7Å; M228-K256 HydrophobicContact CE-CG 4.18Å; H241-K256 HydrophobicContact CB-CD 4.05Å; L243-K256 HydrophobicContact CD2-CD 4.25Å; N252-K256 WeakPolarHBondContact O-CD 3.26Å; N252-K256 WeakPolarHBondContact O-CE 3.31Å; N252-K256 PolarHBondContact O-NZ 2.78Å; L253-K256 WeakPolarHBondContact O-CB 3.49Å; L253-K256 PolarHBondContact O-N 2.97Å; S254-K256 PolarHBondContact O-N 2.95Å
257T93.8Very high93.1Very high42 Ų4232.7 Ų32.726%0.25816%0.155SC..EExtended strand (participates in β ladder)trans-100.4129.2176.9-61.40000109.4T141 E231T141-T257 HydrophobicContact CG2-CG2 4.13Å; T141-T257 WeakPolarHBondContact O-CA 3.2Å; E231-T257 HydrophobicContact CB-CG2 4.17Å
258I94.3Very high92.9Very high4 Ų427.8 Ų27.82%0.02113%0.134CC..EExtended strand (participates in β ladder)trans-125.4134.7-176.4-57.2165.3000108.1I140 T141 L142 R143 W168 L253 P262I140-I258 HydrophobicContact CG2-CD1 3.51Å; I140-I258 HydrophobicContact CG2-CG1 4.36Å; T141-I258 PolarHBondContact O-N 3.22Å; L142-I258 HydrophobicContact CD1-CB 4.09Å; L142-I258 HydrophobicContact CD1-CG2 3.99Å; R143-I258 PolarHBondContact N-O 3.11Å; W168-I258 HydrophobicContact CH2-CD1 4.11Å; W168-I258 HydrophobicContact CZ3-CD1 4.43Å; L253-I258 HydrophobicContact CB-CD1 4.14Å; L253-I258 HydrophobicContact CD1-CD1 4.07Å; L253-I258 HydrophobicContact CD2-CD1 3.88Å; L253-I258 HydrophobicContact CG-CD1 4.23Å; I258-P262 HydrophobicContact CD1-CG 4.24Å; I258-P262 HydrophobicContact CG2-CG 4.25Å
259I93.3Very high92.5Very high44 Ų4433.6 Ų33.623%0.22615%0.153CC..EExtended strand (participates in β ladder)trans-109.3118.1174.8-60.4174.8000108R143 L145 K151 E231 Y261R143-I259 CarbonylContact O-C 3.6Å; R143-I259 WeakPolarHBondContact O-CA 3.36Å; L145-I259 HydrophobicContact CD1-CG2 3.92Å; L145-I259 HydrophobicContact CD2-CG2 3.81Å; L145-I259 HydrophobicContact CG-CG2 3.63Å; K151-I259 WeakPolarHBondContact CE-O 3.38Å; K151-I259 PolarHBondContact NZ-O 3.28Å; E231-I259 HydrophobicContact CB-CD1 4.04Å; E231-I259 HydrophobicContact CB-CG1 4.36Å; E231-I259 HydrophobicContact CG-CD1 3.84Å; E231-I259 HydrophobicContact CG-CG1 4.08Å; I259-Y261 PolarHBondContact O-N 2.89Å
260E92.9Very high92Very high2 Ų239.2 Ų39.21%0.00918%0.183CC..SBendtrans60.3-69.4-170.5-68.2-68171.900114.3R143 F144 L145 K151 S152 N155R143-E260 PolarHBondContact O-N 3.41Å; F144-E260 VanDerWaalsContact CD1-OE2 3.25Å; F144-E260 WeakPolarHBondContact CD1-OE2 3.47Å; L145-E260 WeakPolarHBondContact CA-OE1 3.12Å; L145-E260 HydrophobicContact CB-CG 4.11Å; L145-E260 WeakPolarHBondContact CB-OE1 3.34Å; L145-E260 HydrophobicContact CD1-CG 3.96Å; L145-E260 HydrophobicContact CG-CG 3.98Å; L145-E260 PolarHBondContact N-OE1 3.07Å; K151-E260 HydrophobicContact CB-CG 4.46Å; K151-E260 HydrophobicContact CD-CB 4Å; K151-E260 HydrophobicContact CD-CG 4.27Å; K151-E260 HydrophobicContact CG-CB 4.01Å; K151-E260 HydrophobicContact CG-CG 4.15Å; S152-E260 WeakPolarHBondContact CA-OE1 3.44Å; S152-E260 WeakPolarHBondContact CB-OE1 3.3Å; S152-E260 PolarHBondContact OG-OE1 2.97Å; N155-E260 PolarHBondContact ND2-O 3.18Å; N155-E260 PolarHBondContact ND2-OE2 3.49Å
261Y94.1Very high91.6Very high7 Ų738.3 Ų38.33%0.02718%0.182CC..SBendtrans-150.6152.3-17560-112.8000111.1K151 E154 N155 H169 K171 I259 V263K151-Y261 HydrophobicContact CD-CE1 4.32Å; K151-Y261 VanDerWaalsContact CE-CZ 3.44Å; K151-Y261 HydrophobicContact CG-CD1 4.15Å; K151-Y261 HydrophobicContact CG-CE1 3.45Å; K151-Y261 VanDerWaalsContact CG-CE1 3.45Å; K151-Y261 HydrophobicContact CG-CE2 4.38Å; K151-Y261 PolarHBondContact NZ-O 2.84Å; K151-Y261 VanDerWaalsContact NZ-O 3.07Å; K151-Y261 WeakPolarHBondContact O-CE1 3.46Å; E154-Y261 HydrophobicContact CB-CE1 4.09Å; E154-Y261 PolarHBondContact OE2-OH 3.45Å; N155-Y261 HydrophobicContact CB-CD1 4.03Å; H169-Y261 HydrophobicContact CB-CG 4.38Å; H169-Y261 AromaticContact CD2-CD1 3.69Å; H169-Y261 AromaticContact CD2-CD2 3.87Å; H169-Y261 AromaticContact CD2-CE1 3.82Å; H169-Y261 AromaticContact CD2-CG 3.72Å; H169-Y261 AromaticContact CD2-CZ 3.99Å; H169-Y261 WeakPolarHBondContact O-CB 3.35Å; K171-Y261 HydrophobicContact CB-CD2 4.33Å; K171-Y261 HydrophobicContact CB-CE2 3.67Å; K171-Y261 HydrophobicContact CD-CE2 4.44Å; I259-Y261 PolarHBondContact O-N 2.89Å; Y261-V263 HydrophobicContact CD2-CG2 4.23Å; Y261-V263 HydrophobicContact CE2-CG2 4Å
