A0A096LSZ8_POEFO Loading...

Centromere protein L

AlphaFold DB , UniProt , Accession A0A096LSZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 314 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
1M53.4Low72.9Confident126 Ų12673.1 Ų73.162%0.62137%0.368SS*.  0129.50-151.7-175-69.700106.7I3 T176 L310M1-I3 PolarHBondContact O-N 3.15Å; M1-T176 HydrophobicContact SD-CG2 3.54Å; M1-T176 VanDerWaalsContact SD-CG2 3.54Å; M1-L310 HydrophobicContact CB-CD1 4.34Å; M1-L310 HydrophobicContact CG-CD1 4.01Å
2N60.4Low73.3Confident91 Ų9175.2 Ų75.249%0.48738%0.381SS..  trans-62.7125.7-175.4-77.5-29000110.9C4 E306N2-C4 VanDerWaalsContact C-N 3.31Å; N2-E306 VanDerWaalsContact CB-OE1 3.31Å; N2-E306 WeakPolarHBondContact CB-OE1 3.38Å; N2-E306 PolarHBondContact N-OE1 3.39Å; N2-E306 PolarHBondContact ND2-OE1 3.43Å; N2-E306 PolarHBondContact ND2-OE2 2.96Å
3I71.1Confident73.8Confident120 Ų12069.5 Ų69.562%0.61535%0.353SS*.SBendtrans-78.1-24.2-179.6-54.9171.1000110M1 D245 F246M1-I3 PolarHBondContact O-N 3.15Å; I3-D245 CarbonylContact O-C 3.56Å; I3-D245 WeakPolarHBondContact O-CA 3.31Å; I3-F246 PolarHBondContact O-N 3.24Å
4C78.1Confident74Confident54 Ų5469.6 Ų69.637%0.36536%0.358SS..EExtended strand (participates in β ladder)trans-131.4140.5177.9-155.10000110.6N2 C243 I244N2-C4 VanDerWaalsContact C-N 3.31Å; C4-C243 VanDerWaalsContact C-SG 3.6Å; C4-C243 WeakPolarHBondContact CB-SG 3.35Å; C4-C243 WeakPolarHBondContact SG-CB 3.3Å; C4-C243 CovalentContact SG-SG 2.02Å; C4-C243 PolarHBondContact SG-SG 2.81Å; C4-I244 CarbonylContact C-O 3.55Å; C4-I244 WeakPolarHBondContact CA-O 3.3Å
5R81.8Confident73.9Confident23 Ų2376 Ų769%0.08739%0.386CS..EExtended strand (participates in β ladder)trans-129.8142.9174.9-68.1-167.3177.5811.7110.7A7 W180 C243 I244 L303 E306R5-A7 PolarHBondContact O-N 2.71Å; R5-W180 HydrophobicContact CB-CH2 4.42Å; R5-W180 HydrophobicContact CB-CZ3 4.08Å; R5-W180 HydrophobicContact CG-CH2 4.35Å; R5-W180 HydrophobicContact CG-CZ3 4.26Å; R5-W180 VanDerWaalsContact NH1-CD1 3.3Å; R5-C243 VanDerWaalsContact C-SG 3.55Å; R5-C243 PolarHBondContact N-SG 2.89Å; R5-C243 VanDerWaalsContact N-SG 3.39Å; R5-C243 CarbonylContact O-C 3.56Å; R5-C243 WeakPolarHBondContact O-CA 3.38Å; R5-C243 PolarHBondContact O-SG 3Å; R5-C243 VanDerWaalsContact O-SG 3.39Å; R5-I244 PolarHBondContact N-O 2.96Å; R5-I244 PolarHBondContact O-N 3.01Å; R5-L303 VanDerWaalsContact NE-CD1 3.31Å; R5-E306 IonicContact CZ-OE1 2.66Å; R5-E306 IonicContact CZ-OE2 3.86Å; R5-E306 VanDerWaalsContact CZ-OE2 3.3Å; R5-E306 IonicContact NE-OE2 3.2Å; R5-E306 PolarHBondContact NE-OE2 3.21Å; R5-E306 IonicContact NH2-OE1 3.3Å; R5-E306 PolarHBondContact NH2-OE1 2.9Å; R5-E306 IonicContact NH2-OE2 2.81Å; R5-E306 PolarHBondContact NH2-OE2 3.41Å
