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Inward rectifier potassium channel 13

Inward rectifier potassium channels are characterized by a greater tendency to allow potassium to flow into the cell rather than out of it. Their voltage dependence is regulated by the concentration of extracellular potassium; as external potassium is raised, the voltage range of the channel opening shifts to more positive voltages. The inward rectification is mainly due to the blockage of outward current by internal magnesium. KCNJ13 has a very low single channel conductance, low sensitivity to block by external barium and cesium, and no dependence of its inward rectification properties on the internal blocking particle magnesium.

AlphaFold DB , UniProt , Accession A0A096MY73, Species PAPAN (Papio anubis, Olive baboon), Gene KCNJ13, Length 360 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
1M36.3Very low34.4Very low231 Ų231139.9 Ų139.9100%1.13881%0.805SS**  0103.90-70.6166.6159.600104.9
2D31.7Very low35Very low151 Ų151141.8 Ų141.881%0.80781%0.809SS**  cis-153.8150.726.9-79.7-33.2000113.4
3S31.2Very low35.6Very low97 Ų97143.8 Ų143.868%0.67882%0.815SS**  trans-7.4116.9163.8560000119.4N5S3-N5 PolarHBondContact O-N 3.3Å
4S33.8Very low36.3Very low118 Ų118141.1 Ų141.183%0.82581%0.809SS**  trans-63109.3150.349.50000110.2C6S4-C6 PolarHBondContact O-N 3.12Å; S4-C6 VanDerWaalsContact O-N 3.12Å
5N31.5Very low37.3Very low154 Ų154141.3 Ų141.382%0.82480%0.8SS**  trans-73.5100178.9-116.8-18.1000110.6S3 K7S3-N5 PolarHBondContact O-N 3.3Å; N5-K7 PolarHBondContact O-N 3.18Å
6C32.8Very low38.4Very low113 Ų113147.2 Ų147.276%0.76481%0.806SS**  trans-72.2100.2167.7-1660000108.4S4 V8S4-C6 PolarHBondContact O-N 3.12Å; S4-C6 VanDerWaalsContact O-N 3.12Å; C6-V8 PolarHBondContact O-N 3.1Å
7K32.2Very low40.2Very low194 Ų194144.2 Ų144.284%0.84378%0.781SS**  trans-7099.8167.9-89.5-178.9176.6177.30108.3N5 I9N5-K7 PolarHBondContact O-N 3.18Å; K7-I9 PolarHBondContact O-N 3.03Å; K7-I9 VanDerWaalsContact O-N 3.1Å
8V34.8Very low42.1Very low129 Ų129144.8 Ų144.878%0.78278%0.778SS**  trans-58.8108.6164.1178.50000107.4C6 A10C6-V8 PolarHBondContact O-N 3.1Å; V8-A10 PolarHBondContact O-N 3.2Å
9I35.9Very low44.5Very low156 Ų156139.6 Ų139.680%0.875%0.746SS**  trans-71.3108.2169.3-62.8173.2000105.6K7K7-I9 PolarHBondContact O-N 3.03Å; K7-I9 VanDerWaalsContact O-N 3.1Å
10A36Very low46.7Very low71 Ų71133.8 Ų133.859%0.58771%0.714SS**PPolyproline II helixtrans-55.1144.3171.300000109.8V8 L12V8-A10 PolarHBondContact O-N 3.2Å; A10-L12 PolarHBondContact O-N 3.2Å
11P41.9Very low48.9Very low125 Ų125128.2 Ų128.281%0.81269%0.685SS**PPolyproline II helixtrans-60.812717826.5-31.6000108.4L13P11-L13 PolarHBondContact O-N 3.16Å; P11-L13 VanDerWaalsContact O-N 3.16Å
12L41.7Very low51.5Low162 Ų162119.3 Ų119.385%0.84864%0.643SS**PPolyproline II helixtrans-48.8122.2171.6-73.7159.3000108.2A10 S14A10-L12 PolarHBondContact O-N 3.2Å; L12-S14 PolarHBondContact O-N 3.07Å; L12-S14 VanDerWaalsContact O-N 3.07Å
13L43Very low54.2Low169 Ų169114.4 Ų114.489%0.88562%0.615SS**  trans-41.3118.1170.4-77.8156.1000108.7P11 Q15P11-L13 PolarHBondContact O-N 3.16Å; P11-L13 VanDerWaalsContact O-N 3.16Å; L13-Q15 PolarHBondContact O-N 2.88Å
14S45Very low56.9Low105 Ų105114.2 Ų114.273%0.73461%0.607SS**  trans-48.3116.5173.359.10000108L12 R16L12-S14 PolarHBondContact O-N 3.07Å; L12-S14 VanDerWaalsContact O-N 3.07Å; S14-R16 PolarHBondContact O-N 3Å
15Q51.1Low59.3Low145 Ų145108.9 Ų108.968%0.67857%0.57SS**  trans-55.5108.4177.2-170167.4-7.100107.4L13 Y17L13-Q15 PolarHBondContact O-N 2.88Å; Q15-Y17 VanDerWaalsContact C-N 3.3Å; Q15-Y17 HydrophobicContact CB-CE2 4.22Å; Q15-Y17 HydrophobicContact CG-CE2 4.37Å; Q15-Y17 WeakPolarHBondContact O-CD2 3.47Å; Q15-Y17 PolarHBondContact O-N 3.45Å
16R55.9Low61.8Low235 Ų235107.1 Ų107.189%0.88756%0.557SS**  trans-79.786.3-172.9-162175.5-168.8173.13.1107.3S14 Q18S14-R16 PolarHBondContact O-N 3Å; R16-Q18 PolarHBondContact O-N 3.19Å
17Y68.4Low64.3Low97 Ų97105.4 Ų105.438%0.3855%0.546SS..PPolyproline II helixtrans-58.5130.1175.2-70.9-86.6000109.9Q15 E211 H264Q15-Y17 VanDerWaalsContact C-N 3.3Å; Q15-Y17 HydrophobicContact CB-CE2 4.22Å; Q15-Y17 HydrophobicContact CG-CE2 4.37Å; Q15-Y17 WeakPolarHBondContact O-CD2 3.47Å; Q15-Y17 PolarHBondContact O-N 3.45Å; Y17-E211 WeakPolarHBondContact CE1-OE2 3.49Å; Y17-H264 WeakPolarHBondContact CB-CD2 3.41Å; Y17-H264 VanDerWaalsContact CB-CE1 3.45Å; Y17-H264 WeakPolarHBondContact CB-CE1 3.21Å; Y17-H264 WeakPolarHBondContact CB-NE2 3.32Å; Y17-H264 HydrophobicContact CD1-CB 4.33Å; Y17-H264 AromaticContact CD1-CG 3.81Å; Y17-H264 AromaticContact CD1-ND1 3.71Å; Y17-H264 HydrophobicContact CD2-CB 3.86Å; Y17-H264 AromaticContact CD2-CD2 3.58Å; Y17-H264 AromaticContact CD2-CG 3.62Å; Y17-H264 HydrophobicContact CE1-CB 4.33Å; Y17-H264 HydrophobicContact CE2-CB 3.86Å; Y17-H264 HydrophobicContact CG-CB 4.11Å; Y17-H264 AromaticContact CG-CD2 3.45Å; Y17-H264 VanDerWaalsContact CG-CD2 3.45Å; Y17-H264 AromaticContact CG-CE1 3.85Å; Y17-H264 AromaticContact CG-CG 3.45Å; Y17-H264 VanDerWaalsContact CG-CG 3.45Å; Y17-H264 AromaticContact CG-ND1 3.7Å; Y17-H264 AromaticContact CG-NE2 3.72Å
18Q74.8Confident66.7Low155 Ų15598.6 Ų98.672%0.72452%0.521SS*.PPolyproline II helixtrans-86.3125.3-179.3-166.6172.51.800109R16 M20 T28R16-Q18 PolarHBondContact O-N 3.19Å; Q18-M20 PolarHBondContact O-N 3.47Å; Q18-T28 HydrophobicContact CG-CG2 4.23Å
19R88.4Confident68.7Low45 Ų4597.9 Ų97.917%0.1751%0.512CS..PPolyproline II helixtrans-56.1128.3175.6178.5-170.8-71.8-1076.1111.1V21 T28 E266 S287 L289 E292R19-V21 WeakPolarHBondContact CD-O 3.31Å; R19-V21 WeakPolarHBondContact CG-O 3.09Å; R19-T28 VanDerWaalsContact O-CB 3.23Å; R19-T28 WeakPolarHBondContact O-CB 3.45Å; R19-T28 PolarHBondContact O-OG1 3.46Å; R19-E266 VanDerWaalsContact CG-OE1 3.3Å; R19-E266 WeakPolarHBondContact CG-OE1 3.45Å; R19-S287 PolarHBondContact NH1-O 2.96Å; R19-S287 PolarHBondContact NH1-OG 2.98Å; R19-L289 VanDerWaalsContact NH2-CD1 3.34Å; R19-E292 IonicContact CZ-OE1 2.69Å; R19-E292 IonicContact CZ-OE2 2.6Å; R19-E292 IonicContact NH1-OE2 3.64Å; R19-E292 PolarHBondContact NH1-OE2 2.83Å; R19-E292 IonicContact NH2-OE1 3.55Å; R19-E292 PolarHBondContact NH2-OE1 3.39Å; R19-E292 IonicContact NH2-OE2 3.58Å; R19-E292 PolarHBondContact NH2-OE2 2.88Å
20M88.2Confident70.3Confident24 Ų2499.4 Ų99.412%0.11852%0.516CS..SBendtrans-76.7-38.7179.9-68174.6-7400112.4Q18 S27 T28 L29 Y209 L217 E266Q18-M20 PolarHBondContact O-N 3.47Å; M20-S27 CarbonylContact O-C 3.58Å; M20-S27 WeakPolarHBondContact O-CA 3.43Å; M20-T28 PolarHBondContact O-N 2.93Å; M20-T28 PolarHBondContact O-OG1 3.12Å; M20-L29 HydrophobicContact CG-CD2 4.25Å; M20-Y209 HydrophobicContact CE-CD1 4.21Å; M20-Y209 HydrophobicContact CE-CD2 4.39Å; M20-Y209 HydrophobicContact CE-CG 3.75Å; M20-Y209 HydrophobicContact SD-CD1 4.3Å; M20-Y209 HydrophobicContact SD-CG 4.41Å; M20-L217 HydrophobicContact CE-CD1 4.33Å; M20-L217 HydrophobicContact SD-CD1 4.14Å; M20-L217 HydrophobicContact SD-CD2 3.68Å; M20-E266 WeakPolarHBondContact CB-OE2 3.43Å; M20-E266 HydrophobicContact CE-CB 3.77Å; M20-E266 HydrophobicContact CE-CG 4.42Å; M20-E266 VanDerWaalsContact CE-OE2 3.32Å; M20-E266 WeakPolarHBondContact CE-OE2 3.32Å; M20-E266 PolarHBondContact N-OE2 3.28Å
21V91.4Very high71.7Confident17 Ų17103.5 Ų103.510%0.10352%0.524CS..BIsolated β-bridgetrans-125.1116.8178.8179.80000108.9R19 H26 E266 V268 S287R19-V21 WeakPolarHBondContact CD-O 3.31Å; R19-V21 WeakPolarHBondContact CG-O 3.09Å; V21-H26 CarbonylContact C-O 3.56Å; V21-H26 WeakPolarHBondContact CA-O 3.28Å; V21-E266 PolarHBondContact N-OE1 3.44Å; V21-E266 VanDerWaalsContact O-OE1 3.1Å; V21-V268 HydrophobicContact CB-CG1 4.3Å; V21-V268 HydrophobicContact CB-CG2 4.1Å; V21-V268 HydrophobicContact CG1-CG1 4.21Å; V21-V268 HydrophobicContact CG2-CG1 4.11Å; V21-V268 HydrophobicContact CG2-CG2 3.88Å; V21-S287 WeakPolarHBondContact O-CB 3.5Å; V21-S287 PolarHBondContact O-OG 3.49Å
22T90.9Very high72.3Confident43 Ų43105.5 Ų105.526%0.26453%0.528SS..  trans-57.3159.3175.958.50000112.4D24 G25 H26T22-D24 PolarHBondContact O-N 3.15Å; T22-D24 VanDerWaalsContact O-N 3.12Å; T22-G25 WeakPolarHBondContact O-CA 3.23Å; T22-G25 PolarHBondContact O-N 2.75Å; T22-G25 PolarHBondContact OG1-N 3.18Å; T22-H26 HydrophobicContact CG2-CB 4.44Å; T22-H26 PolarHBondContact N-O 3.08Å; T22-H26 WeakPolarHBondContact OG1-CA 3.32Å; T22-H26 VanDerWaalsContact OG1-CB 3.31Å; T22-H26 WeakPolarHBondContact OG1-CB 3.12Å; T22-H26 PolarHBondContact OG1-N 2.86Å; T22-H26 PolarHBondContact OG1-O 3.35Å
23K90.3Very high73Confident49 Ų49100.9 Ų100.921%0.21352%0.52CS..THydrogen-bonded Turntrans-54-30.5172.2-78.7-68.3-172.4-168.90113.2G25 D174 T286 S287 Y288 E292K23-G25 VanDerWaalsContact C-N 3.26Å; K23-G25 PolarHBondContact O-N 2.84Å; K23-D174 VanDerWaalsContact CE-O 3.26Å; K23-D174 WeakPolarHBondContact CE-O 3.32Å; K23-D174 PolarHBondContact NZ-O 3.09Å; K23-T286 PolarHBondContact O-OG1 3.36Å; K23-S287 WeakPolarHBondContact CD-O 3.41Å; K23-S287 VanDerWaalsContact CE-O 3.29Å; K23-S287 WeakPolarHBondContact CE-O 2.96Å; K23-S287 PolarHBondContact NZ-O 2.93Å; K23-Y288 VanDerWaalsContact NZ-CD1 3.31Å; K23-E292 WeakPolarHBondContact CE-OE1 3.39Å; K23-E292 WeakPolarHBondContact CE-OE2 3.25Å; K23-E292 VanDerWaalsContact NZ-CD 3.29Å; K23-E292 IonicContact NZ-OE1 3.94Å; K23-E292 IonicContact NZ-OE2 3.34Å; K23-E292 PolarHBondContact NZ-OE2 3.39Å
24D86Confident73.6Confident93 Ų9395.4 Ų95.450%0.49750%0.499SS..THydrogen-bonded Turntrans-81-0.8175.4-71.5-54.6000114.6T22 R284T22-D24 PolarHBondContact O-N 3.15Å; T22-D24 VanDerWaalsContact O-N 3.12Å; D24-R284 PolarHBondContact O-NH1 2.93Å; D24-R284 IonicContact OD1-NH2 2.69Å; D24-R284 PolarHBondContact OD1-NH2 2.75Å
25G84.4Confident73.9Confident6 Ų699.7 Ų99.76%0.06251%0.508CS..SBendtrans85.59.9175.700000115.3T22 K23 R285T22-G25 WeakPolarHBondContact O-CA 3.23Å; T22-G25 PolarHBondContact O-N 2.75Å; T22-G25 PolarHBondContact OG1-N 3.18Å; K23-G25 VanDerWaalsContact C-N 3.26Å; K23-G25 PolarHBondContact O-N 2.84Å; G25-R285 VanDerWaalsContact CA-O 3.28Å; G25-R285 WeakPolarHBondContact CA-O 3.24Å; G25-R285 PolarHBondContact N-O 2.83Å
26H85.8Confident74.1Confident116 Ų116103.2 Ų103.254%0.53752%0.515SS..  trans-78.7135.9170.7-64.2-75.1000111.1V21 T22V21-H26 CarbonylContact C-O 3.56Å; V21-H26 WeakPolarHBondContact CA-O 3.28Å; T22-H26 HydrophobicContact CG2-CB 4.44Å; T22-H26 PolarHBondContact N-O 3.08Å; T22-H26 WeakPolarHBondContact OG1-CA 3.32Å; T22-H26 VanDerWaalsContact OG1-CB 3.31Å; T22-H26 WeakPolarHBondContact OG1-CB 3.12Å; T22-H26 PolarHBondContact OG1-N 2.86Å; T22-H26 PolarHBondContact OG1-O 3.35Å
27S85.3Confident74.4Confident78 Ų7894.1 Ų94.155%0.54549%0.494SS..BIsolated β-bridgetrans-78.5131.8173.4-177.40000110.8M20 L29M20-S27 CarbonylContact O-C 3.58Å; M20-S27 WeakPolarHBondContact O-CA 3.43Å; S27-L29 PolarHBondContact OG-N 2.95Å
28T81.6Confident73.9Confident50 Ų5096.6 Ų96.631%0.30751%0.513SS..  trans-88.2-9.1174.5-43.20000111.8Q18 R19 M20 Q30Q18-T28 HydrophobicContact CG-CG2 4.23Å; R19-T28 VanDerWaalsContact O-CB 3.23Å; R19-T28 WeakPolarHBondContact O-CB 3.45Å; R19-T28 PolarHBondContact O-OG1 3.46Å; M20-T28 PolarHBondContact O-N 2.93Å; M20-T28 PolarHBondContact O-OG1 3.12Å; T28-Q30 PolarHBondContact O-N 3.22Å
29L77.6Confident73.4Confident114 Ų11493.1 Ų93.160%0.59751%0.51SS*.  trans-68.4118.1-178.2-65.2170.6000110.5M20 S27M20-L29 HydrophobicContact CG-CD2 4.25Å; S27-L29 PolarHBondContact OG-N 2.95Å
30Q68.3Low72.2Confident188 Ų18897.7 Ų97.788%0.87953%0.529SS*.  trans-94.6121.8170-65.6-1753.600108.7T28 D32T28-Q30 PolarHBondContact O-N 3.22Å; Q30-D32 PolarHBondContact O-N 3.23Å
31M65.6Low70.9Confident157 Ų157102.1 Ų102.177%0.77355%0.552SS**  trans-81.8102.7169.3-62-170.779.100108.3
32D53.8Low70.1Confident167 Ų167112.3 Ų112.389%0.89359%0.589SS**THydrogen-bonded Turntrans-78.6141.9171.5-161.77.7000110.1Q30 A34Q30-D32 PolarHBondContact O-N 3.23Å; D32-A34 PolarHBondContact O-N 2.85Å
33G57.4Low69.6Low65 Ų65114.6 Ų114.667%0.6760%0.6SS**THydrogen-bonded Turntrans79.62177.700000117.4Q35G33-Q35 PolarHBondContact O-N 3.16Å
34A56Low69.2Low55 Ų55115.3 Ų115.346%0.45561%0.614SS.*  trans-66.1109.5166.900000108.3D32 R36D32-A34 PolarHBondContact O-N 2.85Å; A34-R36 VanDerWaalsContact C-N 3.27Å; A34-R36 PolarHBondContact O-N 3.25Å
35Q51.2Low69.2Low195 Ų195116.3 Ų116.391%0.91161%0.611SS**  trans-59.790.4175.5-79.8-174.4-2500109.7G33 G37G33-Q35 PolarHBondContact O-N 3.16Å; Q35-G37 PolarHBondContact O-N 2.9Å
36R54.6Low69.2Low219 Ų219116.5 Ų116.583%0.82661%0.613SS**  trans-74.149.6172.2-69.1177.1176.2175.5-0110.4A34A34-R36 VanDerWaalsContact C-N 3.27Å; A34-R36 PolarHBondContact O-N 3.25Å
37G63.2Low69.3Low43 Ų43112.6 Ų112.644%0.44360%0.596SS.*SBendtrans-77.6-162.3179.800000112.8Q35 A39 Y40Q35-G37 PolarHBondContact O-N 2.9Å; G37-A39 PolarHBondContact O-N 3.46Å; G37-Y40 PolarHBondContact O-N 3.28Å
38L58.4Low69.5Low150 Ų150109.7 Ų109.779%0.78557%0.574SS**THydrogen-bonded Turntrans-50.9-20.5177-85.4118.5000114.8Y40 L41 R42L38-Y40 PolarHBondContact O-N 3.42Å; L38-L41 WeakPolarHBondContact O-CB 3.34Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.12Å; L38-R42 PolarHBondContact O-N 3.26Å
39A63Low69.7Low81 Ų81107.3 Ų107.367%0.66956%0.56SS**THydrogen-bonded Turntrans-60.4-28.9174.600000113.3G37 R42G37-A39 PolarHBondContact O-N 3.46Å; A39-R42 VanDerWaalsContact O-CB 3.25Å; A39-R42 WeakPolarHBondContact O-CB 3.46Å; A39-R42 PolarHBondContact O-N 3.23Å
40Y62.5Low70Confident142 Ų142106.6 Ų106.656%0.55756%0.556SS**THydrogen-bonded Turntrans-68.1-39174.6-171.5-112.5000111.4G37 L38 R42 D43 I47G37-Y40 PolarHBondContact O-N 3.28Å; L38-Y40 PolarHBondContact O-N 3.42Å; Y40-R42 PolarHBondContact O-N 2.87Å; Y40-D43 PolarHBondContact O-N 3.21Å; Y40-I47 HydrophobicContact CD1-CD1 3.45Å; Y40-I47 VanDerWaalsContact CD1-CD1 3.45Å; Y40-I47 HydrophobicContact CD1-CG1 4.17Å; Y40-I47 HydrophobicContact CE1-CD1 3.32Å; Y40-I47 HydrophobicContact CE1-CG1 3.57Å; Y40-I47 HydrophobicContact CE2-CD1 4.41Å; Y40-I47 HydrophobicContact CE2-CG1 4.18Å; Y40-I47 HydrophobicContact CG-CD1 4.08Å; Y40-I47 VanDerWaalsContact O-CD1 3.27Å; Y40-I47 WeakPolarHBondContact O-CD1 3.4Å
41L62.8Low70.9Confident117 Ų117100.2 Ų100.261%0.61353%0.527SS*.G310 helixtrans-67.1-19.5175.6-62.8175.6000112.9L38 D43 A44L38-L41 WeakPolarHBondContact O-CB 3.34Å; L38-L41 PolarHBondContact O-N 2.82Å; L38-L41 VanDerWaalsContact O-N 3.12Å; L41-D43 PolarHBondContact O-N 2.83Å; L41-A44 PolarHBondContact O-N 2.97Å
42R72.8Confident72.1Confident231 Ų231102 Ų10287%0.87253%0.525SS*.G310 helixtrans-64.3-23.3172.2-154.6-179.890.7163.95.9112.1L38 A39 Y40L38-R42 PolarHBondContact O-N 3.26Å; A39-R42 VanDerWaalsContact O-CB 3.25Å; A39-R42 WeakPolarHBondContact O-CB 3.46Å; A39-R42 PolarHBondContact O-N 3.23Å; Y40-R42 PolarHBondContact O-N 2.87Å
43D81.4Confident73.8Confident91 Ų9199 Ų9949%0.48750%0.502SS..G310 helixtrans-103.550.2172.3-170.820.8000111.9Y40 L41 W45 G46 I47Y40-D43 PolarHBondContact O-N 3.21Å; L41-D43 PolarHBondContact O-N 2.83Å; D43-W45 PolarHBondContact O-N 2.96Å; D43-G46 PolarHBondContact O-N 2.82Å; D43-G46 WeakPolarHBondContact OD1-CA 3.41Å; D43-G46 PolarHBondContact OD1-N 3.23Å; D43-I47 VanDerWaalsContact O-CG1 3.3Å; D43-I47 WeakPolarHBondContact O-CG1 3.34Å; D43-I47 PolarHBondContact O-N 3.1Å
44A82.3Confident75.5Confident63 Ų63106.3 Ų106.352%0.52151%0.509SS..Hα-helixtrans-55.8-34176.700000112.5L41 L48L41-A44 PolarHBondContact O-N 2.97Å; A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 2.9Å
45W85.9Confident77.3Confident114 Ų114110.9 Ų110.943%0.43252%0.515SS..Hα-helixtrans-67.1-47.6176.9179.7-108.6000112.5D43 I47 L48 M49 F151 A155 A158D43-W45 PolarHBondContact O-N 2.96Å; W45-I47 VanDerWaalsContact C-N 3.32Å; W45-I47 PolarHBondContact O-N 2.69Å; W45-L48 HydrophobicContact CE3-CD2 4.31Å; W45-L48 HydrophobicContact CZ3-CD2 4.33Å; W45-L48 PolarHBondContact O-N 2.84Å; W45-M49 HydrophobicContact CD2-CG 4.23Å; W45-M49 HydrophobicContact CH2-CE 3.9Å; W45-M49 HydrophobicContact CH2-SD 4.34Å; W45-M49 HydrophobicContact CZ2-CE 4.16Å; W45-M49 HydrophobicContact CZ2-CG 4.07Å; W45-M49 HydrophobicContact CZ2-SD 4.03Å; W45-M49 HydrophobicContact CZ3-CE 4.08Å; W45-M49 WeakPolarHBondContact O-CG 3.32Å; W45-M49 PolarHBondContact O-N 2.93Å; W45-F151 HydrophobicContact CE3-CE2 4.22Å; W45-F151 HydrophobicContact CE3-CZ 4.31Å; W45-F151 AromaticContact CZ3-CE2 3.96Å; W45-F151 HydrophobicContact CZ3-CE2 3.96Å; W45-F151 HydrophobicContact CZ3-CZ 4.17Å; W45-A155 HydrophobicContact CH2-CB 4.1Å; W45-A155 HydrophobicContact CZ3-CB 3.95Å; W45-A158 HydrophobicContact CH2-CB 4.26Å; W45-A158 HydrophobicContact CZ2-CB 4.08Å
46G84.8Confident79.2Confident10 Ų10101.6 Ų101.610%0.10347%0.471CS..Hα-helixtrans-58.1-45.4174.900000111.8D43 L48 M49 D50D43-G46 PolarHBondContact O-N 2.82Å; D43-G46 WeakPolarHBondContact OD1-CA 3.41Å; D43-G46 PolarHBondContact OD1-N 3.23Å; G46-L48 PolarHBondContact O-N 2.85Å; G46-M49 PolarHBondContact O-N 2.84Å; G46-D50 WeakPolarHBondContact O-CB 3.3Å; G46-D50 PolarHBondContact O-N 2.95Å
47I86.4Confident81.1Confident35 Ų3595.5 Ų95.518%0.17945%0.453CS..Hα-helixtrans-57.9-49.7175.9-63.7167.2000111Y40 D43 W45 M49 D50 M51Y40-I47 HydrophobicContact CD1-CD1 3.45Å; Y40-I47 VanDerWaalsContact CD1-CD1 3.45Å; Y40-I47 HydrophobicContact CD1-CG1 4.17Å; Y40-I47 HydrophobicContact CE1-CD1 3.32Å; Y40-I47 HydrophobicContact CE1-CG1 3.57Å; Y40-I47 HydrophobicContact CE2-CD1 4.41Å; Y40-I47 HydrophobicContact CE2-CG1 4.18Å; Y40-I47 HydrophobicContact CG-CD1 4.08Å; Y40-I47 VanDerWaalsContact O-CD1 3.27Å; Y40-I47 WeakPolarHBondContact O-CD1 3.4Å; D43-I47 VanDerWaalsContact O-CG1 3.3Å; D43-I47 WeakPolarHBondContact O-CG1 3.34Å; D43-I47 PolarHBondContact O-N 3.1Å; W45-I47 VanDerWaalsContact C-N 3.32Å; W45-I47 PolarHBondContact O-N 2.69Å; I47-M49 VanDerWaalsContact C-N 3.28Å; I47-M49 PolarHBondContact O-N 3.45Å; I47-D50 PolarHBondContact O-N 3.29Å; I47-M51 HydrophobicContact CG2-CE 4.42Å; I47-M51 HydrophobicContact CG2-CG 4.42Å; I47-M51 WeakPolarHBondContact O-CG 3.37Å; I47-M51 PolarHBondContact O-N 3.16Å
48L88.9Confident82.6Confident16 Ų1698.2 Ų98.28%0.08446%0.457CS..Hα-helixtrans-57.6-42.5178.7-175.165.8000112.1A44 W45 G46 M51 M56 F60 F151 A155 K159A44-L48 WeakPolarHBondContact O-CB 3.45Å; A44-L48 PolarHBondContact O-N 2.9Å; W45-L48 HydrophobicContact CE3-CD2 4.31Å; W45-L48 HydrophobicContact CZ3-CD2 4.33Å; W45-L48 PolarHBondContact O-N 2.84Å; G46-L48 PolarHBondContact O-N 2.85Å; L48-M51 HydrophobicContact CB-CE 4.35Å; L48-M51 HydrophobicContact CD1-CE 3.68Å; L48-M56 HydrophobicContact CD1-CG 4.2Å; L48-M56 HydrophobicContact CG-CE 4.43Å; L48-F60 HydrophobicContact CD1-CE1 3.95Å; L48-F60 HydrophobicContact CD1-CZ 4.27Å; L48-F60 HydrophobicContact CD2-CE1 4.24Å; L48-F60 HydrophobicContact CD2-CZ 4.38Å; L48-F151 HydrophobicContact CD2-CE1 3.92Å; L48-F151 HydrophobicContact CD2-CZ 3.78Å; L48-A155 HydrophobicContact CD2-CB 4.05Å; L48-K159 PolarHBondContact O-NZ 3.21Å
49M86.9Confident84.3Confident1 Ų194 Ų941%0.00544%0.437CS..Hα-helixtrans-73.7-28179.8-69.9-61.5107.300113.7W45 G46 I47 M56 A155 A158 K159 R162W45-M49 HydrophobicContact CD2-CG 4.23Å; W45-M49 HydrophobicContact CH2-CE 3.9Å; W45-M49 HydrophobicContact CH2-SD 4.34Å; W45-M49 HydrophobicContact CZ2-CE 4.16Å; W45-M49 HydrophobicContact CZ2-CG 4.07Å; W45-M49 HydrophobicContact CZ2-SD 4.03Å; W45-M49 HydrophobicContact CZ3-CE 4.08Å; W45-M49 WeakPolarHBondContact O-CG 3.32Å; W45-M49 PolarHBondContact O-N 2.93Å; G46-M49 PolarHBondContact O-N 2.84Å; I47-M49 VanDerWaalsContact C-N 3.28Å; I47-M49 PolarHBondContact O-N 3.45Å; M49-M56 HydrophobicContact CE-CE 3.77Å; M49-A155 HydrophobicContact CE-CB 3.78Å; M49-A155 WeakPolarHBondContact CE-O 3.41Å; M49-A158 HydrophobicContact SD-CB 4.14Å; M49-K159 PolarHBondContact O-NZ 3.44Å; M49-K159 HydrophobicContact SD-CB 4.12Å; M49-R162 VanDerWaalsContact CB-NH2 3.29Å
50D84.7Confident85.8Confident99 Ų9990.7 Ų90.753%0.52941%0.408SS..Hα-helixtrans-89.9-18.3179.4-75.5-19.3000114.2G46 I47 R162 K164G46-D50 WeakPolarHBondContact O-CB 3.3Å; G46-D50 PolarHBondContact O-N 2.95Å; I47-D50 PolarHBondContact O-N 3.29Å; D50-R162 IonicContact OD1-NH1 2.78Å; D50-K164 IonicContact OD1-NZ 3.85Å; D50-K164 PolarHBondContact OD1-NZ 2.98Å
51M87.2Confident87.4Confident53 Ų5387.2 Ų87.226%0.26140%0.404SS..SBendtrans-55.7148.7173.4-84-166.5-76.100112.6I47 L48 W55 V59 K159I47-M51 HydrophobicContact CG2-CE 4.42Å; I47-M51 HydrophobicContact CG2-CG 4.42Å; I47-M51 WeakPolarHBondContact O-CG 3.37Å; I47-M51 PolarHBondContact O-N 3.16Å; L48-M51 HydrophobicContact CB-CE 4.35Å; L48-M51 HydrophobicContact CD1-CE 3.68Å; M51-W55 HydrophobicContact SD-CB 4.21Å; M51-V59 HydrophobicContact CE-CG2 4.3Å; M51-V59 HydrophobicContact SD-CG2 4.44Å; M51-K159 WeakPolarHBondContact O-CE 3.45Å; M51-K159 PolarHBondContact O-NZ 3.38Å
52R89.6Confident89Confident195 Ų19583.7 Ų83.774%0.73639%0.392SS*.  trans-66.7151.2172.3-59.4-178.2-179.1170.9-0.2109.9R54 W55 M56R52-R54 VanDerWaalsContact C-N 3.26Å; R52-R54 PolarHBondContact O-N 3.14Å; R52-R54 VanDerWaalsContact O-N 3.16Å; R52-W55 PolarHBondContact O-N 2.97Å; R52-M56 PolarHBondContact O-N 2.91Å
53W89.7Confident90.1Very high104 Ų10474.3 Ų74.339%0.39436%0.362SS..Hα-helixtrans-48.1-44.9179-80.8108.5000113.6W55 M56 M57 F156 K159 I160W53-W55 VanDerWaalsContact C-N 3.32Å; W53-W55 PolarHBondContact O-N 3.33Å; W53-M56 HydrophobicContact CE3-SD 4.37Å; W53-M56 HydrophobicContact CZ3-SD 4.21Å; W53-M56 PolarHBondContact O-N 3.47Å; W53-M57 WeakPolarHBondContact O-CG 3.2Å; W53-M57 PolarHBondContact O-N 2.82Å; W53-F156 HydrophobicContact CE3-CE2 4.4Å; W53-F156 HydrophobicContact CH2-CD2 4.25Å; W53-F156 HydrophobicContact CH2-CE2 4.09Å; W53-F156 HydrophobicContact CH2-CZ 4.42Å; W53-F156 AromaticContact CZ3-CD2 3.71Å; W53-F156 HydrophobicContact CZ3-CD2 3.71Å; W53-F156 AromaticContact CZ3-CE2 3.47Å; W53-F156 HydrophobicContact CZ3-CE2 3.47Å; W53-F156 VanDerWaalsContact CZ3-CE2 3.47Å; W53-F156 HydrophobicContact CZ3-CZ 4.16Å; W53-K159 HydrophobicContact CD2-CD 4.16Å; W53-K159 HydrophobicContact CE3-CD 4.15Å; W53-K159 HydrophobicContact CH2-CB 4.04Å; W53-K159 HydrophobicContact CH2-CD 3.77Å; W53-K159 HydrophobicContact CH2-CG 3.97Å; W53-K159 HydrophobicContact CZ2-CB 4.25Å; W53-K159 HydrophobicContact CZ2-CD 3.79Å; W53-K159 HydrophobicContact CZ2-CG 3.78Å; W53-K159 HydrophobicContact CZ3-CD 3.95Å; W53-I160 HydrophobicContact CH2-CD1 4.44Å; W53-I160 HydrophobicContact CH2-CG1 3.69Å; W53-I160 HydrophobicContact CZ2-CG1 3.97Å
54R93.1Very high90.8Very high219 Ų21972.4 Ų72.483%0.82635%0.349SS*.Hα-helixtrans-57.8-42.8179.5-62.9179.4-176.3155.11.1112.8R52 L58R52-R54 VanDerWaalsContact C-N 3.26Å; R52-R54 PolarHBondContact O-N 3.14Å; R52-R54 VanDerWaalsContact O-N 3.16Å; R54-L58 WeakPolarHBondContact O-CB 3.5Å; R54-L58 PolarHBondContact O-N 3.46Å; R54-L58 VanDerWaalsContact O-N 3.12Å
55W92.9Very high91.4Very high151 Ų15172.4 Ų72.457%0.57234%0.343SS*.Hα-helixtrans-74.3-37.9179.8-63.9120.7000112M51 R52 W53 L58 V59M51-W55 HydrophobicContact SD-CB 4.21Å; R52-W55 PolarHBondContact O-N 2.97Å; W53-W55 VanDerWaalsContact C-N 3.32Å; W53-W55 PolarHBondContact O-N 3.33Å; W55-L58 HydrophobicContact CE3-CD1 4.22Å; W55-L58 HydrophobicContact CZ3-CD1 4.15Å; W55-L58 PolarHBondContact O-N 2.86Å; W55-V59 VanDerWaalsContact O-CG2 3.31Å; W55-V59 WeakPolarHBondContact O-CG2 3.24Å; W55-V59 PolarHBondContact O-N 2.97Å