262P94.6Very high91.3Very high1 Ų137.6 Ų37.61%0.00617%0.173CC..  trans-62.4138.6177.8-17.927.8000112.7W168 H169 L170 K171 M228 L253 I258 L264W168-P262 HydrophobicContact CD2-CG 4.21Å; W168-P262 VanDerWaalsContact CE3-CD 3.49Å; W168-P262 HydrophobicContact CE3-CG 3.91Å; W168-P262 HydrophobicContact CZ3-CG 4.38Å; H169-P262 WeakPolarHBondContact O-CD 3.46Å; L170-P262 HydrophobicContact CD2-CB 3.67Å; L170-P262 HydrophobicContact CD2-CG 3.63Å; K171-P262 PolarHBondContact N-O 3.38Å; K171-P262 VanDerWaalsContact N-O 3.13Å; M228-P262 HydrophobicContact SD-CB 4.35Å; L253-P262 HydrophobicContact CD1-CG 3.71Å; L253-P262 HydrophobicContact CD2-CB 4.1Å; L253-P262 HydrophobicContact CD2-CG 4.01Å; I258-P262 HydrophobicContact CD1-CG 4.24Å; I258-P262 HydrophobicContact CG2-CG 4.25Å; P262-L264 HydrophobicContact CB-CD2 4.25Å
263V95.1Very high90.8Very high31 Ų3146.5 Ų46.519%0.18821%0.211CC..EExtended strand (participates in β ladder)trans-119.4115.7172.7-174.70000107.6K171 I173 Y261K171-V263 HydrophobicContact CB-CG1 4.39Å; K171-V263 HydrophobicContact CB-CG2 4.34Å; K171-V263 HydrophobicContact CG-CG1 4.48Å; K171-V263 CarbonylContact O-C 3.6Å; K171-V263 WeakPolarHBondContact O-CA 3.48Å; I173-V263 HydrophobicContact CD1-CG1 3.47Å; I173-V263 VanDerWaalsContact CD1-CG1 3.47Å; I173-V263 HydrophobicContact CG1-CG1 4.01Å; Y261-V263 HydrophobicContact CD2-CG2 4.23Å; Y261-V263 HydrophobicContact CE2-CG2 4Å
264L94.6Very high90.3Very high2 Ų251.4 Ų51.41%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-107.8123-174.1-50.5-171.9000109.3K171 L172 I173 L192 V226 M228 L243 P262K171-L264 PolarHBondContact O-N 3.01Å; L172-L264 WeakPolarHBondContact CA-O 3.27Å; L172-L264 HydrophobicContact CD2-CB 3.88Å; L172-L264 HydrophobicContact CD2-CD1 3.89Å; L172-L264 HydrophobicContact CD2-CG 4.19Å; I173-L264 PolarHBondContact N-O 3.31Å; L192-L264 HydrophobicContact CD2-CD1 3.81Å; V226-L264 HydrophobicContact CG1-CB 3.97Å; V226-L264 HydrophobicContact CG1-CD1 4.38Å; M228-L264 HydrophobicContact CB-CD2 4.31Å; M228-L264 HydrophobicContact CG-CD2 4.45Å; L243-L264 HydrophobicContact CD1-CD2 3.56Å; P262-L264 HydrophobicContact CB-CD2 4.25Å
265H92.1Very high89.9Confident26 Ų2651.4 Ų51.412%0.1223%0.233CC..EExtended strand (participates in β ladder)trans-94.9119.4173.3-62.8-92.1000109.1I173 V226 F227 Y240 V267 Y275I173-H265 CarbonylContact O-C 3.59Å; I173-H265 WeakPolarHBondContact O-CA 3.42Å; V226-H265 CarbonylContact C-O 3.57Å; V226-H265 WeakPolarHBondContact CA-O 3.08Å; F227-H265 HydrophobicContact CB-CB 4.35Å; F227-H265 PolarHBondContact N-O 2.61Å; F227-H265 PolarHBondContact O-N 3.15Å; Y240-H265 AromaticContact CE1-CD2 3.86Å; Y240-H265 AromaticContact CE1-NE2 4Å; H265-V267 HydrophobicContact CB-CG2 4.12Å; H265-Y275 HydrophobicContact CB-CE1 3.83Å; H265-Y275 AromaticContact CG-CE1 3.92Å
266V90.6Very high89.5Confident0 Ų046.3 Ų46.30%022%0.221CC..EExtended strand (participates in β ladder)trans-98.4111.9179.2-173.70000108.4I173 F174 P175 L196 I200 Y216 V224I173-V266 PolarHBondContact O-N 2.91Å; F174-V266 HydrophobicContact CD1-CB 3.74Å; F174-V266 HydrophobicContact CD1-CG1 3.99Å; F174-V266 HydrophobicContact CD1-CG2 4.3Å; F174-V266 HydrophobicContact CE1-CB 3.72Å; F174-V266 HydrophobicContact CE1-CG1 3.73Å; F174-V266 HydrophobicContact CE1-CG2 3.9Å; F174-V266 HydrophobicContact CG-CB 4.41Å; F174-V266 HydrophobicContact CZ-CB 4.37Å; F174-V266 HydrophobicContact CZ-CG2 4.07Å; P175-V266 VanDerWaalsContact CD-O 3.24Å; P175-V266 WeakPolarHBondContact CD-O 3.47Å; L196-V266 HydrophobicContact CD2-CG1 4.43Å; L196-V266 HydrophobicContact CD2-CG2 3.71Å; I200-V266 HydrophobicContact CD1-CG1 4.07Å; Y216-V266 HydrophobicContact CD1-CG1 4.2Å; Y216-V266 HydrophobicContact CE1-CB 4.45Å; Y216-V266 HydrophobicContact CE1-CG1 4Å; Y216-V266 VanDerWaalsContact CE1-O 3.27Å; Y216-V266 WeakPolarHBondContact CE1-O 3.31Å; Y216-V266 PolarHBondContact OH-O 2.99Å; V224-V266 HydrophobicContact CG1-CG1 3.37Å
267V89.9Confident89Confident0 Ų048.7 Ų48.70%024%0.235CC..EExtended strand (participates in β ladder)trans-127.5129-164.3-174.40000111.2P175 K225 F227 H265 H271 W272 Y275P175-V267 HydrophobicContact CG-CG2 4.27Å; K225-V267 PolarHBondContact N-O 3.29Å; K225-V267 PolarHBondContact O-N 3.27Å; F227-V267 HydrophobicContact CD2-CB 3.9Å; F227-V267 HydrophobicContact CD2-CG2 3.73Å; F227-V267 HydrophobicContact CE2-CB 3.9Å; F227-V267 HydrophobicContact CE2-CG1 4.34Å; F227-V267 HydrophobicContact CE2-CG2 4.23Å; H265-V267 HydrophobicContact CB-CG2 4.12Å; V267-H271 HydrophobicContact CG1-CB 3.79Å; V267-W272 PolarHBondContact O-NE1 3.02Å; V267-Y275 HydrophobicContact CB-CE2 4.45Å; V267-Y275 HydrophobicContact CG1-CD2 4Å; V267-Y275 HydrophobicContact CG1-CE2 3.95Å; V267-Y275 HydrophobicContact CG2-CD1 4.49Å; V267-Y275 HydrophobicContact CG2-CD2 4.01Å; V267-Y275 HydrophobicContact CG2-CE1 4.14Å; V267-Y275 HydrophobicContact CG2-CE2 3.61Å; V267-Y275 HydrophobicContact CG2-CG 4.45Å