6K78Confident74.1Confident138 Ų13877.9 Ų77.960%0.639%0.391SS*.EExtended strand (participates in β ladder)trans-57.7137.9171.8-62.7-176.1-179.7-161.70109.7E241K6-E241 WeakPolarHBondContact CD-OE2 3.2Å; K6-E241 WeakPolarHBondContact CE-OE2 3.3Å; K6-E241 IonicContact NZ-OE2 3.74Å; K6-E241 PolarHBondContact NZ-OE2 3.2Å
7A74.4Confident74.6Confident21 Ų2173.5 Ų73.517%0.17437%0.369CS..PPolyproline II helixtrans-57.3143.3174.600000110.6R5 R9 V242 I244R5-A7 PolarHBondContact O-N 2.71Å; A7-R9 PolarHBondContact O-N 3.38Å; A7-V242 HydrophobicContact CB-CG1 4.5Å; A7-V242 VanDerWaalsContact CB-O 3.26Å; A7-V242 WeakPolarHBondContact CB-O 3.3Å; A7-V242 PolarHBondContact N-O 3.35Å; A7-I244 HydrophobicContact CB-CD1 4.05Å; A7-I244 HydrophobicContact CB-CG1 4.24Å
8P77.3Confident75.2Confident18 Ų1876.3 Ų76.312%0.11738%0.379CS..PPolyproline II helixtrans-55.3129.1177.1-23.131.8000110.4L184 C188 Y296P8-L184 HydrophobicContact CG-CB 3.8Å; P8-L184 HydrophobicContact CG-CD2 3.5Å; P8-L184 HydrophobicContact CG-CG 4.19Å; P8-C188 VanDerWaalsContact CB-SG 3.6Å; P8-Y296 HydrophobicContact CB-CD1 4.02Å; P8-Y296 HydrophobicContact CB-CE1 4.36Å
9R75.3Confident75.7Confident124 Ų12477.2 Ų77.247%0.46839%0.39SS..PPolyproline II helixtrans-103.7129173.9-69.5-176.3174168-1.7108.9A7 Q11 E241 S299A7-R9 PolarHBondContact O-N 3.38Å; R9-Q11 PolarHBondContact O-N 3.47Å; R9-E241 IonicContact CZ-OE1 2.74Å; R9-E241 IonicContact NH1-OE1 3.62Å; R9-E241 PolarHBondContact NH1-OE1 2.93Å; R9-E241 IonicContact NH2-OE1 3.78Å; R9-E241 PolarHBondContact NH2-OE1 3.06Å; R9-E241 IonicContact NH2-OE2 2.69Å; R9-S299 PolarHBondContact N-OG 2.82Å
10S75.8Confident76.1Confident43 Ų4378.7 Ų78.730%0.30140%0.396SS..PPolyproline II helixtrans-68.6125.8167.9-168.20000108.8E191S10-E191 VanDerWaalsContact CB-CD 3.48Å; S10-E191 WeakPolarHBondContact CB-OE1 3.31Å; S10-E191 WeakPolarHBondContact CB-OE2 3.32Å; S10-E191 PolarHBondContact OG-OE2 2.94Å
11Q76.6Confident76.5Confident46 Ų4676.1 Ų76.122%0.21538%0.382CS..  trans-129.2133.2178.3-67.1-176.4-5.800109.5R9 I13 E88 R295 I298R9-Q11 PolarHBondContact O-N 3.47Å; Q11-I13 VanDerWaalsContact C-N 3.34Å; Q11-I13 HydrophobicContact CB-CG2 4.02Å; Q11-I13 PolarHBondContact O-N 2.68Å; Q11-E88 PolarHBondContact NE2-OE2 3.41Å; Q11-R295 PolarHBondContact N-O 3.47Å; Q11-R295 WeakPolarHBondContact O-CA 3.31Å; Q11-I298 VanDerWaalsContact OE1-CG1 3.32Å