56M92.8Very high92Very high0 Ų071.1 Ų71.10%035%0.348CS..Hα-helixtrans-62.5-46174.7-174-173.7-163.800111.8L48 M49 R52 W53 L58 V59 F60 A155 K159L48-M56 HydrophobicContact CD1-CG 4.2Å; L48-M56 HydrophobicContact CG-CE 4.43Å; M49-M56 HydrophobicContact CE-CE 3.77Å; R52-M56 PolarHBondContact O-N 2.91Å; W53-M56 HydrophobicContact CE3-SD 4.37Å; W53-M56 HydrophobicContact CZ3-SD 4.21Å; W53-M56 PolarHBondContact O-N 3.47Å; M56-L58 VanDerWaalsContact C-N 3.3Å; M56-L58 PolarHBondContact O-N 3.05Å; M56-V59 PolarHBondContact O-N 3Å; M56-F60 HydrophobicContact CE-CE2 3.43Å; M56-F60 VanDerWaalsContact CE-CE2 3.43Å; M56-F60 HydrophobicContact CE-CZ 3.34Å; M56-F60 HydrophobicContact CG-CD2 4.09Å; M56-F60 HydrophobicContact CG-CE1 4.45Å; M56-F60 HydrophobicContact CG-CE2 3.65Å; M56-F60 HydrophobicContact CG-CZ 3.85Å; M56-F60 WeakPolarHBondContact O-CG 3.47Å; M56-F60 PolarHBondContact O-N 2.98Å; M56-F60 HydrophobicContact SD-CE2 4.02Å; M56-F60 HydrophobicContact SD-CZ 4.32Å; M56-A155 HydrophobicContact CE-CB 3.91Å; M56-K159 HydrophobicContact CE-CB 4.26Å; M56-K159 HydrophobicContact CE-CD 3.86Å; M56-K159 HydrophobicContact SD-CD 3.14Å; M56-K159 WeakPolarHBondContact SD-CD 3.46Å; M56-K159 HydrophobicContact SD-CG 4.45Å
57M93.2Very high92.6Very high91 Ų9171.9 Ų71.945%0.44835%0.348SS..Hα-helixtrans-60.2-42.3176.1-67.8-57.3-68.300111.1W53 F60 S61 F156W53-M57 WeakPolarHBondContact O-CG 3.2Å; W53-M57 PolarHBondContact O-N 2.82Å; M57-F60 PolarHBondContact O-N 3.16Å; M57-S61 WeakPolarHBondContact O-CB 3.41Å; M57-S61 PolarHBondContact O-N 3.14Å; M57-S61 PolarHBondContact O-OG 2.93Å; M57-S61 VanDerWaalsContact O-OG 3.08Å; M57-F156 HydrophobicContact SD-CE2 4.17Å
58L95.3Very high93.2Very high99 Ų9972 Ų7252%0.51835%0.346SS..Hα-helixtrans-61.4-46.3176-171.2158.8000111.7R54 W55 M56 F60 S61 A62R54-L58 WeakPolarHBondContact O-CB 3.5Å; R54-L58 PolarHBondContact O-N 3.46Å; R54-L58 VanDerWaalsContact O-N 3.12Å; W55-L58 HydrophobicContact CE3-CD1 4.22Å; W55-L58 HydrophobicContact CZ3-CD1 4.15Å; W55-L58 PolarHBondContact O-N 2.86Å; M56-L58 VanDerWaalsContact C-N 3.3Å; M56-L58 PolarHBondContact O-N 3.05Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 2.97Å; L58-S61 PolarHBondContact O-N 2.84Å; L58-A62 VanDerWaalsContact O-CB 3.25Å; L58-A62 WeakPolarHBondContact O-CB 3.44Å; L58-A62 PolarHBondContact O-N 3.44Å
59V93.9Very high93.6Very high62 Ų6274.7 Ų74.738%0.37636%0.361SS..Hα-helixtrans-60.3-42.8178168.70000111.2M51 W55 M56 A62 S63M51-V59 HydrophobicContact CE-CG2 4.3Å; M51-V59 HydrophobicContact SD-CG2 4.44Å; W55-V59 VanDerWaalsContact O-CG2 3.31Å; W55-V59 WeakPolarHBondContact O-CG2 3.24Å; W55-V59 PolarHBondContact O-N 2.97Å; M56-V59 PolarHBondContact O-N 3Å; V59-A62 PolarHBondContact O-N 2.72Å; V59-S63 PolarHBondContact O-N 3.48Å; V59-S63 PolarHBondContact O-OG 2.81Å
60F94.8Very high94.1Very high11 Ų1178.3 Ų78.35%0.04838%0.383CS..Hα-helixtrans-67.3-46.6177.2-67.7-19.7000112.8L48 M56 M57 L58 A62 S63 F64 I152 A155L48-F60 HydrophobicContact CD1-CE1 3.95Å; L48-F60 HydrophobicContact CD1-CZ 4.27Å; L48-F60 HydrophobicContact CD2-CE1 4.24Å; L48-F60 HydrophobicContact CD2-CZ 4.38Å; M56-F60 HydrophobicContact CE-CE2 3.43Å; M56-F60 VanDerWaalsContact CE-CE2 3.43Å; M56-F60 HydrophobicContact CE-CZ 3.34Å; M56-F60 HydrophobicContact CG-CD2 4.09Å; M56-F60 HydrophobicContact CG-CE1 4.45Å; M56-F60 HydrophobicContact CG-CE2 3.65Å; M56-F60 HydrophobicContact CG-CZ 3.85Å; M56-F60 WeakPolarHBondContact O-CG 3.47Å; M56-F60 PolarHBondContact O-N 2.98Å; M56-F60 HydrophobicContact SD-CE2 4.02Å; M56-F60 HydrophobicContact SD-CZ 4.32Å; M57-F60 PolarHBondContact O-N 3.16Å; L58-F60 VanDerWaalsContact C-N 3.33Å; L58-F60 PolarHBondContact O-N 2.97Å; F60-A62 VanDerWaalsContact C-N 3.29Å; F60-A62 PolarHBondContact O-N 2.77Å; F60-S63 WeakPolarHBondContact CA-OG 3.31Å; F60-S63 PolarHBondContact O-N 2.87Å; F60-S63 VanDerWaalsContact O-N 3.14Å; F60-S63 PolarHBondContact O-OG 2.69Å; F60-F64 VanDerWaalsContact O-CD2 3.29Å; F60-F64 WeakPolarHBondContact O-CD2 3.47Å; F60-F64 PolarHBondContact O-N 3.4Å; F60-F64 VanDerWaalsContact O-N 3.09Å; F60-I152 HydrophobicContact CB-CD1 4.2Å; F60-I152 HydrophobicContact CB-CG2 4.39Å; F60-I152 HydrophobicContact CD1-CD1 4.24Å; F60-I152 HydrophobicContact CD1-CG1 3.77Å; F60-I152 HydrophobicContact CD1-CG2 4.42Å; F60-I152 HydrophobicContact CD2-CG2 3.65Å; F60-I152 HydrophobicContact CE1-CG1 3.99Å; F60-I152 HydrophobicContact CE2-CG2 3.84Å; F60-I152 HydrophobicContact CG-CD1 4.28Å; F60-I152 HydrophobicContact CG-CG1 4.05Å; F60-I152 HydrophobicContact CG-CG2 3.94Å; F60-I152 HydrophobicContact CZ-CG1 4.44Å; F60-I152 HydrophobicContact CZ-CG2 4.32Å; F60-A155 HydrophobicContact CZ-CB 3.75Å
61S95.4Very high94.8Very high70 Ų7074 Ų7449%0.4936%0.359SS..Hα-helixtrans-58.5-43.1174.3-630000111.5M57 L58 S63 F64 V65M57-S61 WeakPolarHBondContact O-CB 3.41Å; M57-S61 PolarHBondContact O-N 3.14Å; M57-S61 PolarHBondContact O-OG 2.93Å; M57-S61 VanDerWaalsContact O-OG 3.08Å; L58-S61 PolarHBondContact O-N 2.84Å; S61-S63 PolarHBondContact O-N 2.7Å; S61-F64 PolarHBondContact O-N 2.82Å; S61-V65 WeakPolarHBondContact O-CG2 3.34Å; S61-V65 PolarHBondContact O-N 2.6Å; S61-V65 VanDerWaalsContact O-N 3.09Å
62A96.4Very high95.3Very high43 Ų4371.5 Ų71.536%0.35535%0.347SS..Hα-helixtrans-62.4-41.1175.700000111.8L58 V59 F60 F64 V65 V66L58-A62 VanDerWaalsContact O-CB 3.25Å; L58-A62 WeakPolarHBondContact O-CB 3.44Å; L58-A62 PolarHBondContact O-N 3.44Å; V59-A62 PolarHBondContact O-N 2.72Å; F60-A62 VanDerWaalsContact C-N 3.29Å; F60-A62 PolarHBondContact O-N 2.77Å; A62-F64 VanDerWaalsContact C-N 3.34Å; A62-F64 PolarHBondContact O-N 2.88Å; A62-V65 PolarHBondContact O-N 2.88Å; A62-V66 WeakPolarHBondContact O-CB 3.41Å; A62-V66 VanDerWaalsContact O-CG2 3.26Å; A62-V66 WeakPolarHBondContact O-CG2 3.18Å; A62-V66 PolarHBondContact O-N 2.78Å
63S95.9Very high95.7Very high34 Ų3465.6 Ų65.624%0.23833%0.332CS..Hα-helixtrans-62.8-38.1177.363.90000113.2V59 F60 S61 H67V59-S63 PolarHBondContact O-N 3.48Å; V59-S63 PolarHBondContact O-OG 2.81Å; F60-S63 WeakPolarHBondContact CA-OG 3.31Å; F60-S63 PolarHBondContact O-N 2.87Å; F60-S63 VanDerWaalsContact O-N 3.14Å; F60-S63 PolarHBondContact O-OG 2.69Å; S61-S63 PolarHBondContact O-N 2.7Å; S63-H67 WeakPolarHBondContact O-CB 3.44Å; S63-H67 PolarHBondContact O-N 2.97Å
64F95.9Very high96.1Very high50 Ų5064.3 Ų64.322%0.21933%0.333CS..Hα-helixtrans-64.8-47.7173.9-77.8-62000111.8F60 S61 A62 V66 H67 W68 L148 I152F60-F64 VanDerWaalsContact O-CD2 3.29Å; F60-F64 WeakPolarHBondContact O-CD2 3.47Å; F60-F64 PolarHBondContact O-N 3.4Å; F60-F64 VanDerWaalsContact O-N 3.09Å; S61-F64 PolarHBondContact O-N 2.82Å; A62-F64 VanDerWaalsContact C-N 3.34Å; A62-F64 PolarHBondContact O-N 2.88Å; F64-V66 VanDerWaalsContact C-N 3.34Å; F64-V66 PolarHBondContact O-N 2.95Å; F64-H67 PolarHBondContact O-N 3.03Å; F64-W68 HydrophobicContact CB-CH2 4.07Å; F64-W68 HydrophobicContact CB-CZ2 3.81Å; F64-W68 HydrophobicContact CD1-CZ2 4.42Å; F64-W68 HydrophobicContact CG-CZ2 4.33Å; F64-W68 VanDerWaalsContact O-CD2 3.27Å; F64-W68 PolarHBondContact O-N 2.81Å; F64-L148 HydrophobicContact CD1-CD2 4.03Å; F64-L148 HydrophobicContact CE1-CD2 4.21Å; F64-L148 HydrophobicContact CE1-CG 4.47Å; F64-I152 HydrophobicContact CD2-CD1 4.12Å; F64-I152 HydrophobicContact CE1-CD1 4.22Å; F64-I152 HydrophobicContact CE2-CD1 3.46Å; F64-I152 VanDerWaalsContact CE2-CD1 3.46Å; F64-I152 HydrophobicContact CZ-CD1 3.52Å
65V96.6Very high96.3Very high64 Ų6453.9 Ų53.939%0.38829%0.293SS..Hα-helixtrans-61.4-43.3179.1173.50000111.3S61 A62 W68 L69S61-V65 WeakPolarHBondContact O-CG2 3.34Å; S61-V65 PolarHBondContact O-N 2.6Å; S61-V65 VanDerWaalsContact O-N 3.09Å; A62-V65 PolarHBondContact O-N 2.88Å; V65-W68 HydrophobicContact CG2-CE3 4.2Å; V65-W68 HydrophobicContact CG2-CZ3 4.04Å; V65-W68 PolarHBondContact O-N 2.85Å; V65-L69 HydrophobicContact CG1-CD1 3.86Å; V65-L69 HydrophobicContact CG1-CG 4.38Å; V65-L69 WeakPolarHBondContact O-CB 3.35Å; V65-L69 VanDerWaalsContact O-CG 3.26Å; V65-L69 WeakPolarHBondContact O-CG 3.05Å; V65-L69 PolarHBondContact O-N 2.76Å
66V97.7Very high96.6Very high87 Ų8749.9 Ų49.953%0.52728%0.279SS..Hα-helixtrans-62.2-44.4176.1169.60000110.8A62 F64 L69 V70A62-V66 WeakPolarHBondContact O-CB 3.41Å; A62-V66 VanDerWaalsContact O-CG2 3.26Å; A62-V66 WeakPolarHBondContact O-CG2 3.18Å; A62-V66 PolarHBondContact O-N 2.78Å; F64-V66 VanDerWaalsContact C-N 3.34Å; F64-V66 PolarHBondContact O-N 2.95Å; V66-L69 PolarHBondContact O-N 3.46Å; V66-V70 HydrophobicContact CG1-CG2 4.31Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3Å; V66-V70 PolarHBondContact O-N 2.87Å
67H97.5Very high96.8Very high25 Ų2552.7 Ų52.712%0.11630%0.295CS..Hα-helixtrans-60.6-48.3177.3-174.989.8000111.8S63 F64 L69 V70 F71 Q117 L148S63-H67 WeakPolarHBondContact O-CB 3.44Å; S63-H67 PolarHBondContact O-N 2.97Å; F64-H67 PolarHBondContact O-N 3.03Å; H67-L69 VanDerWaalsContact C-N 3.33Å; H67-L69 PolarHBondContact O-N 3.24Å; H67-V70 PolarHBondContact O-N 2.74Å; H67-F71 AromaticContact CD2-CD2 3.95Å; H67-F71 AromaticContact CE1-CD2 3.68Å; H67-F71 AromaticContact CE1-CE2 3.28Å; H67-F71 WeakPolarHBondContact CE1-CE2 3.26Å; H67-F71 AromaticContact ND1-CE2 3.79Å; H67-F71 AromaticContact NE2-CD2 3.62Å; H67-F71 AromaticContact NE2-CE2 3.63Å; H67-F71 WeakPolarHBondContact O-CD2 3.29Å; H67-F71 PolarHBondContact O-N 2.77Å; H67-Q117 PolarHBondContact CD2-OE1 3.17Å; H67-Q117 PolarHBondContact NE2-OE1 3.28Å; H67-L148 HydrophobicContact CB-CD2 4.11Å
68W97.8Very high96.9Very high38 Ų3849.7 Ų49.714%0.14428%0.281CS..Hα-helixtrans-60.1-41.6175.8-56.5-30.7000112.1F64 V65 A72 F110 S113 L114 L118F64-W68 HydrophobicContact CB-CH2 4.07Å; F64-W68 HydrophobicContact CB-CZ2 3.81Å; F64-W68 HydrophobicContact CD1-CZ2 4.42Å; F64-W68 HydrophobicContact CG-CZ2 4.33Å; F64-W68 VanDerWaalsContact O-CD2 3.27Å; F64-W68 PolarHBondContact O-N 2.81Å; V65-W68 HydrophobicContact CG2-CE3 4.2Å; V65-W68 HydrophobicContact CG2-CZ3 4.04Å; V65-W68 PolarHBondContact O-N 2.85Å; W68-A72 WeakPolarHBondContact O-CB 3.32Å; W68-A72 PolarHBondContact O-N 2.86Å; W68-F110 HydrophobicContact CB-CD2 4.45Å; W68-F110 HydrophobicContact CB-CE2 3.83Å; W68-F110 HydrophobicContact CE3-CZ 4.44Å; W68-S113 PolarHBondContact O-OG 3.35Å; W68-L114 HydrophobicContact CD2-CD1 4.46Å; W68-L114 HydrophobicContact CD2-CG 4.39Å; W68-L114 HydrophobicContact CE3-CD1 4.08Å; W68-L114 HydrophobicContact CE3-CG 4.49Å; W68-L114 HydrophobicContact CZ3-CD1 4.19Å; W68-L118 HydrophobicContact CH2-CD1 4.4Å; W68-L118 HydrophobicContact CZ2-CD1 3.97Å; W68-L118 HydrophobicContact CZ2-CD2 4.02Å; W68-L118 HydrophobicContact CZ2-CG 4.06Å
69L98.1Very high97Very high73 Ų7345.2 Ų45.238%0.38226%0.258SS..Hα-helixtrans-66.3-42.6178-74.8170.6000112.4V65 V66 H67 A72 V73 F106 F110V65-L69 HydrophobicContact CG1-CD1 3.86Å; V65-L69 HydrophobicContact CG1-CG 4.38Å; V65-L69 WeakPolarHBondContact O-CB 3.35Å; V65-L69 VanDerWaalsContact O-CG 3.26Å; V65-L69 WeakPolarHBondContact O-CG 3.05Å; V65-L69 PolarHBondContact O-N 2.76Å; V66-L69 PolarHBondContact O-N 3.46Å; H67-L69 VanDerWaalsContact C-N 3.33Å; H67-L69 PolarHBondContact O-N 3.24Å; L69-A72 WeakPolarHBondContact O-CB 3.44Å; L69-A72 PolarHBondContact O-N 2.77Å; L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 2.84Å; L69-F106 HydrophobicContact CD2-CZ 4.31Å; L69-F110 HydrophobicContact CD2-CD2 3.86Å; L69-F110 HydrophobicContact CD2-CE2 3.87Å; L69-F110 HydrophobicContact CG-CD2 4.47Å; L69-F110 HydrophobicContact CG-CE2 4.13Å
70V98.3Very high97Very high77 Ų7747.9 Ų47.947%0.46727%0.267SS..Hα-helixtrans-60.6-47.9177.3168.10000110.1V66 H67 V73 L74V66-V70 HydrophobicContact CG1-CG2 4.31Å; V66-V70 VanDerWaalsContact O-CG2 3.29Å; V66-V70 WeakPolarHBondContact O-CG2 3Å; V66-V70 PolarHBondContact O-N 2.87Å; H67-V70 PolarHBondContact O-N 2.74Å; V70-V73 PolarHBondContact O-N 3.41Å; V70-L74 HydrophobicContact CG1-CD1 4.35Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 2.69Å
71F98.1Very high97Very high8 Ų854.9 Ų54.94%0.03530%0.301CS..Hα-helixtrans-70.5-32.6178.3-83.4-80.4000113H67 V73 L74 W75 S113 L137 I140 Q141 L144H67-F71 AromaticContact CD2-CD2 3.95Å; H67-F71 AromaticContact CE1-CD2 3.68Å; H67-F71 AromaticContact CE1-CE2 3.28Å; H67-F71 WeakPolarHBondContact CE1-CE2 3.26Å; H67-F71 AromaticContact ND1-CE2 3.79Å; H67-F71 AromaticContact NE2-CD2 3.62Å; H67-F71 AromaticContact NE2-CE2 3.63Å; H67-F71 WeakPolarHBondContact O-CD2 3.29Å; H67-F71 PolarHBondContact O-N 2.77Å; F71-V73 VanDerWaalsContact C-N 3.31Å; F71-V73 PolarHBondContact O-N 3.37Å; F71-L74 HydrophobicContact CD1-CD1 4Å; F71-L74 HydrophobicContact CE1-CD1 4.04Å; F71-L74 PolarHBondContact O-N 3.02Å; F71-W75 PolarHBondContact O-N 3.32Å; F71-S113 WeakPolarHBondContact CB-OG 3.36Å; F71-L137 HydrophobicContact CD1-CD1 3.97Å; F71-L137 HydrophobicContact CE1-CD1 3.83Å; F71-I140 HydrophobicContact CE1-CG2 4.38Å; F71-I140 HydrophobicContact CZ-CG2 4.21Å; F71-Q141 HydrophobicContact CB-CG 4.28Å; F71-Q141 HydrophobicContact CD1-CB 3.52Å; F71-Q141 HydrophobicContact CD1-CG 3.63Å; F71-Q141 HydrophobicContact CD2-CG 3.96Å; F71-Q141 VanDerWaalsContact CE1-CA 3.42Å; F71-Q141 HydrophobicContact CE1-CB 3.4Å; F71-Q141 VanDerWaalsContact CE1-CB 3.4Å; F71-Q141 HydrophobicContact CE1-CG 3.9Å; F71-Q141 HydrophobicContact CE2-CB 4.43Å; F71-Q141 HydrophobicContact CE2-CG 4.23Å; F71-Q141 HydrophobicContact CG-CB 4.1Å; F71-Q141 HydrophobicContact CG-CG 3.66Å; F71-Q141 VanDerWaalsContact CZ-CA 3.45Å; F71-Q141 HydrophobicContact CZ-CB 3.9Å; F71-Q141 HydrophobicContact CZ-CG 4.2Å; F71-L144 HydrophobicContact CE2-CD1 4.46Å; F71-L144 HydrophobicContact CZ-CD1 4.11Å
72A98.1Very high96.9Very high0 Ų054 Ų540%029%0.291CS..Hα-helixtrans-58-44.1170.900000111.8W68 L69 W75 Y76 F106 F110W68-A72 WeakPolarHBondContact O-CB 3.32Å; W68-A72 PolarHBondContact O-N 2.86Å; L69-A72 WeakPolarHBondContact O-CB 3.44Å; L69-A72 PolarHBondContact O-N 2.77Å; A72-W75 PolarHBondContact O-N 2.82Å; A72-Y76 VanDerWaalsContact O-CB 3.26Å; A72-Y76 WeakPolarHBondContact O-CB 3.04Å; A72-Y76 PolarHBondContact O-N 2.95Å; A72-F106 HydrophobicContact CB-CE2 4.06Å; A72-F106 HydrophobicContact CB-CZ 4.1Å; A72-F110 VanDerWaalsContact CB-CA 3.47Å; A72-F110 HydrophobicContact CB-CB 3.84Å; A72-F110 HydrophobicContact CB-CD2 4.01Å; A72-F110 HydrophobicContact CB-CG 4.44Å
73V98.4Very high96.7Very high71 Ų7153.9 Ų53.943%0.4329%0.294SS..Hα-helixtrans-62.2-45174.5172.50000110.5L69 V70 F71 W75 Y76 V77 F106L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 2.84Å; V70-V73 PolarHBondContact O-N 3.41Å; F71-V73 VanDerWaalsContact C-N 3.31Å; F71-V73 PolarHBondContact O-N 3.37Å; V73-W75 PolarHBondContact O-N 2.89Å; V73-Y76 PolarHBondContact O-N 3.03Å; V73-V77 HydrophobicContact CG1-CG2 4.25Å; V73-V77 WeakPolarHBondContact O-CB 3.48Å; V73-V77 VanDerWaalsContact O-CG2 3.27Å; V73-V77 WeakPolarHBondContact O-CG2 3.32Å; V73-V77 PolarHBondContact O-N 3.32Å; V73-F106 HydrophobicContact CG2-CE2 3.77Å; V73-F106 HydrophobicContact CG2-CZ 4.28Å
74L98.1Very high96.6Very high77 Ų7752.3 Ų52.340%0.40328%0.283SS..Hα-helixtrans-63-41.3178.6-66174.3000112.6V70 F71 L78 L137V70-L74 HydrophobicContact CG1-CD1 4.35Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 2.69Å; F71-L74 HydrophobicContact CD1-CD1 4Å; F71-L74 HydrophobicContact CE1-CD1 4.04Å; F71-L74 PolarHBondContact O-N 3.02Å; L74-L78 WeakPolarHBondContact O-CB 3.3Å; L74-L78 PolarHBondContact O-N 2.89Å; L74-L137 HydrophobicContact CB-CD1 3.97Å; L74-L137 HydrophobicContact CB-CD2 4.01Å; L74-L137 HydrophobicContact CD1-CD1 3.95Å
75W98Very high96.3Very high1 Ų151.5 Ų51.50%0.00428%0.281CS..Hα-helixtrans-66.4-41.6175.3-76.8118.6000112.5F71 A72 V73 L78 A79 V100 I103 A109 F112 A134 L137 L138F71-W75 PolarHBondContact O-N 3.32Å; A72-W75 PolarHBondContact O-N 2.82Å; V73-W75 PolarHBondContact O-N 2.89Å; W75-L78 HydrophobicContact CE3-CD2 3.82Å; W75-L78 HydrophobicContact CZ3-CD2 3.67Å; W75-L78 PolarHBondContact O-N 3.24Å; W75-A79 WeakPolarHBondContact O-CB 3.14Å; W75-A79 PolarHBondContact O-N 3.12Å; W75-V100 HydrophobicContact CE3-CG2 3.67Å; W75-V100 HydrophobicContact CH2-CG2 4.32Å; W75-V100 HydrophobicContact CZ3-CG2 3.39Å; W75-I103 HydrophobicContact CB-CD1 4.31Å; W75-A109 HydrophobicContact CB-CB 4.2Å; W75-F112 AromaticContact CD2-CD1 3.87Å; W75-F112 HydrophobicContact CD2-CD1 3.87Å; W75-F112 AromaticContact CD2-CE1 3.73Å; W75-F112 HydrophobicContact CD2-CE1 3.73Å; W75-F112 AromaticContact CE2-CD1 3.9Å; W75-F112 AromaticContact CE2-CE1 3.5Å; W75-F112 HydrophobicContact CE3-CD1 4.4Å; W75-F112 AromaticContact CE3-CE1 4Å; W75-F112 HydrophobicContact CE3-CE1 4Å; W75-F112 AromaticContact CG-CD1 4Å; W75-F112 HydrophobicContact CG-CD1 4Å; W75-F112 HydrophobicContact CG-CE1 4.34Å; W75-F112 AromaticContact CH2-CE1 3.87Å; W75-F112 HydrophobicContact CH2-CE1 3.87Å; W75-F112 HydrophobicContact CZ2-CD1 4.44Å; W75-F112 AromaticContact CZ2-CE1 3.61Å; W75-F112 HydrophobicContact CZ2-CE1 3.61Å; W75-F112 HydrophobicContact CZ2-CZ 4.46Å; W75-F112 HydrophobicContact CZ3-CE1 4.07Å; W75-F112 AromaticContact NE1-CD1 3.95Å; W75-F112 AromaticContact NE1-CE1 3.95Å; W75-A134 HydrophobicContact CH2-CB 4.38Å; W75-A134 VanDerWaalsContact CH2-O 3.25Å; W75-A134 WeakPolarHBondContact CH2-O 3.49Å; W75-A134 HydrophobicContact CZ3-CB 3.98Å; W75-L137 HydrophobicContact CD2-CD2 3.58Å; W75-L137 HydrophobicContact CD2-CG 4.24Å; W75-L137 HydrophobicContact CE3-CD2 3.64Å; W75-L137 HydrophobicContact CE3-CG 4.44Å; W75-L137 HydrophobicContact CG-CD2 4.13Å; W75-L137 HydrophobicContact CH2-CB 4.02Å; W75-L137 HydrophobicContact CH2-CD2 4.15Å; W75-L137 HydrophobicContact CH2-CG 4.1Å; W75-L137 HydrophobicContact CZ2-CB 4.19Å; W75-L137 HydrophobicContact CZ2-CD2 4.08Å; W75-L137 HydrophobicContact CZ2-CG 3.85Å; W75-L137 HydrophobicContact CZ3-CB 4.37Å; W75-L137 HydrophobicContact CZ3-CD2 3.92Å; W75-L137 HydrophobicContact CZ3-CG 4.37Å; W75-L138 HydrophobicContact CH2-CB 4.11Å; W75-L138 HydrophobicContact CZ2-CB 4.13Å
76Y97.5Very high95.9Very high67 Ų6757.8 Ų57.826%0.26331%0.306SS..Hα-helixtrans-63.3-47.1176.9-175.5-96.1000111.4A72 V73 L78 A79 E80 L85 F106 A109A72-Y76 VanDerWaalsContact O-CB 3.26Å; A72-Y76 WeakPolarHBondContact O-CB 3.04Å; A72-Y76 PolarHBondContact O-N 2.95Å; V73-Y76 PolarHBondContact O-N 3.03Å; Y76-L78 VanDerWaalsContact C-N 3.33Å; Y76-L78 PolarHBondContact O-N 2.96Å; Y76-A79 PolarHBondContact O-N 3.32Å; Y76-E80 WeakPolarHBondContact O-CB 3.44Å; Y76-E80 PolarHBondContact O-N 3.28Å; Y76-L85 HydrophobicContact CD2-CD2 4.3Å; Y76-L85 HydrophobicContact CE1-CD2 4.45Å; Y76-L85 HydrophobicContact CE2-CD2 3.42Å; Y76-L85 VanDerWaalsContact CE2-CD2 3.42Å; Y76-L85 HydrophobicContact CE2-CG 4.41Å; Y76-L85 WeakPolarHBondContact OH-CD2 3.12Å; Y76-F106 HydrophobicContact CD2-CB 3.98Å; Y76-F106 HydrophobicContact CD2-CD2 4.37Å; Y76-F106 HydrophobicContact CE2-CB 4.07Å; Y76-F106 HydrophobicContact CG-CD2 4.15Å; Y76-A109 HydrophobicContact CD2-CB 4.47Å
77V97.3Very high95.5Very high58 Ų5856.1 Ų56.135%0.35229%0.294SS..Hα-helixtrans-63.3-39.5176.1170.30000111.1V73 E80 M81V73-V77 HydrophobicContact CG1-CG2 4.25Å; V73-V77 WeakPolarHBondContact O-CB 3.48Å; V73-V77 VanDerWaalsContact O-CG2 3.27Å; V73-V77 WeakPolarHBondContact O-CG2 3.32Å; V73-V77 PolarHBondContact O-N 3.32Å; V77-E80 PolarHBondContact O-N 2.98Å; V77-M81 HydrophobicContact CG1-CG 4.1Å; V77-M81 HydrophobicContact CG1-SD 3.73Å; V77-M81 WeakPolarHBondContact O-CB 3.22Å; V77-M81 VanDerWaalsContact O-CG 3.24Å; V77-M81 WeakPolarHBondContact O-CG 3.36Å; V77-M81 PolarHBondContact O-N 3.01Å
78L96.8Very high95.1Very high29 Ų2959.6 Ų59.615%0.15231%0.313CS..Hα-helixtrans-60.7-46.4175.3179.767.3000111.3L74 W75 Y76 E80 M81 N82 A134 L137L74-L78 WeakPolarHBondContact O-CB 3.3Å; L74-L78 PolarHBondContact O-N 2.89Å; W75-L78 HydrophobicContact CE3-CD2 3.82Å; W75-L78 HydrophobicContact CZ3-CD2 3.67Å; W75-L78 PolarHBondContact O-N 3.24Å; Y76-L78 VanDerWaalsContact C-N 3.33Å; Y76-L78 PolarHBondContact O-N 2.96Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 3.25Å; L78-M81 PolarHBondContact O-N 3.45Å; L78-N82 WeakPolarHBondContact O-CB 3.23Å; L78-N82 PolarHBondContact O-N 3.27Å; L78-A134 HydrophobicContact CD2-CB 4.04Å; L78-L137 HydrophobicContact CB-CD2 4.46Å; L78-L137 HydrophobicContact CD2-CD2 4.07Å
79A95.6Very high94.6Very high4 Ų458.2 Ų58.23%0.03331%0.309CS..Hα-helixtrans-62.3-39.8176.400000111.4W75 Y76 N82 G83 D84 L85 I103W75-A79 WeakPolarHBondContact O-CB 3.14Å; W75-A79 PolarHBondContact O-N 3.12Å; Y76-A79 PolarHBondContact O-N 3.32Å; A79-N82 PolarHBondContact O-N 3.44Å; A79-G83 PolarHBondContact O-N 3.23Å; A79-D84 HydrophobicContact CB-CB 4.17Å; A79-D84 PolarHBondContact O-N 2.99Å; A79-L85 HydrophobicContact CB-CD1 3.72Å; A79-I103 HydrophobicContact CB-CG2 4.05Å
80E94.9Very high94.1Very high118 Ų11859.7 Ų59.755%0.55132%0.317SS*.Hα-helixtrans-68.8-43.9179.2-171.4178.4177.900112.3Y76 V77 L78 N82 G83 L85Y76-E80 WeakPolarHBondContact O-CB 3.44Å; Y76-E80 PolarHBondContact O-N 3.28Å; V77-E80 PolarHBondContact O-N 2.98Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 3.25Å; E80-N82 VanDerWaalsContact C-N 3.3Å; E80-N82 PolarHBondContact O-N 2.66Å; E80-G83 PolarHBondContact O-N 3.23Å; E80-G83 VanDerWaalsContact O-N 3.12Å; E80-L85 HydrophobicContact CB-CD1 3.7Å; E80-L85 HydrophobicContact CG-CD1 4.43Å
81M94.6Very high93.6Very high158 Ų15859.3 Ų59.378%0.77832%0.321SS*.Hα-helixtrans-65.9-33.3176.2-71.6-179.97000112.5V77 L78 G83V77-M81 HydrophobicContact CG1-CG 4.1Å; V77-M81 HydrophobicContact CG1-SD 3.73Å; V77-M81 WeakPolarHBondContact O-CB 3.22Å; V77-M81 VanDerWaalsContact O-CG 3.24Å; V77-M81 WeakPolarHBondContact O-CG 3.36Å; V77-M81 PolarHBondContact O-N 3.01Å; L78-M81 PolarHBondContact O-N 3.45Å; M81-G83 VanDerWaalsContact C-N 3.35Å
82N92.6Very high93Very high52 Ų5261.6 Ų61.628%0.27834%0.337SS..Hα-helixtrans-76.5-24.8173.8-15858.9000111.7L78 A79 E80 D84 H96 T97 C99L78-N82 WeakPolarHBondContact O-CB 3.23Å; L78-N82 PolarHBondContact O-N 3.27Å; A79-N82 PolarHBondContact O-N 3.44Å; E80-N82 VanDerWaalsContact C-N 3.3Å; E80-N82 PolarHBondContact O-N 2.66Å; N82-D84 VanDerWaalsContact ND2-CG 3.27Å; N82-D84 PolarHBondContact ND2-OD1 3.33Å; N82-D84 PolarHBondContact ND2-OD2 2.9Å; N82-D84 VanDerWaalsContact ND2-OD2 3.14Å; N82-H96 PolarHBondContact ND2-CE1 3.48Å; N82-H96 PolarHBondContact ND2-NE2 2.81Å; N82-H96 PolarHBondContact O-CE1 2.8Å; N82-T97 PolarHBondContact ND2-O 2.88Å; N82-C99 PolarHBondContact ND2-SG 2.85Å
83G92.9Very high92.6Very high41 Ų4164.9 Ų64.942%0.42336%0.359SS..THydrogen-bonded Turntrans8823.9-175.800000113.9A79 E80 M81 L87A79-G83 PolarHBondContact O-N 3.23Å; E80-G83 PolarHBondContact O-N 3.23Å; E80-G83 VanDerWaalsContact O-N 3.12Å; M81-G83 VanDerWaalsContact C-N 3.35Å; G83-L87 VanDerWaalsContact O-CD1 3.29Å; G83-L87 WeakPolarHBondContact O-CD1 3.42Å; G83-L87 WeakPolarHBondContact O-CG 3.42Å
84D92.9Very high91.8Very high0 Ų071 Ų710%038%0.383CS..  trans-80.5-19.9-173.6-68.4-16.9000114.2A79 N82 E86 H89 H96 C99A79-D84 HydrophobicContact CB-CB 4.17Å; A79-D84 PolarHBondContact O-N 2.99Å; N82-D84 VanDerWaalsContact ND2-CG 3.27Å; N82-D84 PolarHBondContact ND2-OD1 3.33Å; N82-D84 PolarHBondContact ND2-OD2 2.9Å; N82-D84 VanDerWaalsContact ND2-OD2 3.14Å; D84-E86 PolarHBondContact O-N 2.84Å; D84-H89 PolarHBondContact O-NE2 3.1Å; D84-H96 IonicContact OD1-CD2 3.75Å; D84-H96 IonicContact OD1-CE1 3.67Å; D84-H96 IonicContact OD1-NE2 2.75Å; D84-H96 PolarHBondContact OD1-NE2 2.79Å; D84-C99 PolarHBondContact OD2-N 2.85Å
85L91.5Very high91.2Very high34 Ų3475.3 Ų75.318%0.17841%0.406CS..THydrogen-bonded Turntrans-64.5-40.6-166.6-84.984.2000114.2Y76 A79 E80Y76-L85 HydrophobicContact CD2-CD2 4.3Å; Y76-L85 HydrophobicContact CE1-CD2 4.45Å; Y76-L85 HydrophobicContact CE2-CD2 3.42Å; Y76-L85 VanDerWaalsContact CE2-CD2 3.42Å; Y76-L85 HydrophobicContact CE2-CG 4.41Å; Y76-L85 WeakPolarHBondContact OH-CD2 3.12Å; A79-L85 HydrophobicContact CB-CD1 3.72Å; E80-L85 HydrophobicContact CB-CD1 3.7Å; E80-L85 HydrophobicContact CG-CD1 4.43Å
86E88.1Confident90.8Very high196 Ų19677.5 Ų77.592%0.91642%0.416SS*.THydrogen-bonded Turntrans-100.3-1.9-171.9-62-174168.700112.9D84D84-E86 PolarHBondContact O-N 2.84Å
87L88.8Confident90.4Very high51 Ų5177.9 Ų77.927%0.26743%0.425SS..SBendtrans-76.8156.2-179.2-67.3177.1000111.6G83 H89 P93 H96G83-L87 VanDerWaalsContact O-CD1 3.29Å; G83-L87 WeakPolarHBondContact O-CD1 3.42Å; G83-L87 WeakPolarHBondContact O-CG 3.42Å; L87-H89 PolarHBondContact O-CD2 3.05Å; L87-H89 VanDerWaalsContact O-CD2 3.27Å; L87-H89 PolarHBondContact O-N 2.88Å; L87-P93 HydrophobicContact CD2-CG 4.16Å; L87-H96 WeakPolarHBondContact CD1-CD2 3.17Å; L87-H96 WeakPolarHBondContact CD1-NE2 3.29Å