268L88.3Confident87.9Confident3 Ų352.3 Ų52.32%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-74.1154.7176-63.8175.2000111.8Q176 M215 Y216 H219 V224 D270 H271 W272Q176-L268 HydrophobicContact CB-CD1 4.41Å; Q176-L268 HydrophobicContact CG-CD1 4.28Å; Q176-L268 HydrophobicContact CG-CG 4.49Å; M215-L268 HydrophobicContact CB-CD1 4.33Å; Y216-L268 HydrophobicContact CD1-CD1 4.4Å; Y216-L268 HydrophobicContact CD1-CD2 3.61Å; Y216-L268 HydrophobicContact CD1-CG 3.86Å; Y216-L268 HydrophobicContact CE1-CD1 4.36Å; Y216-L268 HydrophobicContact CE1-CD2 3.96Å; Y216-L268 HydrophobicContact CE1-CG 3.72Å; Y216-L268 HydrophobicContact CG-CD2 4.3Å; H219-L268 HydrophobicContact CB-CD2 4.03Å; V224-L268 HydrophobicContact CG2-CD2 4.16Å; L268-D270 PolarHBondContact O-N 3.24Å; L268-H271 PolarHBondContact O-N 2.87Å; L268-W272 VanDerWaalsContact O-CD1 3.31Å
269R85.8Confident86.2Confident142 Ų14253.5 Ų53.554%0.53626%0.26SS..G310 helixtrans-43.1-41.1-177.6-173.7170.8174.4175.1-2.1115.6H223 H271 W272H223-R269 HydrophobicContact CB-CB 4.29Å; H223-R269 PolarHBondContact NE2-NH1 2.87Å; H223-R269 PolarHBondContact O-N 3.32Å; R269-H271 PolarHBondContact O-N 3.32Å; R269-W272 VanDerWaalsContact CA-CE2 3.46Å; R269-W272 HydrophobicContact CB-CH2 4.38Å; R269-W272 HydrophobicContact CB-CZ2 4.01Å; R269-W272 HydrophobicContact CG-CD2 4.45Å; R269-W272 HydrophobicContact CG-CE3 4.32Å; R269-W272 HydrophobicContact CG-CH2 3.98Å; R269-W272 HydrophobicContact CG-CZ2 4.11Å; R269-W272 HydrophobicContact CG-CZ3 4.09Å; R269-W272 PolarHBondContact O-N 3.24Å
270D83.3Confident83.8Confident118 Ų11857 Ų5763%0.63129%0.286SS*.G310 helixtrans-65.3-25.6-174.7-48.6-49.5000113.1L268L268-D270 PolarHBondContact O-N 3.24Å
271H83.3Confident81.2Confident57 Ų5760.9 Ų60.926%0.26432%0.319SS..G310 helixtrans-111.410.4-171.3-62.289.3000113.7Q176 V267 L268 R269 K273 D274Q176-H271 VanDerWaalsContact CD-CE1 3.41Å; Q176-H271 VanDerWaalsContact CD-ND1 3.33Å; Q176-H271 PolarHBondContact NE2-CD2 2.88Å; Q176-H271 VanDerWaalsContact NE2-CD2 3.28Å; Q176-H271 PolarHBondContact NE2-CE1 3.47Å; Q176-H271 PolarHBondContact NE2-ND1 3.22Å; Q176-H271 PolarHBondContact OE1-CE1 2.87Å; Q176-H271 PolarHBondContact OE1-ND1 2.86Å; Q176-H271 PolarHBondContact OE1-NE2 3.43Å; V267-H271 HydrophobicContact CG1-CB 3.79Å; L268-H271 PolarHBondContact O-N 2.87Å; R269-H271 PolarHBondContact O-N 3.32Å; H271-K273 PolarHBondContact O-N 3.24Å; H271-K273 VanDerWaalsContact O-N 3.13Å; H271-D274 IonicContact CD2-OD2 3.29Å; H271-D274 PolarHBondContact O-N 2.81Å
272W86.1Confident78.4Confident75 Ų7568.5 Ų68.528%0.28435%0.354SS..G310 helixtrans-58.9-25.3176-67.6-8.7000113.1K225 V267 L268 R269 D274 Y275K225-W272 HydrophobicContact CD-CD2 3.8Å; K225-W272 HydrophobicContact CD-CE3 4.25Å; K225-W272 HydrophobicContact CD-CG 4.27Å; K225-W272 HydrophobicContact CD-CH2 4.28Å; K225-W272 HydrophobicContact CD-CZ2 3.82Å; K225-W272 HydrophobicContact CD-CZ3 4.47Å; K225-W272 HydrophobicContact CG-CD2 4.32Å; K225-W272 HydrophobicContact CG-CH2 4.45Å; K225-W272 HydrophobicContact CG-CZ2 3.64Å; V267-W272 PolarHBondContact O-NE1 3.02Å; L268-W272 VanDerWaalsContact O-CD1 3.31Å; R269-W272 VanDerWaalsContact CA-CE2 3.46Å; R269-W272 HydrophobicContact CB-CH2 4.38Å; R269-W272 HydrophobicContact CB-CZ2 4.01Å; R269-W272 HydrophobicContact CG-CD2 4.45Å; R269-W272 HydrophobicContact CG-CE3 4.32Å; R269-W272 HydrophobicContact CG-CH2 3.98Å; R269-W272 HydrophobicContact CG-CZ2 4.11Å; R269-W272 HydrophobicContact CG-CZ3 4.09Å; R269-W272 PolarHBondContact O-N 3.24Å; W272-D274 VanDerWaalsContact C-N 3.28Å; W272-D274 PolarHBondContact O-N 3.49Å; W272-Y275 PolarHBondContact O-N 2.91Å
273K82.6Confident75.6Confident193 Ų19373.8 Ų73.884%0.83939%0.389SS*.G310 helixtrans-67.5-26.5179.7-64.7178.7-177.91740113.3H271 Y275H271-K273 PolarHBondContact O-N 3.24Å; H271-K273 VanDerWaalsContact O-N 3.13Å; K273-Y275 PolarHBondContact O-N 3.24Å