12N77Confident78Confident98 Ų9870.6 Ų70.652%0.52436%0.355SS..  trans-81.184.2171-167.410000110.4T14N12-T14 PolarHBondContact O-N 3.09Å; N12-T14 PolarHBondContact OD1-N 3.05Å; N12-T14 PolarHBondContact OD1-OG1 3.34Å
13I80.8Confident79.2Confident2 Ų269.6 Ų69.61%0.0136%0.36CS..G310 helixtrans-79.3-1.1-179.366.2173.9000113.6Q11 E15 K16 V17 L22 S294 L297 I298Q11-I13 VanDerWaalsContact C-N 3.34Å; Q11-I13 HydrophobicContact CB-CG2 4.02Å; Q11-I13 PolarHBondContact O-N 2.68Å; I13-E15 PolarHBondContact O-N 3.5Å; I13-K16 PolarHBondContact O-N 2.87Å; I13-K16 VanDerWaalsContact O-N 3.09Å; I13-V17 PolarHBondContact O-N 2.87Å; I13-L22 HydrophobicContact CD1-CD2 3.45Å; I13-L22 VanDerWaalsContact CD1-CD2 3.45Å; I13-L22 HydrophobicContact CG1-CD1 4.21Å; I13-L22 HydrophobicContact CG1-CD2 3.9Å; I13-S294 VanDerWaalsContact CD1-O 3.24Å; I13-S294 WeakPolarHBondContact CD1-O 3.34Å; I13-L297 HydrophobicContact CD1-CB 3.83Å; I13-L297 HydrophobicContact CD1-CD1 4.18Å; I13-L297 HydrophobicContact CD1-CD2 4.41Å; I13-L297 HydrophobicContact CD1-CG 4.37Å; I13-I298 HydrophobicContact CG2-CG1 4.12Å
14T75.4Confident79.8Confident71 Ų7166.2 Ų66.244%0.43634%0.343SS..G310 helixtrans-68-21.1-179.8630000113.3N12 L22N12-T14 PolarHBondContact O-N 3.09Å; N12-T14 PolarHBondContact OD1-N 3.05Å; N12-T14 PolarHBondContact OD1-OG1 3.34Å; T14-L22 HydrophobicContact CG2-CD1 4.01Å
15E73.7Confident80.1Confident165 Ų16563.7 Ų63.777%0.77133%0.325SS*.G310 helixtrans-81.2-24.9174.3-65.7172.7-161.800111.9I13I13-E15 PolarHBondContact O-N 3.5Å
16K77.2Confident80.4Confident106 Ų10663.3 Ų63.346%0.46133%0.325SS..THydrogen-bonded Turntrans-92.3-38.9-176.8-67.8-171.8179.5-175.90112.8I13 G85 E88I13-K16 PolarHBondContact O-N 2.87Å; I13-K16 VanDerWaalsContact O-N 3.09Å; K16-G85 WeakPolarHBondContact CD-O 3.2Å; K16-E88 IonicContact NZ-OE1 3.12Å; K16-E88 PolarHBondContact NZ-OE1 2.82Å
17V82.3Confident80.6Confident4 Ų464.4 Ų64.42%0.02433%0.33CS..SBendtrans-117.6134.3-172.8-172.30000110I13 H21 L22 L86I13-V17 PolarHBondContact O-N 2.87Å; V17-H21 HydrophobicContact CG1-CB 4.07Å; V17-L22 HydrophobicContact CB-CD1 4.1Å; V17-L22 HydrophobicContact CB-CD2 3.73Å; V17-L22 HydrophobicContact CB-CG 3.75Å; V17-L22 HydrophobicContact CG1-CD2 3.73Å; V17-L22 HydrophobicContact CG1-CG 3.73Å; V17-L22 HydrophobicContact CG2-CD2 4.23Å; V17-L86 HydrophobicContact CG2-CD2 3.83Å; V17-L86 HydrophobicContact CG2-CG 4.03Å