88D88Confident90.2Very high98 Ų9876.1 Ų76.152%0.52441%0.414SS..  trans-77.9113.1163.4-173.2-12.3000108.6D90 A91D88-D90 PolarHBondContact O-N 3.07Å; D88-D90 PolarHBondContact OD1-N 3.18Å; D88-A91 CarbonylContact O-C 3.54Å; D88-A91 PolarHBondContact O-N 3.42Å
89H88Confident90.1Very high10 Ų1074.8 Ų74.85%0.04641%0.407CS..SBendtrans-73.4-14.4-177.3-75.3-124.8000113.5D84 L87 I98 K101 Y102D84-H89 PolarHBondContact O-NE2 3.1Å; L87-H89 PolarHBondContact O-CD2 3.05Å; L87-H89 VanDerWaalsContact O-CD2 3.27Å; L87-H89 PolarHBondContact O-N 2.88Å; H89-I98 HydrophobicContact CB-CD1 4.03Å; H89-K101 HydrophobicContact CB-CG 4.31Å; H89-K101 WeakPolarHBondContact O-CE 3.32Å; H89-Y102 HydrophobicContact CB-CD1 3.9Å; H89-Y102 HydrophobicContact CB-CE1 4.03Å; H89-Y102 PolarHBondContact CE1-N 2.89Å; H89-Y102 PolarHBondContact ND1-N 3.18Å
90D87.4Confident90Very high104 Ų10474.9 Ų74.956%0.55641%0.407SS*.SBendtrans-95.3-17.3176.3-71-41.9000113.1D88 K101 Y102D88-D90 PolarHBondContact O-N 3.07Å; D88-D90 PolarHBondContact OD1-N 3.18Å; D90-K101 IonicContact OD1-NZ 2.86Å; D90-K101 PolarHBondContact OD1-NZ 2.9Å; D90-Y102 VanDerWaalsContact CG-OH 3.32Å; D90-Y102 PolarHBondContact OD1-OH 3.48Å; D90-Y102 PolarHBondContact OD2-OH 3.17Å
91A87.3Confident89.9Confident68 Ų6871.7 Ų71.756%0.56239%0.391SS*.SBendtrans-138.965175.300000111.9D88D88-A91 CarbonylContact O-C 3.54Å; D88-A91 PolarHBondContact O-N 3.42Å
92P87Confident89.8Confident57 Ų5768.2 Ų68.237%0.3737%0.37SS..  trans-65.7151.4178.825.5-32.5000112.1I98P92-I98 HydrophobicContact CB-CD1 3.85Å; P92-I98 HydrophobicContact CB-CG1 4.22Å; P92-I98 HydrophobicContact CG-CD1 4.16Å
93P88.1Confident89.9Confident69 Ų6965.8 Ų65.845%0.44836%0.357SS..  trans-56.3144171.1-20.730.6000111.7L87 N95 H96L87-P93 HydrophobicContact CD2-CG 4.16Å; P93-N95 PolarHBondContact O-N 3.28Å; P93-H96 HydrophobicContact CB-CB 4.22Å; P93-H96 HydrophobicContact CG-CB 4.33Å; P93-H96 PolarHBondContact O-N 2.88Å
94E81.5Confident89.9Confident200 Ų20067.5 Ų67.594%0.93536%0.359SS*.THydrogen-bonded Turntrans-57.2-24.6-176.6-66-171.8165.100114.4
95N85.7Confident90Very high167 Ų16769.8 Ų69.889%0.89338%0.375SS*.THydrogen-bonded Turntrans-97.48.6-179.2-68.2-27.3000113.9P93P93-N95 PolarHBondContact O-N 3.28Å
96H89.6Confident90.2Very high46 Ų4672.1 Ų72.121%0.21338%0.384CS..  trans-125.3124.5-174.5-168.466.2000112N82 D84 L87 P93N82-H96 PolarHBondContact ND2-CE1 3.48Å; N82-H96 PolarHBondContact ND2-NE2 2.81Å; N82-H96 PolarHBondContact O-CE1 2.8Å; D84-H96 IonicContact OD1-CD2 3.75Å; D84-H96 IonicContact OD1-CE1 3.67Å; D84-H96 IonicContact OD1-NE2 2.75Å; D84-H96 PolarHBondContact OD1-NE2 2.79Å; L87-H96 WeakPolarHBondContact CD1-CD2 3.17Å; L87-H96 WeakPolarHBondContact CD1-NE2 3.29Å; P93-H96 HydrophobicContact CB-CB 4.22Å; P93-H96 HydrophobicContact CG-CB 4.33Å; P93-H96 PolarHBondContact O-N 2.88Å
97T90.1Very high90.6Very high75 Ų7567.4 Ų67.446%0.4637%0.369SS..  trans-100.4120.2174.252.30000109.8N82 C99 D130N82-T97 PolarHBondContact ND2-O 2.88Å; T97-C99 PolarHBondContact O-N 3.16Å; T97-D130 HydrophobicContact CG2-CB 4.44Å
98I92.7Very high91Very high22 Ų2265.7 Ų65.711%0.11336%0.363CS..  trans-73127.8175.1-64.3170.9000108.9H89 P92 V100 S128H89-I98 HydrophobicContact CB-CD1 4.03Å; P92-I98 HydrophobicContact CB-CD1 3.85Å; P92-I98 HydrophobicContact CB-CG1 4.22Å; P92-I98 HydrophobicContact CG-CD1 4.16Å; I98-V100 WeakPolarHBondContact CG2-O 3.01Å; I98-S128 WeakPolarHBondContact O-CB 3.35Å
99C93.8Very high91.4Very high1 Ų161 Ų611%0.00734%0.338CS..SBendtrans-75.4-42-178.6-78.60000112.4N82 D84 T97 P127 S128 C131 A134N82-C99 PolarHBondContact ND2-SG 2.85Å; D84-C99 PolarHBondContact OD2-N 2.85Å; T97-C99 PolarHBondContact O-N 3.16Å; C99-P127 CarbonylContact O-C 3.58Å; C99-P127 WeakPolarHBondContact O-CA 3.46Å; C99-S128 PolarHBondContact O-N 3.49Å; C99-C131 HydrophobicContact CB-CB 3.78Å; C99-C131 WeakPolarHBondContact CB-SG 3.46Å; C99-C131 WeakPolarHBondContact SG-CB 3.42Å; C99-C131 CovalentContact SG-SG 2.05Å; C99-C131 PolarHBondContact SG-SG 3.24Å; C99-A134 HydrophobicContact CB-CB 4.18Å
100V94.4Very high91.8Very high5 Ų563.2 Ų63.23%0.0335%0.347CS..BIsolated β-bridgetrans-138.5125.7174.3-171.20000110.2W75 I98 I103 F112 P127 A134W75-V100 HydrophobicContact CE3-CG2 3.67Å; W75-V100 HydrophobicContact CH2-CG2 4.32Å; W75-V100 HydrophobicContact CZ3-CG2 3.39Å; I98-V100 WeakPolarHBondContact CG2-O 3.01Å; V100-I103 HydrophobicContact CB-CD1 3.66Å; V100-I103 HydrophobicContact CB-CG1 4.05Å; V100-I103 HydrophobicContact CG1-CD1 3.53Å; V100-I103 HydrophobicContact CG1-CG1 3.82Å; V100-I103 HydrophobicContact CG2-CD1 4.18Å; V100-F112 HydrophobicContact CG1-CD1 4.23Å; V100-F112 HydrophobicContact CG1-CD2 4.26Å; V100-F112 HydrophobicContact CG1-CE1 3.91Å; V100-F112 HydrophobicContact CG1-CE2 3.96Å; V100-F112 HydrophobicContact CG1-CG 4.38Å; V100-F112 HydrophobicContact CG1-CZ 3.78Å; V100-F112 HydrophobicContact CG2-CE1 4.3Å; V100-P127 HydrophobicContact CG2-CB 4.22Å; V100-A134 HydrophobicContact CG2-CB 4.31Å
101K93.1Very high92.3Very high51 Ų5160.2 Ų60.222%0.22233%0.334CS..THydrogen-bonded Turntrans-68.9136.1-177.1-146.5-178.3-179-162.40111.4H89 D90 I103 M125 F126H89-K101 HydrophobicContact CB-CG 4.31Å; H89-K101 WeakPolarHBondContact O-CE 3.32Å; D90-K101 IonicContact OD1-NZ 2.86Å; D90-K101 PolarHBondContact OD1-NZ 2.9Å; K101-I103 PolarHBondContact O-N 2.83Å; K101-M125 WeakPolarHBondContact O-CA 3.39Å; K101-M125 WeakPolarHBondContact O-CG 3.44Å; K101-F126 HydrophobicContact CB-CD1 4.47Å; K101-F126 HydrophobicContact CB-CE1 4.22Å; K101-F126 HydrophobicContact CB-CE2 4.45Å; K101-F126 HydrophobicContact CB-CZ 4.21Å; K101-F126 HydrophobicContact CD-CE1 3.89Å; K101-F126 HydrophobicContact CD-CE2 4.47Å; K101-F126 HydrophobicContact CD-CZ 3.64Å; K101-F126 PolarHBondContact N-O 3.17Å
102Y93.1Very high92.7Very high86 Ų8657.3 Ų57.334%0.33731%0.309SS..THydrogen-bonded Turntrans62.124.3177.7-51.6-69.1000117.3H89 D90 T104 T124H89-Y102 HydrophobicContact CB-CD1 3.9Å; H89-Y102 HydrophobicContact CB-CE1 4.03Å; H89-Y102 PolarHBondContact CE1-N 2.89Å; H89-Y102 PolarHBondContact ND1-N 3.18Å; D90-Y102 VanDerWaalsContact CG-OH 3.32Å; D90-Y102 PolarHBondContact OD1-OH 3.48Å; D90-Y102 PolarHBondContact OD2-OH 3.17Å; Y102-T104 PolarHBondContact O-N 2.86Å; Y102-T124 VanDerWaalsContact CD2-O 3.23Å; Y102-T124 WeakPolarHBondContact CD2-O 3.49Å
103I94.1Very high93.2Very high1 Ų154.6 Ų54.61%0.00529%0.291CS..  trans-85.187.1164.4-60.6-170.9000109.5W75 A79 V100 K101 A109 F112W75-I103 HydrophobicContact CB-CD1 4.31Å; A79-I103 HydrophobicContact CB-CG2 4.05Å; V100-I103 HydrophobicContact CB-CD1 3.66Å; V100-I103 HydrophobicContact CB-CG1 4.05Å; V100-I103 HydrophobicContact CG1-CD1 3.53Å; V100-I103 HydrophobicContact CG1-CG1 3.82Å; V100-I103 HydrophobicContact CG2-CD1 4.18Å; K101-I103 PolarHBondContact O-N 2.83Å; I103-A109 HydrophobicContact CG2-CB 3.81Å; I103-F112 HydrophobicContact CD1-CB 4.09Å; I103-F112 HydrophobicContact CD1-CD1 3.76Å; I103-F112 HydrophobicContact CD1-CE1 4.46Å; I103-F112 HydrophobicContact CD1-CG 4.02Å
104T92.6Very high93.6Very high76 Ų7653.2 Ų53.247%0.46628%0.28SS..  trans-104.1-10.9179.757.10000113.8Y102Y102-T104 PolarHBondContact O-N 2.86Å
105S95.3Very high94.3Very high48 Ų4844.3 Ų44.334%0.33624%0.238SC..SBendtrans-149.1164.7-178.265.70000111.5T107 A108 A109S105-T107 PolarHBondContact O-N 3.21Å; S105-A108 WeakPolarHBondContact O-CB 3.41Å; S105-A108 PolarHBondContact O-N 3.41Å; S105-A108 VanDerWaalsContact O-N 3.11Å; S105-A108 PolarHBondContact OG-N 2.95Å; S105-A109 PolarHBondContact O-N 3.4Å
106F96.4Very high94.7Very high83 Ų8337.3 Ų37.336%0.36420%0.202SC..Hα-helixtrans-59.2-36.6174.6-179.2-100.2000112.1L69 A72 V73 Y76 A108 A109 F110L69-F106 HydrophobicContact CD2-CZ 4.31Å; A72-F106 HydrophobicContact CB-CE2 4.06Å; A72-F106 HydrophobicContact CB-CZ 4.1Å; V73-F106 HydrophobicContact CG2-CE2 3.77Å; V73-F106 HydrophobicContact CG2-CZ 4.28Å; Y76-F106 HydrophobicContact CD2-CB 3.98Å; Y76-F106 HydrophobicContact CD2-CD2 4.37Å; Y76-F106 HydrophobicContact CE2-CB 4.07Å; Y76-F106 HydrophobicContact CG-CD2 4.15Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 2.78Å; F106-A109 PolarHBondContact O-N 3.01Å; F106-F110 WeakPolarHBondContact O-CB 3.46Å; F106-F110 PolarHBondContact O-N 2.84Å
107T96.4Very high95Very high98 Ų9835.8 Ų35.860%0.60120%0.195SC*.Hα-helixtrans-65.4-36.9176.7-51.80000111.9S105 F110 S111S105-T107 PolarHBondContact O-N 3.21Å; T107-F110 PolarHBondContact O-N 2.94Å; T107-S111 WeakPolarHBondContact O-CB 3.47Å; T107-S111 PolarHBondContact O-N 3.21Å; T107-S111 PolarHBondContact O-OG 3.45Å
108A95.5Very high95.2Very high15 Ų1535.9 Ų35.912%0.12419%0.192CC..Hα-helixtrans-66-45.1172.700000111.1S105 F106 F110 S111 F112 M125S105-A108 WeakPolarHBondContact O-CB 3.41Å; S105-A108 PolarHBondContact O-N 3.41Å; S105-A108 VanDerWaalsContact O-N 3.11Å; S105-A108 PolarHBondContact OG-N 2.95Å; F106-A108 VanDerWaalsContact C-N 3.33Å; F106-A108 PolarHBondContact O-N 2.78Å; A108-F110 VanDerWaalsContact C-N 3.32Å; A108-F110 PolarHBondContact O-N 2.86Å; A108-S111 PolarHBondContact O-N 2.94Å; A108-F112 WeakPolarHBondContact O-CB 3.33Å; A108-F112 PolarHBondContact O-N 3.48Å; A108-M125 HydrophobicContact CB-SD 4.46Å
109A97Very high95.2Very high0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-60.4-39.8175.400000112.7W75 Y76 I103 S105 F106 S113W75-A109 HydrophobicContact CB-CB 4.2Å; Y76-A109 HydrophobicContact CD2-CB 4.47Å; I103-A109 HydrophobicContact CG2-CB 3.81Å; S105-A109 PolarHBondContact O-N 3.4Å; F106-A109 PolarHBondContact O-N 3.01Å; A109-S113 WeakPolarHBondContact O-CB 3.39Å; A109-S113 PolarHBondContact O-N 2.72Å
110F97.3Very high95.3Very high55 Ų5543.3 Ų43.324%0.24124%0.235CC..Hα-helixtrans-64.7-44.1174.2176.8-100.3000112.4W68 L69 A72 F106 T107 A108 S113 L114W68-F110 HydrophobicContact CB-CD2 4.45Å; W68-F110 HydrophobicContact CB-CE2 3.83Å; W68-F110 HydrophobicContact CE3-CZ 4.44Å; L69-F110 HydrophobicContact CD2-CD2 3.86Å; L69-F110 HydrophobicContact CD2-CE2 3.87Å; L69-F110 HydrophobicContact CG-CD2 4.47Å; L69-F110 HydrophobicContact CG-CE2 4.13Å; A72-F110 VanDerWaalsContact CB-CA 3.47Å; A72-F110 HydrophobicContact CB-CB 3.84Å; A72-F110 HydrophobicContact CB-CD2 4.01Å; A72-F110 HydrophobicContact CB-CG 4.44Å; F106-F110 WeakPolarHBondContact O-CB 3.46Å; F106-F110 PolarHBondContact O-N 2.84Å; T107-F110 PolarHBondContact O-N 2.94Å; A108-F110 VanDerWaalsContact C-N 3.32Å; A108-F110 PolarHBondContact O-N 2.86Å; F110-S113 PolarHBondContact O-N 2.85Å; F110-L114 HydrophobicContact CE1-CD1 4.19Å; F110-L114 HydrophobicContact CZ-CD1 4.28Å; F110-L114 WeakPolarHBondContact O-CB 3.45Å; F110-L114 PolarHBondContact O-N 2.81Å
111S96.4Very high95.1Very high42 Ų4245.5 Ų45.529%0.29426%0.259SS..Hα-helixtrans-61.8-46176.8-55.30000110.6T107 A108 S113 L114 E115T107-S111 WeakPolarHBondContact O-CB 3.47Å; T107-S111 PolarHBondContact O-N 3.21Å; T107-S111 PolarHBondContact O-OG 3.45Å; A108-S111 PolarHBondContact O-N 2.94Å; S111-S113 PolarHBondContact O-N 3.07Å; S111-L114 PolarHBondContact O-N 3.14Å; S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 VanDerWaalsContact O-CG 3.25Å; S111-E115 WeakPolarHBondContact O-CG 3.38Å; S111-E115 PolarHBondContact O-N 2.91Å
112F96.8Very high94.9Very high6 Ų650.9 Ų50.93%0.02628%0.279CS..Hα-helixtrans-60-44.2175.2-178.3-111.6000112.8W75 V100 I103 A108 E115 T116 M125 P127W75-F112 AromaticContact CD2-CD1 3.87Å; W75-F112 HydrophobicContact CD2-CD1 3.87Å; W75-F112 AromaticContact CD2-CE1 3.73Å; W75-F112 HydrophobicContact CD2-CE1 3.73Å; W75-F112 AromaticContact CE2-CD1 3.9Å; W75-F112 AromaticContact CE2-CE1 3.5Å; W75-F112 HydrophobicContact CE3-CD1 4.4Å; W75-F112 AromaticContact CE3-CE1 4Å; W75-F112 HydrophobicContact CE3-CE1 4Å; W75-F112 AromaticContact CG-CD1 4Å; W75-F112 HydrophobicContact CG-CD1 4Å; W75-F112 HydrophobicContact CG-CE1 4.34Å; W75-F112 AromaticContact CH2-CE1 3.87Å; W75-F112 HydrophobicContact CH2-CE1 3.87Å; W75-F112 HydrophobicContact CZ2-CD1 4.44Å; W75-F112 AromaticContact CZ2-CE1 3.61Å; W75-F112 HydrophobicContact CZ2-CE1 3.61Å; W75-F112 HydrophobicContact CZ2-CZ 4.46Å; W75-F112 HydrophobicContact CZ3-CE1 4.07Å; W75-F112 AromaticContact NE1-CD1 3.95Å; W75-F112 AromaticContact NE1-CE1 3.95Å; V100-F112 HydrophobicContact CG1-CD1 4.23Å; V100-F112 HydrophobicContact CG1-CD2 4.26Å; V100-F112 HydrophobicContact CG1-CE1 3.91Å; V100-F112 HydrophobicContact CG1-CE2 3.96Å; V100-F112 HydrophobicContact CG1-CG 4.38Å; V100-F112 HydrophobicContact CG1-CZ 3.78Å; V100-F112 HydrophobicContact CG2-CE1 4.3Å; I103-F112 HydrophobicContact CD1-CB 4.09Å; I103-F112 HydrophobicContact CD1-CD1 3.76Å; I103-F112 HydrophobicContact CD1-CE1 4.46Å; I103-F112 HydrophobicContact CD1-CG 4.02Å; A108-F112 WeakPolarHBondContact O-CB 3.33Å; A108-F112 PolarHBondContact O-N 3.48Å; F112-E115 PolarHBondContact O-N 2.89Å; F112-T116 WeakPolarHBondContact O-CB 3.43Å; F112-T116 PolarHBondContact O-N 3.16Å; F112-T116 PolarHBondContact O-OG1 2.98Å; F112-M125 HydrophobicContact CB-CE 4.4Å; F112-M125 HydrophobicContact CB-SD 3.95Å; F112-M125 HydrophobicContact CD2-CB 3.62Å; F112-M125 HydrophobicContact CE2-CB 4.25Å; F112-M125 HydrophobicContact CG-CB 4.43Å; F112-P127 HydrophobicContact CZ-CG 4.4Å
113S97.4Very high94.6Very high0 Ų049.2 Ų49.20%029%0.289CS..Hα-helixtrans-60.6-46.6176.7-178.50000111.7W68 F71 A109 F110 S111 Q117 Q141W68-S113 PolarHBondContact O-OG 3.35Å; F71-S113 WeakPolarHBondContact CB-OG 3.36Å; A109-S113 WeakPolarHBondContact O-CB 3.39Å; A109-S113 PolarHBondContact O-N 2.72Å; F110-S113 PolarHBondContact O-N 2.85Å; S111-S113 PolarHBondContact O-N 3.07Å; S113-Q117 WeakPolarHBondContact O-CB 3.4Å; S113-Q117 PolarHBondContact O-N 3.47Å; S113-Q141 PolarHBondContact O-NE2 2.93Å; S113-Q141 PolarHBondContact OG-NE2 3.11Å
114L96.2Very high94.4Very high40 Ų4053.2 Ų53.221%0.20931%0.313CS..Hα-helixtrans-62.2-49.3177.6-179.4157.3000111.4W68 F110 S111 T116 Q117 L118 I120W68-L114 HydrophobicContact CD2-CD1 4.46Å; W68-L114 HydrophobicContact CD2-CG 4.39Å; W68-L114 HydrophobicContact CE3-CD1 4.08Å; W68-L114 HydrophobicContact CE3-CG 4.49Å; W68-L114 HydrophobicContact CZ3-CD1 4.19Å; F110-L114 HydrophobicContact CE1-CD1 4.19Å; F110-L114 HydrophobicContact CZ-CD1 4.28Å; F110-L114 WeakPolarHBondContact O-CB 3.45Å; F110-L114 PolarHBondContact O-N 2.81Å; S111-L114 PolarHBondContact O-N 3.14Å; L114-T116 VanDerWaalsContact C-N 3.32Å; L114-T116 PolarHBondContact O-N 2.89Å; L114-Q117 PolarHBondContact O-N 2.81Å; L114-L118 HydrophobicContact CD2-CD1 3.79Å; L114-L118 HydrophobicContact CG-CD1 4.06Å; L114-L118 WeakPolarHBondContact O-CB 3.31Å; L114-L118 PolarHBondContact O-N 3.29Å; L114-I120 HydrophobicContact CD2-CD1 4.01Å
115E95.4Very high94.4Very high13 Ų1350.8 Ų50.86%0.06130%0.297CS..Hα-helixtrans-61.2-41.2-179.2-75.6174.2-137.800112.3S111 F112 T119 I120 G121 Y122 M125S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 VanDerWaalsContact O-CG 3.25Å; S111-E115 WeakPolarHBondContact O-CG 3.38Å; S111-E115 PolarHBondContact O-N 2.91Å; F112-E115 PolarHBondContact O-N 2.89Å; E115-T119 PolarHBondContact O-N 2.86Å; E115-T119 VanDerWaalsContact O-N 3.12Å; E115-I120 PolarHBondContact O-N 3.29Å; E115-G121 PolarHBondContact O-N 3.44Å; E115-Y122 HydrophobicContact CG-CD2 3.76Å; E115-Y122 HydrophobicContact CG-CE2 3.84Å; E115-Y122 WeakPolarHBondContact OE1-CD2 3.45Å; E115-Y122 WeakPolarHBondContact OE2-CD2 3.46Å; E115-Y122 PolarHBondContact OE2-N 2.94Å; E115-M125 WeakPolarHBondContact OE1-CE 3.23Å
116T95.1Very high94.3Very high20 Ų2053.5 Ų53.512%0.12330%0.303CS..Hα-helixtrans-64.5-50.7176.9-64.30000110.5F112 L114 L118 T119 L138 M142F112-T116 WeakPolarHBondContact O-CB 3.43Å; F112-T116 PolarHBondContact O-N 3.16Å; F112-T116 PolarHBondContact O-OG1 2.98Å; L114-T116 VanDerWaalsContact C-N 3.32Å; L114-T116 PolarHBondContact O-N 2.89Å; T116-L118 PolarHBondContact O-N 3.35Å; T116-T119 PolarHBondContact O-N 2.92Å; T116-T119 VanDerWaalsContact O-N 3.15Å; T116-L138 HydrophobicContact CG2-CD1 3.28Å; T116-M142 HydrophobicContact CG2-SD 3.9Å
117Q94.9Very high94.2Very high14 Ų1451.2 Ų51.27%0.06530%0.296CS..Hα-helixtrans-66.4-39.5-175.8-175.755.460.300112.9H67 S113 L114 T119 Q141H67-Q117 PolarHBondContact CD2-OE1 3.17Å; H67-Q117 PolarHBondContact NE2-OE1 3.28Å; S113-Q117 WeakPolarHBondContact O-CB 3.4Å; S113-Q117 PolarHBondContact O-N 3.47Å; L114-Q117 PolarHBondContact O-N 2.81Å; Q117-T119 PolarHBondContact O-N 3Å; Q117-Q141 PolarHBondContact OE1-O 2.88Å
118L94.4Very high93.9Very high77 Ų7748 Ų4840%0.40328%0.277SS..THydrogen-bonded Turntrans-83.91178.1-69.1-179.2000112.6W68 L114 T116 I120W68-L118 HydrophobicContact CH2-CD1 4.4Å; W68-L118 HydrophobicContact CZ2-CD1 3.97Å; W68-L118 HydrophobicContact CZ2-CD2 4.02Å; W68-L118 HydrophobicContact CZ2-CG 4.06Å; L114-L118 HydrophobicContact CD2-CD1 3.79Å; L114-L118 HydrophobicContact CG-CD1 4.06Å; L114-L118 WeakPolarHBondContact O-CB 3.31Å; L114-L118 PolarHBondContact O-N 3.29Å; T116-L118 PolarHBondContact O-N 3.35Å; L118-I120 HydrophobicContact CB-CD1 3.85Å; L118-I120 HydrophobicContact CB-CG1 3.76Å; L118-I120 HydrophobicContact CD1-CD1 3.97Å; L118-I120 PolarHBondContact O-N 3.18Å; L118-I120 VanDerWaalsContact O-N 3.16Å
119T94.4Very high93.7Very high110 Ų11050.3 Ų50.368%0.67530%0.303SS*.THydrogen-bonded Turntrans55.130.2-177.765.40000113.3E115 T116 Q117 M142E115-T119 PolarHBondContact O-N 2.86Å; E115-T119 VanDerWaalsContact O-N 3.12Å; T116-T119 PolarHBondContact O-N 2.92Å; T116-T119 VanDerWaalsContact O-N 3.15Å; Q117-T119 PolarHBondContact O-N 3Å; T119-M142 HydrophobicContact CG2-CE 3.89Å
120I95.8Very high93.4Very high69 Ų6956.2 Ų56.235%0.35434%0.335SS..  trans-73.5-51.4177.8-62.1171.7000109.2L114 E115 L118 Y122L114-I120 HydrophobicContact CD2-CD1 4.01Å; E115-I120 PolarHBondContact O-N 3.29Å; L118-I120 HydrophobicContact CB-CD1 3.85Å; L118-I120 HydrophobicContact CB-CG1 3.76Å; L118-I120 HydrophobicContact CD1-CD1 3.97Å; L118-I120 PolarHBondContact O-N 3.18Å; L118-I120 VanDerWaalsContact O-N 3.16Å; I120-Y122 HydrophobicContact CG2-CD1 3.67Å; I120-Y122 HydrophobicContact CG2-CD2 4.38Å; I120-Y122 HydrophobicContact CG2-CE1 3.29Å; I120-Y122 HydrophobicContact CG2-CE2 4.04Å; I120-Y122 HydrophobicContact CG2-CG 4.2Å; I120-Y122 VanDerWaalsContact CG2-CZ 3.48Å
121G89.4Confident93.3Very high52 Ų5253.9 Ų53.954%0.53633%0.325SS..  trans4968.7175.700000113.9E115 G123E115-G121 PolarHBondContact O-N 3.44Å; G121-G123 PolarHBondContact O-N 3.39Å
122Y89.9Confident93.2Very high163 Ų16356.7 Ų56.764%0.63934%0.342SS*.  trans-59.2-19.9179-63.9-52.5000113.1E115 I120E115-Y122 HydrophobicContact CG-CD2 3.76Å; E115-Y122 HydrophobicContact CG-CE2 3.84Å; E115-Y122 WeakPolarHBondContact OE1-CD2 3.45Å; E115-Y122 WeakPolarHBondContact OE2-CD2 3.46Å; E115-Y122 PolarHBondContact OE2-N 2.94Å; I120-Y122 HydrophobicContact CG2-CD1 3.67Å; I120-Y122 HydrophobicContact CG2-CD2 4.38Å; I120-Y122 HydrophobicContact CG2-CE1 3.29Å; I120-Y122 HydrophobicContact CG2-CE2 4.04Å; I120-Y122 HydrophobicContact CG2-CG 4.2Å; I120-Y122 VanDerWaalsContact CG2-CZ 3.48Å
123G86.5Confident93.1Very high52 Ų5259.2 Ų59.254%0.53636%0.361SS..SBendtrans89-1170.800000114.4G121G121-G123 PolarHBondContact O-N 3.39Å
124T88.3Confident93Very high85 Ų8559.2 Ų59.252%0.52136%0.361SS..SBendtrans-72.4-46.7172.250.50000110.9Y102Y102-T124 VanDerWaalsContact CD2-O 3.23Å; Y102-T124 WeakPolarHBondContact CD2-O 3.49Å
125M93.3Very high93Very high25 Ų2560.9 Ų60.912%0.12337%0.369CS..SBendtrans-99.3129.2175.2-65170.4-75.500110.2K101 A108 F112 E115K101-M125 WeakPolarHBondContact O-CA 3.39Å; K101-M125 WeakPolarHBondContact O-CG 3.44Å; A108-M125 HydrophobicContact CB-SD 4.46Å; F112-M125 HydrophobicContact CB-CE 4.4Å; F112-M125 HydrophobicContact CB-SD 3.95Å; F112-M125 HydrophobicContact CD2-CB 3.62Å; F112-M125 HydrophobicContact CE2-CB 4.25Å; F112-M125 HydrophobicContact CG-CB 4.43Å; E115-M125 WeakPolarHBondContact OE1-CE 3.23Å
126F92.9Very high93.1Very high105 Ų10562.6 Ų62.646%0.46139%0.386SS..  trans-150.5145.6177.656.8-90.1000111.4K101K101-F126 HydrophobicContact CB-CD1 4.47Å; K101-F126 HydrophobicContact CB-CE1 4.22Å; K101-F126 HydrophobicContact CB-CE2 4.45Å; K101-F126 HydrophobicContact CB-CZ 4.21Å; K101-F126 HydrophobicContact CD-CE1 3.89Å; K101-F126 HydrophobicContact CD-CE2 4.47Å; K101-F126 HydrophobicContact CD-CZ 3.64Å; K101-F126 PolarHBondContact N-O 3.17Å
127P94.3Very high93.2Very high34 Ų3462.8 Ų62.822%0.22139%0.385CS..BIsolated β-bridgetrans-76.6142.2177.829.5-28.9000111C99 V100 F112 A134 I135 L138C99-P127 CarbonylContact O-C 3.58Å; C99-P127 WeakPolarHBondContact O-CA 3.46Å; V100-P127 HydrophobicContact CG2-CB 4.22Å; F112-P127 HydrophobicContact CZ-CG 4.4Å; P127-A134 HydrophobicContact CB-CB 4.23Å; P127-I135 HydrophobicContact CB-CD1 4.41Å; P127-L138 HydrophobicContact CG-CD2 3.99Å
128S91.1Very high93.3Very high30 Ų3064.2 Ų64.221%0.2139%0.393CS..  trans-78.7139.6174.1-177.30000111.2I98 C99 D130 C131I98-S128 WeakPolarHBondContact O-CB 3.35Å; C99-S128 PolarHBondContact O-N 3.49Å; S128-D130 PolarHBondContact O-N 2.82Å; S128-D130 PolarHBondContact OG-N 3.27Å; S128-C131 PolarHBondContact O-N 3.43Å
129G90.6Very high93.4Very high64 Ų6463.3 Ų63.366%0.6640%0.397SS*.THydrogen-bonded Turntrans-67.3-18.4173.200000113.5C131G129-C131 VanDerWaalsContact C-N 3.29Å; G129-C131 PolarHBondContact O-N 3.22Å
130D90.8Very high93.6Very high125 Ų12562.6 Ų62.667%0.66839%0.388SS*.THydrogen-bonded Turntrans-83.6-4.8-178.8-57.5-45.3000113T97 S128 P132T97-D130 HydrophobicContact CG2-CB 4.44Å; S128-D130 PolarHBondContact O-N 2.82Å; S128-D130 PolarHBondContact OG-N 3.27Å; D130-P132 WeakPolarHBondContact O-CD 3.35Å
131C94.5Very high93.7Very high6 Ų659.3 Ų59.34%0.04137%0.371CS..  trans-113.793176.9179.40000110.7C99 S128 G129 S133 A134 I135C99-C131 HydrophobicContact CB-CB 3.78Å; C99-C131 WeakPolarHBondContact CB-SG 3.46Å; C99-C131 WeakPolarHBondContact SG-CB 3.42Å; C99-C131 CovalentContact SG-SG 2.05Å; C99-C131 PolarHBondContact SG-SG 3.24Å; S128-C131 PolarHBondContact O-N 3.43Å; G129-C131 VanDerWaalsContact C-N 3.29Å; G129-C131 PolarHBondContact O-N 3.22Å; C131-S133 PolarHBondContact O-N 3.34Å; C131-S133 PolarHBondContact SG-OG 2.99Å; C131-A134 HydrophobicContact CB-CB 4.16Å; C131-A134 WeakPolarHBondContact O-CB 3.17Å; C131-A134 PolarHBondContact O-N 2.89Å; C131-A134 VanDerWaalsContact O-N 3.09Å; C131-I135 PolarHBondContact O-N 2.87Å
132P94.7Very high94.1Very high101 Ų10159.4 Ų59.466%0.65636%0.359SS*.Hα-helixtrans-60.6-30.4-176.4-25.534.5000114.2D130 I135 A136D130-P132 WeakPolarHBondContact O-CD 3.35Å; P132-I135 PolarHBondContact O-N 3.43Å; P132-A136 WeakPolarHBondContact O-CB 3.42Å; P132-A136 PolarHBondContact O-N 3.4Å
133S94.8Very high94.4Very high59 Ų5956.8 Ų56.841%0.41336%0.355SS..Hα-helixtrans-65.7-37.4176.747.60000112.1C131 A136 L137C131-S133 PolarHBondContact O-N 3.34Å; C131-S133 PolarHBondContact SG-OG 2.99Å; S133-A136 PolarHBondContact O-N 3.01Å; S133-L137 WeakPolarHBondContact O-CB 3.5Å; S133-L137 PolarHBondContact O-N 3.04Å
134A95.8Very high94.9Very high0 Ų058.1 Ų58.10%035%0.35CS..Hα-helixtrans-65-46.4173.300000111.1W75 L78 C99 V100 P127 C131 A136 L137 L138W75-A134 HydrophobicContact CH2-CB 4.38Å; W75-A134 VanDerWaalsContact CH2-O 3.25Å; W75-A134 WeakPolarHBondContact CH2-O 3.49Å; W75-A134 HydrophobicContact CZ3-CB 3.98Å; L78-A134 HydrophobicContact CD2-CB 4.04Å; C99-A134 HydrophobicContact CB-CB 4.18Å; V100-A134 HydrophobicContact CG2-CB 4.31Å; P127-A134 HydrophobicContact CB-CB 4.23Å; C131-A134 HydrophobicContact CB-CB 4.16Å; C131-A134 WeakPolarHBondContact O-CB 3.17Å; C131-A134 PolarHBondContact O-N 2.89Å; C131-A134 VanDerWaalsContact O-N 3.09Å; A134-A136 VanDerWaalsContact C-N 3.33Å; A134-A136 PolarHBondContact O-N 2.88Å; A134-L137 PolarHBondContact O-N 3.36Å; A134-L138 WeakPolarHBondContact O-CB 3.31Å; A134-L138 PolarHBondContact O-N 2.87Å