274D84.1Confident72.7Confident104 Ų10479 Ų7956%0.55642%0.421SS*.G310 helixtrans-78.2-7.1-178.2-53.9-36.9000112.7H271 W272 P276H271-D274 IonicContact CD2-OD2 3.29Å; H271-D274 PolarHBondContact O-N 2.81Å; W272-D274 VanDerWaalsContact C-N 3.28Å; W272-D274 PolarHBondContact O-N 3.49Å; D274-P276 VanDerWaalsContact C-CD 3.42Å; D274-P276 WeakPolarHBondContact O-CD 3.15Å
275Y84.3Confident70.1Confident27 Ų2783.7 Ų83.711%0.10645%0.453CS..SBendtrans-113.872.8-175.7-73.3-95000111.1P175 F227 Y240 H265 V267 W272 K273 L277P175-Y275 VanDerWaalsContact CG-OH 3.26Å; P175-Y275 WeakPolarHBondContact CG-OH 3.23Å; F227-Y275 HydrophobicContact CB-CD1 3.81Å; F227-Y275 HydrophobicContact CB-CE1 4.45Å; F227-Y275 HydrophobicContact CB-CG 4.47Å; F227-Y275 AromaticContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD1 3.86Å; F227-Y275 HydrophobicContact CD2-CD2 4.35Å; F227-Y275 AromaticContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CD2-CG 3.73Å; F227-Y275 HydrophobicContact CE2-CG 4.15Å; F227-Y275 AromaticContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CD1 3.96Å; F227-Y275 HydrophobicContact CG-CG 4.12Å; Y240-Y275 AromaticContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CD1 3.67Å; Y240-Y275 HydrophobicContact CD1-CE1 4.1Å; Y240-Y275 AromaticContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CD1 3.68Å; Y240-Y275 HydrophobicContact CD2-CG 4.29Å; Y240-Y275 AromaticContact CE1-CD1 3.66Å; Y240-Y275 HydrophobicContact CE1-CD1 3.66Å; Y240-Y275 AromaticContact CE1-CE1 3.66Å; Y240-Y275 HydrophobicContact CE1-CE1 3.66Å; Y240-Y275 AromaticContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CD1 3.67Å; Y240-Y275 HydrophobicContact CE2-CE1 4.12Å; Y240-Y275 HydrophobicContact CE2-CG 4.4Å; Y240-Y275 AromaticContact CG-CD1 3.69Å; Y240-Y275 HydrophobicContact CG-CD1 3.69Å; Y240-Y275 AromaticContact CZ-CD1 3.66Å; Y240-Y275 AromaticContact CZ-CE1 3.67Å; H265-Y275 HydrophobicContact CB-CE1 3.83Å; H265-Y275 AromaticContact CG-CE1 3.92Å; V267-Y275 HydrophobicContact CB-CE2 4.45Å; V267-Y275 HydrophobicContact CG1-CD2 4Å; V267-Y275 HydrophobicContact CG1-CE2 3.95Å; V267-Y275 HydrophobicContact CG2-CD1 4.49Å; V267-Y275 HydrophobicContact CG2-CD2 4.01Å; V267-Y275 HydrophobicContact CG2-CE1 4.14Å; V267-Y275 HydrophobicContact CG2-CE2 3.61Å; V267-Y275 HydrophobicContact CG2-CG 4.45Å; W272-Y275 PolarHBondContact O-N 2.91Å; K273-Y275 PolarHBondContact O-N 3.24Å; Y275-L277 PolarHBondContact O-N 2.91Å; Y275-L277 VanDerWaalsContact O-N 3.14Å
276P83.6Confident67.2Low62 Ų6286.8 Ų86.840%0.40348%0.483SS..  trans-62.4119.2-175.925.2-34.7000111.3R239 Y240 D274R239-P276 CarbonylContact C-O 3.51Å; R239-P276 VanDerWaalsContact CA-O 3.26Å; R239-P276 WeakPolarHBondContact CA-O 3.44Å; R239-P276 WeakPolarHBondContact CB-O 3.44Å; Y240-P276 PolarHBondContact N-O 3.49Å; D274-P276 VanDerWaalsContact C-CD 3.42Å; D274-P276 WeakPolarHBondContact O-CD 3.15Å
277L82.8Confident64.5Low83 Ų8398 Ų9844%0.43553%0.525SS..BIsolated β-bridgetrans-64.8160.8-177.4-63.4-175000112.9F227 R239 Y240 E242 Y275 G279F227-L277 HydrophobicContact CD1-CD2 4.16Å; F227-L277 HydrophobicContact CE1-CD2 3.8Å; R239-L277 WeakPolarHBondContact CD-O 3.35Å; Y240-L277 CarbonylContact O-C 3.57Å; Y240-L277 WeakPolarHBondContact O-CA 3.43Å; E242-L277 HydrophobicContact CB-CD2 3.91Å; Y275-L277 PolarHBondContact O-N 2.91Å; Y275-L277 VanDerWaalsContact O-N 3.14Å; L277-G279 PolarHBondContact O-N 3.33Å
278K70.8Confident61.8Low117 Ų117104.1 Ų104.151%0.50956%0.563SS.*  trans-66.760169-164.6-160.6-173172.60112.5Y240Y240-K278 PolarHBondContact O-N 2.62Å
279G57.9Low59.3Low29 Ų29109.4 Ų109.430%0.29960%0.6SS.*  trans-58.9166.7167.500000112.1R239 L277R239-G279 PolarHBondContact NH1-O 3.22Å; L277-G279 PolarHBondContact O-N 3.33Å
280P44.2Very low56.9Low117 Ų117107.5 Ų107.576%0.7661%0.609SS**  trans-47.8148.6177.5-2735000112E282P280-E282 PolarHBondContact O-N 2.69Å; P280-E282 VanDerWaalsContact O-N 3.08Å
281A37.4Very low54.5Low85 Ų85106.3 Ų106.370%0.70262%0.616SS**  trans-73.199.2163.800000106.9P283A281-P283 VanDerWaalsContact O-CD 3.23Å; A281-P283 WeakPolarHBondContact O-CD 3.35Å
282E35.8Very low52Low167 Ų167110.1 Ų110.178%0.7864%0.643SS**  trans-47.4112.6153.5-82.2-72.7130.100106.7P280 V284P280-E282 PolarHBondContact O-N 2.69Å; P280-E282 VanDerWaalsContact O-N 3.08Å; E282-V284 PolarHBondContact O-N 2.73Å; E282-V284 VanDerWaalsContact O-N 3.09Å
283P36Very low49.6Very low112 Ų112117.3 Ų117.373%0.72767%0.67SS**  trans-66.1116176.427.2-30.9000106.5A281 S285A281-P283 VanDerWaalsContact O-CD 3.23Å; A281-P283 WeakPolarHBondContact O-CD 3.35Å; P283-S285 PolarHBondContact O-N 2.77Å