18K84.8Confident81.3Confident124 Ų12464 Ų6454%0.53933%0.326SS..  trans-55.7136.9179.3-57.7-169.5-178.7-177.10112.1E20 H21 L22K18-E20 VanDerWaalsContact C-N 3.27Å; K18-E20 HydrophobicContact CB-CG 4.37Å; K18-E20 WeakPolarHBondContact CB-OE1 3.18Å; K18-E20 WeakPolarHBondContact CD-OE1 3.44Å; K18-E20 PolarHBondContact O-N 3.09Å; K18-H21 WeakPolarHBondContact O-CB 3.49Å; K18-H21 PolarHBondContact O-N 2.88Å; K18-L22 PolarHBondContact O-N 3.3Å; K18-L22 VanDerWaalsContact O-N 3.08Å
19P84.8Confident82.1Confident92 Ų9266.4 Ų66.460%0.59734%0.335SS*.Hα-helixtrans-54.9-39-176.8-27.835.1000114.1H21 L22 A23P19-H21 VanDerWaalsContact C-N 3.3Å; P19-H21 PolarHBondContact O-N 3.46Å; P19-L22 PolarHBondContact O-N 3.37Å; P19-A23 WeakPolarHBondContact O-CB 3.41Å; P19-A23 PolarHBondContact O-N 3.04Å
20E84.6Confident83.1Confident107 Ų10760.7 Ų60.750%0.531%0.314SS..Hα-helixtrans-63.6-35178.462.4-86.3-162.400112.7K18 L24K18-E20 VanDerWaalsContact C-N 3.27Å; K18-E20 HydrophobicContact CB-CG 4.37Å; K18-E20 WeakPolarHBondContact CB-OE1 3.18Å; K18-E20 WeakPolarHBondContact CD-OE1 3.44Å; K18-E20 PolarHBondContact O-N 3.09Å; E20-L24 WeakPolarHBondContact O-CG 3.35Å; E20-L24 PolarHBondContact O-N 3.47Å
21H83.8Confident84.1Confident26 Ų2661.6 Ų61.612%0.1231%0.313CS..Hα-helixtrans-76.2-40.3177.6-65.4162.9000111.3V17 K18 P19 A23 L24 L25 L83V17-H21 HydrophobicContact CG1-CB 4.07Å; K18-H21 WeakPolarHBondContact O-CB 3.49Å; K18-H21 PolarHBondContact O-N 2.88Å; P19-H21 VanDerWaalsContact C-N 3.3Å; P19-H21 PolarHBondContact O-N 3.46Å; H21-A23 VanDerWaalsContact C-N 3.31Å; H21-A23 PolarHBondContact O-N 2.91Å; H21-L24 WeakPolarHBondContact O-CB 3.42Å; H21-L24 PolarHBondContact O-N 3.5Å; H21-L25 WeakPolarHBondContact O-CG 3.46Å; H21-L25 PolarHBondContact O-N 3.35Å; H21-L83 HydrophobicContact CB-CD2 3.46Å; H21-L83 VanDerWaalsContact CB-CD2 3.46Å; H21-L83 WeakPolarHBondContact ND1-CD2 3.44Å
22L84.8Confident85.1Confident10 Ų1059.4 Ų59.45%0.05230%0.303CS..Hα-helixtrans-60.8-41.4172.7-71.3178.8000111.8I13 T14 V17 K18 P19 L24 L25 V26I13-L22 HydrophobicContact CD1-CD2 3.45Å; I13-L22 VanDerWaalsContact CD1-CD2 3.45Å; I13-L22 HydrophobicContact CG1-CD1 4.21Å; I13-L22 HydrophobicContact CG1-CD2 3.9Å; T14-L22 HydrophobicContact CG2-CD1 4.01Å; V17-L22 HydrophobicContact CB-CD1 4.1Å; V17-L22 HydrophobicContact CB-CD2 3.73Å; V17-L22 HydrophobicContact CB-CG 3.75Å; V17-L22 HydrophobicContact CG1-CD2 3.73Å; V17-L22 HydrophobicContact CG1-CG 3.73Å; V17-L22 HydrophobicContact CG2-CD2 4.23Å; K18-L22 PolarHBondContact O-N 3.3Å; K18-L22 VanDerWaalsContact O-N 3.08Å; P19-L22 PolarHBondContact O-N 3.37Å; L22-L24 PolarHBondContact O-N 2.89Å; L22-L25 HydrophobicContact CD2-CD1 4.31Å; L22-L25 PolarHBondContact O-N 3.38Å; L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 3.03Å