135I97Very high95.3Very high74 Ų7454.1 Ų54.138%0.37933%0.325SS..Hα-helixtrans-62.9-40.4177.7-56.8-56.9000111.5P127 C131 P132 L138 A139P127-I135 HydrophobicContact CB-CD1 4.41Å; C131-I135 PolarHBondContact O-N 2.87Å; P132-I135 PolarHBondContact O-N 3.43Å; I135-L138 PolarHBondContact O-N 3.22Å; I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.21Å
136A97.1Very high95.5Very high50 Ų5057.7 Ų57.741%0.41334%0.344SS..Hα-helixtrans-64.5-45.617600000112.1P132 S133 A134 L138 A139 I140P132-A136 WeakPolarHBondContact O-CB 3.42Å; P132-A136 PolarHBondContact O-N 3.4Å; S133-A136 PolarHBondContact O-N 3.01Å; A134-A136 VanDerWaalsContact C-N 3.33Å; A134-A136 PolarHBondContact O-N 2.88Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.33Å; A136-A139 PolarHBondContact O-N 2.79Å; A136-I140 VanDerWaalsContact O-CG1 3.3Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.34Å
137L97.3Very high95.7Very high23 Ų2358.3 Ų58.312%0.1235%0.35CS..Hα-helixtrans-63-41.8177.9-178.258.4000111.5F71 L74 W75 L78 S133 A134 I140 Q141F71-L137 HydrophobicContact CD1-CD1 3.97Å; F71-L137 HydrophobicContact CE1-CD1 3.83Å; L74-L137 HydrophobicContact CB-CD1 3.97Å; L74-L137 HydrophobicContact CB-CD2 4.01Å; L74-L137 HydrophobicContact CD1-CD1 3.95Å; W75-L137 HydrophobicContact CD2-CD2 3.58Å; W75-L137 HydrophobicContact CD2-CG 4.24Å; W75-L137 HydrophobicContact CE3-CD2 3.64Å; W75-L137 HydrophobicContact CE3-CG 4.44Å; W75-L137 HydrophobicContact CG-CD2 4.13Å; W75-L137 HydrophobicContact CH2-CB 4.02Å; W75-L137 HydrophobicContact CH2-CD2 4.15Å; W75-L137 HydrophobicContact CH2-CG 4.1Å; W75-L137 HydrophobicContact CZ2-CB 4.19Å; W75-L137 HydrophobicContact CZ2-CD2 4.08Å; W75-L137 HydrophobicContact CZ2-CG 3.85Å; W75-L137 HydrophobicContact CZ3-CB 4.37Å; W75-L137 HydrophobicContact CZ3-CD2 3.92Å; W75-L137 HydrophobicContact CZ3-CG 4.37Å; L78-L137 HydrophobicContact CB-CD2 4.46Å; L78-L137 HydrophobicContact CD2-CD2 4.07Å; S133-L137 WeakPolarHBondContact O-CB 3.5Å; S133-L137 PolarHBondContact O-N 3.04Å; A134-L137 PolarHBondContact O-N 3.36Å; L137-I140 PolarHBondContact O-N 3.05Å; L137-Q141 WeakPolarHBondContact O-CB 3.45Å; L137-Q141 PolarHBondContact O-N 2.68Å
138L96.9Very high95.7Very high44 Ų4458.5 Ų58.523%0.2335%0.349CS..Hα-helixtrans-57.1-50.3172.7177.467.4000111.5W75 T116 P127 A134 I135 A136 I140 Q141 M142W75-L138 HydrophobicContact CH2-CB 4.11Å; W75-L138 HydrophobicContact CZ2-CB 4.13Å; T116-L138 HydrophobicContact CG2-CD1 3.28Å; P127-L138 HydrophobicContact CG-CD2 3.99Å; A134-L138 WeakPolarHBondContact O-CB 3.31Å; A134-L138 PolarHBondContact O-N 2.87Å; I135-L138 PolarHBondContact O-N 3.22Å; A136-L138 VanDerWaalsContact C-N 3.34Å; A136-L138 PolarHBondContact O-N 3.33Å; L138-I140 VanDerWaalsContact C-N 3.34Å; L138-I140 PolarHBondContact O-N 2.93Å; L138-Q141 PolarHBondContact O-N 3.2Å; L138-M142 HydrophobicContact CD1-CG 4.31Å; L138-M142 VanDerWaalsContact O-CG 3.31Å; L138-M142 WeakPolarHBondContact O-CG 3.28Å; L138-M142 PolarHBondContact O-N 2.78Å
139A97.3Very high95.9Very high59 Ų5961.9 Ų61.949%0.48836%0.361SS..Hα-helixtrans-61.2-42.7-179.600000112I135 A136 M142 L143I135-A139 WeakPolarHBondContact O-CB 3.44Å; I135-A139 PolarHBondContact O-N 3.21Å; A136-A139 PolarHBondContact O-N 2.79Å; A139-M142 PolarHBondContact O-N 2.79Å; A139-L143 WeakPolarHBondContact O-CB 3.3Å; A139-L143 PolarHBondContact O-N 2.88Å
140I97.9Very high96.2Very high94 Ų9461.9 Ų61.948%0.48236%0.355SS..Hα-helixtrans-64.2-44.3176.7-68.3166.6000110.7F71 A136 L137 L138 M142 L143 L144F71-I140 HydrophobicContact CE1-CG2 4.38Å; F71-I140 HydrophobicContact CZ-CG2 4.21Å; A136-I140 VanDerWaalsContact O-CG1 3.3Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.34Å; L137-I140 PolarHBondContact O-N 3.05Å; L138-I140 VanDerWaalsContact C-N 3.34Å; L138-I140 PolarHBondContact O-N 2.93Å; I140-M142 PolarHBondContact O-N 3.28Å; I140-L143 PolarHBondContact O-N 3.22Å; I140-L144 HydrophobicContact CG2-CD1 3.96Å; I140-L144 HydrophobicContact CG2-CG 4.41Å; I140-L144 WeakPolarHBondContact O-CB 3.26Å; I140-L144 WeakPolarHBondContact O-CG 3.29Å; I140-L144 PolarHBondContact O-N 3.45Å
141Q97.6Very high96.4Very high0 Ų061 Ų610%035%0.345CS..Hα-helixtrans-57.8-49.9177-175.2176.3-19.700111.3F71 S113 Q117 L137 L138 L143 G145F71-Q141 HydrophobicContact CB-CG 4.28Å; F71-Q141 HydrophobicContact CD1-CB 3.52Å; F71-Q141 HydrophobicContact CD1-CG 3.63Å; F71-Q141 HydrophobicContact CD2-CG 3.96Å; F71-Q141 VanDerWaalsContact CE1-CA 3.42Å; F71-Q141 HydrophobicContact CE1-CB 3.4Å; F71-Q141 VanDerWaalsContact CE1-CB 3.4Å; F71-Q141 HydrophobicContact CE1-CG 3.9Å; F71-Q141 HydrophobicContact CE2-CB 4.43Å; F71-Q141 HydrophobicContact CE2-CG 4.23Å; F71-Q141 HydrophobicContact CG-CB 4.1Å; F71-Q141 HydrophobicContact CG-CG 3.66Å; F71-Q141 VanDerWaalsContact CZ-CA 3.45Å; F71-Q141 HydrophobicContact CZ-CB 3.9Å; F71-Q141 HydrophobicContact CZ-CG 4.2Å; S113-Q141 PolarHBondContact O-NE2 2.93Å; S113-Q141 PolarHBondContact OG-NE2 3.11Å; Q117-Q141 PolarHBondContact OE1-O 2.88Å; L137-Q141 WeakPolarHBondContact O-CB 3.45Å; L137-Q141 PolarHBondContact O-N 2.68Å; L138-Q141 PolarHBondContact O-N 3.2Å; Q141-L143 PolarHBondContact O-N 2.69Å; Q141-G145 PolarHBondContact O-N 2.93Å
142M96.8Very high96.4Very high55 Ų5561.6 Ų61.627%0.27135%0.348SS..Hα-helixtrans-62.9-44.2-179.2-68.6-56.8-70.400111.6T116 T119 L138 A139 I140 G145 L146T116-M142 HydrophobicContact CG2-SD 3.9Å; T119-M142 HydrophobicContact CG2-CE 3.89Å; L138-M142 HydrophobicContact CD1-CG 4.31Å; L138-M142 VanDerWaalsContact O-CG 3.31Å; L138-M142 WeakPolarHBondContact O-CG 3.28Å; L138-M142 PolarHBondContact O-N 2.78Å; A139-M142 PolarHBondContact O-N 2.79Å; I140-M142 PolarHBondContact O-N 3.28Å; M142-G145 PolarHBondContact O-N 3.37Å; M142-L146 WeakPolarHBondContact O-CB 3.38Å; M142-L146 VanDerWaalsContact O-CG 3.25Å; M142-L146 WeakPolarHBondContact O-CG 3.24Å; M142-L146 PolarHBondContact O-N 3.21Å
143L97.6Very high96.4Very high107 Ų10760.4 Ų60.456%0.5634%0.339SS*.Hα-helixtrans-61.9-51.8179.2-179.464.4000112A139 I140 Q141 G145 L146 M147A139-L143 WeakPolarHBondContact O-CB 3.3Å; A139-L143 PolarHBondContact O-N 2.88Å; I140-L143 PolarHBondContact O-N 3.22Å; Q141-L143 PolarHBondContact O-N 2.69Å; L143-G145 VanDerWaalsContact C-N 3.28Å; L143-G145 PolarHBondContact O-N 2.62Å; L143-L146 PolarHBondContact O-N 3.05Å; L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 3.45Å
144L97.1Very high96.3Very high81 Ų8159.4 Ų59.442%0.42434%0.338SS..Hα-helixtrans-65.8-35.8-179.7-68.9-178.5000111.8F71 I140 M147 L148F71-L144 HydrophobicContact CE2-CD1 4.46Å; F71-L144 HydrophobicContact CZ-CD1 4.11Å; I140-L144 HydrophobicContact CG2-CD1 3.96Å; I140-L144 HydrophobicContact CG2-CG 4.41Å; I140-L144 WeakPolarHBondContact O-CB 3.26Å; I140-L144 WeakPolarHBondContact O-CG 3.29Å; I140-L144 PolarHBondContact O-N 3.45Å; L144-M147 HydrophobicContact CD2-SD 4.43Å; L144-M147 PolarHBondContact O-N 2.69Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 PolarHBondContact O-N 3.34Å
145G96.6Very high96.2Very high0 Ų059.5 Ų59.50%034%0.339CS..Hα-helixtrans-61.6-48.2174.600000113.9Q141 M142 L143 M147 L148 E149Q141-G145 PolarHBondContact O-N 2.93Å; M142-G145 PolarHBondContact O-N 3.37Å; L143-G145 VanDerWaalsContact C-N 3.28Å; L143-G145 PolarHBondContact O-N 2.62Å; G145-M147 VanDerWaalsContact C-N 3.31Å; G145-M147 PolarHBondContact O-N 2.78Å; G145-L148 WeakPolarHBondContact O-CB 3.42Å; G145-L148 PolarHBondContact O-N 3.12Å; G145-E149 PolarHBondContact O-N 3.2Å
146L96.5Very high95.9Very high100 Ų10059.8 Ų59.852%0.52434%0.337SS..Hα-helixtrans-62.5-38.9175.4-72.6170.8000111.8M142 L143 E149 A150M142-L146 WeakPolarHBondContact O-CB 3.38Å; M142-L146 VanDerWaalsContact O-CG 3.25Å; M142-L146 WeakPolarHBondContact O-CG 3.24Å; M142-L146 PolarHBondContact O-N 3.21Å; L143-L146 PolarHBondContact O-N 3.05Å; L146-E149 PolarHBondContact O-N 3.3Å; L146-A150 WeakPolarHBondContact O-CB 3.5Å; L146-A150 PolarHBondContact O-N 3.05Å
147M96.9Very high95.6Very high119 Ų11961.7 Ų61.759%0.58634%0.344SS*.Hα-helixtrans-62.4-42.8174.4-71.3179.969.300111.9L143 L144 G145 F151L143-M147 WeakPolarHBondContact O-CG 3.34Å; L143-M147 PolarHBondContact O-N 3.45Å; L144-M147 HydrophobicContact CD2-SD 4.43Å; L144-M147 PolarHBondContact O-N 2.69Å; G145-M147 VanDerWaalsContact C-N 3.31Å; G145-M147 PolarHBondContact O-N 2.78Å; M147-F151 WeakPolarHBondContact O-CB 3.41Å; M147-F151 PolarHBondContact O-N 3.25Å
148L95.6Very high95.2Very high37 Ų3762.1 Ų62.119%0.19435%0.351CS..Hα-helixtrans-62.6-46.6176.5178.463.5000111.4F64 H67 L144 G145 F151 I152F64-L148 HydrophobicContact CD1-CD2 4.03Å; F64-L148 HydrophobicContact CE1-CD2 4.21Å; F64-L148 HydrophobicContact CE1-CG 4.47Å; H67-L148 HydrophobicContact CB-CD2 4.11Å; L144-L148 WeakPolarHBondContact O-CB 3.31Å; L144-L148 PolarHBondContact O-N 3.34Å; G145-L148 WeakPolarHBondContact O-CB 3.42Å; G145-L148 PolarHBondContact O-N 3.12Å; L148-F151 PolarHBondContact O-N 3.29Å; L148-I152 HydrophobicContact CD1-CD1 3.89Å; L148-I152 HydrophobicContact CD1-CG1 4.3Å; L148-I152 HydrophobicContact CG-CD1 3.93Å; L148-I152 WeakPolarHBondContact O-CG1 3.31Å; L148-I152 PolarHBondContact O-N 3.43Å
149E95.4Very high94.8Very high101 Ų10160.9 Ų60.947%0.47234%0.344SS..Hα-helixtrans-61.9-44.9178.5-173.8-179.1173.300112.1G145 L146 F151 I152 T153G145-E149 PolarHBondContact O-N 3.2Å; L146-E149 PolarHBondContact O-N 3.3Å; E149-F151 VanDerWaalsContact C-N 3.34Å; E149-F151 PolarHBondContact O-N 2.71Å; E149-I152 PolarHBondContact O-N 3.32Å; E149-T153 WeakPolarHBondContact O-CB 3.28Å; E149-T153 PolarHBondContact O-N 2.92Å; E149-T153 PolarHBondContact O-OG1 2.92Å
150A96.1Very high94.2Very high65 Ų6563.1 Ų63.154%0.53735%0.346SS..Hα-helixtrans-61.4-42.8176.800000111.6L146 G154L146-A150 WeakPolarHBondContact O-CB 3.5Å; L146-A150 PolarHBondContact O-N 3.05Å; A150-G154 PolarHBondContact O-N 2.93Å
151F94.7Very high93.5Very high106 Ų10662 Ų6247%0.46535%0.351SS..Hα-helixtrans-62.9-48176.7177-99.2000112.1W45 L48 M147 L148 E149 T153 G154 A155W45-F151 HydrophobicContact CE3-CE2 4.22Å; W45-F151 HydrophobicContact CE3-CZ 4.31Å; W45-F151 AromaticContact CZ3-CE2 3.96Å; W45-F151 HydrophobicContact CZ3-CE2 3.96Å; W45-F151 HydrophobicContact CZ3-CZ 4.17Å; L48-F151 HydrophobicContact CD2-CE1 3.92Å; L48-F151 HydrophobicContact CD2-CZ 3.78Å; M147-F151 WeakPolarHBondContact O-CB 3.41Å; M147-F151 PolarHBondContact O-N 3.25Å; L148-F151 PolarHBondContact O-N 3.29Å; E149-F151 VanDerWaalsContact C-N 3.34Å; E149-F151 PolarHBondContact O-N 2.71Å; F151-T153 PolarHBondContact O-N 3.16Å; F151-G154 PolarHBondContact O-N 2.71Å; F151-A155 WeakPolarHBondContact O-CB 3.28Å; F151-A155 PolarHBondContact O-N 3.25Å
152I94.6Very high92.4Very high18 Ų1866.5 Ų66.59%0.09237%0.368CS..Hα-helixtrans-61-46.6179.3-72.3173.1000110.5F60 F64 L148 E149 A155 F156F60-I152 HydrophobicContact CB-CD1 4.2Å; F60-I152 HydrophobicContact CB-CG2 4.39Å; F60-I152 HydrophobicContact CD1-CD1 4.24Å; F60-I152 HydrophobicContact CD1-CG1 3.77Å; F60-I152 HydrophobicContact CD1-CG2 4.42Å; F60-I152 HydrophobicContact CD2-CG2 3.65Å; F60-I152 HydrophobicContact CE1-CG1 3.99Å; F60-I152 HydrophobicContact CE2-CG2 3.84Å; F60-I152 HydrophobicContact CG-CD1 4.28Å; F60-I152 HydrophobicContact CG-CG1 4.05Å; F60-I152 HydrophobicContact CG-CG2 3.94Å; F60-I152 HydrophobicContact CZ-CG1 4.44Å; F60-I152 HydrophobicContact CZ-CG2 4.32Å; F64-I152 HydrophobicContact CD2-CD1 4.12Å; F64-I152 HydrophobicContact CE1-CD1 4.22Å; F64-I152 HydrophobicContact CE2-CD1 3.46Å; F64-I152 VanDerWaalsContact CE2-CD1 3.46Å; F64-I152 HydrophobicContact CZ-CD1 3.52Å; L148-I152 HydrophobicContact CD1-CD1 3.89Å; L148-I152 HydrophobicContact CD1-CG1 4.3Å; L148-I152 HydrophobicContact CG-CD1 3.93Å; L148-I152 WeakPolarHBondContact O-CG1 3.31Å; L148-I152 PolarHBondContact O-N 3.43Å; E149-I152 PolarHBondContact O-N 3.32Å; I152-A155 PolarHBondContact O-N 3.12Å; I152-F156 WeakPolarHBondContact O-CB 3.38Å; I152-F156 PolarHBondContact O-N 2.91Å
153T94.4Very high90.8Very high76 Ų7665.3 Ų65.347%0.46636%0.364SS..Hα-helixtrans-62.1-46.1178.5-58.40000111.2E149 F151 A155 F156 V157E149-T153 WeakPolarHBondContact O-CB 3.28Å; E149-T153 PolarHBondContact O-N 2.92Å; E149-T153 PolarHBondContact O-OG1 2.92Å; F151-T153 PolarHBondContact O-N 3.16Å; T153-A155 PolarHBondContact O-N 3.26Å; T153-F156 WeakPolarHBondContact O-CB 3.48Å; T153-F156 PolarHBondContact O-N 3.4Å; T153-V157 WeakPolarHBondContact O-CG2 3.34Å; T153-V157 PolarHBondContact O-N 2.96Å
154G94Very high89.3Confident39 Ų3965 Ų6540%0.40236%0.358SS..Hα-helixtrans-60.5-43.7176.400000112.7A150 F151 A158A150-G154 PolarHBondContact O-N 2.93Å; F151-G154 PolarHBondContact O-N 2.71Å; G154-A158 VanDerWaalsContact O-CB 3.23Å; G154-A158 WeakPolarHBondContact O-CB 3.43Å; G154-A158 PolarHBondContact O-N 2.84Å
155A92.6Very high88Confident1 Ų166.6 Ų66.61%0.00837%0.367CS..Hα-helixtrans-64.5-39.1175.400000112.4W45 L48 M49 M56 F60 F151 I152 T153 K159W45-A155 HydrophobicContact CH2-CB 4.1Å; W45-A155 HydrophobicContact CZ3-CB 3.95Å; L48-A155 HydrophobicContact CD2-CB 4.05Å; M49-A155 HydrophobicContact CE-CB 3.78Å; M49-A155 WeakPolarHBondContact CE-O 3.41Å; M56-A155 HydrophobicContact CE-CB 3.91Å; F60-A155 HydrophobicContact CZ-CB 3.75Å; F151-A155 WeakPolarHBondContact O-CB 3.28Å; F151-A155 PolarHBondContact O-N 3.25Å; I152-A155 PolarHBondContact O-N 3.12Å; T153-A155 PolarHBondContact O-N 3.26Å; A155-K159 WeakPolarHBondContact O-CB 3.33Å; A155-K159 PolarHBondContact O-N 2.98Å
156F92.1Very high87.2Confident80 Ų8067 Ų6735%0.35137%0.369SS..Hα-helixtrans-64-49.4177.1-167.1-93.8000111.5W53 M57 I152 T153 K159 I160W53-F156 HydrophobicContact CE3-CE2 4.4Å; W53-F156 HydrophobicContact CH2-CD2 4.25Å; W53-F156 HydrophobicContact CH2-CE2 4.09Å; W53-F156 HydrophobicContact CH2-CZ 4.42Å; W53-F156 AromaticContact CZ3-CD2 3.71Å; W53-F156 HydrophobicContact CZ3-CD2 3.71Å; W53-F156 AromaticContact CZ3-CE2 3.47Å; W53-F156 HydrophobicContact CZ3-CE2 3.47Å; W53-F156 VanDerWaalsContact CZ3-CE2 3.47Å; W53-F156 HydrophobicContact CZ3-CZ 4.16Å; M57-F156 HydrophobicContact SD-CE2 4.17Å; I152-F156 WeakPolarHBondContact O-CB 3.38Å; I152-F156 PolarHBondContact O-N 2.91Å; T153-F156 WeakPolarHBondContact O-CB 3.48Å; T153-F156 PolarHBondContact O-N 3.4Å; F156-K159 PolarHBondContact O-N 2.75Å; F156-I160 HydrophobicContact CD1-CD1 3.66Å; F156-I160 HydrophobicContact CD1-CG1 4.43Å; F156-I160 HydrophobicContact CE1-CD1 3.26Å; F156-I160 HydrophobicContact CE1-CG1 4.3Å; F156-I160 HydrophobicContact CZ-CD1 3.98Å; F156-I160 WeakPolarHBondContact O-CG1 3.33Å; F156-I160 PolarHBondContact O-N 2.88Å
157V90.6Very high86.5Confident90 Ų9063 Ų6355%0.54535%0.35SS..Hα-helixtrans-60.7-47.1176.1172.70000111T153 K159 I160 A161T153-V157 WeakPolarHBondContact O-CG2 3.34Å; T153-V157 PolarHBondContact O-N 2.96Å; V157-K159 VanDerWaalsContact C-N 3.26Å; V157-K159 PolarHBondContact O-N 3.33Å; V157-I160 PolarHBondContact O-N 3.47Å; V157-A161 WeakPolarHBondContact O-CB 3.29Å; V157-A161 PolarHBondContact O-N 3.44Å
158A89Confident85.9Confident32 Ų3263 Ų6326%0.26435%0.347SS..Hα-helixtrans-58.9-37.8178.200000112.3W45 M49 G154 R162W45-A158 HydrophobicContact CH2-CB 4.26Å; W45-A158 HydrophobicContact CZ2-CB 4.08Å; M49-A158 HydrophobicContact SD-CB 4.14Å; G154-A158 VanDerWaalsContact O-CB 3.23Å; G154-A158 WeakPolarHBondContact O-CB 3.43Å; G154-A158 PolarHBondContact O-N 2.84Å; A158-R162 PolarHBondContact O-N 2.84Å
159K88.4Confident85.5Confident19 Ų1961.4 Ų61.48%0.08334%0.338CS..Hα-helixtrans-73.2-37.7178.3-167.9177.5-167.486.50113.1L48 M49 M51 W53 M56 A155 F156 V157 A161 R162L48-K159 PolarHBondContact O-NZ 3.21Å; M49-K159 PolarHBondContact O-NZ 3.44Å; M49-K159 HydrophobicContact SD-CB 4.12Å; M51-K159 WeakPolarHBondContact O-CE 3.45Å; M51-K159 PolarHBondContact O-NZ 3.38Å; W53-K159 HydrophobicContact CD2-CD 4.16Å; W53-K159 HydrophobicContact CE3-CD 4.15Å; W53-K159 HydrophobicContact CH2-CB 4.04Å; W53-K159 HydrophobicContact CH2-CD 3.77Å; W53-K159 HydrophobicContact CH2-CG 3.97Å; W53-K159 HydrophobicContact CZ2-CB 4.25Å; W53-K159 HydrophobicContact CZ2-CD 3.79Å; W53-K159 HydrophobicContact CZ2-CG 3.78Å; W53-K159 HydrophobicContact CZ3-CD 3.95Å; M56-K159 HydrophobicContact CE-CB 4.26Å; M56-K159 HydrophobicContact CE-CD 3.86Å; M56-K159 HydrophobicContact SD-CD 3.14Å; M56-K159 WeakPolarHBondContact SD-CD 3.46Å; M56-K159 HydrophobicContact SD-CG 4.45Å; A155-K159 WeakPolarHBondContact O-CB 3.33Å; A155-K159 PolarHBondContact O-N 2.98Å; F156-K159 PolarHBondContact O-N 2.75Å; V157-K159 VanDerWaalsContact C-N 3.26Å; V157-K159 PolarHBondContact O-N 3.33Å; K159-A161 VanDerWaalsContact C-N 3.3Å; K159-R162 PolarHBondContact O-N 3.31Å
160I84.9Confident85.3Confident105 Ų10556.6 Ų56.654%0.53832%0.316SS..Hα-helixtrans-64.6-39.5174.1-70.1-179.7000110.7W53 F156 V157 R162W53-I160 HydrophobicContact CH2-CD1 4.44Å; W53-I160 HydrophobicContact CH2-CG1 3.69Å; W53-I160 HydrophobicContact CZ2-CG1 3.97Å; F156-I160 HydrophobicContact CD1-CD1 3.66Å; F156-I160 HydrophobicContact CD1-CG1 4.43Å; F156-I160 HydrophobicContact CE1-CD1 3.26Å; F156-I160 HydrophobicContact CE1-CG1 4.3Å; F156-I160 HydrophobicContact CZ-CD1 3.98Å; F156-I160 WeakPolarHBondContact O-CG1 3.33Å; F156-I160 PolarHBondContact O-N 2.88Å; V157-I160 PolarHBondContact O-N 3.47Å; I160-R162 PolarHBondContact O-N 2.95Å
161A81.1Confident85.2Confident70 Ų7058.4 Ų58.458%0.57931%0.309SS*.Hα-helixtrans-64.5-19.6178.900000113.1V157 K159 P163V157-A161 WeakPolarHBondContact O-CB 3.29Å; V157-A161 PolarHBondContact O-N 3.44Å; K159-A161 VanDerWaalsContact C-N 3.3Å; A161-P163 WeakPolarHBondContact O-CD 3.39Å
162R75.1Confident85.3Confident95 Ų9554 Ų5436%0.35829%0.289SS..  trans-68.6124.7179.6-74.8-174179.5-135.22.9111.5M49 D50 A158 K159 I160 K164M49-R162 VanDerWaalsContact CB-NH2 3.29Å; D50-R162 IonicContact OD1-NH1 2.78Å; A158-R162 PolarHBondContact O-N 2.84Å; K159-R162 PolarHBondContact O-N 3.31Å; I160-R162 PolarHBondContact O-N 2.95Å; R162-K164 HydrophobicContact CB-CG 4.47Å; R162-K164 PolarHBondContact O-N 3.27Å
163P63.8Low85.4Confident30 Ų3053.1 Ų53.120%0.19529%0.285CS..G310 helixtrans-7725.6-176.735.3-41000113.9A161 N165 R166 E280A161-P163 WeakPolarHBondContact O-CD 3.39Å; P163-N165 PolarHBondContact O-N 3.12Å; P163-R166 HydrophobicContact CB-CB 4.22Å; P163-R166 VanDerWaalsContact O-CB 3.29Å; P163-R166 WeakPolarHBondContact O-CB 3.27Å; P163-R166 PolarHBondContact O-N 3.27Å; P163-E280 HydrophobicContact CB-CB 4.48Å; P163-E280 HydrophobicContact CG-CB 4.07Å
164K66.6Low85.4Confident100 Ų10053.6 Ų53.644%0.43529%0.285SS..G310 helixtrans-55.5-32.2-174.2-76.4-174.8176.4178.60112.9D50 R162 F168D50-K164 IonicContact OD1-NZ 3.85Å; D50-K164 PolarHBondContact OD1-NZ 2.98Å; R162-K164 HydrophobicContact CB-CG 4.47Å; R162-K164 PolarHBondContact O-N 3.27Å; K164-F168 WeakPolarHBondContact O-CD2 3.27Å
165N69.1Low85.5Confident115 Ų11553.2 Ų53.262%0.61528%0.275SS*.G310 helixtrans-80.1-17.6179.4-66.4-21.2000113.6P163 F168P163-N165 PolarHBondContact O-N 3.12Å; N165-F168 PolarHBondContact O-N 3.14Å
166R80.8Confident85.7Confident10 Ų1053.1 Ų53.14%0.03827%0.274CS..THydrogen-bonded Turntrans-72-38.5-178.7-173.660.4165.9159-6.2111.6P163 F168 S169 R195 S197 P198 L199 C282P163-R166 HydrophobicContact CB-CB 4.22Å; P163-R166 VanDerWaalsContact O-CB 3.29Å; P163-R166 WeakPolarHBondContact O-CB 3.27Å; P163-R166 PolarHBondContact O-N 3.27Å; R166-F168 PolarHBondContact O-N 2.9Å; R166-F168 VanDerWaalsContact O-N 3.16Å; R166-S169 PolarHBondContact NH1-OG 3.44Å; R166-S169 PolarHBondContact O-N 3.31Å; R166-S169 PolarHBondContact O-OG 2.9Å; R166-R195 VanDerWaalsContact NH1-CB 3.26Å; R166-S197 PolarHBondContact NH1-OG 2.89Å; R166-S197 VanDerWaalsContact NH2-C 3.3Å; R166-S197 PolarHBondContact NH2-O 3.08Å; R166-S197 PolarHBondContact NH2-OG 3.32Å; R166-P198 PolarHBondContact NH2-O 2.89Å; R166-L199 HydrophobicContact CG-CD2 4.26Å; R166-C282 HydrophobicContact CB-CB 4.46Å; R166-C282 HydrophobicContact CG-CB 4.36Å
167A81.6Confident85.8Confident14 Ų1449.3 Ų49.312%0.11626%0.258CS..G310 helixtrans-57.3-31.7176.400000112.7S169 I170 Q283 R284A167-S169 VanDerWaalsContact C-N 3.26Å; A167-S169 PolarHBondContact O-N 3.36Å; A167-I170 WeakPolarHBondContact O-CB 2.94Å; A167-I170 PolarHBondContact O-N 3.48Å; A167-I170 VanDerWaalsContact O-N 3.11Å; A167-Q283 WeakPolarHBondContact CB-O 3.32Å; A167-R284 VanDerWaalsContact O-CD 3.31Å; A167-R284 WeakPolarHBondContact O-CD 3.04Å
168F83.1Confident86Confident121 Ų12145.6 Ų45.653%0.53124%0.235SC..G310 helixtrans-72-13.7177.7-68.3-81.2000114.2K164 N165 R166 I170K164-F168 WeakPolarHBondContact O-CD2 3.27Å; N165-F168 PolarHBondContact O-N 3.14Å; R166-F168 PolarHBondContact O-N 2.9Å; R166-F168 VanDerWaalsContact O-N 3.16Å; F168-I170 PolarHBondContact O-N 2.87Å
169S87.5Confident86.2Confident2 Ų244.2 Ų44.21%0.01422%0.224CC..G310 helixtrans-79.1-5169.768.90000113.2R166 A167 T194R166-S169 PolarHBondContact NH1-OG 3.44Å; R166-S169 PolarHBondContact O-N 3.31Å; R166-S169 PolarHBondContact O-OG 2.9Å; A167-S169 VanDerWaalsContact C-N 3.26Å; A167-S169 PolarHBondContact O-N 3.36Å; S169-T194 WeakPolarHBondContact CA-OG1 3.48Å; S169-T194 PolarHBondContact O-N 3.46Å; S169-T194 PolarHBondContact O-OG1 2.94Å; S169-T194 VanDerWaalsContact O-OG1 3.07Å
170I92.1Very high86.3Confident1 Ų147.2 Ų47.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-95.5114.9175.7-53.4178.3000107.6A167 F168 V191 A192 L199 F237 L271 R284A167-I170 WeakPolarHBondContact O-CB 2.94Å; A167-I170 PolarHBondContact O-N 3.48Å; A167-I170 VanDerWaalsContact O-N 3.11Å; F168-I170 PolarHBondContact O-N 2.87Å; I170-V191 HydrophobicContact CG2-CG2 3.51Å; I170-A192 WeakPolarHBondContact CA-O 3.33Å; I170-L199 HydrophobicContact CD1-CD1 3.62Å; I170-L199 HydrophobicContact CG1-CD1 3.76Å; I170-F237 HydrophobicContact CG2-CE1 4.33Å; I170-L271 HydrophobicContact CD1-CD2 3.64Å; I170-L271 HydrophobicContact CG2-CD1 4.05Å; I170-L271 HydrophobicContact CG2-CD2 4.17Å; I170-R284 HydrophobicContact CB-CB 4.05Å; I170-R284 HydrophobicContact CB-CG 4.14Å; I170-R284 HydrophobicContact CD1-CB 4.36Å; I170-R284 HydrophobicContact CG2-CB 4.15Å; I170-R284 HydrophobicContact CG2-CG 4.31Å; I170-R284 PolarHBondContact O-NE 2.82Å
171R93.3Very high86.3Confident102 Ų10245.1 Ų45.139%0.38523%0.227SC..EExtended strand (participates in β ladder)trans-110.4125.4179.3-176.7-179.4175.51430.9109.7D174 V191 A192 T194 F318 D319R171-D174 IonicContact NH2-OD2 3.15Å; R171-V191 CarbonylContact O-C 3.49Å; R171-V191 VanDerWaalsContact O-CA 3.31Å; R171-V191 WeakPolarHBondContact O-CA 3.3Å; R171-A192 PolarHBondContact N-O 3.43Å; R171-A192 PolarHBondContact O-N 3.39Å; R171-T194 HydrophobicContact CB-CG2 4.1Å; R171-F318 HydrophobicContact CB-CE1 4.49Å; R171-F318 HydrophobicContact CG-CE1 3.91Å; R171-F318 WeakPolarHBondContact O-CZ 3.44Å; R171-D319 IonicContact CZ-OD2 3.68Å; R171-D319 IonicContact NE-OD2 2.69Å; R171-D319 IonicContact NH2-OD1 3.74Å; R171-D319 IonicContact NH2-OD2 3.18Å; R171-D319 PolarHBondContact NH2-OD2 3.2Å
172F96.1Very high86.4Confident13 Ų1349.4 Ų49.46%0.05724%0.24CC..EExtended strand (participates in β ladder)trans-88.5156.5166.3-69.9-84.1000110.1F189 Q190 V191 V269 L271 R284 T286F172-F189 HydrophobicContact CD1-CD2 4.13Å; F172-F189 HydrophobicContact CD1-CE2 4.16Å; F172-F189 HydrophobicContact CE1-CD2 4.49Å; F172-F189 HydrophobicContact CE1-CE2 4.06Å; F172-Q190 WeakPolarHBondContact CA-O 3.39Å; F172-V191 HydrophobicContact CD1-CB 4.1Å; F172-V191 HydrophobicContact CD1-CG2 4.03Å; F172-V191 HydrophobicContact CE1-CB 4.28Å; F172-V191 HydrophobicContact CE1-CG2 4.05Å; F172-V191 HydrophobicContact CG-CG2 4.43Å; F172-V191 HydrophobicContact CZ-CG2 4.47Å; F172-V269 HydrophobicContact CE1-CG1 3.88Å; F172-V269 HydrophobicContact CZ-CG1 4.3Å; F172-L271 HydrophobicContact CE1-CB 4.28Å; F172-L271 HydrophobicContact CE2-CB 4.41Å; F172-L271 HydrophobicContact CZ-CB 3.56Å; F172-L271 HydrophobicContact CZ-CD1 4.35Å; F172-R284 HydrophobicContact CD2-CG 4.16Å; F172-R284 HydrophobicContact CE2-CB 4.09Å; F172-R284 HydrophobicContact CE2-CG 3.72Å; F172-T286 HydrophobicContact CB-CG2 3.75Å; F172-T286 HydrophobicContact CD1-CG2 3.76Å; F172-T286 HydrophobicContact CD2-CG2 3.6Å; F172-T286 HydrophobicContact CE1-CG2 4.18Å; F172-T286 HydrophobicContact CE2-CG2 4.03Å; F172-T286 HydrophobicContact CG-CG2 3.43Å; F172-T286 VanDerWaalsContact CG-CG2 3.43Å; F172-T286 HydrophobicContact CZ-CG2 4.28Å