284V34Very low47.2Very low141 Ų141114.1 Ų114.186%0.85567%0.67SS**  trans-54.5112.3176.5176.30000107.3E282 A286E282-V284 PolarHBondContact O-N 2.73Å; E282-V284 VanDerWaalsContact O-N 3.09Å; V284-A286 PolarHBondContact O-N 2.86Å
285S38.8Very low44.7Very low100 Ų100115.6 Ų115.670%0.69968%0.683SS**  trans-48.5116.7179178.10000108.7P283 R287P283-S285 PolarHBondContact O-N 2.77Å; S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 2.86Å
286A32.2Very low42.4Very low90 Ų90120.3 Ų120.374%0.74472%0.72SS**  trans-66.891.8177.800000108V284 T288V284-A286 PolarHBondContact O-N 2.86Å; A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 2.62Å
287R34.1Very low39.8Very low235 Ų235121.3 Ų121.389%0.88774%0.741SS**  trans-64.998.4162.8-78-170.9169.5-162-4.1106.9S285 S289S285-R287 VanDerWaalsContact C-N 3.27Å; S285-R287 PolarHBondContact O-N 2.86Å; R287-S289 PolarHBondContact O-N 2.84Å
288T33.5Very low37.2Very low129 Ų129123.8 Ų123.879%0.79176%0.755SS**  trans-54101.9170.1-6.40000108.2A286 S290A286-T288 VanDerWaalsContact C-N 3.29Å; A286-T288 PolarHBondContact O-N 2.62Å; T288-S290 PolarHBondContact O-N 3.08Å
289S34.8Very low35.3Very low114 Ų114125.5 Ų125.580%0.79777%0.765SS**  trans-7284.9166.355.10000107.5R287 A291R287-S289 PolarHBondContact O-N 2.84Å; S289-A291 PolarHBondContact O-N 3.08Å; S289-A291 VanDerWaalsContact O-N 3.12Å
290S36.4Very low33.8Very low103 Ų103129.6 Ų129.672%0.7278%0.784SS**  trans-53.8115.9175.4-61.10000109.3T288 T292T288-S290 PolarHBondContact O-N 3.08Å; S290-T292 PolarHBondContact O-N 3.39Å; S290-T292 VanDerWaalsContact O-N 3.13Å
291A32.1Very low33.1Very low93 Ų93131.8 Ų131.877%0.76978%0.784SS**  trans-69.1110178.100000109.7S289 R293S289-A291 PolarHBondContact O-N 3.08Å; S289-A291 VanDerWaalsContact O-N 3.12Å; A291-R293 PolarHBondContact O-N 2.74Å; A291-R293 VanDerWaalsContact O-N 3.12Å
292T31.1Very low32.7Very low136 Ų136136 Ų13683%0.83479%0.789SS**  trans-64.2111171.7-53.10000109.1S290S290-T292 PolarHBondContact O-N 3.39Å; S290-T292 VanDerWaalsContact O-N 3.13Å
293R35.5Very low32.2Very low227 Ų227136.3 Ų136.386%0.85779%0.791SS**  trans-75.8128.1164.9-89.4-179.8-79.7-171.8-4.3108.7A291A291-R293 PolarHBondContact O-N 2.74Å; A291-R293 VanDerWaalsContact O-N 3.12Å
294C32.3Very low31.8Very low125 Ų125139.3 Ų139.385%0.84580%0.795SS**  trans-71.6125.1169.2-53.70000109.8
295V31.9Very low31.4Very low136 Ų136141.3 Ų141.382%0.82480%0.795SS**  trans-139.5129.8159.1-1800000107.4
296S34.7Very low30.7Very low126 Ų126139.8 Ų139.888%0.88180%0.795SS**  trans-81.3148.5177.8-460000111.3
297G29.1Very low30.4Very low83 Ų83140.6 Ų140.686%0.85680%0.795SS**  trans-169.4147.5174.100000110.5
298D29.9Very low30.1Very low134 Ų134138.4 Ų138.472%0.71780%0.795SS**  trans-118.9145.7-160-16617.9000113
299Q29.8Very low29.7Very low154 Ų154139.2 Ų139.272%0.7280%0.795SS**  trans48.1160.3156.1-85.4166.991.700125.5
300T27.5Very low29.3Very low115 Ų115140.3 Ų140.371%0.70679%0.791SS**  trans79.4101159.840.30000122.5
301E28.5Very low28.9Very low163 Ų163143.6 Ų143.676%0.76280%0.795SS**  59.1131.6113.7-71.8172.2-178.700124.6
302E28.4Very low29.2Very low172 Ų172143.9 Ų143.980%0.80479%0.789SS**  trans63.8150.8145.9-61.2179.9171.900118.8
303E26.8Very low29.1Very low175 Ų175145.7 Ų145.782%0.81879%0.792SS**  cis-137.4147.13.7-73.3-168.3127.400108.5
304E26.2Very low28.8Very low174 Ų174143.8 Ų143.881%0.81379%0.793SS**  65.6149.385.9-91.6-71.9-174.200119.6
305E25.3Very low28.5Very low183 Ų183141.6 Ų141.686%0.85579%0.791SS**  trans72.9139.5169.4-63.4-139.2140.500124.8
306G25Very low28.3Very low68 Ų68140.5 Ų140.570%0.70179%0.789SS**  trans11666.9152.100000117.6
307S25.6Very low27.8Very low107 Ų107139.8 Ų139.875%0.74878%0.783SS**  66.6137.576.2-68.70000117.6
308Q27.3Very low27.7Very low189 Ų189141.3 Ų141.388%0.88378%0.776SS**  trans80.4141.5170.2-53.6167.21800115.9
309D25.3Very low27.6Very low147 Ų147139.6 Ų139.679%0.78677%0.774SS**  cis-149.7173.46.7-154-3000113.6
310L27.5Very low27.6Very low137 Ų137141 Ų14172%0.71778%0.781SS**  trans-73.9139.3-176.1-69.7160000113.4
311Q28.1Very low27.6Very low172 Ų172144.2 Ų144.280%0.80479%0.788SS**  50.4166.298.3-64.9-161.2900117.5
312P37.4Very low27.5Very low99 Ų99141.3 Ų141.364%0.64379%0.792SS**  cis-131.6172.8-16.635.6-19.2000114.1
313I29.9Very low27.5Very low173 Ų173140.4 Ų140.489%0.88779%0.792SS**  trans-135.8138.7139.4-65.6-170.6000109.6
314Q27.8Very low27.6Very low188 Ų188140.4 Ų140.488%0.87980%0.796SS**  trans-87.2157.8-170.7-63.5161.8-43.900113.9
315G27.4Very low27.6Very low78 Ų78140.1 Ų140.180%0.80480%0.795SS**  trans-170.783.5167.900000112.1
316S27Very low27.7Very low113 Ų113137.6 Ų137.679%0.7979%0.792SS**  trans-66.7157.2177.4720000111.7
317C23.7Very low27.7Very low111 Ų111143.9 Ų143.975%0.7579%0.794SS**  -170.8111.877.4-171.70000114.5
318V26.8Very low27.8Very low116 Ų116144.3 Ų144.370%0.70379%0.793SS**  51.5114.1128.9-169.70000122.4
319S28Very low27.9Very low98 Ų98142.9 Ų142.969%0.68579%0.786SS**  trans77153.9141.881.80000119.7
320Q30.8Very low28Very low183 Ų183143.2 Ų143.286%0.85579%0.788SS**  cis-133.6157.315.6-65.7173.76.500113.3
321Q26.9Very low28.1Very low182 Ų182143.7 Ų143.785%0.8579%0.79SS**  trans-80.8146.9171.2-72.3171-52.400112.2
322A26.7Very low28.1Very low103 Ų103141.3 Ų141.385%0.85179%0.787SS**  trans-154.9100.3140.500000110.3
323N27.5Very low27.8Very low153 Ų153142.2 Ų142.282%0.81879%0.793SS**  trans-84.6130.6166.3-77.7-27.6000109.3
324I30.5Very low27.6Very low174 Ų174143.1 Ų143.189%0.89279%0.793SS**  trans-133.7143.7143.4-59.4-174.3000108.8
325H25.8Very low27.8Very low169 Ų169140.5 Ų140.578%0.78279%0.79SS**  trans-106.6132.4-158168.7101.5000112
326T27.5Very low28Very low130 Ų130145.7 Ų145.780%0.79879%0.794SS**  trans-149.3104.2162.8-31.50000114.3
327R24.9Very low28.3Very low199 Ų199145.7 Ų145.775%0.75179%0.791SS**  trans62.2108133.7-160.1177.5-160.21584.5120.9
328T26.7Very low28.7Very low117 Ų117146.3 Ų146.372%0.71879%0.793SS**  trans-57.6134.9156.9-43.60000113.2
329Q29.9Very low29.1Very low159 Ų159149.1 Ų149.174%0.74380%0.804SS**  trans-147.9118.7145.4-73.6-161.6-31.200109.7
330D26.6Very low29.3Very low153 Ų153153.4 Ų153.482%0.81881%0.813SS**  trans-80123.8170.4-68.1-69.2000110.5
331I29.9Very low29.3Very low148 Ų148154.5 Ų154.576%0.75982%0.815SS**  trans-138.6130.6159.3-56.4-177.9000109.7
332T28.5Very low29.5Very low121 Ų121155.9 Ų155.974%0.74282%0.818SS**  trans-51.1143.7179.5-9.30000115.1
333P30.9Very low29.6Very low119 Ų119155.9 Ų155.977%0.77382%0.818SS**  trans-88.8101.316633.1-30000111.4
334E26.9Very low29.8Very low191 Ų191158.5 Ų158.589%0.89382%0.822SS**  trans-74.7145.7162.1-72.5-156.3138.600110.9
335T30.8Very low29.8Very low134 Ų134162 Ų16282%0.82282%0.824SS**  trans-106.4109.5-173.5-57.70000110.4
336E31.4Very low29.9Very low187 Ų187157.6 Ų157.687%0.87482%0.824SS**PPolyproline II helixtrans-76131.5174.2-70.9-165148.200112.4
337P34.3Very low29.8Very low113 Ų113158.5 Ų158.573%0.73483%0.83SS**PPolyproline II helixtrans-86.9160.4173.733.8-33.8000113.3
338P32.4Very low30Very low123 Ų123152.2 Ų152.280%0.79983%0.827SS**PPolyproline II helixtrans-76.5140.5-163.1-16.832.2000115.8Q340P338-Q340 PolarHBondContact O-N 3.05Å
339L33.5Very low30Very low175 Ų175155.9 Ų155.992%0.91684%0.836SS**PPolyproline II helixtrans-64119.5175.3-68.3168.5000112.8
340Q32.3Very low30Very low188 Ų188157.6 Ų157.688%0.87984%0.844SS**PPolyproline II helixtrans-78.5128.3174.3-66.6-176-4.400111.7P338 K342P338-Q340 PolarHBondContact O-N 3.05Å; Q340-K342 PolarHBondContact O-N 2.74Å
341K31.9Very low30.1Very low207 Ų207159.6 Ų159.690%0.985%0.849SS**PPolyproline II helixtrans-70.6125.3178.3-68.2-179.8177.9179.10110.9A343K341-A343 PolarHBondContact O-N 2.82Å
342K30.3Very low30Very low210 Ų210161.6 Ų161.691%0.91386%0.855SS**PPolyproline II helixtrans-70.3123.5174.8-67.6-180178.3178.50110.8Q340Q340-K342 PolarHBondContact O-N 2.74Å
343A28.4Very low30.1Very low103 Ų103165.2 Ų165.285%0.85186%0.863SS**PPolyproline II helixtrans-76.6126.7168.400000110.1K341K341-A343 PolarHBondContact O-N 2.82Å
344K33Very low30.2Very low209 Ų209169 Ų16991%0.90987%0.871SS**  trans-94.5115.5177.6-165.7175.8-177-176.80108.4
345R28.9Very low30.4Very low246 Ų246163.3 Ų163.393%0.92886%0.863SS**  trans-71.5130.8169.1-74.1-175.1178.4-172.5-0.8109
346G28.8Very low30.5Very low77 Ų77166.1 Ų166.179%0.79487%0.867SS**  trans-106.1151.9162.400000109.6
347T25.6Very low30.5Very low149 Ų149164.8 Ų164.891%0.91486%0.864SS**  trans-119.1146179.6-62.70000108.3
348G28.2Very low30.4Very low67 Ų67165.5 Ų165.569%0.69187%0.866SS**  trans98.2146.1179.700000112.9
349E27.9Very low30.2Very low194 Ų194166.8 Ų166.891%0.90787%0.866SS**  cis-144.1164-3.6-96.1156.1168.500108.8
350E29.8Very low29.9Very low195 Ų195163 Ų16391%0.91186%0.855SS**  trans-86.4124.8175.7-66177.8152.100109.7