173T96.3Very high86.9Confident1 Ų148.1 Ų48.11%0.00626%0.256CS..  trans-62.1145.716949.40000111.1T175 Q190 Y288 F299 F318 D319T173-T175 VanDerWaalsContact C-N 3.28Å; T173-T175 WeakPolarHBondContact CB-O 3.25Å; T173-T175 PolarHBondContact O-N 3.34Å; T173-T175 PolarHBondContact OG1-O 2.68Å; T173-Q190 HydrophobicContact CG2-CB 3.58Å; T173-Q190 HydrophobicContact CG2-CG 4.24Å; T173-Q190 PolarHBondContact N-O 3.45Å; T173-Q190 PolarHBondContact OG1-N 3.41Å; T173-Y288 WeakPolarHBondContact O-CE1 3.37Å; T173-Y288 PolarHBondContact O-OH 2.95Å; T173-F299 HydrophobicContact CG2-CD1 4.46Å; T173-F299 HydrophobicContact CG2-CE1 3.75Å; T173-F299 HydrophobicContact CG2-CZ 3.97Å; T173-F318 HydrophobicContact CG2-CD1 4.11Å; T173-F318 HydrophobicContact CG2-CE1 3.7Å; T173-F318 HydrophobicContact CG2-CE2 4.19Å; T173-F318 HydrophobicContact CG2-CZ 3.74Å; T173-F318 WeakPolarHBondContact CG2-O 3.3Å; T173-D319 WeakPolarHBondContact CA-OD1 3.15Å
174D95.1Very high88Confident85 Ų8553.1 Ų53.146%0.45528%0.275SS..SBendtrans-67.6-33.5-179.6-69.2-31.3000111.7K23 R171 D319K23-D174 VanDerWaalsContact CE-O 3.26Å; K23-D174 WeakPolarHBondContact CE-O 3.32Å; K23-D174 PolarHBondContact NZ-O 3.09Å; R171-D174 IonicContact NH2-OD2 3.15Å; D174-D319 PolarHBondContact N-OD1 3.49Å
175T96Very high89.2Confident31 Ų3150.4 Ų50.419%0.1927%0.268CS..SBendtrans-117.5155.9174.956.20000111.4T173 E292 M294T173-T175 VanDerWaalsContact C-N 3.28Å; T173-T175 WeakPolarHBondContact CB-O 3.25Å; T173-T175 PolarHBondContact O-N 3.34Å; T173-T175 PolarHBondContact OG1-O 2.68Å; T175-E292 WeakPolarHBondContact CA-O 3.32Å; T175-E292 WeakPolarHBondContact CB-O 3.49Å; T175-M294 HydrophobicContact CG2-CG 4.47Å; T175-M294 HydrophobicContact CG2-SD 4.46Å
176A96.6Very high90.4Very high0 Ų045.4 Ų45.40%024%0.241CC..EExtended strand (participates in β ladder)trans-102156.9162.200000108.8L187 I188 F189 Y288 E292 I293 M294A176-L187 HydrophobicContact CB-CD1 3.89Å; A176-I188 CarbonylContact C-O 3.52Å; A176-I188 VanDerWaalsContact CA-O 3.32Å; A176-I188 WeakPolarHBondContact CA-O 3.47Å; A176-I188 WeakPolarHBondContact CB-O 3.34Å; A176-F189 HydrophobicContact CB-CB 4.34Å; A176-Y288 HydrophobicContact CB-CD1 3.87Å; A176-Y288 HydrophobicContact CB-CD2 4.41Å; A176-Y288 HydrophobicContact CB-CE1 4.08Å; A176-Y288 HydrophobicContact CB-CG 4.06Å; A176-E292 PolarHBondContact N-O 2.91Å; A176-I293 HydrophobicContact CB-CG1 4.27Å; A176-I293 CarbonylContact O-C 3.58Å; A176-I293 WeakPolarHBondContact O-CA 3.24Å; A176-M294 PolarHBondContact O-N 2.98Å
177V95.5Very high91.1Very high0 Ų044.9 Ų44.90%024%0.239CC..EExtended strand (participates in β ladder)trans-128.1150.6-179.4-55.90000111.1L187 I188 M294 H297 F299 T321V177-L187 CarbonylContact O-C 3.54Å; V177-I188 HydrophobicContact CG2-CB 3.9Å; V177-I188 HydrophobicContact CG2-CD1 4.43Å; V177-I188 HydrophobicContact CG2-CG1 4.48Å; V177-I188 PolarHBondContact N-O 2.9Å; V177-I188 PolarHBondContact O-N 3.49Å; V177-M294 CarbonylContact C-O 3.58Å; V177-M294 VanDerWaalsContact CA-O 3.32Å; V177-M294 WeakPolarHBondContact CA-O 3.35Å; V177-M294 HydrophobicContact CG1-CB 4.37Å; V177-M294 HydrophobicContact CG1-CE 4.39Å; V177-H297 HydrophobicContact CB-CB 4.24Å; V177-H297 WeakPolarHBondContact CB-O 3.38Å; V177-H297 HydrophobicContact CG1-CB 4.12Å; V177-H297 WeakPolarHBondContact CG2-O 3.32Å; V177-F299 HydrophobicContact CB-CE2 4.47Å; V177-F299 HydrophobicContact CG1-CE1 4.25Å; V177-F299 HydrophobicContact CG1-CE2 4.29Å; V177-F299 HydrophobicContact CG1-CZ 4.03Å; V177-F299 HydrophobicContact CG2-CD2 3.72Å; V177-F299 HydrophobicContact CG2-CE2 3.51Å; V177-F299 HydrophobicContact CG2-CG 4.47Å; V177-F299 HydrophobicContact CG2-CZ 4.1Å; V177-T321 HydrophobicContact CG1-CG2 3.5Å; V177-T321 VanDerWaalsContact CG1-CG2 3.5Å
178V94.3Very high91.7Very high11 Ų1144.7 Ų44.77%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-110.1114170.6-178.30000108.4P185 N186 L187 I247 L257 I293 M294 L295 H296 H297V178-P185 HydrophobicContact CG1-CB 4.15Å; V178-N186 VanDerWaalsContact CA-O 3.3Å; V178-N186 WeakPolarHBondContact CA-O 3.46Å; V178-L187 HydrophobicContact CG2-CD1 3.8Å; V178-I247 HydrophobicContact CG1-CD1 3.88Å; V178-I247 HydrophobicContact CG2-CD1 4.26Å; V178-L257 HydrophobicContact CG2-CD1 4.12Å; V178-I293 HydrophobicContact CG2-CG2 3.81Å; V178-M294 PolarHBondContact N-O 3.44Å; V178-L295 HydrophobicContact CB-CD2 3.89Å; V178-L295 HydrophobicContact CG1-CD2 4.46Å; V178-L295 HydrophobicContact CG2-CD2 3.71Å; V178-H296 WeakPolarHBondContact O-CA 3.43Å; V178-H296 PolarHBondContact O-N 3.44Å; V178-H297 CarbonylContact C-O 3.55Å; V178-H297 PolarHBondContact O-N 2.83Å
179A92.7Very high92.4Very high4 Ų438.9 Ų38.93%0.03321%0.211CC..EExtended strand (participates in β ladder)trans-124.5158.617800000110.8N186 I188 H297 C298A179-N186 PolarHBondContact N-O 3.09Å; A179-N186 VanDerWaalsContact N-O 3.1Å; A179-N186 PolarHBondContact O-N 3.22Å; A179-I188 HydrophobicContact CB-CD1 3.74Å; A179-H297 WeakPolarHBondContact CB-O 3.12Å; A179-C298 HydrophobicContact CB-CB 4.16Å
180H90.5Very high92.7Very high82 Ų8239.5 Ų39.538%0.3821%0.213SC..EExtended strand (participates in β ladder)trans-92.2120.3176.1-65.176.3000110.7K184 E324H180-K184 WeakPolarHBondContact CA-O 3.32Å; H180-E324 WeakPolarHBondContact CB-OE1 3.39Å; H180-E324 IonicContact CG-OE2 2.82Å; H180-E324 PolarHBondContact N-OE1 3.38Å; H180-E324 PolarHBondContact N-OE2 3.31Å; H180-E324 IonicContact ND1-OE1 3.71Å; H180-E324 IonicContact ND1-OE2 3.4Å; H180-E324 PolarHBondContact ND1-OE2 3.23Å
181I85.3Confident92.9Very high61 Ų6139.4 Ų39.431%0.31321%0.213SC..EExtended strand (participates in β ladder)trans-119.2123.3174.2-55.9172000106.6G183 K184 N186 I188 Y244I181-G183 PolarHBondContact O-N 2.86Å; I181-G183 VanDerWaalsContact O-N 3.16Å; I181-K184 PolarHBondContact N-O 3.29Å; I181-K184 PolarHBondContact O-N 3.23Å; I181-N186 HydrophobicContact CD1-CB 4.22Å; I181-I188 HydrophobicContact CD1-CD1 4Å; I181-Y244 HydrophobicContact CD1-CD1 3.38Å; I181-Y244 HydrophobicContact CD1-CE1 3.27Å
182D84.2Confident92.9Very high159 Ų15934.7 Ų34.785%0.8520%0.195SC*.THydrogen-bonded Turntrans51.137-172.9-57.5-39000113.3K184D182-K184 PolarHBondContact O-N 3.02Å
183G84.1Confident92.7Very high68 Ų6834.8 Ų34.870%0.70120%0.197SC*.THydrogen-bonded Turntrans745.3-179.500000115I181I181-G183 PolarHBondContact O-N 2.86Å; I181-G183 VanDerWaalsContact O-N 3.16Å
184K87.9Confident92.3Very high135 Ų13538.7 Ų38.759%0.58722%0.221SC*.EExtended strand (participates in β ladder)trans-106.2135.6175.8-63.8176.8-175.5172.20110.3H180 I181 D182 N186H180-K184 WeakPolarHBondContact CA-O 3.32Å; I181-K184 PolarHBondContact N-O 3.29Å; I181-K184 PolarHBondContact O-N 3.23Å; D182-K184 PolarHBondContact O-N 3.02Å; K184-N186 PolarHBondContact O-N 2.93Å; K184-N186 PolarHBondContact O-ND2 3.25Å
185P92Very high91.9Very high43 Ų4340.9 Ų40.928%0.27922%0.222SC..EExtended strand (participates in β ladder)trans-69.3129.7174.527.8-32.3000110V178 I247V178-P185 HydrophobicContact CG1-CB 4.15Å; P185-I247 HydrophobicContact CB-CB 4.43Å; P185-I247 HydrophobicContact CB-CD1 4.33Å; P185-I247 HydrophobicContact CG-CB 4.16Å; P185-I247 WeakPolarHBondContact O-CB 3.39Å; P185-I247 PolarHBondContact O-N 2.99Å
186N93.4Very high91.2Very high10 Ų1045.5 Ų45.55%0.05325%0.253CS..EExtended strand (participates in β ladder)trans-125134.5176.7-69.6-90.5000109.2V178 A179 I181 K184 I188 Y244 H245 S246V178-N186 VanDerWaalsContact CA-O 3.3Å; V178-N186 WeakPolarHBondContact CA-O 3.46Å; A179-N186 PolarHBondContact N-O 3.09Å; A179-N186 VanDerWaalsContact N-O 3.1Å; A179-N186 PolarHBondContact O-N 3.22Å; I181-N186 HydrophobicContact CD1-CB 4.22Å; K184-N186 PolarHBondContact O-N 2.93Å; K184-N186 PolarHBondContact O-ND2 3.25Å; N186-I188 HydrophobicContact CB-CG1 4.3Å; N186-I188 WeakPolarHBondContact O-CG1 3.4Å; N186-Y244 HydrophobicContact CB-CD1 4.48Å; N186-H245 CarbonylContact C-O 3.48Å; N186-H245 VanDerWaalsContact CA-O 3.29Å; N186-H245 WeakPolarHBondContact CA-O 2.88Å; N186-S246 WeakPolarHBondContact OD1-CA 3.31Å; N186-S246 WeakPolarHBondContact OD1-CB 3.25Å; N186-S246 PolarHBondContact OD1-N 3.45Å; N186-S246 PolarHBondContact OD1-OG 3.18Å
187L95.3Very high90.8Very high0 Ų048 Ų480%027%0.271CS..EExtended strand (participates in β ladder)trans-83.3130.4167.8179.166.8000109A176 V177 V178 F224 Y244 H245 I247 L253 L267 I293A176-L187 HydrophobicContact CB-CD1 3.89Å; V177-L187 CarbonylContact O-C 3.54Å; V178-L187 HydrophobicContact CG2-CD1 3.8Å; L187-F224 HydrophobicContact CD2-CE1 4.5Å; L187-F224 HydrophobicContact CD2-CZ 3.98Å; L187-F224 HydrophobicContact CG-CE1 4.47Å; L187-F224 HydrophobicContact CG-CZ 4.42Å; L187-Y244 CarbonylContact O-C 3.56Å; L187-Y244 WeakPolarHBondContact O-CA 3.41Å; L187-H245 HydrophobicContact CB-CB 4.38Å; L187-H245 PolarHBondContact N-O 3.48Å; L187-H245 PolarHBondContact O-N 3Å; L187-I247 HydrophobicContact CB-CD1 4.24Å; L187-I247 HydrophobicContact CB-CG1 4.48Å; L187-L253 HydrophobicContact CD2-CD1 3.6Å; L187-L267 HydrophobicContact CD2-CD2 3.56Å; L187-I293 HydrophobicContact CD1-CG1 4.48Å; L187-I293 HydrophobicContact CD1-CG2 3.64Å
188I95.4Very high90.4Very high9 Ų948.7 Ų48.75%0.04628%0.275CS..EExtended strand (participates in β ladder)trans-132.2136.4-168.1-43.7175.8000109.7A176 V177 A179 I181 N186 T242 Y243 Y244 F299A176-I188 CarbonylContact C-O 3.52Å; A176-I188 VanDerWaalsContact CA-O 3.32Å; A176-I188 WeakPolarHBondContact CA-O 3.47Å; A176-I188 WeakPolarHBondContact CB-O 3.34Å; V177-I188 HydrophobicContact CG2-CB 3.9Å; V177-I188 HydrophobicContact CG2-CD1 4.43Å; V177-I188 HydrophobicContact CG2-CG1 4.48Å; V177-I188 PolarHBondContact N-O 2.9Å; V177-I188 PolarHBondContact O-N 3.49Å; A179-I188 HydrophobicContact CB-CD1 3.74Å; I181-I188 HydrophobicContact CD1-CD1 4Å; N186-I188 HydrophobicContact CB-CG1 4.3Å; N186-I188 WeakPolarHBondContact O-CG1 3.4Å; I188-T242 HydrophobicContact CG2-CG2 3.31Å; I188-Y243 WeakPolarHBondContact CA-O 3.14Å; I188-Y244 HydrophobicContact CB-CD1 4.36Å; I188-Y244 HydrophobicContact CD1-CD1 3.8Å; I188-Y244 HydrophobicContact CD1-CE1 3.69Å; I188-Y244 HydrophobicContact CG1-CD1 3.63Å; I188-Y244 HydrophobicContact CG1-CE1 3.95Å; I188-Y244 HydrophobicContact CG2-CD1 3.96Å; I188-Y244 HydrophobicContact CG2-CE1 3.77Å; I188-F299 HydrophobicContact CB-CE2 4.22Å; I188-F299 HydrophobicContact CG2-CD2 4.07Å; I188-F299 HydrophobicContact CG2-CE2 3.97Å
189F96.4Very high90.2Very high0 Ų048.2 Ų48.20%027%0.272CS..EExtended strand (participates in β ladder)trans-141.2161.9163.264.7-95.5000109.8F172 A176 V204 F224 Y243 V269 Y288F172-F189 HydrophobicContact CD1-CD2 4.13Å; F172-F189 HydrophobicContact CD1-CE2 4.16Å; F172-F189 HydrophobicContact CE1-CD2 4.49Å; F172-F189 HydrophobicContact CE1-CE2 4.06Å; A176-F189 HydrophobicContact CB-CB 4.34Å; F189-V204 HydrophobicContact CZ-CG1 3.99Å; F189-F224 HydrophobicContact CD1-CD1 4.18Å; F189-F224 AromaticContact CD1-CE1 3.74Å; F189-F224 HydrophobicContact CD1-CE1 3.74Å; F189-F224 HydrophobicContact CD1-CZ 4.16Å; F189-F224 AromaticContact CE1-CD1 3.44Å; F189-F224 HydrophobicContact CE1-CD1 3.44Å; F189-F224 VanDerWaalsContact CE1-CD1 3.44Å; F189-F224 HydrophobicContact CE1-CD2 4.19Å; F189-F224 AromaticContact CE1-CE1 3.33Å; F189-F224 HydrophobicContact CE1-CE1 3.33Å; F189-F224 HydrophobicContact CE1-CE2 4.09Å; F189-F224 AromaticContact CE1-CG 3.88Å; F189-F224 HydrophobicContact CE1-CG 3.88Å; F189-F224 AromaticContact CE1-CZ 3.67Å; F189-F224 HydrophobicContact CE1-CZ 3.67Å; F189-F224 HydrophobicContact CZ-CD1 4.14Å; F189-F224 HydrophobicContact CZ-CE1 4.42Å; F189-F224 HydrophobicContact CZ-CG 4.3Å; F189-Y243 AromaticContact CE2-CD2 3.9Å; F189-Y243 HydrophobicContact CE2-CD2 3.9Å; F189-Y243 HydrophobicContact CE2-CG 4.09Å; F189-Y243 HydrophobicContact CZ-CD2 4.31Å; F189-Y243 HydrophobicContact CZ-CG 4.04Å; F189-Y243 PolarHBondContact N-O 3.31Å; F189-Y243 PolarHBondContact O-N 2.92Å; F189-V269 HydrophobicContact CE1-CG1 4.1Å; F189-V269 HydrophobicContact CE1-CG2 4.01Å; F189-V269 HydrophobicContact CE2-CG1 4.02Å; F189-V269 HydrophobicContact CZ-CG1 3.56Å; F189-V269 HydrophobicContact CZ-CG2 4.31Å; F189-Y288 HydrophobicContact CB-CE2 4.29Å; F189-Y288 WeakPolarHBondContact CB-OH 3.38Å; F189-Y288 HydrophobicContact CD1-CE2 4.28Å; F189-Y288 HydrophobicContact CG-CE2 4.23Å
190Q95.2Very high90.2Very high14 Ų1449.1 Ų49.17%0.06528%0.277CS..EExtended strand (participates in β ladder)trans-116.8154.6177.7-52.2177.6-4000111F172 T173 L241 T242 F299 F318F172-Q190 WeakPolarHBondContact CA-O 3.39Å; T173-Q190 HydrophobicContact CG2-CB 3.58Å; T173-Q190 HydrophobicContact CG2-CG 4.24Å; T173-Q190 PolarHBondContact N-O 3.45Å; T173-Q190 PolarHBondContact OG1-N 3.41Å; Q190-L241 CarbonylContact C-O 3.58Å; Q190-L241 VanDerWaalsContact CA-O 3.3Å; Q190-L241 WeakPolarHBondContact CA-O 3.4Å; Q190-T242 HydrophobicContact CG-CG2 4.02Å; Q190-T242 PolarHBondContact NE2-OG1 3.3Å; Q190-F299 HydrophobicContact CG-CD2 3.81Å; Q190-F299 HydrophobicContact CG-CE2 3.98Å; Q190-F299 HydrophobicContact CG-CG 4.15Å; Q190-F299 HydrophobicContact CG-CZ 4.47Å; Q190-F318 HydrophobicContact CB-CE2 3.75Å; Q190-F318 HydrophobicContact CB-CZ 4.15Å; Q190-F318 PolarHBondContact OE1-O 3.12Å
191V94.9Very high90.1Very high0 Ų047 Ų470%027%0.272CS..EExtended strand (participates in β ladder)trans-135.813417664.90000109.9I170 R171 F172 F237 P240 L241 Y243 L271I170-V191 HydrophobicContact CG2-CG2 3.51Å; R171-V191 CarbonylContact O-C 3.49Å; R171-V191 VanDerWaalsContact O-CA 3.31Å; R171-V191 WeakPolarHBondContact O-CA 3.3Å; F172-V191 HydrophobicContact CD1-CB 4.1Å; F172-V191 HydrophobicContact CD1-CG2 4.03Å; F172-V191 HydrophobicContact CE1-CB 4.28Å; F172-V191 HydrophobicContact CE1-CG2 4.05Å; F172-V191 HydrophobicContact CG-CG2 4.43Å; F172-V191 HydrophobicContact CZ-CG2 4.47Å; V191-F237 HydrophobicContact CB-CZ 4.44Å; V191-F237 HydrophobicContact CG1-CE2 4.46Å; V191-F237 HydrophobicContact CG1-CZ 4.09Å; V191-F237 HydrophobicContact CG2-CE1 4.44Å; V191-F237 HydrophobicContact CG2-CZ 3.98Å; V191-F237 WeakPolarHBondContact O-CE2 3.4Å; V191-P240 CarbonylContact O-C 3.57Å; V191-P240 VanDerWaalsContact O-CA 3.24Å; V191-P240 WeakPolarHBondContact O-CA 3.34Å; V191-L241 HydrophobicContact CG1-CB 3.9Å; V191-L241 PolarHBondContact N-O 3.43Å; V191-L241 PolarHBondContact O-N 2.91Å; V191-Y243 HydrophobicContact CG1-CD2 3.99Å; V191-Y243 HydrophobicContact CG1-CE2 3.65Å; V191-L271 HydrophobicContact CB-CD1 4.2Å; V191-L271 HydrophobicContact CG1-CD1 3.88Å; V191-L271 HydrophobicContact CG2-CD1 3.48Å; V191-L271 VanDerWaalsContact CG2-CD1 3.48Å
192A93.4Very high90.4Very high2 Ų244.1 Ų44.12%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-125.8141.7-177.800000111.6I170 R171 P240 M315 F318I170-A192 WeakPolarHBondContact CA-O 3.33Å; R171-A192 PolarHBondContact N-O 3.43Å; R171-A192 PolarHBondContact O-N 3.39Å; A192-P240 HydrophobicContact CB-CB 4.23Å; A192-P240 HydrophobicContact CB-CG 4.03Å; A192-M315 HydrophobicContact CB-CE 3.84Å; A192-M315 HydrophobicContact CB-SD 4.26Å; A192-F318 HydrophobicContact CB-CD2 4.06Å; A192-F318 HydrophobicContact CB-CE1 4.47Å; A192-F318 HydrophobicContact CB-CE2 3.49Å; A192-F318 VanDerWaalsContact CB-CE2 3.49Å; A192-F318 HydrophobicContact CB-CZ 3.72Å
193N91.8Very high90.8Very high16 Ų1643.7 Ų43.79%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-89.8113.3166-17911.3000108.1R195 S197 F237N193-R195 VanDerWaalsContact C-N 3.27Å; N193-R195 VanDerWaalsContact CG-O 3.31Å; N193-R195 PolarHBondContact ND2-O 3.34Å; N193-R195 PolarHBondContact O-N 3.49Å; N193-R195 PolarHBondContact OD1-N 2.91Å; N193-R195 VanDerWaalsContact OD1-N 3.17Å; N193-R195 PolarHBondContact OD1-O 3Å; N193-S197 PolarHBondContact ND2-O 3.21Å; N193-F237 HydrophobicContact CB-CD1 4.04Å; N193-F237 HydrophobicContact CB-CD2 4.32Å; N193-F237 HydrophobicContact CB-CE1 3.84Å; N193-F237 HydrophobicContact CB-CE2 4.14Å; N193-F237 HydrophobicContact CB-CG 4.28Å; N193-F237 HydrophobicContact CB-CZ 3.91Å; N193-F237 PolarHBondContact ND2-O 3.33Å
194T88.4Confident91.2Very high83 Ų8341.7 Ų41.751%0.50922%0.217SC..  trans-83.8-4.4-178.164.10000113.2S169 R171 M315S169-T194 WeakPolarHBondContact CA-OG1 3.48Å; S169-T194 PolarHBondContact O-N 3.46Å; S169-T194 PolarHBondContact O-OG1 2.94Å; S169-T194 VanDerWaalsContact O-OG1 3.07Å; R171-T194 HydrophobicContact CB-CG2 4.1Å; T194-M315 HydrophobicContact CG2-CE 4.5Å
195R87.1Confident91.5Very high131 Ų13138.3 Ų38.349%0.49421%0.211SC..SBendtrans-106.9148.1176.8-78.8-178-173.3-131.34110.6R166 N193 S197R166-R195 VanDerWaalsContact NH1-CB 3.26Å; N193-R195 VanDerWaalsContact C-N 3.27Å; N193-R195 VanDerWaalsContact CG-O 3.31Å; N193-R195 PolarHBondContact ND2-O 3.34Å; N193-R195 PolarHBondContact O-N 3.49Å; N193-R195 PolarHBondContact OD1-N 2.91Å; N193-R195 VanDerWaalsContact OD1-N 3.17Å; N193-R195 PolarHBondContact OD1-O 3Å; R195-S197 VanDerWaalsContact C-N 3.33Å; R195-S197 PolarHBondContact O-N 3.33Å
196P82Confident91.6Very high128 Ų12836.2 Ų36.283%0.83120%0.197SC*.SBendtrans-70.6-27.6-177.927.9-35.3000113.3
197S87.1Confident91.7Very high53 Ų5337.9 Ų37.937%0.37121%0.205SC..SBendtrans-65131174.144.70000109.2R166 N193 R195R166-S197 PolarHBondContact NH1-OG 2.89Å; R166-S197 VanDerWaalsContact NH2-C 3.3Å; R166-S197 PolarHBondContact NH2-O 3.08Å; R166-S197 PolarHBondContact NH2-OG 3.32Å; N193-S197 PolarHBondContact ND2-O 3.21Å; R195-S197 VanDerWaalsContact C-N 3.33Å; R195-S197 PolarHBondContact O-N 3.33Å
198P87.1Confident91.7Very high14 Ų1438 Ų389%0.09121%0.206CC..  trans-72.9163.6-17831.7-36.7000111.3R166 F236 I238 E276R166-P198 PolarHBondContact NH2-O 2.89Å; P198-F236 HydrophobicContact CB-CD2 4.02Å; P198-F236 HydrophobicContact CB-CE2 3.36Å; P198-F236 HydrophobicContact CB-CZ 3.74Å; P198-F236 HydrophobicContact CG-CE2 3.64Å; P198-F236 HydrophobicContact CG-CZ 3.98Å; P198-I238 HydrophobicContact CB-CD1 4.15Å; P198-I238 HydrophobicContact CB-CG1 3.71Å; P198-E276 WeakPolarHBondContact CD-OE2 3.36Å; P198-E276 HydrophobicContact CG-CB 4.25Å; P198-E276 WeakPolarHBondContact CG-OE2 3.39Å
199L91.1Very high91.5Very high0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-117.4145.5165.1-68.5170.5000107.7R166 I170 F237 A273 M274 Q275R166-L199 HydrophobicContact CG-CD2 4.26Å; I170-L199 HydrophobicContact CD1-CD1 3.62Å; I170-L199 HydrophobicContact CG1-CD1 3.76Å; L199-F237 HydrophobicContact CB-CB 4.17Å; L199-F237 HydrophobicContact CB-CD1 4.09Å; L199-F237 HydrophobicContact CD1-CD1 3.96Å; L199-F237 HydrophobicContact CD1-CE1 4.35Å; L199-F237 PolarHBondContact N-O 3.48Å; L199-F237 WeakPolarHBondContact O-CB 3.23Å; L199-F237 PolarHBondContact O-N 2.87Å; L199-A273 HydrophobicContact CB-CB 4.06Å; L199-A273 HydrophobicContact CD1-CB 4.11Å; L199-A273 HydrophobicContact CG-CB 4.49Å; L199-M274 CarbonylContact C-O 3.55Å; L199-M274 WeakPolarHBondContact CA-O 3.28Å; L199-Q275 HydrophobicContact CD2-CB 4.24Å
200T90.8Very high91.2Very high24 Ų2441.1 Ų41.115%0.14722%0.219CC..EExtended strand (participates in β ladder)trans-114.8167.7178.956.70000110V202 P235 F236 M274T200-V202 VanDerWaalsContact C-N 3.35Å; T200-V202 PolarHBondContact O-N 2.96Å; T200-P235 WeakPolarHBondContact CA-O 3.35Å; T200-P235 WeakPolarHBondContact CB-O 3.45Å; T200-F236 HydrophobicContact CG2-CD2 4.24Å; T200-M274 PolarHBondContact N-O 3.5Å; T200-M274 PolarHBondContact O-N 3.43Å; T200-M274 WeakPolarHBondContact OG1-CE 3.39Å; T200-M274 PolarHBondContact OG1-O 3.15Å
201S89.8Confident90.6Very high38 Ų3844.6 Ų44.627%0.26624%0.236SC..EExtended strand (participates in β ladder)trans52.549.1173.7-66.10000114.3R203 E233 C234S201-R203 PolarHBondContact O-N 3.32Å; S201-E233 WeakPolarHBondContact CA-OE1 3.45Å; S201-E233 WeakPolarHBondContact CB-OE1 3.46Å; S201-E233 PolarHBondContact OG-OE1 3.15Å; S201-C234 PolarHBondContact N-O 2.96Å
202V91.3Very high90Very high0 Ų050.8 Ų50.80%026%0.259CS..EExtended strand (participates in β ladder)trans-79.8121.8-177.2-172.80000110T200 E233 C234 F237 L241 L271 S272 A273T200-V202 VanDerWaalsContact C-N 3.35Å; T200-V202 PolarHBondContact O-N 2.96Å; V202-E233 WeakPolarHBondContact O-CA 3.45Å; V202-C234 HydrophobicContact CB-CB 4.05Å; V202-C234 PolarHBondContact N-O 3.37Å; V202-C234 PolarHBondContact O-N 3.34Å; V202-F237 HydrophobicContact CG2-CB 3.45Å; V202-F237 VanDerWaalsContact CG2-CB 3.45Å; V202-F237 HydrophobicContact CG2-CD1 3.89Å; V202-F237 HydrophobicContact CG2-CG 3.98Å; V202-L241 HydrophobicContact CG1-CD1 4.47Å; V202-L271 HydrophobicContact CG1-CD1 3.78Å; V202-L271 HydrophobicContact CG1-CD2 4Å; V202-L271 HydrophobicContact CG1-CG 3.78Å; V202-S272 WeakPolarHBondContact CA-O 3.4Å; V202-A273 HydrophobicContact CB-CB 4.46Å; V202-A273 HydrophobicContact CG1-CB 4.47Å; V202-A273 HydrophobicContact CG2-CB 3.82Å
203R92.1Very high89.2Confident150 Ų15060.3 Ų60.357%0.56630%0.303SS*.EExtended strand (participates in β ladder)trans-124.3142.4176.8-61.5-175.3-173.91791.5109.8S201 E233 L271 S272S201-R203 PolarHBondContact O-N 3.32Å; R203-E233 HydrophobicContact CG-CB 4.24Å; R203-E233 HydrophobicContact CG-CG 4.03Å; R203-E233 IonicContact CZ-OE2 3.97Å; R203-E233 IonicContact NE-OE2 2.97Å; R203-E233 PolarHBondContact NE-OE2 3.46Å; R203-E233 IonicContact NH2-OE2 3.61Å; R203-E233 PolarHBondContact NH2-OE2 3.01Å; R203-L271 WeakPolarHBondContact O-CA 3.41Å; R203-S272 PolarHBondContact N-O 3.33Å; R203-S272 PolarHBondContact O-N 2.93Å
204V93.4Very high88.5Confident25 Ų2565.4 Ų65.415%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-121.7136.6175.81710000109.8F189 F224 Y243 V269 F270 L271F189-V204 HydrophobicContact CZ-CG1 3.99Å; V204-F224 HydrophobicContact CG1-CB 4.35Å; V204-Y243 HydrophobicContact CB-CD1 4.11Å; V204-Y243 HydrophobicContact CB-CE1 3.78Å; V204-Y243 HydrophobicContact CG1-CD1 4.5Å; V204-Y243 HydrophobicContact CG2-CD1 4.15Å; V204-Y243 HydrophobicContact CG2-CD2 4.14Å; V204-Y243 HydrophobicContact CG2-CE1 3.64Å; V204-Y243 HydrophobicContact CG2-CE2 3.63Å; V204-Y243 HydrophobicContact CG2-CG 4.37Å; V204-V269 HydrophobicContact CG1-CG1 3.76Å; V204-F270 VanDerWaalsContact CA-O 3.29Å; V204-F270 WeakPolarHBondContact CA-O 3.27Å; V204-L271 HydrophobicContact CG2-CB 4.21Å; V204-L271 HydrophobicContact CG2-CD1 4.18Å; V204-L271 HydrophobicContact CG2-CG 4.16Å
205S93.2Very high87.9Confident64 Ų6464 Ų6445%0.44833%0.332SS..EExtended strand (participates in β ladder)trans-131.1150.6167.158.40000109.1F270S205-F270 PolarHBondContact N-O 3.12Å; S205-F270 PolarHBondContact O-N 3.44Å
206A95.5Very high87.7Confident0 Ų064.2 Ų64.20%034%0.336CS..EExtended strand (participates in β ladder)trans-133.1146.4175.900000111.3V222 F224 L267 V268 V269A206-V222 HydrophobicContact CB-CB 4.2Å; A206-V222 WeakPolarHBondContact CB-O 3.42Å; A206-V222 PolarHBondContact N-O 2.98Å; A206-V222 PolarHBondContact O-N 2.89Å; A206-F224 HydrophobicContact CB-CD2 3.72Å; A206-F224 HydrophobicContact CB-CE2 3.54Å; A206-L267 HydrophobicContact CB-CD1 4.02Å; A206-V268 CarbonylContact C-O 3.59Å; A206-V268 VanDerWaalsContact CA-O 3.23Å; A206-V268 WeakPolarHBondContact CA-O 3.26Å; A206-V269 HydrophobicContact CB-CG2 4.08Å
207I95.4Very high87.9Confident44 Ų4461.9 Ų61.923%0.22632%0.317CS..EExtended strand (participates in β ladder)trans-125.1123177-58.4177000107.6Y209 Q219 V268 F270I207-Y209 HydrophobicContact CB-CE2 3.91Å; I207-Y209 HydrophobicContact CG2-CD2 4.04Å; I207-Y209 HydrophobicContact CG2-CE1 4.4Å; I207-Y209 HydrophobicContact CG2-CE2 3.61Å; I207-Q219 HydrophobicContact CG2-CB 3.94Å; I207-Q219 HydrophobicContact CG2-CG 4.44Å; I207-V268 PolarHBondContact N-O 3.16Å; I207-V268 PolarHBondContact O-N 2.9Å; I207-F270 HydrophobicContact CB-CE2 4.19Å; I207-F270 HydrophobicContact CD1-CE2 3.84Å; I207-F270 HydrophobicContact CD1-CZ 4.22Å; I207-F270 HydrophobicContact CG1-CE2 3.91Å
208L94.5Very high88Confident3 Ų363.3 Ų63.32%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-86.4120.8169.7-178.967.6000109.2Q219 T220 V222 P252 L253 L256 F265 L267L208-Q219 WeakPolarHBondContact O-CA 3.26Å; L208-T220 PolarHBondContact N-O 2.83Å; L208-T220 PolarHBondContact O-N 3.36Å; L208-V222 HydrophobicContact CB-CG2 3.83Å; L208-P252 HydrophobicContact CD2-CB 3.86Å; L208-P252 HydrophobicContact CD2-CG 4.3Å; L208-L253 HydrophobicContact CD1-CD2 3.88Å; L208-L253 HydrophobicContact CD2-CD2 4.16Å; L208-L256 HydrophobicContact CD1-CD1 4.38Å; L208-L256 HydrophobicContact CD2-CD1 3.71Å; L208-F265 HydrophobicContact CD1-CB 3.91Å; L208-F265 HydrophobicContact CD1-CD2 3.37Å; L208-F265 HydrophobicContact CD1-CE2 4.14Å; L208-F265 HydrophobicContact CD1-CG 3.89Å; L208-L267 HydrophobicContact CB-CD1 4.42Å; L208-L267 HydrophobicContact CD1-CB 4.49Å
209Y92.1Very high88.3Confident36 Ų3668.5 Ų68.514%0.14134%0.338CS..EExtended strand (participates in β ladder)trans-100122.7171.9-67.8-92.4000109.7M20 I207 L217 Y218 Q219 F265 E266 V268M20-Y209 HydrophobicContact CE-CD1 4.21Å; M20-Y209 HydrophobicContact CE-CD2 4.39Å; M20-Y209 HydrophobicContact CE-CG 3.75Å; M20-Y209 HydrophobicContact SD-CD1 4.3Å; M20-Y209 HydrophobicContact SD-CG 4.41Å; I207-Y209 HydrophobicContact CB-CE2 3.91Å; I207-Y209 HydrophobicContact CG2-CD2 4.04Å; I207-Y209 HydrophobicContact CG2-CE1 4.4Å; I207-Y209 HydrophobicContact CG2-CE2 3.61Å; Y209-L217 HydrophobicContact CD1-CD1 4.45Å; Y209-L217 HydrophobicContact CD1-CD2 3.8Å; Y209-L217 HydrophobicContact CD1-CG 4.11Å; Y209-L217 HydrophobicContact CE1-CD2 4.41Å; Y209-Y218 WeakPolarHBondContact CA-O 3.45Å; Y209-Q219 HydrophobicContact CD1-CG 3.73Å; Y209-Q219 HydrophobicContact CE1-CG 3.53Å; Y209-F265 CarbonylContact O-C 3.53Å; Y209-F265 VanDerWaalsContact O-CA 3.24Å; Y209-F265 WeakPolarHBondContact O-CA 3.19Å; Y209-F265 WeakPolarHBondContact O-CB 3.17Å; Y209-E266 PolarHBondContact N-O 3.45Å; Y209-E266 PolarHBondContact O-N 2.85Å; Y209-V268 HydrophobicContact CD2-CB 4.29Å; Y209-V268 HydrophobicContact CD2-CG2 3.62Å; Y209-V268 HydrophobicContact CE2-CB 3.9Å; Y209-V268 HydrophobicContact CE2-CG2 3.51Å
210Q89.4Confident88.4Confident38 Ų3871.2 Ų71.218%0.17835%0.354CS..EExtended strand (participates in β ladder)trans-132129.3178.6-170.4-17222.500110.2Y218 S263Q210-Y218 PolarHBondContact N-O 3.27Å; Q210-Y218 PolarHBondContact O-N 2.9Å; Q210-S263 PolarHBondContact NE2-OG 3.39Å
211E83.3Confident88.5Confident88 Ų8873.8 Ų73.841%0.41137%0.373SS..EExtended strand (participates in β ladder)trans-84.6121.2167.2-168.9176-17900108.6Y17Y17-E211 WeakPolarHBondContact CE1-OE2 3.49Å
212R80.8Confident88.7Confident129 Ų12972.1 Ų72.149%0.48736%0.361SS..  trans-94.6165.3174.2-67.6-170.4-179.9-168.21.2110.3N214 G215 K216 Y218R212-N214 PolarHBondContact O-N 3.25Å; R212-G215 PolarHBondContact O-N 3.11Å; R212-K216 PolarHBondContact N-O 3.49Å; R212-K216 VanDerWaalsContact N-O 3.16Å; R212-Y218 HydrophobicContact CB-CD2 3.91Å; R212-Y218 HydrophobicContact CB-CE2 3.82Å; R212-Y218 HydrophobicContact CG-CD2 3.59Å; R212-Y218 HydrophobicContact CG-CE2 3.9Å; R212-Y218 HydrophobicContact CG-CG 4.38Å
213E76.6Confident88.7Confident202 Ų20277 Ų7794%0.94439%0.388SS*.THydrogen-bonded Turntrans-48.5-25.5-178.2-62-179.2173.600114.5G215E213-G215 PolarHBondContact O-N 3.47Å
214N77.8Confident88.7Confident124 Ų12470.6 Ų70.666%0.66336%0.364SS*.THydrogen-bonded Turntrans-73.83.1176.3-58.8-4.2000114.2R212 K216R212-N214 PolarHBondContact O-N 3.25Å; N214-K216 PolarHBondContact O-N 3.32Å
215G76.1Confident88.5Confident52 Ų5274.4 Ų74.454%0.53638%0.38SS..SBendtrans67.213.6-174.600000114.1R212 E213R212-G215 PolarHBondContact O-N 3.11Å; E213-G215 PolarHBondContact O-N 3.47Å
216K83.3Confident88.2Confident136 Ų13672 Ų7259%0.59136%0.362SS*.PPolyproline II helixtrans-99.3136.9179.1-70.4-174.4179.9-178.80110.3R212 N214 Y218R212-K216 PolarHBondContact N-O 3.49Å; R212-K216 VanDerWaalsContact N-O 3.16Å; N214-K216 PolarHBondContact O-N 3.32Å; K216-Y218 HydrophobicContact CB-CD2 4.39Å; K216-Y218 HydrophobicContact CB-CE2 3.8Å; K216-Y218 VanDerWaalsContact O-CD2 3.31Å; K216-Y218 WeakPolarHBondContact O-CD2 3.29Å
217L86.4Confident87.4Confident80 Ų8076.4 Ų76.442%0.41939%0.385SS..EExtended strand (participates in β ladder)trans-82.5116.7173.4-16968.7000110.1M20 Y209M20-L217 HydrophobicContact CE-CD1 4.33Å; M20-L217 HydrophobicContact SD-CD1 4.14Å; M20-L217 HydrophobicContact SD-CD2 3.68Å; Y209-L217 HydrophobicContact CD1-CD1 4.45Å; Y209-L217 HydrophobicContact CD1-CD2 3.8Å; Y209-L217 HydrophobicContact CD1-CG 4.11Å; Y209-L217 HydrophobicContact CE1-CD2 4.41Å
218Y89.2Confident86.1Confident82 Ų8278.1 Ų78.132%0.32241%0.414SS..EExtended strand (participates in β ladder)trans-98.5140.3175.2-72.7-95.8000110.1Y209 Q210 R212 K216Y209-Y218 WeakPolarHBondContact CA-O 3.45Å; Q210-Y218 PolarHBondContact N-O 3.27Å; Q210-Y218 PolarHBondContact O-N 2.9Å; R212-Y218 HydrophobicContact CB-CD2 3.91Å; R212-Y218 HydrophobicContact CB-CE2 3.82Å; R212-Y218 HydrophobicContact CG-CD2 3.59Å; R212-Y218 HydrophobicContact CG-CE2 3.9Å; R212-Y218 HydrophobicContact CG-CG 4.38Å; K216-Y218 HydrophobicContact CB-CD2 4.39Å; K216-Y218 HydrophobicContact CB-CE2 3.8Å; K216-Y218 VanDerWaalsContact O-CD2 3.31Å; K216-Y218 WeakPolarHBondContact O-CD2 3.29Å
219Q92.4Very high85.1Confident124 Ų12481 Ų8158%0.57943%0.429SS*.EExtended strand (participates in β ladder)trans-114.6127.5177.6-59-179.113.100108.1I207 L208 Y209I207-Q219 HydrophobicContact CG2-CB 3.94Å; I207-Q219 HydrophobicContact CG2-CG 4.44Å; L208-Q219 WeakPolarHBondContact O-CA 3.26Å; Y209-Q219 HydrophobicContact CD1-CG 3.73Å; Y209-Q219 HydrophobicContact CE1-CG 3.53Å
220T93.4Very high83.8Confident56 Ų5685.9 Ų85.934%0.34447%0.468SS..EExtended strand (participates in β ladder)trans-131.8128.7178.5-56.50000109.3L208 P252L208-T220 PolarHBondContact N-O 2.83Å; L208-T220 PolarHBondContact O-N 3.36Å; T220-P252 HydrophobicContact CG2-CB 3.97Å; T220-P252 HydrophobicContact CG2-CG 4.07Å
221S93.6Very high82.9Confident79 Ų7986.9 Ų86.955%0.55248%0.479SS*.EExtended strand (participates in β ladder)trans-66.1139.4175.8-165.60000110
222V93.1Very high82.5Confident2 Ų290.9 Ų90.91%0.01250%0.498CS..EExtended strand (participates in β ladder)trans-126.4119173.9-176.70000107.7A206 L208 F224 H245 P252 L253 L267A206-V222 HydrophobicContact CB-CB 4.2Å; A206-V222 WeakPolarHBondContact CB-O 3.42Å; A206-V222 PolarHBondContact N-O 2.98Å; A206-V222 PolarHBondContact O-N 2.89Å; L208-V222 HydrophobicContact CB-CG2 3.83Å; V222-F224 HydrophobicContact CB-CE2 4.34Å; V222-F224 HydrophobicContact CG1-CD2 4.29Å; V222-F224 HydrophobicContact CG1-CE2 3.74Å; V222-F224 HydrophobicContact CG1-CZ 4.41Å; V222-H245 HydrophobicContact CG1-CB 4.49Å; V222-H245 WeakPolarHBondContact CG1-ND1 3.39Å; V222-P252 HydrophobicContact CG2-CG 3.8Å; V222-L253 HydrophobicContact CG1-CD1 4.13Å; V222-L267 HydrophobicContact CB-CD1 4.33Å; V222-L267 HydrophobicContact CG2-CD1 4.16Å
223D90.9Very high82.6Confident104 Ų10486.8 Ų86.856%0.55648%0.484SS*.  trans-88135.1-176.9-56.2-32.3000110.2H245D223-H245 PolarHBondContact O-ND1 2.9Å
224F91.7Very high82.9Confident15 Ų1577.3 Ų77.37%0.06644%0.44CS..  trans-118.5138.3176.8-81.3-93.4000109.6L187 F189 V204 A206 V222 Y243 Y244 H245 L267L187-F224 HydrophobicContact CD2-CE1 4.5Å; L187-F224 HydrophobicContact CD2-CZ 3.98Å; L187-F224 HydrophobicContact CG-CE1 4.47Å; L187-F224 HydrophobicContact CG-CZ 4.42Å; F189-F224 HydrophobicContact CD1-CD1 4.18Å; F189-F224 AromaticContact CD1-CE1 3.74Å; F189-F224 HydrophobicContact CD1-CE1 3.74Å; F189-F224 HydrophobicContact CD1-CZ 4.16Å; F189-F224 AromaticContact CE1-CD1 3.44Å; F189-F224 HydrophobicContact CE1-CD1 3.44Å; F189-F224 VanDerWaalsContact CE1-CD1 3.44Å; F189-F224 HydrophobicContact CE1-CD2 4.19Å; F189-F224 AromaticContact CE1-CE1 3.33Å; F189-F224 HydrophobicContact CE1-CE1 3.33Å; F189-F224 HydrophobicContact CE1-CE2 4.09Å; F189-F224 AromaticContact CE1-CG 3.88Å; F189-F224 HydrophobicContact CE1-CG 3.88Å; F189-F224 AromaticContact CE1-CZ 3.67Å; F189-F224 HydrophobicContact CE1-CZ 3.67Å; F189-F224 HydrophobicContact CZ-CD1 4.14Å; F189-F224 HydrophobicContact CZ-CE1 4.42Å; F189-F224 HydrophobicContact CZ-CG 4.3Å; V204-F224 HydrophobicContact CG1-CB 4.35Å; A206-F224 HydrophobicContact CB-CD2 3.72Å; A206-F224 HydrophobicContact CB-CE2 3.54Å; V222-F224 HydrophobicContact CB-CE2 4.34Å; V222-F224 HydrophobicContact CG1-CD2 4.29Å; V222-F224 HydrophobicContact CG1-CE2 3.74Å; V222-F224 HydrophobicContact CG1-CZ 4.41Å; F224-Y243 HydrophobicContact CB-CD1 4.15Å; F224-Y244 WeakPolarHBondContact CA-O 3.29Å; F224-H245 HydrophobicContact CD1-CB 3.69Å; F224-H245 HydrophobicContact CD2-CB 4.43Å; F224-H245 HydrophobicContact CE1-CB 3.42Å; F224-H245 VanDerWaalsContact CE1-CB 3.42Å; F224-H245 HydrophobicContact CE2-CB 4.21Å; F224-H245 HydrophobicContact CG-CB 4.19Å; F224-H245 HydrophobicContact CZ-CB 3.72Å; F224-L267 HydrophobicContact CE2-CD2 4.41Å; F224-L267 HydrophobicContact CZ-CD2 4.09Å
225H89.9Confident83.2Confident104 Ų10475.7 Ų75.748%0.48144%0.436SS..EExtended strand (participates in β ladder)trans-110.7147.3178.4-56.3-64.2000110.4Y243 Y244H225-Y243 WeakPolarHBondContact O-CA 3.38Å; H225-Y244 PolarHBondContact N-O 3.3Å; H225-Y244 PolarHBondContact O-N 3.44Å
226L87.6Confident83.5Confident14 Ų1477.5 Ų77.57%0.07343%0.429CS..EExtended strand (participates in β ladder)trans-83.9144178.9-176.263.2000110.7G228 I229 C234 L241 Y243L226-G228 PolarHBondContact O-N 2.78Å; L226-I229 HydrophobicContact CD2-CB 4.12Å; L226-I229 HydrophobicContact CD2-CD1 3.6Å; L226-I229 HydrophobicContact CD2-CG1 4.36Å; L226-I229 HydrophobicContact CG-CB 4.45Å; L226-I229 HydrophobicContact CG-CD1 4.38Å; L226-C234 HydrophobicContact CD2-CB 3.58Å; L226-L241 HydrophobicContact CD1-CB 3.78Å; L226-L241 HydrophobicContact CD1-CD1 4.33Å; L226-L241 HydrophobicContact CD1-CD2 4.14Å; L226-L241 HydrophobicContact CD1-CG 4.28Å; L226-Y243 HydrophobicContact CB-CE1 4.18Å; L226-Y243 HydrophobicContact CD1-CE1 4.18Å; L226-Y243 HydrophobicContact CD1-CE2 4.16Å
227D78.1Confident83.8Confident92 Ų9271 Ų7149%0.49240%0.401SS..THydrogen-bonded Turntrans-56.8133174.7-145.3-22.7000112.7I229 T242 Y244D227-I229 PolarHBondContact O-N 2.96Å; D227-T242 PolarHBondContact N-O 3.06Å; D227-Y244 HydrophobicContact CB-CD2 4.42Å; D227-Y244 HydrophobicContact CB-CE2 3.55Å; D227-Y244 VanDerWaalsContact CG-CE2 3.46Å; D227-Y244 WeakPolarHBondContact OD2-CE2 3.4Å; D227-Y244 PolarHBondContact OD2-OH 3.44Å
228G68.8Low83.7Confident80 Ų8071.1 Ų71.183%0.82540%0.402SS*.THydrogen-bonded Turntrans62.95.8167.900000116.6L226L226-G228 PolarHBondContact O-N 2.78Å
229I71.8Confident83.5Confident65 Ų6572 Ų7233%0.33341%0.407SS..  trans-125.8120.5-179.6-66.3169.2000108.3L226 D227 S231L226-I229 HydrophobicContact CD2-CB 4.12Å; L226-I229 HydrophobicContact CD2-CD1 3.6Å; L226-I229 HydrophobicContact CD2-CG1 4.36Å; L226-I229 HydrophobicContact CG-CB 4.45Å; L226-I229 HydrophobicContact CG-CD1 4.38Å; D227-I229 PolarHBondContact O-N 2.96Å; I229-S231 PolarHBondContact O-N 3.2Å
230S65.8Low83.4Confident137 Ų13767 Ų6796%0.95839%0.385SS*.SBendtrans-73-11.717754.20000113.6
231S70.7Confident83.3Confident59 Ų5964.5 Ų64.541%0.41337%0.37SS..SBendtrans-79.6136.7174.4175.90000110.9I229 E233I229-S231 PolarHBondContact O-N 3.2Å; S231-E233 PolarHBondContact O-N 3.31Å; S231-E233 PolarHBondContact OG-N 2.95Å; S231-E233 VanDerWaalsContact OG-N 3.17Å; S231-E233 PolarHBondContact OG-O 3.49Å
232E74.4Confident83.3Confident172 Ų17261.8 Ų61.880%0.80435%0.35SS*.SBendtrans-64.7-20.7171.7-62.7-177.2170.800112.7
233E82.6Confident83.3Confident44 Ų4461.8 Ų61.821%0.20635%0.35CS..SBendtrans-111.8129-178.5-176176.4144.400110.9S201 V202 R203 S231 P235S201-E233 WeakPolarHBondContact CA-OE1 3.45Å; S201-E233 WeakPolarHBondContact CB-OE1 3.46Å; S201-E233 PolarHBondContact OG-OE1 3.15Å; V202-E233 WeakPolarHBondContact O-CA 3.45Å; R203-E233 HydrophobicContact CG-CB 4.24Å; R203-E233 HydrophobicContact CG-CG 4.03Å; R203-E233 IonicContact CZ-OE2 3.97Å; R203-E233 IonicContact NE-OE2 2.97Å; R203-E233 PolarHBondContact NE-OE2 3.46Å; R203-E233 IonicContact NH2-OE2 3.61Å; R203-E233 PolarHBondContact NH2-OE2 3.01Å; S231-E233 PolarHBondContact O-N 3.31Å; S231-E233 PolarHBondContact OG-N 2.95Å; S231-E233 VanDerWaalsContact OG-N 3.17Å; S231-E233 PolarHBondContact OG-O 3.49Å; E233-P235 WeakPolarHBondContact O-CD 3.32Å
234C84.2Confident83.4Confident3 Ų358.8 Ų58.82%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-80.8120168.4-167.10000109.1S201 V202 L226 F236 L241S201-C234 PolarHBondContact N-O 2.96Å; V202-C234 HydrophobicContact CB-CB 4.05Å; V202-C234 PolarHBondContact N-O 3.37Å; V202-C234 PolarHBondContact O-N 3.34Å; L226-C234 HydrophobicContact CD2-CB 3.58Å; C234-F236 PolarHBondContact O-N 2.81Å; C234-F236 PolarHBondContact SG-O 2.87Å; C234-F236 VanDerWaalsContact SG-O 3.36Å; C234-L241 HydrophobicContact CB-CD1 3.93Å
235P83Confident83.6Confident89 Ų8959 Ų5958%0.57833%0.332SS*.EExtended strand (participates in β ladder)trans-67.9-26.4179.727-34.1000112.1T200 E233T200-P235 WeakPolarHBondContact CA-O 3.35Å; T200-P235 WeakPolarHBondContact CB-O 3.45Å; E233-P235 WeakPolarHBondContact O-CD 3.32Å
236F83.5Confident83.7Confident90 Ų9056.4 Ų56.440%0.39533%0.326SS..EExtended strand (participates in β ladder)trans-149117.3-169.2-157-129.5000114P198 T200 C234 I238P198-F236 HydrophobicContact CB-CD2 4.02Å; P198-F236 HydrophobicContact CB-CE2 3.36Å; P198-F236 HydrophobicContact CB-CZ 3.74Å; P198-F236 HydrophobicContact CG-CE2 3.64Å; P198-F236 HydrophobicContact CG-CZ 3.98Å; T200-F236 HydrophobicContact CG2-CD2 4.24Å; C234-F236 PolarHBondContact O-N 2.81Å; C234-F236 PolarHBondContact SG-O 2.87Å; C234-F236 VanDerWaalsContact SG-O 3.36Å; F236-I238 HydrophobicContact CD1-CD1 3.87Å; F236-I238 HydrophobicContact CD1-CG1 3.81Å; F236-I238 HydrophobicContact CE1-CB 4.46Å; F236-I238 HydrophobicContact CE1-CD1 3.01Å; F236-I238 HydrophobicContact CE1-CG1 3.45Å; F236-I238 VanDerWaalsContact CE1-CG1 3.45Å; F236-I238 HydrophobicContact CE2-CD1 4.32Å; F236-I238 HydrophobicContact CE2-CG1 4.41Å; F236-I238 HydrophobicContact CG-CG1 4.48Å; F236-I238 HydrophobicContact CZ-CD1 3.29Å; F236-I238 HydrophobicContact CZ-CG1 3.77Å
237F88.3Confident83.9Confident0 Ų056.8 Ų56.80%033%0.328CS..EExtended strand (participates in β ladder)trans-112.885.4-176-177.9-151.3000111.9I170 V191 N193 L199 V202 F239 L241I170-F237 HydrophobicContact CG2-CE1 4.33Å; V191-F237 HydrophobicContact CB-CZ 4.44Å; V191-F237 HydrophobicContact CG1-CE2 4.46Å; V191-F237 HydrophobicContact CG1-CZ 4.09Å; V191-F237 HydrophobicContact CG2-CE1 4.44Å; V191-F237 HydrophobicContact CG2-CZ 3.98Å; V191-F237 WeakPolarHBondContact O-CE2 3.4Å; N193-F237 HydrophobicContact CB-CD1 4.04Å; N193-F237 HydrophobicContact CB-CD2 4.32Å; N193-F237 HydrophobicContact CB-CE1 3.84Å; N193-F237 HydrophobicContact CB-CE2 4.14Å; N193-F237 HydrophobicContact CB-CG 4.28Å; N193-F237 HydrophobicContact CB-CZ 3.91Å; N193-F237 PolarHBondContact ND2-O 3.33Å; L199-F237 HydrophobicContact CB-CB 4.17Å; L199-F237 HydrophobicContact CB-CD1 4.09Å; L199-F237 HydrophobicContact CD1-CD1 3.96Å; L199-F237 HydrophobicContact CD1-CE1 4.35Å; L199-F237 PolarHBondContact N-O 3.48Å; L199-F237 WeakPolarHBondContact O-CB 3.23Å; L199-F237 PolarHBondContact O-N 2.87Å; V202-F237 HydrophobicContact CG2-CB 3.45Å; V202-F237 VanDerWaalsContact CG2-CB 3.45Å; V202-F237 HydrophobicContact CG2-CD1 3.89Å; V202-F237 HydrophobicContact CG2-CG 3.98Å; F237-F239 VanDerWaalsContact CD2-O 3.28Å; F237-F239 WeakPolarHBondContact CD2-O 3.26Å; F237-F239 VanDerWaalsContact CE2-O 3.31Å; F237-F239 WeakPolarHBondContact CE2-O 3.49Å; F237-L241 HydrophobicContact CB-CD1 4.3Å; F237-L241 HydrophobicContact CD2-CD1 3.57Å; F237-L241 HydrophobicContact CD2-CD2 4.45Å; F237-L241 HydrophobicContact CD2-CG 3.61Å; F237-L241 HydrophobicContact CE2-CB 4.43Å; F237-L241 HydrophobicContact CE2-CD1 3.99Å; F237-L241 HydrophobicContact CE2-CG 3.78Å; F237-L241 HydrophobicContact CG-CD1 4.02Å
238I84.8Confident84.4Confident83 Ų8355 Ų5543%0.42632%0.321SS..SBendtrans-108.4-37172.3-69.4-163.3000112P198 F236P198-I238 HydrophobicContact CB-CD1 4.15Å; P198-I238 HydrophobicContact CB-CG1 3.71Å; F236-I238 HydrophobicContact CD1-CD1 3.87Å; F236-I238 HydrophobicContact CD1-CG1 3.81Å; F236-I238 HydrophobicContact CE1-CB 4.46Å; F236-I238 HydrophobicContact CE1-CD1 3.01Å; F236-I238 HydrophobicContact CE1-CG1 3.45Å; F236-I238 VanDerWaalsContact CE1-CG1 3.45Å; F236-I238 HydrophobicContact CE2-CD1 4.32Å; F236-I238 HydrophobicContact CE2-CG1 4.41Å; F236-I238 HydrophobicContact CG-CG1 4.48Å; F236-I238 HydrophobicContact CZ-CD1 3.29Å; F236-I238 HydrophobicContact CZ-CG1 3.77Å
239F84.6Confident85.3Confident100 Ų10057.8 Ų57.844%0.43932%0.324SS..SBendtrans-108.8158.6-178.361.8-86.7000110.5F237 L241 I313F237-F239 VanDerWaalsContact CD2-O 3.28Å; F237-F239 WeakPolarHBondContact CD2-O 3.26Å; F237-F239 VanDerWaalsContact CE2-O 3.31Å; F237-F239 WeakPolarHBondContact CE2-O 3.49Å; F239-L241 HydrophobicContact CD2-CD2 4.25Å; F239-L241 HydrophobicContact CE2-CD2 3.77Å; F239-L241 HydrophobicContact CZ-CD2 4.02Å; F239-L241 PolarHBondContact O-N 3.18Å; F239-I313 HydrophobicContact CB-CD1 4.04Å
240P90.8Very high86.1Confident19 Ų1959.9 Ų59.912%0.12334%0.344CS..  trans-53.8127.9175-27.535.3000112V191 A192 L302 I313 F318V191-P240 CarbonylContact O-C 3.57Å; V191-P240 VanDerWaalsContact O-CA 3.24Å; V191-P240 WeakPolarHBondContact O-CA 3.34Å; A192-P240 HydrophobicContact CB-CB 4.23Å; A192-P240 HydrophobicContact CB-CG 4.03Å; P240-L302 HydrophobicContact CB-CD1 3.66Å; P240-L302 HydrophobicContact CG-CD1 4.05Å; P240-I313 HydrophobicContact CG-CG2 3.89Å; P240-F318 HydrophobicContact CB-CD2 4.42Å; P240-F318 HydrophobicContact CB-CE2 4.17Å
241L92.3Very high87.3Confident4 Ų453.8 Ų53.82%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-99.1139.1177.3-59.3178.3000109.1Q190 V191 V202 L226 C234 F237 F239 Y243Q190-L241 CarbonylContact C-O 3.58Å; Q190-L241 VanDerWaalsContact CA-O 3.3Å; Q190-L241 WeakPolarHBondContact CA-O 3.4Å; V191-L241 HydrophobicContact CG1-CB 3.9Å; V191-L241 PolarHBondContact N-O 3.43Å; V191-L241 PolarHBondContact O-N 2.91Å; V202-L241 HydrophobicContact CG1-CD1 4.47Å; L226-L241 HydrophobicContact CD1-CB 3.78Å; L226-L241 HydrophobicContact CD1-CD1 4.33Å; L226-L241 HydrophobicContact CD1-CD2 4.14Å; L226-L241 HydrophobicContact CD1-CG 4.28Å; C234-L241 HydrophobicContact CB-CD1 3.93Å; F237-L241 HydrophobicContact CB-CD1 4.3Å; F237-L241 HydrophobicContact CD2-CD1 3.57Å; F237-L241 HydrophobicContact CD2-CD2 4.45Å; F237-L241 HydrophobicContact CD2-CG 3.61Å; F237-L241 HydrophobicContact CE2-CB 4.43Å; F237-L241 HydrophobicContact CE2-CD1 3.99Å; F237-L241 HydrophobicContact CE2-CG 3.78Å; F237-L241 HydrophobicContact CG-CD1 4.02Å; F239-L241 HydrophobicContact CD2-CD2 4.25Å; F239-L241 HydrophobicContact CE2-CD2 3.77Å; F239-L241 HydrophobicContact CZ-CD2 4.02Å; F239-L241 PolarHBondContact O-N 3.18Å; L241-Y243 HydrophobicContact CB-CD2 4.49Å; L241-Y243 HydrophobicContact CB-CE2 3.95Å; L241-Y243 HydrophobicContact CD1-CE2 4.43Å
242T92.8Very high88.2Confident21 Ų2153 Ų5313%0.12930%0.295CS..EExtended strand (participates in β ladder)trans-108.8126.4175.3-52.50000109I188 Q190 D227 Y244I188-T242 HydrophobicContact CG2-CG2 3.31Å; Q190-T242 HydrophobicContact CG-CG2 4.02Å; Q190-T242 PolarHBondContact NE2-OG1 3.3Å; D227-T242 PolarHBondContact N-O 3.06Å; T242-Y244 HydrophobicContact CG2-CD2 4.42Å; T242-Y244 HydrophobicContact CG2-CE1 3.94Å; T242-Y244 HydrophobicContact CG2-CE2 3.64Å; T242-Y244 WeakPolarHBondContact CG2-OH 3.41Å
243Y94.1Very high88.9Confident2 Ų244.8 Ų44.81%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-109.2138.2179-77.3-87.9000110.4I188 F189 V191 V204 F224 H225 L226 L241I188-Y243 WeakPolarHBondContact CA-O 3.14Å; F189-Y243 AromaticContact CE2-CD2 3.9Å; F189-Y243 HydrophobicContact CE2-CD2 3.9Å; F189-Y243 HydrophobicContact CE2-CG 4.09Å; F189-Y243 HydrophobicContact CZ-CD2 4.31Å; F189-Y243 HydrophobicContact CZ-CG 4.04Å; F189-Y243 PolarHBondContact N-O 3.31Å; F189-Y243 PolarHBondContact O-N 2.92Å; V191-Y243 HydrophobicContact CG1-CD2 3.99Å; V191-Y243 HydrophobicContact CG1-CE2 3.65Å; V204-Y243 HydrophobicContact CB-CD1 4.11Å; V204-Y243 HydrophobicContact CB-CE1 3.78Å; V204-Y243 HydrophobicContact CG1-CD1 4.5Å; V204-Y243 HydrophobicContact CG2-CD1 4.15Å; V204-Y243 HydrophobicContact CG2-CD2 4.14Å; V204-Y243 HydrophobicContact CG2-CE1 3.64Å; V204-Y243 HydrophobicContact CG2-CE2 3.63Å; V204-Y243 HydrophobicContact CG2-CG 4.37Å; F224-Y243 HydrophobicContact CB-CD1 4.15Å; H225-Y243 WeakPolarHBondContact O-CA 3.38Å; L226-Y243 HydrophobicContact CB-CE1 4.18Å; L226-Y243 HydrophobicContact CD1-CE1 4.18Å; L226-Y243 HydrophobicContact CD1-CE2 4.16Å; L241-Y243 HydrophobicContact CB-CD2 4.49Å; L241-Y243 HydrophobicContact CB-CE2 3.95Å; L241-Y243 HydrophobicContact CD1-CE2 4.43Å
244Y93.1Very high89.1Confident42 Ų4243 Ų4317%0.16525%0.249CC..EExtended strand (participates in β ladder)trans-123.1139.7-176.4-55.2-95.2000110.9I181 N186 L187 I188 F224 H225 D227 T242I181-Y244 HydrophobicContact CD1-CD1 3.38Å; I181-Y244 HydrophobicContact CD1-CE1 3.27Å; N186-Y244 HydrophobicContact CB-CD1 4.48Å; L187-Y244 CarbonylContact O-C 3.56Å; L187-Y244 WeakPolarHBondContact O-CA 3.41Å; I188-Y244 HydrophobicContact CB-CD1 4.36Å; I188-Y244 HydrophobicContact CD1-CD1 3.8Å; I188-Y244 HydrophobicContact CD1-CE1 3.69Å; I188-Y244 HydrophobicContact CG1-CD1 3.63Å; I188-Y244 HydrophobicContact CG1-CE1 3.95Å; I188-Y244 HydrophobicContact CG2-CD1 3.96Å; I188-Y244 HydrophobicContact CG2-CE1 3.77Å; F224-Y244 WeakPolarHBondContact CA-O 3.29Å; H225-Y244 PolarHBondContact N-O 3.3Å; H225-Y244 PolarHBondContact O-N 3.44Å; D227-Y244 HydrophobicContact CB-CD2 4.42Å; D227-Y244 HydrophobicContact CB-CE2 3.55Å; D227-Y244 VanDerWaalsContact CG-CE2 3.46Å; D227-Y244 WeakPolarHBondContact OD2-CE2 3.4Å; D227-Y244 PolarHBondContact OD2-OH 3.44Å; T242-Y244 HydrophobicContact CG2-CD2 4.42Å; T242-Y244 HydrophobicContact CG2-CE1 3.94Å; T242-Y244 HydrophobicContact CG2-CE2 3.64Å; T242-Y244 WeakPolarHBondContact CG2-OH 3.41Å
245H93.9Very high89.1Confident18 Ų1847 Ų478%0.08327%0.274CS..EExtended strand (participates in β ladder)trans-122.6115.1166.1173.976000109N186 L187 V222 D223 F224 I247 S251N186-H245 CarbonylContact C-O 3.48Å; N186-H245 VanDerWaalsContact CA-O 3.29Å; N186-H245 WeakPolarHBondContact CA-O 2.88Å; L187-H245 HydrophobicContact CB-CB 4.38Å; L187-H245 PolarHBondContact N-O 3.48Å; L187-H245 PolarHBondContact O-N 3Å; V222-H245 HydrophobicContact CG1-CB 4.49Å; V222-H245 WeakPolarHBondContact CG1-ND1 3.39Å; D223-H245 PolarHBondContact O-ND1 2.9Å; F224-H245 HydrophobicContact CD1-CB 3.69Å; F224-H245 HydrophobicContact CD2-CB 4.43Å; F224-H245 HydrophobicContact CE1-CB 3.42Å; F224-H245 VanDerWaalsContact CE1-CB 3.42Å; F224-H245 HydrophobicContact CE2-CB 4.21Å; F224-H245 HydrophobicContact CG-CB 4.19Å; F224-H245 HydrophobicContact CZ-CB 3.72Å; H245-I247 PolarHBondContact O-N 3.04Å; H245-S251 PolarHBondContact NE2-OG 2.84Å
246S92.4Very high89.2Confident51 Ų5143 Ų4336%0.35725%0.248SC..EExtended strand (participates in β ladder)trans-71120.2176.3-59.90000110.8N186 T248N186-S246 WeakPolarHBondContact OD1-CA 3.31Å; N186-S246 WeakPolarHBondContact OD1-CB 3.25Å; N186-S246 PolarHBondContact OD1-N 3.45Å; N186-S246 PolarHBondContact OD1-OG 3.18Å; S246-T248 VanDerWaalsContact C-N 3.29Å; S246-T248 PolarHBondContact O-N 2.88Å
247I91.9Very high89.2Confident21 Ų2140 Ų4011%0.10824%0.235CC..  trans-83.280.5179.5-55.7165.3000107.9V178 P185 L187 H245 A254 L257V178-I247 HydrophobicContact CG1-CD1 3.88Å; V178-I247 HydrophobicContact CG2-CD1 4.26Å; P185-I247 HydrophobicContact CB-CB 4.43Å; P185-I247 HydrophobicContact CB-CD1 4.33Å; P185-I247 HydrophobicContact CG-CB 4.16Å; P185-I247 WeakPolarHBondContact O-CB 3.39Å; P185-I247 PolarHBondContact O-N 2.99Å; L187-I247 HydrophobicContact CB-CD1 4.24Å; L187-I247 HydrophobicContact CB-CG1 4.48Å; H245-I247 PolarHBondContact O-N 3.04Å; I247-A254 HydrophobicContact CG2-CB 3.77Å; I247-L257 HydrophobicContact CD1-CD1 3.68Å