351E28.8Very low30Very low195 Ų195158.3 Ų158.391%0.91184%0.843SS**  trans-125.5130.7162.1-73.1-171.8153.400109.3
352Q27Very low30.1Very low190 Ų190155.9 Ų155.989%0.88884%0.839SS**  trans-86.4139.2174.4-66.2168.5-25.600108.8
353E31.8Very low30.3Very low197 Ų197154.4 Ų154.492%0.92184%0.836SS**  trans-138.9109.5154.7-138.4177.9-161.600108.9
354E32.5Very low30.8Very low199 Ų199158.8 Ų158.893%0.9384%0.839SS**  trans-74.8137.7168.2-65.7-175.4142.500108.8
355G30.8Very low30.8Very low72 Ų72157.2 Ų157.274%0.74284%0.835SS**  trans-159.652-170.400000111.9I357G355-I357 PolarHBondContact O-N 2.76Å
356E32Very low30.9Very low192 Ų192154.8 Ų154.890%0.89783%0.834SS**  trans-65.1116.9174.4-178.4-179.2-179.900110.7
357I32.5Very low31Very low160 Ų160157.1 Ų157.182%0.82183%0.833SS**  trans-138.6100.2164.244.1168000111.5G355G355-I357 PolarHBondContact O-N 2.76Å
358V31.2Very low31.1Very low127 Ų127153.8 Ų153.877%0.7783%0.828SS**  trans36.7109.6144-179.70000117.5S360V358-S360 PolarHBondContact O-N 2.95Å
359D28.2Very low31.3Very low150 Ų150156.3 Ų156.380%0.80284%0.835SS**  trans-59.6118.2157.8-167.318.2000110.1
360S28.3Very low31.5Very low97 Ų97157.8 Ų157.868%0.67883%0.832SS**  trans-107.487.3175-171.50000108.7V358 D362V358-S360 PolarHBondContact O-N 2.95Å; S360-D362 PolarHBondContact O-N 3.09Å
361S33.7Very low31.5Very low89 Ų89156.3 Ų156.362%0.62283%0.831SS**  trans-53.6123.8164-54.60000109.8
362D33.5Very low31.6Very low155 Ų155154.5 Ų154.583%0.82982%0.822SS**  trans-113.2122.9162-100.6-24.7000107.8S360S360-D362 PolarHBondContact O-N 3.09Å
363E36.3Very low31.7Very low180 Ų180151 Ų15184%0.84182%0.817SS**  trans-70.8130.9-179-55.2-95.6130.900110.2
364E39Very low31.6Very low195 Ų195148.2 Ų148.291%0.91181%0.808SS**  trans-104.9110.2161.3-75.4-164166.400109.1E366E364-E366 PolarHBondContact O-N 2.81Å
365E32.6Very low31.6Very low176 Ų176150.7 Ų150.782%0.82281%0.809SS**  trans-66.4117.6175.2-68.9-170.2155.900111.8T367E365-T367 PolarHBondContact O-N 3.16Å; E365-T367 VanDerWaalsContact O-N 3.11Å
366E30.3Very low31.6Very low195 Ų195152.3 Ų152.391%0.91180%0.8SS**  trans-73.895.5164-82.6-153.7145.300110.9E364 G368E364-E366 PolarHBondContact O-N 2.81Å; E366-G368 PolarHBondContact O-N 3.12Å
367T31.9Very low31.6Very low126 Ų126152.5 Ų152.577%0.77379%0.794SS**  trans-85.284.2159.348.60000110E365 S369E365-T367 PolarHBondContact O-N 3.16Å; E365-T367 VanDerWaalsContact O-N 3.11Å; T367-S369 PolarHBondContact O-N 3.49Å
368G27.8Very low31.9Very low78 Ų78151.8 Ų151.880%0.80479%0.791SS**  trans-64.3119.9174.200000111.9E366E366-G368 PolarHBondContact O-N 3.12Å
369S30.7Very low32.8Very low121 Ų121149.9 Ų149.985%0.84678%0.782SS**  trans-113.9111.2163.5-164.80000109.1T367T367-S369 PolarHBondContact O-N 3.49Å
370R32.5Very low32.9Very low225 Ų225149.6 Ų149.685%0.84978%0.78SS**  trans-105104.6-175.2169.4-178.4163.8-174.4-6.1107.6
371D30.2Very low33Very low164 Ų164152.2 Ų152.288%0.87779%0.786SS**  trans-126.6129.5168.1-121.6-24.8000110.7
372Q31Very low32.8Very low157 Ų157151.7 Ų151.773%0.73479%0.788SS**  trans-136.6113-168.8174.1177.21200108.7
373C28.2Very low32.7Very low116 Ų116149.5 Ų149.578%0.78478%0.784SS**  trans-158.7143.5159.4-1140000116.9
374L31.3Very low32.5Very low138 Ų138146.6 Ų146.672%0.72378%0.779SS**  trans70.184.2151.5-56.8175.4000119.7
375R31.7Very low32Very low251 Ų251142.7 Ų142.795%0.94777%0.772SS**  trans-88.2134.1137.5178.1-167.1-93.2-162.6-5.3107.7
376N31.3Very low31.9Very low106 Ų106145 Ų14557%0.56777%0.773SS**  trans-123.5127.6-179.9-91.7-9.9000112.5
377Y32.5Very low31.9Very low197 Ų197142.8 Ų142.877%0.77376%0.763SS**  trans65.3139.7141.7-71.4-48.2000120.4
378L38Very low31.8Very low144 Ų144142.3 Ų142.375%0.75477%0.765SS**  cis-160.1-178.24.2-93.1162.7000107.5
379P49.2Very low32.1Very low88 Ų88143.4 Ų143.457%0.57177%0.766SS**  -140.8-171-52.342.7-24.6000115.6
380D30.2Very low32Very low144 Ų144146.5 Ų146.577%0.7777%0.767SS**  trans70.7142.4158.6-51.8-27.8000119
381D30.8Very low31.8Very low151 Ų151142.2 Ų142.281%0.80777%0.766SS**  cis-153.216023.3-142.8-22.9000115.5
382A30.1Very low31.7Very low78 Ų78140 Ų14065%0.64576%0.759SS**  trans46.7112.8153.100000124.8
383S31.3Very low31.6Very low109 Ų109138.4 Ų138.476%0.76276%0.759SS**  132.7144105.276.20000119.7
384T31Very low31.7Very low119 Ų119139.7 Ų139.773%0.7376%0.764SS**  trans86.980.7149.6-41.40000120.9