248T89.6Confident88.6Confident56 Ų5647.1 Ų47.134%0.34427%0.269SS..  trans-81.4165.6172.162.50000110.7S246 S250 S251 A254S246-T248 VanDerWaalsContact C-N 3.29Å; S246-T248 PolarHBondContact O-N 2.88Å; T248-S250 PolarHBondContact O-N 3.27Å; T248-S250 PolarHBondContact OG1-OG 3.46Å; T248-S251 WeakPolarHBondContact O-CB 3.34Å; T248-S251 PolarHBondContact O-N 3.21Å; T248-S251 PolarHBondContact OG1-N 2.97Å; T248-A254 VanDerWaalsContact O-CB 3.32Å; T248-A254 WeakPolarHBondContact O-CB 3.46Å
249P87.9Confident87.9Confident138 Ų13849 Ų4990%0.89628%0.276SS*.THydrogen-bonded Turntrans-57.7-20.9174.7-26.535.8000114.8
250S88.1Confident86.8Confident109 Ų10953.5 Ų53.576%0.76230%0.298SS*.THydrogen-bonded Turntrans-88.4-8.4174.460.10000113.7T248T248-S250 PolarHBondContact O-N 3.27Å; T248-S250 PolarHBondContact OG1-OG 3.46Å
251S90.5Very high85.6Confident9 Ų959.8 Ų59.86%0.06333%0.331CS..SBendtrans-66.9136.2177.5170.90000110.4H245 T248 L253 A254H245-S251 PolarHBondContact NE2-OG 2.84Å; T248-S251 WeakPolarHBondContact O-CB 3.34Å; T248-S251 PolarHBondContact O-N 3.21Å; T248-S251 PolarHBondContact OG1-N 2.97Å; S251-L253 PolarHBondContact O-N 3.45Å; S251-L253 VanDerWaalsContact O-N 3.14Å; S251-L253 PolarHBondContact OG-N 3.4Å; S251-L253 VanDerWaalsContact OG-N 3.16Å; S251-A254 WeakPolarHBondContact O-CB 3.5Å; S251-A254 PolarHBondContact O-N 2.94Å; S251-A254 VanDerWaalsContact O-N 3.14Å
252P89.3Confident84.4Confident41 Ų4162 Ų6227%0.26635%0.345SS..THydrogen-bonded Turntrans-65.5-15.9175.629.8-36.5000112.8L208 T220 V222 L256L208-P252 HydrophobicContact CD2-CB 3.86Å; L208-P252 HydrophobicContact CD2-CG 4.3Å; T220-P252 HydrophobicContact CG2-CB 3.97Å; T220-P252 HydrophobicContact CG2-CG 4.07Å; V222-P252 HydrophobicContact CG2-CG 3.8Å; P252-L256 WeakPolarHBondContact O-CD1 3.34Å
253L89.5Confident83.5Confident0 Ų063.7 Ų63.70%036%0.358CS..THydrogen-bonded Turntrans-89.3-14.3178.2-69167.5000113.3L187 L208 V222 S251 T255 L256 L257 F265L187-L253 HydrophobicContact CD2-CD1 3.6Å; L208-L253 HydrophobicContact CD1-CD2 3.88Å; L208-L253 HydrophobicContact CD2-CD2 4.16Å; V222-L253 HydrophobicContact CG1-CD1 4.13Å; S251-L253 PolarHBondContact O-N 3.45Å; S251-L253 VanDerWaalsContact O-N 3.14Å; S251-L253 PolarHBondContact OG-N 3.4Å; S251-L253 VanDerWaalsContact OG-N 3.16Å; L253-T255 PolarHBondContact O-N 3.06Å; L253-L256 HydrophobicContact CD2-CD1 4.45Å; L253-L256 PolarHBondContact O-N 3.43Å; L253-L257 HydrophobicContact CB-CD1 3.98Å; L253-L257 HydrophobicContact CB-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 WeakPolarHBondContact O-CG 3.44Å; L253-L257 PolarHBondContact O-N 3.43Å; L253-F265 HydrophobicContact CD2-CE2 4.06Å; L253-F265 HydrophobicContact CD2-CZ 4.35Å
254A87.5Confident83Confident6 Ų665.9 Ų65.95%0.0537%0.368CS..Hα-helixtrans-62-47.5-172.700000112.6I247 T248 S251 L256 Q258I247-A254 HydrophobicContact CG2-CB 3.77Å; T248-A254 VanDerWaalsContact O-CB 3.32Å; T248-A254 WeakPolarHBondContact O-CB 3.46Å; S251-A254 WeakPolarHBondContact O-CB 3.5Å; S251-A254 PolarHBondContact O-N 2.94Å; S251-A254 VanDerWaalsContact O-N 3.14Å; A254-L256 VanDerWaalsContact C-N 3.34Å; A254-Q258 WeakPolarHBondContact O-CG 3.44Å
255T84.4Confident82.9Confident87 Ų8764 Ų6453%0.53436%0.36SS..Hα-helixtrans-71.5-32.6177.6540000111.7L253 H259L253-T255 PolarHBondContact O-N 3.06Å; T255-H259 PolarHBondContact O-CE1 2.94Å; T255-H259 PolarHBondContact O-ND1 2.87Å
256L85.1Confident82.9Confident7 Ų763.1 Ų63.14%0.03736%0.356CS..Hα-helixtrans-71.1-44.1-176.1-60.6178.7000112.2L208 P252 L253 A254 P262 S263 F265L208-L256 HydrophobicContact CD1-CD1 4.38Å; L208-L256 HydrophobicContact CD2-CD1 3.71Å; P252-L256 WeakPolarHBondContact O-CD1 3.34Å; L253-L256 HydrophobicContact CD2-CD1 4.45Å; L253-L256 PolarHBondContact O-N 3.43Å; A254-L256 VanDerWaalsContact C-N 3.34Å; L256-P262 VanDerWaalsContact O-CB 3.32Å; L256-P262 WeakPolarHBondContact O-CB 3.45Å; L256-S263 VanDerWaalsContact CD2-OG 3.23Å; L256-S263 WeakPolarHBondContact CD2-OG 3.44Å; L256-F265 HydrophobicContact CB-CD1 4Å; L256-F265 HydrophobicContact CB-CE1 3.82Å; L256-F265 HydrophobicContact CD1-CB 4.23Å; L256-F265 HydrophobicContact CD1-CD1 3.8Å; L256-F265 HydrophobicContact CD1-CE1 4.31Å; L256-F265 HydrophobicContact CD1-CG 3.99Å; L256-F265 HydrophobicContact CD2-CD1 4.44Å; L256-F265 HydrophobicContact CG-CD1 4.31Å
257L83.1Confident83.1Confident25 Ų2560.7 Ų60.713%0.13134%0.339CS..Hα-helixtrans-83.8-8.7-175.4-64.9173.2000113.9V178 I247 L253 F265 I293 L295V178-L257 HydrophobicContact CG2-CD1 4.12Å; I247-L257 HydrophobicContact CD1-CD1 3.68Å; L253-L257 HydrophobicContact CB-CD1 3.98Å; L253-L257 HydrophobicContact CB-CG 4.46Å; L253-L257 WeakPolarHBondContact O-CB 3.43Å; L253-L257 WeakPolarHBondContact O-CG 3.44Å; L253-L257 PolarHBondContact O-N 3.43Å; L257-F265 HydrophobicContact CD2-CE1 4.45Å; L257-F265 HydrophobicContact CD2-CZ 3.92Å; L257-I293 HydrophobicContact CD2-CD1 4.34Å; L257-I293 HydrophobicContact CD2-CG2 3.98Å; L257-L295 HydrophobicContact CD2-CD2 4.44Å
258Q75.6Confident83.3Confident151 Ų15159.7 Ų59.771%0.70633%0.334SS*.Hα-helixtrans-84.1-19.9177.2-78.3173.712.300114A254A254-Q258 WeakPolarHBondContact O-CG 3.44Å
259H69.6Low83.6Confident123 Ų12357 Ų5757%0.56932%0.318SS*.SBendtrans-86.4136.2-177.9-72.172.9000110.7T255 N261 P262T255-H259 PolarHBondContact O-CE1 2.94Å; T255-H259 PolarHBondContact O-ND1 2.87Å; H259-N261 PolarHBondContact O-N 3.43Å; H259-P262 WeakPolarHBondContact O-CD 3.41Å
260E62.5Low83.9Confident194 Ų19452.7 Ų52.791%0.90729%0.285SS*.SBendtrans-59.2-28.2175.7-71.4-171.9153.700112.7
261N65.3Low84.2Confident151 Ų15147.6 Ų47.681%0.80725%0.249SC*.SBendtrans-120.886.5170.3-78.8-38.8000109.3H259 S263H259-N261 PolarHBondContact O-N 3.43Å; N261-S263 PolarHBondContact O-N 3.25Å
262P66.6Low84.3Confident49 Ų4948.8 Ų48.832%0.31826%0.258SS..PPolyproline II helixtrans-59.1137.7178.623.7-33000110.4L256 H259 F265 P290L256-P262 VanDerWaalsContact O-CB 3.32Å; L256-P262 WeakPolarHBondContact O-CB 3.45Å; H259-P262 WeakPolarHBondContact O-CD 3.41Å; P262-F265 HydrophobicContact CB-CE1 4.11Å; P262-P290 HydrophobicContact CB-CB 4.35Å; P262-P290 HydrophobicContact CG-CB 3.78Å
263S73.5Confident84.5Confident57 Ų5746.9 Ų46.940%0.39925%0.245SC..PPolyproline II helixtrans-55.2150.1167.263.80000110.2Q210 L256 N261 F265Q210-S263 PolarHBondContact NE2-OG 3.39Å; L256-S263 VanDerWaalsContact CD2-OG 3.23Å; L256-S263 WeakPolarHBondContact CD2-OG 3.44Å; N261-S263 PolarHBondContact O-N 3.25Å; S263-F265 VanDerWaalsContact O-CD1 3.32Å; S263-F265 WeakPolarHBondContact O-CD1 3.36Å; S263-F265 PolarHBondContact O-N 2.87Å; S263-F265 VanDerWaalsContact O-N 3.12Å
264H84Confident84.6Confident49 Ų4950 Ų5023%0.22726%0.26CS..PPolyproline II helixtrans-63.4118-177.6-176.1-89.9000110.9Y17Y17-H264 WeakPolarHBondContact CB-CD2 3.41Å; Y17-H264 VanDerWaalsContact CB-CE1 3.45Å; Y17-H264 WeakPolarHBondContact CB-CE1 3.21Å; Y17-H264 WeakPolarHBondContact CB-NE2 3.32Å; Y17-H264 HydrophobicContact CD1-CB 4.33Å; Y17-H264 AromaticContact CD1-CG 3.81Å; Y17-H264 AromaticContact CD1-ND1 3.71Å; Y17-H264 HydrophobicContact CD2-CB 3.86Å; Y17-H264 AromaticContact CD2-CD2 3.58Å; Y17-H264 AromaticContact CD2-CG 3.62Å; Y17-H264 HydrophobicContact CE1-CB 4.33Å; Y17-H264 HydrophobicContact CE2-CB 3.86Å; Y17-H264 HydrophobicContact CG-CB 4.11Å; Y17-H264 AromaticContact CG-CD2 3.45Å; Y17-H264 VanDerWaalsContact CG-CD2 3.45Å; Y17-H264 AromaticContact CG-CE1 3.85Å; Y17-H264 AromaticContact CG-CG 3.45Å; Y17-H264 VanDerWaalsContact CG-CG 3.45Å; Y17-H264 AromaticContact CG-ND1 3.7Å; Y17-H264 AromaticContact CG-NE2 3.72Å
265F90.9Very high84.5Confident1 Ų152 Ų520%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-137.3158.7172.670.8-98.2000110.2L208 Y209 L253 L256 L257 P262 S263 P290 I293L208-F265 HydrophobicContact CD1-CB 3.91Å; L208-F265 HydrophobicContact CD1-CD2 3.37Å; L208-F265 HydrophobicContact CD1-CE2 4.14Å; L208-F265 HydrophobicContact CD1-CG 3.89Å; Y209-F265 CarbonylContact O-C 3.53Å; Y209-F265 VanDerWaalsContact O-CA 3.24Å; Y209-F265 WeakPolarHBondContact O-CA 3.19Å; Y209-F265 WeakPolarHBondContact O-CB 3.17Å; L253-F265 HydrophobicContact CD2-CE2 4.06Å; L253-F265 HydrophobicContact CD2-CZ 4.35Å; L256-F265 HydrophobicContact CB-CD1 4Å; L256-F265 HydrophobicContact CB-CE1 3.82Å; L256-F265 HydrophobicContact CD1-CB 4.23Å; L256-F265 HydrophobicContact CD1-CD1 3.8Å; L256-F265 HydrophobicContact CD1-CE1 4.31Å; L256-F265 HydrophobicContact CD1-CG 3.99Å; L256-F265 HydrophobicContact CD2-CD1 4.44Å; L256-F265 HydrophobicContact CG-CD1 4.31Å; L257-F265 HydrophobicContact CD2-CE1 4.45Å; L257-F265 HydrophobicContact CD2-CZ 3.92Å; P262-F265 HydrophobicContact CB-CE1 4.11Å; S263-F265 VanDerWaalsContact O-CD1 3.32Å; S263-F265 WeakPolarHBondContact O-CD1 3.36Å; S263-F265 PolarHBondContact O-N 2.87Å; S263-F265 VanDerWaalsContact O-N 3.12Å; F265-P290 HydrophobicContact CD1-CG 3.81Å; F265-P290 HydrophobicContact CD2-CG 4.39Å; F265-P290 HydrophobicContact CE1-CB 3.97Å; F265-P290 HydrophobicContact CE1-CG 3.73Å; F265-P290 HydrophobicContact CE2-CG 4.33Å; F265-P290 HydrophobicContact CG-CG 4.15Å; F265-P290 HydrophobicContact CZ-CB 4.14Å; F265-P290 HydrophobicContact CZ-CG 4.01Å; F265-P290 WeakPolarHBondContact O-CD 3.45Å; F265-P290 WeakPolarHBondContact O-CG 3.2Å; F265-I293 HydrophobicContact CE2-CD1 3.64Å; F265-I293 HydrophobicContact CZ-CD1 3.73Å
266E94.1Very high84.5Confident0 Ų053.1 Ų53.10%027%0.268CS..EExtended strand (participates in β ladder)trans-130.7121.9172.8-176.9172.7174.800109R19 M20 V21 Y209 V268 S287 L289R19-E266 VanDerWaalsContact CG-OE1 3.3Å; R19-E266 WeakPolarHBondContact CG-OE1 3.45Å; M20-E266 WeakPolarHBondContact CB-OE2 3.43Å; M20-E266 HydrophobicContact CE-CB 3.77Å; M20-E266 HydrophobicContact CE-CG 4.42Å; M20-E266 VanDerWaalsContact CE-OE2 3.32Å; M20-E266 WeakPolarHBondContact CE-OE2 3.32Å; M20-E266 PolarHBondContact N-OE2 3.28Å; V21-E266 PolarHBondContact N-OE1 3.44Å; V21-E266 VanDerWaalsContact O-OE1 3.1Å; Y209-E266 PolarHBondContact N-O 3.45Å; Y209-E266 PolarHBondContact O-N 2.85Å; E266-V268 HydrophobicContact CG-CG2 4.13Å; E266-S287 WeakPolarHBondContact OE1-CB 3.25Å; E266-S287 PolarHBondContact OE1-OG 3.46Å; E266-L289 HydrophobicContact CB-CD2 4.18Å; E266-L289 HydrophobicContact CG-CD2 4.01Å
267L95.3Very high84.3Confident0 Ų056.8 Ų56.80%031%0.308CS..EExtended strand (participates in β ladder)trans-93.4109.9174.9179.468.7000108.9L187 A206 L208 V222 F224 V269 S287 Y288L187-L267 HydrophobicContact CD2-CD2 3.56Å; A206-L267 HydrophobicContact CB-CD1 4.02Å; L208-L267 HydrophobicContact CB-CD1 4.42Å; L208-L267 HydrophobicContact CD1-CB 4.49Å; V222-L267 HydrophobicContact CB-CD1 4.33Å; V222-L267 HydrophobicContact CG2-CD1 4.16Å; F224-L267 HydrophobicContact CE2-CD2 4.41Å; F224-L267 HydrophobicContact CZ-CD2 4.09Å; L267-V269 HydrophobicContact CG-CG2 4.34Å; L267-S287 CarbonylContact O-C 3.56Å; L267-S287 WeakPolarHBondContact O-CA 3.34Å; L267-Y288 HydrophobicContact CD2-CD2 4.45Å; L267-Y288 PolarHBondContact N-O 2.9Å; L267-Y288 PolarHBondContact O-N 3.37Å
268V96.3Very high84.2Confident0 Ų059.5 Ų59.50%033%0.326CS..EExtended strand (participates in β ladder)trans-97.8125.8177.1-175.30000109.1V21 A206 I207 Y209 E266 F270 T286V21-V268 HydrophobicContact CB-CG1 4.3Å; V21-V268 HydrophobicContact CB-CG2 4.1Å; V21-V268 HydrophobicContact CG1-CG1 4.21Å; V21-V268 HydrophobicContact CG2-CG1 4.11Å; V21-V268 HydrophobicContact CG2-CG2 3.88Å; A206-V268 CarbonylContact C-O 3.59Å; A206-V268 VanDerWaalsContact CA-O 3.23Å; A206-V268 WeakPolarHBondContact CA-O 3.26Å; I207-V268 PolarHBondContact N-O 3.16Å; I207-V268 PolarHBondContact O-N 2.9Å; Y209-V268 HydrophobicContact CD2-CB 4.29Å; Y209-V268 HydrophobicContact CD2-CG2 3.62Å; Y209-V268 HydrophobicContact CE2-CB 3.9Å; Y209-V268 HydrophobicContact CE2-CG2 3.51Å; E266-V268 HydrophobicContact CG-CG2 4.13Å; V268-F270 HydrophobicContact CB-CE2 3.96Å; V268-F270 HydrophobicContact CB-CZ 4.22Å; V268-F270 HydrophobicContact CG1-CD2 4.28Å; V268-F270 HydrophobicContact CG1-CE1 4.19Å; V268-F270 HydrophobicContact CG1-CE2 3.53Å; V268-F270 HydrophobicContact CG1-CZ 3.47Å; V268-F270 VanDerWaalsContact CG1-CZ 3.47Å; V268-T286 WeakPolarHBondContact CA-O 3.17Å
269V96.4Very high84.6Confident0 Ų054.3 Ų54.30%031%0.313CS..EExtended strand (participates in β ladder)trans-109.5133.2179.4-178.20000109.3F172 F189 V204 A206 L267 R285 T286 Y288F172-V269 HydrophobicContact CE1-CG1 3.88Å; F172-V269 HydrophobicContact CZ-CG1 4.3Å; F189-V269 HydrophobicContact CE1-CG1 4.1Å; F189-V269 HydrophobicContact CE1-CG2 4.01Å; F189-V269 HydrophobicContact CE2-CG1 4.02Å; F189-V269 HydrophobicContact CZ-CG1 3.56Å; F189-V269 HydrophobicContact CZ-CG2 4.31Å; V204-V269 HydrophobicContact CG1-CG1 3.76Å; A206-V269 HydrophobicContact CB-CG2 4.08Å; L267-V269 HydrophobicContact CG-CG2 4.34Å; V269-R285 VanDerWaalsContact O-CA 3.26Å; V269-R285 WeakPolarHBondContact O-CA 3.33Å; V269-T286 HydrophobicContact CB-CG2 4.1Å; V269-T286 PolarHBondContact N-O 3.26Å; V269-T286 PolarHBondContact O-N 3.46Å; V269-Y288 HydrophobicContact CG2-CD2 4.03Å; V269-Y288 HydrophobicContact CG2-CE2 3.82Å
270F95.1Very high85.3Confident48 Ų4853.1 Ų53.121%0.21131%0.307CS..EExtended strand (participates in β ladder)trans-116.4128.7179.4-55.1-101.5000108.1V204 S205 I207 V268 R285V204-F270 VanDerWaalsContact CA-O 3.29Å; V204-F270 WeakPolarHBondContact CA-O 3.27Å; S205-F270 PolarHBondContact N-O 3.12Å; S205-F270 PolarHBondContact O-N 3.44Å; I207-F270 HydrophobicContact CB-CE2 4.19Å; I207-F270 HydrophobicContact CD1-CE2 3.84Å; I207-F270 HydrophobicContact CD1-CZ 4.22Å; I207-F270 HydrophobicContact CG1-CE2 3.91Å; V268-F270 HydrophobicContact CB-CE2 3.96Å; V268-F270 HydrophobicContact CB-CZ 4.22Å; V268-F270 HydrophobicContact CG1-CD2 4.28Å; V268-F270 HydrophobicContact CG1-CE1 4.19Å; V268-F270 HydrophobicContact CG1-CE2 3.53Å; V268-F270 HydrophobicContact CG1-CZ 3.47Å; V268-F270 VanDerWaalsContact CG1-CZ 3.47Å; F270-R285 HydrophobicContact CB-CG 4.49Å; F270-R285 HydrophobicContact CD1-CB 4.49Å; F270-R285 VanDerWaalsContact CD1-CD 3.4Å; F270-R285 HydrophobicContact CD1-CG 3.44Å; F270-R285 VanDerWaalsContact CD1-CG 3.44Å; F270-R285 VanDerWaalsContact CE1-CD 3.43Å; F270-R285 HydrophobicContact CE1-CG 3.93Å; F270-R285 HydrophobicContact CG-CG 4.21Å
271L94.1Very high86.6Confident1 Ų149 Ų491%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-116.8128.7170.4-178.4158.4000108.8I170 F172 V191 V202 R203 V204 A273 Q283 R284I170-L271 HydrophobicContact CD1-CD2 3.64Å; I170-L271 HydrophobicContact CG2-CD1 4.05Å; I170-L271 HydrophobicContact CG2-CD2 4.17Å; F172-L271 HydrophobicContact CE1-CB 4.28Å; F172-L271 HydrophobicContact CE2-CB 4.41Å; F172-L271 HydrophobicContact CZ-CB 3.56Å; F172-L271 HydrophobicContact CZ-CD1 4.35Å; V191-L271 HydrophobicContact CB-CD1 4.2Å; V191-L271 HydrophobicContact CG1-CD1 3.88Å; V191-L271 HydrophobicContact CG2-CD1 3.48Å; V191-L271 VanDerWaalsContact CG2-CD1 3.48Å; V202-L271 HydrophobicContact CG1-CD1 3.78Å; V202-L271 HydrophobicContact CG1-CD2 4Å; V202-L271 HydrophobicContact CG1-CG 3.78Å; R203-L271 WeakPolarHBondContact O-CA 3.41Å; V204-L271 HydrophobicContact CG2-CB 4.21Å; V204-L271 HydrophobicContact CG2-CD1 4.18Å; V204-L271 HydrophobicContact CG2-CG 4.16Å; L271-A273 HydrophobicContact CD2-CB 3.84Å; L271-Q283 CarbonylContact O-C 3.32Å; L271-Q283 VanDerWaalsContact O-CA 3.28Å; L271-Q283 WeakPolarHBondContact O-CA 3.35Å; L271-R284 PolarHBondContact N-O 2.89Å; L271-R284 PolarHBondContact O-N 3.48Å
272S92.9Very high87.7Confident34 Ų3442 Ų4224%0.23825%0.253CS..EExtended strand (participates in β ladder)trans-114.4131.4171.9-172.90000108.6V202 R203 I281V202-S272 WeakPolarHBondContact CA-O 3.4Å; R203-S272 PolarHBondContact N-O 3.33Å; R203-S272 PolarHBondContact O-N 2.93Å; S272-I281 VanDerWaalsContact OG-CG2 3.27Å; S272-I281 WeakPolarHBondContact OG-CG2 3.49Å
273A92.3Very high88.8Confident1 Ų145.7 Ų45.71%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-145149.5178.700000110.5L199 V202 L271 C282L199-A273 HydrophobicContact CB-CB 4.06Å; L199-A273 HydrophobicContact CD1-CB 4.11Å; L199-A273 HydrophobicContact CG-CB 4.49Å; V202-A273 HydrophobicContact CB-CB 4.46Å; V202-A273 HydrophobicContact CG1-CB 4.47Å; V202-A273 HydrophobicContact CG2-CB 3.82Å; L271-A273 HydrophobicContact CD2-CB 3.84Å; A273-C282 PolarHBondContact N-O 3.44Å; A273-C282 PolarHBondContact O-N 3.12Å; A273-C282 PolarHBondContact O-SG 3.27Å
274M91.1Very high89.7Confident65 Ų6544.5 Ų44.532%0.3225%0.253SS..EExtended strand (participates in β ladder)trans-97.2137.1178.5-170.9170.865.900110.5L199 T200 G279L199-M274 CarbonylContact C-O 3.55Å; L199-M274 WeakPolarHBondContact CA-O 3.28Å; T200-M274 PolarHBondContact N-O 3.5Å; T200-M274 PolarHBondContact O-N 3.43Å; T200-M274 WeakPolarHBondContact OG1-CE 3.39Å; T200-M274 PolarHBondContact OG1-O 3.15Å; M274-G279 WeakPolarHBondContact CG-O 3.45Å
275Q87.2Confident90.2Very high48 Ų4847.6 Ų47.622%0.22426%0.262CS..EExtended strand (participates in β ladder)trans-82.8124.6175.2178.5173.1-14.300110.8L199 T278 G279 E280L199-Q275 HydrophobicContact CD2-CB 4.24Å; Q275-T278 WeakPolarHBondContact CB-OG1 3.43Å; Q275-T278 WeakPolarHBondContact CG-OG1 3.33Å; Q275-T278 PolarHBondContact O-N 2.77Å; Q275-T278 PolarHBondContact O-OG1 2.93Å; Q275-G279 PolarHBondContact O-N 2.83Å; Q275-E280 PolarHBondContact N-O 2.93Å
276E83.7Confident90.5Very high111 Ų11147.7 Ų47.752%0.51926%0.263SS..THydrogen-bonded Turntrans-58138.7174.6-167.8-179.3-138.200111.2P198 T278P198-E276 WeakPolarHBondContact CD-OE2 3.36Å; P198-E276 HydrophobicContact CG-CB 4.25Å; P198-E276 WeakPolarHBondContact CG-OE2 3.39Å; E276-T278 VanDerWaalsContact C-N 3.28Å; E276-T278 PolarHBondContact O-N 2.99Å
277G80.8Confident90.6Very high84 Ų8447.7 Ų47.787%0.86626%0.263SS*.THydrogen-bonded Turntrans85.8-46-178.300000114.4
278T80.9Confident90.6Very high83 Ų8347.7 Ų47.751%0.50926%0.263SS..THydrogen-bonded Turntrans-89.8-26-178.452.40000114Q275 E276 E280Q275-T278 WeakPolarHBondContact CB-OG1 3.43Å; Q275-T278 WeakPolarHBondContact CG-OG1 3.33Å; Q275-T278 PolarHBondContact O-N 2.77Å; Q275-T278 PolarHBondContact O-OG1 2.93Å; E276-T278 VanDerWaalsContact C-N 3.28Å; E276-T278 PolarHBondContact O-N 2.99Å; T278-E280 PolarHBondContact O-N 3.47Å; T278-E280 VanDerWaalsContact O-N 3.12Å
279G83.7Confident90.4Very high42 Ų4249 Ų4943%0.43327%0.27SS..  trans71.1-2.9-174.100000114.8M274 Q275M274-G279 WeakPolarHBondContact CG-O 3.45Å; Q275-G279 PolarHBondContact O-N 2.83Å
280E85.1Confident90.2Very high98 Ų9850.3 Ų50.346%0.45828%0.279SS..  trans-66.2139177.7-73.7-69.6142.500112.1P163 Q275 T278P163-E280 HydrophobicContact CB-CB 4.48Å; P163-E280 HydrophobicContact CG-CB 4.07Å; Q275-E280 PolarHBondContact N-O 2.93Å; T278-E280 PolarHBondContact O-N 3.47Å; T278-E280 VanDerWaalsContact O-N 3.12Å
281I88.7Confident90Very high106 Ų10653 Ų5354%0.54430%0.304SS..EExtended strand (participates in β ladder)trans-89.4126.1177.9-59.2173.7000109.2S272 Q283S272-I281 VanDerWaalsContact OG-CG2 3.27Å; S272-I281 WeakPolarHBondContact OG-CG2 3.49Å; I281-Q283 HydrophobicContact CG2-CG 4.34Å
282C88.6Confident90Very high4 Ų454.7 Ų54.73%0.02731%0.311CS..EExtended strand (participates in β ladder)trans-107.1140.3170.568.20000110.5R166 A273R166-C282 HydrophobicContact CB-CB 4.46Å; R166-C282 HydrophobicContact CG-CB 4.36Å; A273-C282 PolarHBondContact N-O 3.44Å; A273-C282 PolarHBondContact O-N 3.12Å; A273-C282 PolarHBondContact O-SG 3.27Å
283Q90.6Very high90Very high127 Ų12753.6 Ų53.659%0.59330%0.303SS*.EExtended strand (participates in β ladder)trans-124.3131.5179.2-67.6-174.2-2000110.5A167 L271 I281A167-Q283 WeakPolarHBondContact CB-O 3.32Å; L271-Q283 CarbonylContact O-C 3.32Å; L271-Q283 VanDerWaalsContact O-CA 3.28Å; L271-Q283 WeakPolarHBondContact O-CA 3.35Å; I281-Q283 HydrophobicContact CG2-CG 4.34Å
284R92.6Very high90.1Very high32 Ų3255.8 Ų55.812%0.12131%0.313CS..EExtended strand (participates in β ladder)trans-124.4146.4172.9-170.566167.9156.39.6108.7D24 A167 I170 F172 L271D24-R284 PolarHBondContact O-NH1 2.93Å; D24-R284 IonicContact OD1-NH2 2.69Å; D24-R284 PolarHBondContact OD1-NH2 2.75Å; A167-R284 VanDerWaalsContact O-CD 3.31Å; A167-R284 WeakPolarHBondContact O-CD 3.04Å; I170-R284 HydrophobicContact CB-CB 4.05Å; I170-R284 HydrophobicContact CB-CG 4.14Å; I170-R284 HydrophobicContact CD1-CB 4.36Å; I170-R284 HydrophobicContact CG2-CB 4.15Å; I170-R284 HydrophobicContact CG2-CG 4.31Å; I170-R284 PolarHBondContact O-NE 2.82Å; F172-R284 HydrophobicContact CD2-CG 4.16Å; F172-R284 HydrophobicContact CE2-CB 4.09Å; F172-R284 HydrophobicContact CE2-CG 3.72Å; L271-R284 PolarHBondContact N-O 2.89Å; L271-R284 PolarHBondContact O-N 3.48Å
285R94.4Very high90.1Very high114 Ų11456.1 Ų56.143%0.4332%0.316SS..EExtended strand (participates in β ladder)trans-133.9148.4-177.6-61.8172.6-73.7-162.2-5.5109.3G25 V269 F270G25-R285 VanDerWaalsContact CA-O 3.28Å; G25-R285 WeakPolarHBondContact CA-O 3.24Å; G25-R285 PolarHBondContact N-O 2.83Å; V269-R285 VanDerWaalsContact O-CA 3.26Å; V269-R285 WeakPolarHBondContact O-CA 3.33Å; F270-R285 HydrophobicContact CB-CG 4.49Å; F270-R285 HydrophobicContact CD1-CB 4.49Å; F270-R285 VanDerWaalsContact CD1-CD 3.4Å; F270-R285 HydrophobicContact CD1-CG 3.44Å; F270-R285 VanDerWaalsContact CD1-CG 3.44Å; F270-R285 VanDerWaalsContact CE1-CD 3.43Å; F270-R285 HydrophobicContact CE1-CG 3.93Å; F270-R285 HydrophobicContact CG-CG 4.21Å
286T95.9Very high90.2Very high4 Ų459.4 Ų59.43%0.02533%0.331CS..EExtended strand (participates in β ladder)trans-143.8168.8170-170.80000109K23 F172 V268 V269 Y288K23-T286 PolarHBondContact O-OG1 3.36Å; F172-T286 HydrophobicContact CB-CG2 3.75Å; F172-T286 HydrophobicContact CD1-CG2 3.76Å; F172-T286 HydrophobicContact CD2-CG2 3.6Å; F172-T286 HydrophobicContact CE1-CG2 4.18Å; F172-T286 HydrophobicContact CE2-CG2 4.03Å; F172-T286 HydrophobicContact CG-CG2 3.43Å; F172-T286 VanDerWaalsContact CG-CG2 3.43Å; F172-T286 HydrophobicContact CZ-CG2 4.28Å; V268-T286 WeakPolarHBondContact CA-O 3.17Å; V269-T286 HydrophobicContact CB-CG2 4.1Å; V269-T286 PolarHBondContact N-O 3.26Å; V269-T286 PolarHBondContact O-N 3.46Å; T286-Y288 HydrophobicContact CG2-CE2 3.84Å
287S95.9Very high90.6Very high0 Ų056.5 Ų56.50%032%0.317CS..EExtended strand (participates in β ladder)trans-135.2150.8168.983.90000112.9R19 V21 K23 E266 L267R19-S287 PolarHBondContact NH1-O 2.96Å; R19-S287 PolarHBondContact NH1-OG 2.98Å; V21-S287 WeakPolarHBondContact O-CB 3.5Å; V21-S287 PolarHBondContact O-OG 3.49Å; K23-S287 WeakPolarHBondContact CD-O 3.41Å; K23-S287 VanDerWaalsContact CE-O 3.29Å; K23-S287 WeakPolarHBondContact CE-O 2.96Å; K23-S287 PolarHBondContact NZ-O 2.93Å; E266-S287 WeakPolarHBondContact OE1-CB 3.25Å; E266-S287 PolarHBondContact OE1-OG 3.46Å; L267-S287 CarbonylContact O-C 3.56Å; L267-S287 WeakPolarHBondContact O-CA 3.34Å
288Y95.6Very high91.2Very high0 Ų054.6 Ų54.60%029%0.29CS..EExtended strand (participates in β ladder)trans-117.5118.9175.3-57.5-78.4000109.2K23 T173 A176 F189 L267 V269 T286 E292K23-Y288 VanDerWaalsContact NZ-CD1 3.31Å; T173-Y288 WeakPolarHBondContact O-CE1 3.37Å; T173-Y288 PolarHBondContact O-OH 2.95Å; A176-Y288 HydrophobicContact CB-CD1 3.87Å; A176-Y288 HydrophobicContact CB-CD2 4.41Å; A176-Y288 HydrophobicContact CB-CE1 4.08Å; A176-Y288 HydrophobicContact CB-CG 4.06Å; F189-Y288 HydrophobicContact CB-CE2 4.29Å; F189-Y288 WeakPolarHBondContact CB-OH 3.38Å; F189-Y288 HydrophobicContact CD1-CE2 4.28Å; F189-Y288 HydrophobicContact CG-CE2 4.23Å; L267-Y288 HydrophobicContact CD2-CD2 4.45Å; L267-Y288 PolarHBondContact N-O 2.9Å; L267-Y288 PolarHBondContact O-N 3.37Å; V269-Y288 HydrophobicContact CG2-CD2 4.03Å; V269-Y288 HydrophobicContact CG2-CE2 3.82Å; T286-Y288 HydrophobicContact CG2-CE2 3.84Å; Y288-E292 WeakPolarHBondContact CA-OE2 3.43Å
289L93.4Very high91.8Very high28 Ų2851.8 Ų51.815%0.14727%0.271CS..  trans-80.6164.1168.1-62.6177.9000110.1R19 E266 S291 E292 I293R19-L289 VanDerWaalsContact NH2-CD1 3.34Å; E266-L289 HydrophobicContact CB-CD2 4.18Å; E266-L289 HydrophobicContact CG-CD2 4.01Å; L289-S291 PolarHBondContact O-N 3.49Å; L289-E292 HydrophobicContact CB-CG 4.19Å; L289-E292 PolarHBondContact N-OE2 3.01Å; L289-E292 WeakPolarHBondContact O-CA 3.47Å; L289-E292 WeakPolarHBondContact O-CB 3.35Å; L289-E292 PolarHBondContact O-N 3.46Å; L289-I293 PolarHBondContact O-N 3.4Å
290P91.7Very high92.2Very high27 Ų2750.6 Ų50.618%0.17526%0.257CS..G310 helixtrans-59.9-34.8179.7-22.936.4000111.7P262 F265 E292 I293P262-P290 HydrophobicContact CB-CB 4.35Å; P262-P290 HydrophobicContact CG-CB 3.78Å; F265-P290 HydrophobicContact CD1-CG 3.81Å; F265-P290 HydrophobicContact CD2-CG 4.39Å; F265-P290 HydrophobicContact CE1-CB 3.97Å; F265-P290 HydrophobicContact CE1-CG 3.73Å; F265-P290 HydrophobicContact CE2-CG 4.33Å; F265-P290 HydrophobicContact CG-CG 4.15Å; F265-P290 HydrophobicContact CZ-CB 4.14Å; F265-P290 HydrophobicContact CZ-CG 4.01Å; F265-P290 WeakPolarHBondContact O-CD 3.45Å; F265-P290 WeakPolarHBondContact O-CG 3.2Å; P290-E292 PolarHBondContact O-N 3.5Å; P290-I293 PolarHBondContact O-N 2.97Å
291S90.6Very high92.3Very high105 Ų10550 Ų5073%0.73426%0.264SS*.G310 helixtrans-68-12174.860.30000114.6L289L289-S291 PolarHBondContact O-N 3.49Å
292E94.1Very high92.2Very high35 Ų3545.8 Ų45.816%0.16424%0.242CC..G310 helixtrans-107.24.4-179.6-56.8179.4142.100112.1R19 K23 T175 A176 Y288 L289 P290R19-E292 IonicContact CZ-OE1 2.69Å; R19-E292 IonicContact CZ-OE2 2.6Å; R19-E292 IonicContact NH1-OE2 3.64Å; R19-E292 PolarHBondContact NH1-OE2 2.83Å; R19-E292 IonicContact NH2-OE1 3.55Å; R19-E292 PolarHBondContact NH2-OE1 3.39Å; R19-E292 IonicContact NH2-OE2 3.58Å; R19-E292 PolarHBondContact NH2-OE2 2.88Å; K23-E292 WeakPolarHBondContact CE-OE1 3.39Å; K23-E292 WeakPolarHBondContact CE-OE2 3.25Å; K23-E292 VanDerWaalsContact NZ-CD 3.29Å; K23-E292 IonicContact NZ-OE1 3.94Å; K23-E292 IonicContact NZ-OE2 3.34Å; K23-E292 PolarHBondContact NZ-OE2 3.39Å; T175-E292 WeakPolarHBondContact CA-O 3.32Å; T175-E292 WeakPolarHBondContact CB-O 3.49Å; A176-E292 PolarHBondContact N-O 2.91Å; Y288-E292 WeakPolarHBondContact CA-OE2 3.43Å; L289-E292 HydrophobicContact CB-CG 4.19Å; L289-E292 PolarHBondContact N-OE2 3.01Å; L289-E292 WeakPolarHBondContact O-CA 3.47Å; L289-E292 WeakPolarHBondContact O-CB 3.35Å; L289-E292 PolarHBondContact O-N 3.46Å; P290-E292 PolarHBondContact O-N 3.5Å
293I94.1Very high92Very high12 Ų1250.1 Ų50.16%0.06227%0.265CS..EExtended strand (participates in β ladder)trans-105.5109.5173.9-61.6169.7000107.1A176 V178 L187 L257 F265 L289 P290A176-I293 HydrophobicContact CB-CG1 4.27Å; A176-I293 CarbonylContact O-C 3.58Å; A176-I293 WeakPolarHBondContact O-CA 3.24Å; V178-I293 HydrophobicContact CG2-CG2 3.81Å; L187-I293 HydrophobicContact CD1-CG1 4.48Å; L187-I293 HydrophobicContact CD1-CG2 3.64Å; L257-I293 HydrophobicContact CD2-CD1 4.34Å; L257-I293 HydrophobicContact CD2-CG2 3.98Å; F265-I293 HydrophobicContact CE2-CD1 3.64Å; F265-I293 HydrophobicContact CZ-CD1 3.73Å; L289-I293 PolarHBondContact O-N 3.4Å; P290-I293 PolarHBondContact O-N 2.97Å
294M92.9Very high91.6Very high47 Ų4745.9 Ų45.923%0.23225%0.247CC..EExtended strand (participates in β ladder)trans-93.1118.5-177.1-48-160.1-29.100111T175 A176 V177 V178 H297 T321T175-M294 HydrophobicContact CG2-CG 4.47Å; T175-M294 HydrophobicContact CG2-SD 4.46Å; A176-M294 PolarHBondContact O-N 2.98Å; V177-M294 CarbonylContact C-O 3.58Å; V177-M294 VanDerWaalsContact CA-O 3.32Å; V177-M294 WeakPolarHBondContact CA-O 3.35Å; V177-M294 HydrophobicContact CG1-CB 4.37Å; V177-M294 HydrophobicContact CG1-CE 4.39Å; V178-M294 PolarHBondContact N-O 3.44Å; M294-H297 HydrophobicContact CB-CB 4.22Å; M294-H297 HydrophobicContact CE-CB 3.73Å; M294-H297 WeakPolarHBondContact CE-CD2 3.36Å; M294-H297 VanDerWaalsContact CE-CG 3.41Å; M294-T321 HydrophobicContact CE-CG2 3.82Å; M294-T321 WeakPolarHBondContact CE-OG1 3.4Å
295L91.1Very high91.2Very high72 Ų7253.2 Ų53.238%0.37728%0.275SS..EExtended strand (participates in β ladder)trans-77.2146.8177.1-56.1177.9000111V178 L257 H297V178-L295 HydrophobicContact CB-CD2 3.89Å; V178-L295 HydrophobicContact CG1-CD2 4.46Å; V178-L295 HydrophobicContact CG2-CD2 3.71Å; L257-L295 HydrophobicContact CD2-CD2 4.44Å; L295-H297 VanDerWaalsContact C-N 3.29Å; L295-H297 PolarHBondContact O-N 3.27Å; L295-H297 PolarHBondContact O-ND1 3.42Å
296H89.8Confident90.6Very high117 Ų11748.5 Ų48.554%0.54226%0.262SS..THydrogen-bonded Turntrans5740.3177.2-45.498.1000113.2V178 E324V178-H296 WeakPolarHBondContact O-CA 3.43Å; V178-H296 PolarHBondContact O-N 3.44Å; H296-E324 WeakPolarHBondContact O-CB 3.41Å; H296-E324 PolarHBondContact O-N 3.5Å
297H92.8Very high90Very high49 Ų4954.7 Ų54.723%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-132.3151.8177-77.573.1000109.7V177 V178 A179 M294 L295 V322V177-H297 HydrophobicContact CB-CB 4.24Å; V177-H297 WeakPolarHBondContact CB-O 3.38Å; V177-H297 HydrophobicContact CG1-CB 4.12Å; V177-H297 WeakPolarHBondContact CG2-O 3.32Å; V178-H297 CarbonylContact C-O 3.55Å; V178-H297 PolarHBondContact O-N 2.83Å; A179-H297 WeakPolarHBondContact CB-O 3.12Å; M294-H297 HydrophobicContact CB-CB 4.22Å; M294-H297 HydrophobicContact CE-CB 3.73Å; M294-H297 WeakPolarHBondContact CE-CD2 3.36Å; M294-H297 VanDerWaalsContact CE-CG 3.41Å; L295-H297 VanDerWaalsContact C-N 3.29Å; L295-H297 PolarHBondContact O-N 3.27Å; L295-H297 PolarHBondContact O-ND1 3.42Å; H297-V322 CarbonylContact C-O 3.57Å; H297-V322 VanDerWaalsContact CA-O 3.28Å; H297-V322 WeakPolarHBondContact CA-O 3.38Å
298C92.6Very high89.4Confident44 Ų4463.4 Ų63.430%0.29734%0.343SS..EExtended strand (participates in β ladder)trans-126161.7169.6610000110.5A179 T321 V322A179-C298 HydrophobicContact CB-CB 4.16Å; C298-T321 CarbonylContact O-C 3.54Å; C298-T321 WeakPolarHBondContact O-CA 3.13Å; C298-V322 PolarHBondContact N-O 3.42Å; C298-V322 PolarHBondContact O-N 3.27Å; C298-V322 WeakPolarHBondContact SG-CG2 3.17Å
299F93.4Very high88.8Confident25 Ų2564.7 Ų64.711%0.1136%0.357CS..EExtended strand (participates in β ladder)trans-74.5143175.6-71.5-72.4000110.9T173 V177 I188 Q190 T321T173-F299 HydrophobicContact CG2-CD1 4.46Å; T173-F299 HydrophobicContact CG2-CE1 3.75Å; T173-F299 HydrophobicContact CG2-CZ 3.97Å; V177-F299 HydrophobicContact CB-CE2 4.47Å; V177-F299 HydrophobicContact CG1-CE1 4.25Å; V177-F299 HydrophobicContact CG1-CE2 4.29Å; V177-F299 HydrophobicContact CG1-CZ 4.03Å; V177-F299 HydrophobicContact CG2-CD2 3.72Å; V177-F299 HydrophobicContact CG2-CE2 3.51Å; V177-F299 HydrophobicContact CG2-CG 4.47Å; V177-F299 HydrophobicContact CG2-CZ 4.1Å; I188-F299 HydrophobicContact CB-CE2 4.22Å; I188-F299 HydrophobicContact CG2-CD2 4.07Å; I188-F299 HydrophobicContact CG2-CE2 3.97Å; Q190-F299 HydrophobicContact CG-CD2 3.81Å; Q190-F299 HydrophobicContact CG-CE2 3.98Å; Q190-F299 HydrophobicContact CG-CG 4.15Å; Q190-F299 HydrophobicContact CG-CZ 4.47Å; F299-T321 HydrophobicContact CD1-CG2 3.85Å; F299-T321 HydrophobicContact CE1-CG2 3.85Å
300A91.5Very high88.4Confident17 Ų1769.1 Ų69.114%0.1438%0.377CS..PPolyproline II helixtrans-63.4148.4171.700000110.6L302 N317 K320A300-L302 PolarHBondContact O-N 3Å; A300-N317 HydrophobicContact CB-CB 4.13Å; A300-K320 HydrophobicContact CB-CB 3.96Å; A300-K320 PolarHBondContact N-O 3.49Å
301S87.1Confident88Confident85 Ų8576.3 Ų76.359%0.59440%0.402SS*.PPolyproline II helixtrans-60.9126.1179.3-175.90000111.5L303 N317S301-L303 PolarHBondContact OG-O 2.8Å; S301-N317 PolarHBondContact O-ND2 3.43Å
302L86.9Confident87.7Confident17 Ų1776 Ų769%0.08939%0.389CS..  trans-87.9-33.4178.8-64.8176.1000113.1P240 A300 I313 K314 N317 F318P240-L302 HydrophobicContact CB-CD1 3.66Å; P240-L302 HydrophobicContact CG-CD1 4.05Å; A300-L302 PolarHBondContact O-N 3Å; L302-I313 WeakPolarHBondContact O-CA 3.09Å; L302-K314 PolarHBondContact O-N 3.39Å; L302-N317 VanDerWaalsContact CD2-C 3.48Å; L302-N317 HydrophobicContact CD2-CB 3.96Å; L302-F318 HydrophobicContact CD1-CD2 4.11Å; L302-F318 VanDerWaalsContact CD2-CA 3.4Å; L302-F318 HydrophobicContact CD2-CB 4.15Å; L302-F318 HydrophobicContact CD2-CD2 4.39Å
303L85.1Confident87.4Confident95 Ų9577.9 Ų77.950%0.49740%0.399SS..EExtended strand (participates in β ladder)trans-91.4122.4-177-69.3171.1000109.3S301 I313S301-L303 PolarHBondContact OG-O 2.8Å; L303-I313 HydrophobicContact CD2-CG1 3.79Å
304T82.8Confident87.1Confident38 Ų3881.2 Ų81.223%0.23341%0.413CS..EExtended strand (participates in β ladder)trans-124.7149.2171.756.40000109.9Q312 K314T304-Q312 PolarHBondContact N-O 3.14Å; T304-Q312 PolarHBondContact O-N 3.46Å; T304-Q312 PolarHBondContact OG1-O 2.75Å; T304-K314 HydrophobicContact CG2-CD 3.71Å; T304-K314 HydrophobicContact CG2-CG 4.24Å; T304-K314 WeakPolarHBondContact OG1-CE 3.45Å
305R83.7Confident86.9Confident187 Ų18782.5 Ų82.571%0.70642%0.42SS*.EExtended strand (participates in β ladder)trans-94.6121.4175.5-161.2172.3-172.2-170.6-1.7108.7G309R305-G309 PolarHBondContact NE-O 2.85Å
306G82.3Confident86.9Confident15 Ų1584.9 Ų84.916%0.15543%0.429CS..  trans-68.4168175.200000112K308 G309 E310G306-K308 PolarHBondContact O-N 3.43Å; G306-G309 PolarHBondContact O-N 3.38Å; G306-E310 PolarHBondContact N-O 2.75Å
307S82.4Confident87Confident134 Ų13480.6 Ų80.694%0.93741%0.41SS*.THydrogen-bonded Turntrans-60.4-26.7-179.852.60000113.9
308K83.5Confident87Confident182 Ų18278.2 Ų78.279%0.79140%0.399SS*.THydrogen-bonded Turntrans-90.84.5175.8-62.8-175.7180-179.90114G306G306-K308 PolarHBondContact O-N 3.43Å
309G82.6Confident87Confident28 Ų2878.1 Ų78.129%0.28940%0.395SS..SBendtrans87.5-2.9-179.800000115.5R305 G306R305-G309 PolarHBondContact NE-O 2.85Å; G306-G309 PolarHBondContact O-N 3.38Å
310E85.8Confident87Confident121 Ų12181.4 Ų81.457%0.56541%0.409SS*.  trans-68.4143.6175.9-64.9171.8-170.300111.9G306G306-E310 PolarHBondContact N-O 2.75Å
311Y83.3Confident87.1Confident177 Ų17782.5 Ų82.569%0.69441%0.414SS*.EExtended strand (participates in β ladder)trans-79.3128.6172-71.7-77.4000110.5
312Q84.3Confident87.4Confident99 Ų9981.4 Ų81.446%0.46340%0.404SS..EExtended strand (participates in β ladder)trans-123.4127.5177.2-65.6-177.3-1.100109.8T304T304-Q312 PolarHBondContact N-O 3.14Å; T304-Q312 PolarHBondContact O-N 3.46Å; T304-Q312 PolarHBondContact OG1-O 2.75Å
313I86.8Confident87.6Confident74 Ų7484.2 Ų84.238%0.37942%0.423SS..EExtended strand (participates in β ladder)trans-88.4113.3176-62.2161000108.1F239 P240 L302 L303 M315F239-I313 HydrophobicContact CB-CD1 4.04Å; P240-I313 HydrophobicContact CG-CG2 3.89Å; L302-I313 WeakPolarHBondContact O-CA 3.09Å; L303-I313 HydrophobicContact CD2-CG1 3.79Å; I313-M315 PolarHBondContact O-N 3.01Å; I313-M315 VanDerWaalsContact O-N 3.17Å
314K88.4Confident87.4Confident83 Ų8381.8 Ų81.836%0.36141%0.409SS..  trans-84.486.7175-70.8-171.9175.4-169.60109.9L302 T304 E316 N317L302-K314 PolarHBondContact O-N 3.39Å; T304-K314 HydrophobicContact CG2-CD 3.71Å; T304-K314 HydrophobicContact CG2-CG 4.24Å; T304-K314 WeakPolarHBondContact OG1-CE 3.45Å; K314-E316 HydrophobicContact CB-CG 3.97Å; K314-E316 PolarHBondContact O-N 2.05Å; K314-E316 VanDerWaalsContact O-N 3.1Å; K314-N317 WeakPolarHBondContact O-CB 3.25Å; K314-N317 PolarHBondContact O-N 2.95Å
315M89.7Confident87Confident74 Ų7488 Ų8837%0.36543%0.434SS..G310 helixtrans-59.9-22.7179.2-16464.1-170.400112.9A192 T194 I313 N317 F318A192-M315 HydrophobicContact CB-CE 3.84Å; A192-M315 HydrophobicContact CB-SD 4.26Å; T194-M315 HydrophobicContact CG2-CE 4.5Å; I313-M315 PolarHBondContact O-N 3.01Å; I313-M315 VanDerWaalsContact O-N 3.17Å; M315-N317 PolarHBondContact O-N 3.26Å; M315-F318 HydrophobicContact CE-CB 3.77Å; M315-F318 HydrophobicContact CE-CD1 3.53Å; M315-F318 HydrophobicContact CE-CD2 3.95Å; M315-F318 HydrophobicContact CE-CE1 4.09Å; M315-F318 HydrophobicContact CE-CE2 4.47Å; M315-F318 HydrophobicContact CE-CG 3.44Å; M315-F318 VanDerWaalsContact CE-CG 3.44Å; M315-F318 HydrophobicContact CG-CB 4.46Å; M315-F318 WeakPolarHBondContact O-CB 3.31Å; M315-F318 PolarHBondContact O-N 3.09Å; M315-F318 VanDerWaalsContact O-N 3.07Å; M315-F318 HydrophobicContact SD-CB 3.8Å; M315-F318 HydrophobicContact SD-CD2 4.12Å; M315-F318 HydrophobicContact SD-CG 3.9Å
316E89.2Confident85.8Confident122 Ų12285 Ų8557%0.5744%0.438SS*.G310 helixtrans-57.8-24.7170.356.3168.1175.700113.9K314 K320K314-E316 HydrophobicContact CB-CG 3.97Å; K314-E316 PolarHBondContact O-N 2.05Å; K314-E316 VanDerWaalsContact O-N 3.1Å; E316-K320 WeakPolarHBondContact O-CD 3.23Å; E316-K320 WeakPolarHBondContact O-CE 3.46Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-NZ 2.89Å; E316-K320 IonicContact OE2-NZ 2.97Å
317N91.9Very high84.2Confident26 Ų2689.7 Ų89.714%0.13946%0.464CS..G310 helixtrans-93.1-3.8179.4-70.1-4.7000112.7A300 S301 L302 K314 M315 D319 K320A300-N317 HydrophobicContact CB-CB 4.13Å; S301-N317 PolarHBondContact O-ND2 3.43Å; L302-N317 VanDerWaalsContact CD2-C 3.48Å; L302-N317 HydrophobicContact CD2-CB 3.96Å; K314-N317 WeakPolarHBondContact O-CB 3.25Å; K314-N317 PolarHBondContact O-N 2.95Å; M315-N317 PolarHBondContact O-N 3.26Å; N317-D319 VanDerWaalsContact C-N 3.34Å; N317-D319 PolarHBondContact O-N 2.94Å; N317-K320 PolarHBondContact O-N 3.49Å; N317-K320 WeakPolarHBondContact OD1-CD 3.29Å; N317-K320 PolarHBondContact OD1-NZ 3.31Å
318F92.9Very high82.1Confident0 Ų088.5 Ų88.50%045%0.453CS..THydrogen-bonded Turntrans-56.1-45.5-173.2-174.2-106.1000113.2R171 T173 Q190 A192 P240 L302 M315R171-F318 HydrophobicContact CB-CE1 4.49Å; R171-F318 HydrophobicContact CG-CE1 3.91Å; R171-F318 WeakPolarHBondContact O-CZ 3.44Å; T173-F318 HydrophobicContact CG2-CD1 4.11Å; T173-F318 HydrophobicContact CG2-CE1 3.7Å; T173-F318 HydrophobicContact CG2-CE2 4.19Å; T173-F318 HydrophobicContact CG2-CZ 3.74Å; T173-F318 WeakPolarHBondContact CG2-O 3.3Å; Q190-F318 HydrophobicContact CB-CE2 3.75Å; Q190-F318 HydrophobicContact CB-CZ 4.15Å; Q190-F318 PolarHBondContact OE1-O 3.12Å; A192-F318 HydrophobicContact CB-CD2 4.06Å; A192-F318 HydrophobicContact CB-CE1 4.47Å; A192-F318 HydrophobicContact CB-CE2 3.49Å; A192-F318 VanDerWaalsContact CB-CE2 3.49Å; A192-F318 HydrophobicContact CB-CZ 3.72Å; P240-F318 HydrophobicContact CB-CD2 4.42Å; P240-F318 HydrophobicContact CB-CE2 4.17Å; L302-F318 HydrophobicContact CD1-CD2 4.11Å; L302-F318 VanDerWaalsContact CD2-CA 3.4Å; L302-F318 HydrophobicContact CD2-CB 4.15Å; L302-F318 HydrophobicContact CD2-CD2 4.39Å; M315-F318 HydrophobicContact CE-CB 3.77Å; M315-F318 HydrophobicContact CE-CD1 3.53Å; M315-F318 HydrophobicContact CE-CD2 3.95Å; M315-F318 HydrophobicContact CE-CE1 4.09Å; M315-F318 HydrophobicContact CE-CE2 4.47Å; M315-F318 HydrophobicContact CE-CG 3.44Å; M315-F318 VanDerWaalsContact CE-CG 3.44Å; M315-F318 HydrophobicContact CG-CB 4.46Å; M315-F318 WeakPolarHBondContact O-CB 3.31Å; M315-F318 PolarHBondContact O-N 3.09Å; M315-F318 VanDerWaalsContact O-N 3.07Å; M315-F318 HydrophobicContact SD-CB 3.8Å; M315-F318 HydrophobicContact SD-CD2 4.12Å; M315-F318 HydrophobicContact SD-CG 3.9Å
319D93.4Very high79.9Confident42 Ų4288.3 Ų88.323%0.22546%0.46CS..THydrogen-bonded Turntrans-95.9-1177.5-56.7-71.2000112.6R171 T173 D174 N317R171-D319 IonicContact CZ-OD2 3.68Å; R171-D319 IonicContact NE-OD2 2.69Å; R171-D319 IonicContact NH2-OD1 3.74Å; R171-D319 IonicContact NH2-OD2 3.18Å; R171-D319 PolarHBondContact NH2-OD2 3.2Å; T173-D319 WeakPolarHBondContact CA-OD1 3.15Å; D174-D319 PolarHBondContact N-OD1 3.49Å; N317-D319 VanDerWaalsContact C-N 3.34Å; N317-D319 PolarHBondContact O-N 2.94Å
320K93.4Very high77.8Confident93 Ų9392.9 Ų92.940%0.40448%0.482SS..  trans-78.5129.7-176.9-69.6-174.7-167.4149.40110.3A300 E316 N317A300-K320 HydrophobicContact CB-CB 3.96Å; A300-K320 PolarHBondContact N-O 3.49Å; E316-K320 WeakPolarHBondContact O-CD 3.23Å; E316-K320 WeakPolarHBondContact O-CE 3.46Å; E316-K320 WeakPolarHBondContact O-CG 3.33Å; E316-K320 PolarHBondContact O-NZ 2.89Å; E316-K320 IonicContact OE2-NZ 2.97Å; N317-K320 PolarHBondContact O-N 3.49Å; N317-K320 WeakPolarHBondContact OD1-CD 3.29Å; N317-K320 PolarHBondContact OD1-NZ 3.31Å
321T93.3Very high75.2Confident40 Ų4091.7 Ų91.725%0.24549%0.487CS..EExtended strand (participates in β ladder)trans-119.7145.8-179.950.20000109.5V177 M294 C298 F299V177-T321 HydrophobicContact CG1-CG2 3.5Å; V177-T321 VanDerWaalsContact CG1-CG2 3.5Å; M294-T321 HydrophobicContact CE-CG2 3.82Å; M294-T321 WeakPolarHBondContact CE-OG1 3.4Å; C298-T321 CarbonylContact O-C 3.54Å; C298-T321 WeakPolarHBondContact O-CA 3.13Å; F299-T321 HydrophobicContact CD1-CG2 3.85Å; F299-T321 HydrophobicContact CE1-CG2 3.85Å
322V92.9Very high73.1Confident63 Ų6393.2 Ų93.238%0.38250%0.497SS..EExtended strand (participates in β ladder)trans-125.9143178.6-62.60000109.4H297 C298 E324H297-V322 CarbonylContact C-O 3.57Å; H297-V322 VanDerWaalsContact CA-O 3.28Å; H297-V322 WeakPolarHBondContact CA-O 3.38Å; C298-V322 PolarHBondContact N-O 3.42Å; C298-V322 PolarHBondContact O-N 3.27Å; C298-V322 WeakPolarHBondContact SG-CG2 3.17Å; V322-E324 PolarHBondContact O-N 2.89Å
323P91Very high70.5Confident75 Ų7592.5 Ų92.549%0.48750%0.503SS..EExtended strand (participates in β ladder)trans-58.8136.4174.4-24.133.9000111.2F325P323-F325 PolarHBondContact O-N 2.96Å
324E82.5Confident68.2Low44 Ų4494.3 Ų94.321%0.20652%0.519CS..  trans-71.3111.6171.5-174.7170.7-140.500108.2H180 H296 V322H180-E324 WeakPolarHBondContact CB-OE1 3.39Å; H180-E324 IonicContact CG-OE2 2.82Å; H180-E324 PolarHBondContact N-OE1 3.38Å; H180-E324 PolarHBondContact N-OE2 3.31Å; H180-E324 IonicContact ND1-OE1 3.71Å; H180-E324 IonicContact ND1-OE2 3.4Å; H180-E324 PolarHBondContact ND1-OE2 3.23Å; H296-E324 WeakPolarHBondContact O-CB 3.41Å; H296-E324 PolarHBondContact O-N 3.5Å; V322-E324 PolarHBondContact O-N 2.89Å
325F74.1Confident65.9Low170 Ų17097.6 Ų97.675%0.74654%0.541SS*.  trans-70.1139.3172.1-67.4-77.5000108.9P323 T327P323-F325 PolarHBondContact O-N 2.96Å; F325-T327 PolarHBondContact O-N 2.63Å
326P57.8Low63.1Low122 Ų122104.4 Ų104.479%0.79256%0.563SS**  trans-57.4112.1176-16.426.3000108.9P328P326-P328 WeakPolarHBondContact O-CD 3.35Å
327T48.9Very low60.5Low115 Ų115104.4 Ų104.471%0.70657%0.571SS**  trans-61.4122.5169.1-8.40000106.1F325 L329F325-T327 PolarHBondContact O-N 2.63Å; T327-L329 PolarHBondContact O-N 3.36Å; T327-L329 VanDerWaalsContact O-N 3.15Å
328P38.4Very low57.6Low109 Ų109110.7 Ų110.771%0.70861%0.605SS**  trans-55.3129.8169.8-3.610.4000106.5P326 V330P326-P328 WeakPolarHBondContact O-CD 3.35Å; P328-V330 VanDerWaalsContact C-N 3.32Å; P328-V330 PolarHBondContact O-N 2.96Å
329L38Very low54.8Low177 Ų177117 Ų11793%0.92764%0.638SS**  trans-45.3103.2169.2-78157.2000107T327 S331T327-L329 PolarHBondContact O-N 3.36Å; T327-L329 VanDerWaalsContact O-N 3.15Å; L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 PolarHBondContact O-N 3.37Å
330V37.9Very low51.9Low125 Ų125121.5 Ų121.576%0.75866%0.662SS**  trans-63.2105.3174.3173.90000104P328 K332P328-V330 VanDerWaalsContact C-N 3.32Å; P328-V330 PolarHBondContact O-N 2.96Å; V330-K332 PolarHBondContact O-N 2.86Å; V330-K332 VanDerWaalsContact O-N 3.08Å
331S31.8Very low49Very low95 Ų95124.2 Ų124.266%0.66468%0.679SS**  trans-46.1121.4164.555.40000105.9L329 S333L329-S331 VanDerWaalsContact C-N 3.31Å; L329-S331 PolarHBondContact O-N 3.37Å; S331-S333 PolarHBondContact O-N 2.98Å
332K37.8Very low46.1Very low209 Ų209132.7 Ų132.791%0.90971%0.707SS**  trans-55.391.8168.8-79-178.9174.1179.40107.8V330V330-K332 PolarHBondContact O-N 2.86Å; V330-K332 VanDerWaalsContact O-N 3.08Å
333S29.3Very low43.3Very low84 Ų84136.5 Ų136.559%0.58772%0.723SS**  trans-81121.8160.758.80000106.1S331S331-S333 PolarHBondContact O-N 2.98Å
334P40.1Very low40.6Very low112 Ų112140 Ų14073%0.72774%0.738SS**SBendtrans-67.5140.6172.230.7-30.4000107.8
335N40.1Very low38.5Very low153 Ų153141.9 Ų141.982%0.81877%0.769SS**  trans82.986177.5-52.5-17.2000116
336R30.6Very low36.6Very low216 Ų216142.1 Ų142.182%0.81577%0.773SS**  trans-118.9100.4141.9-122174.388.1147.71.8107.3
337T34.2Very low35.4Very low122 Ų122141.1 Ų141.175%0.74877%0.768SS**  trans-49.4142.9167.637.40000110.7L339T337-L339 PolarHBondContact O-N 3.48Å
338D31.4Very low34.5Very low158 Ų158142.6 Ų142.685%0.84577%0.77SS**  trans-35.4120167-73.5-47.7000111.3D340D338-D340 VanDerWaalsContact C-N 3.32Å; D338-D340 PolarHBondContact O-N 3.38Å; D338-D340 VanDerWaalsContact O-N 3.16Å
339L34.5Very low34.2Very low134 Ų134143.6 Ų143.670%0.70277%0.77SS**  trans-80.690.9163.5-101.8109.6000107.5T337 I341T337-L339 PolarHBondContact O-N 3.48Å; L339-I341 PolarHBondContact O-N 3.32Å
340D31.1Very low33.9Very low135 Ų135141.9 Ų141.972%0.72276%0.762SS**  trans-57113.7158.9-114.7-8.9000109D338 R342D338-D340 VanDerWaalsContact C-N 3.32Å; D338-D340 PolarHBondContact O-N 3.38Å; D338-D340 VanDerWaalsContact O-N 3.16Å; D340-R342 PolarHBondContact O-N 3.48Å; D340-R342 VanDerWaalsContact O-N 3.14Å
341I33.9Very low33.5Very low150 Ų150145.3 Ų145.377%0.76977%0.767SS**  trans-79.594.7170.5-60.5176.1000107.2L339 I343L339-I341 PolarHBondContact O-N 3.32Å; I341-I343 HydrophobicContact CG2-CG1 4.34Å; I341-I343 PolarHBondContact O-N 2.85Å
342R31.7Very low33.4Very low219 Ų219149 Ų14983%0.82677%0.774SS**  trans-73.9119.2170.4-72.3-174.3-179.3-172.2-1.1110.4D340D340-R342 PolarHBondContact O-N 3.48Å; D340-R342 VanDerWaalsContact O-N 3.14Å
343I34.1Very low33.1Very low142 Ų142146.5 Ų146.573%0.72877%0.769SS**  trans-106.7126.6162.9-61.2179.3000107.8I341I341-I343 HydrophobicContact CG2-CG1 4.34Å; I341-I343 PolarHBondContact O-N 2.85Å
344N34.9Very low33.2Very low150 Ų150147.1 Ų147.180%0.80277%0.773SS**SBendtrans61.759.6173-70.3-3.9000118.1Q346N344-Q346 PolarHBondContact O-N 2.99Å
345G38.5Very low33.2Very low83 Ų83150.9 Ų150.986%0.85678%0.781SS**SBendtrans53.913.1134.100000121.3
346Q33.7Very low33Very low175 Ų175150 Ų15082%0.81878%0.781SS**  trans-141.9128.2171-77.6-168.4-32.700111.3N344N344-Q346 PolarHBondContact O-N 2.99Å
347S32Very low33.1Very low100 Ų100142.9 Ų142.970%0.69978%0.775SS**  trans-74.8123.2170.8-178.20000109
348I29.4Very low33.1Very low146 Ų146144.8 Ų144.875%0.74978%0.78SS**  trans-123.6103.1162.1-59.6178.6000106.7
349D33.4Very low33.3Very low131 Ų131143 Ų14370%0.70178%0.775SS**  trans-75.3138.5166.5-73.5-40.8000109.2
350N31.8Very low33.4Very low141 Ų141149.6 Ų149.675%0.75480%0.802SS**  trans63104.7162.1-61.6-24.7000118
351F28.2Very low33.5Very low197 Ų197150.3 Ų150.386%0.86481%0.806SS**  trans-98.891.9152.3-136.6-93000109.1I353F351-I353 HydrophobicContact CD1-CG1 4.46Å
352Q31.3Very low33.5Very low173 Ų173150.3 Ų150.381%0.80881%0.808SS**  trans-81.8125.3158.4-86-177.4-40.100107.8S354Q352-S354 PolarHBondContact O-N 2.96Å
353I31.1Very low33.6Very low156 Ų156146.5 Ų146.580%0.881%0.807SS**  trans-77.9107.7167.9-61172.7000106.8F351F351-I353 HydrophobicContact CD1-CG1 4.46Å
354S30.4Very low33.6Very low97 Ų97146.8 Ų146.868%0.67881%0.812SS**  trans-105.4116.316660.30000109.5Q352 T356Q352-S354 PolarHBondContact O-N 2.96Å; S354-T356 PolarHBondContact O-N 3.27Å
355E41.5Very low33.5Very low190 Ų190146.6 Ų146.689%0.88881%0.812SS**  trans-64.6121.8162.5-75179.1134.100110.6
356T34.3Very low33.1Very low134 Ų134150.8 Ų150.882%0.82281%0.809SS**  trans-162.2121.3152.647.50000104.6S354S354-T356 PolarHBondContact O-N 3.27Å
357G33.7Very low33.1Very low68 Ų68149.1 Ų149.170%0.70181%0.809SS**  cis92.2125.447.700000109.5
358L33.8Very low33.2Very low161 Ų161152.8 Ų152.884%0.84382%0.817SS**  trans105.998.6171-64153.8000115.2
359T35.9Very low33.5Very low122 Ų122153.4 Ų153.475%0.74882%0.823SS**  64.4106.189.560.30000114.3
360E36.7Very low33.5Very low271 Ų271155.5 Ų155.5100%1.26683%0.834SS**  -157096.1-103.8-174.4158.900109.7

Retrieved 360 of 360 residues in 106.8 ms (Link to these results)

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