385C28.8Very low31.8Very low114 Ų114141.3 Ų141.377%0.7777%0.767SS**  62.2143.5120.4-590000124.3
386R30.9Very low31.7Very low223 Ų223137.6 Ų137.684%0.84276%0.761SS**  trans77145.4150.6-80.7-176.8151.4144.1-2.3118.7
387E29.6Very low31.8Very low150 Ų150139.7 Ų139.770%0.70177%0.772SS**  cis-152.9162-14.7-160.6159.1105.500109.8
388S31.7Very low32.5Very low115 Ų115135.6 Ų135.680%0.80477%0.769SS**  trans-50.4149.7-174.6-41.30000118.3
389A32.9Very low32.3Very low101 Ų101134.5 Ų134.584%0.83577%0.769SS**  trans-162.4122.2131.300000111.3
390E29.1Very low31.5Very low186 Ų186135.9 Ų135.987%0.86977%0.771SS**  trans-83.3162.7165.2-63167.9111.600110.3
391V27Very low31.6Very low136 Ų136136.5 Ų136.582%0.82477%0.769SS**  168.7126120.6156.80000112.2
392T28.6Very low31.9Very low117 Ų117135.2 Ų135.272%0.71877%0.767SS**  trans-17.3132.2168.856.90000122.8
393V29Very low32.1Very low124 Ų124138.6 Ų138.675%0.75277%0.77SS**  32125.5110.5-176.40000119.1
394T29.8Very low32Very low142 Ų142138.6 Ų138.687%0.87177%0.768SS**  -164.8161.3118.926.80000112
395E34.1Very low32.3Very low172 Ų172137.2 Ų137.280%0.80476%0.76SS**  trans-83.8-161.6-173.1-61.8177.993.600114.5
396E30.5Very low32.6Very low173 Ų173139 Ų13981%0.80876%0.761SS**  trans107.9109.5154.4-49.9-63.9172.900117.4
397N32.5Very low32.8Very low151 Ų151133.2 Ų133.281%0.80775%0.75SS**  trans-67.1166.2156.9-101.5-41.9000109.7
398P48.4Very low33.2Very low110 Ų110133.1 Ų133.171%0.71475%0.75SS**  cis-158173.95042.2-19.3000119.9
399V32.2Very low33.3Very low122 Ų122134 Ų13474%0.73974%0.741SS**  trans21.6125.2132.8-169.60000117.2
400N32.4Very low33.4Very low116 Ų116135.1 Ų135.162%0.6273%0.731SS**  -175.8175.371.9-148.86.5000114
401E32.6Very low33.6Very low157 Ų157133 Ų13373%0.73472%0.722SS**  trans25.4148.8144.9-74.4159.5-148.700121
402T36.3Very low34Very low125 Ų125133.6 Ų133.677%0.76772%0.719SS**  cis-162.7178.811.45.50000107.2
403E34.4Very low34.1Very low149 Ų149131.7 Ų131.770%0.69672%0.723SS**  cis-137.4175.21.2-116.7-158.8113.800106.8
404C30.3Very low34.4Very low108 Ų108133.1 Ų133.173%0.7373%0.727SS**  63.2141.661.2-133.90000113.2
405V36.9Very low34.5Very low91 Ų91133.4 Ų133.455%0.55272%0.723SS**  -171.2146.354.1174.20000111.8
406L35.7Very low34.6Very low150 Ų150130 Ų13079%0.78572%0.718SS**  trans61.2140.8157.5-68.9161.5000120.3
407T34.7Very low34.8Very low102 Ų102126.9 Ų126.963%0.62672%0.721SS**  cis-163.4145.8-12.15.50000113.4
408H37.5Very low35.1Very low149 Ų149124.2 Ų124.269%0.6972%0.721SS**  23155.7121-64.3-111.2000121
409H34.8Very low34.5Very low133 Ų133123.4 Ų123.462%0.61672%0.723SS**  cis-158150.6-3.3-115.6-13.2000106.2
410I33.9Very low35Very low124 Ų124123.8 Ų123.864%0.63673%0.731SS**  54.6128.778.5-83.3174.2000111.3
411Q34.8Very low35.3Very low143 Ų143126 Ų12667%0.66874%0.743SS**  cis-156.715832.6-163.157.9-2900114.3
412L34.5Very low35.9Very low147 Ų147124.1 Ų124.177%0.7775%0.747SS**  trans-6.4148.4158.3-51.9165.3000121.2
413G30.4Very low35.9Very low78 Ų78123.3 Ų123.380%0.80475%0.746SS**  trans-164.1113152.600000111.7
414N35.8Very low36.4Very low154 Ų154125.6 Ų125.682%0.82476%0.756SS**  trans-77.7152.3169.3-70.3-17.8000110
415D32.8Very low37.3Very low148 Ų148129.2 Ų129.279%0.79177%0.765SS**  -171.8122.8126.2-104.7-38.3000115.7
416S34.8Very low37.8Very low101 Ų101137.9 Ų137.971%0.70680%0.799SS**  45.3109.5119.9-49.10000123.4
417A35.7Very low37.9Very low106 Ų106137.3 Ų137.388%0.87680%0.8SS**  60.7118.9126.700000124.3
418A38Very low38.1Very low96 Ų96139.2 Ų139.279%0.79381%0.809SS**  trans177.4125.3134.300000107.9
419A36.8Very low38.1Very low93 Ų93138.6 Ų138.677%0.76982%0.816SS**  66.9101.652.400000114.8
420S41.9Very low38.3Very low129 Ų129138.9 Ų138.990%0.90283%0.828SS**  trans179.5137.2132.2-77.50000113.3
421D39Very low38.6Very low163 Ų163139.9 Ų139.987%0.87284%0.84SS**  trans-65.2153.3166.6-94.5-58.7000113.4
422S44.4Very low38.8Very low117 Ų117139.7 Ų139.782%0.81885%0.851SS**  -162.2132.4125.2-169.90000112.2
423C38Very low39.1Very low109 Ų109139.1 Ų139.174%0.73686%0.857SS**  trans-64.4153161.7-67.30000111.4
424Q44.7Very low39.8Very low197 Ų197143.8 Ų143.892%0.92186%0.861SS**  -162.8156.1117.9-109.3173.52.800112
425M47.3Very low40.1Very low184 Ų184143 Ų14391%0.90686%0.864SS**  trans-89.5144.6178.8-50.1171.6-167.600110.3
426E48.1Very low40.8Very low273 Ų273142.5 Ų142.5100%1.27687%0.87SS**  -162.30116.1-103.1-174.5147.800110.2

Retrieved 426 of 426 residues in 454.4 ms (Link to these results)