23A85.8Confident86.1Confident70 Ų7054.9 Ų54.958%0.57928%0.279SS*.Hα-helixtrans-62.9-27.5177.600000113P19 H21P19-A23 WeakPolarHBondContact O-CB 3.41Å; P19-A23 PolarHBondContact O-N 3.04Å; H21-A23 VanDerWaalsContact C-N 3.31Å; H21-A23 PolarHBondContact O-N 2.91Å
24L84.6Confident86.9Confident49 Ų4956.7 Ų56.726%0.25729%0.286SS..Hα-helixtrans-74.2-44.5174.2-69.6169.3000111.5E20 H21 L22 V26 T28 W30 L97 W120E20-L24 WeakPolarHBondContact O-CG 3.35Å; E20-L24 PolarHBondContact O-N 3.47Å; H21-L24 WeakPolarHBondContact O-CB 3.42Å; H21-L24 PolarHBondContact O-N 3.5Å; L22-L24 PolarHBondContact O-N 2.89Å; L24-V26 VanDerWaalsContact C-N 3.34Å; L24-T28 WeakPolarHBondContact O-CB 3.4Å; L24-T28 PolarHBondContact O-OG1 2.7Å; L24-W30 VanDerWaalsContact O-CZ2 3.3Å; L24-W30 WeakPolarHBondContact O-CZ2 3.41Å; L24-L97 HydrophobicContact CD1-CD2 4.06Å; L24-W120 HydrophobicContact CB-CH2 4.2Å; L24-W120 HydrophobicContact CB-CZ2 3.76Å; L24-W120 HydrophobicContact CD1-CH2 4.45Å
25L84.6Confident87.9Confident0 Ų053.3 Ų53.30%027%0.265CS..Hα-helixtrans-62.3-42.6-179.5-71.2163.1000111.6H21 L22 W30 L83 L86 W120 L297 F301H21-L25 WeakPolarHBondContact O-CG 3.46Å; H21-L25 PolarHBondContact O-N 3.35Å; L22-L25 HydrophobicContact CD2-CD1 4.31Å; L22-L25 PolarHBondContact O-N 3.38Å; L25-W30 PolarHBondContact O-NE1 2.95Å; L25-L83 HydrophobicContact CD1-CD1 3.73Å; L25-L86 HydrophobicContact CD1-CD1 4.43Å; L25-W120 HydrophobicContact CD1-CH2 4.36Å; L25-W120 HydrophobicContact CD2-CD2 3.66Å; L25-W120 HydrophobicContact CD2-CE3 4.12Å; L25-W120 HydrophobicContact CD2-CG 4.16Å; L25-W120 HydrophobicContact CD2-CH2 4Å; L25-W120 HydrophobicContact CD2-CZ2 3.53Å; L25-W120 HydrophobicContact CD2-CZ3 4.28Å; L25-W120 HydrophobicContact CG-CH2 3.82Å; L25-W120 HydrophobicContact CG-CZ2 3.57Å; L25-W120 HydrophobicContact CG-CZ3 4.41Å; L25-L297 HydrophobicContact CB-CD1 3.92Å; L25-L297 HydrophobicContact CD1-CD1 3.95Å; L25-L297 HydrophobicContact CG-CD1 4.45Å; L25-F301 HydrophobicContact CD2-CE2 3.99Å; L25-F301 HydrophobicContact CD2-CZ 3.82Å
26V86.8Confident89Confident15 Ų1546.5 Ų46.59%0.09124%0.235CC..BIsolated β-bridgetrans-90.3153-175.9-168.10000110.7L22 L24 T28 I291 S292 L297L22-V26 WeakPolarHBondContact O-CG2 3.22Å; L22-V26 PolarHBondContact O-N 3.03Å; L24-V26 VanDerWaalsContact C-N 3.34Å; V26-T28 PolarHBondContact O-N 2.95Å; V26-I291 CarbonylContact C-O 3.38Å; V26-I291 VanDerWaalsContact CA-O 3.29Å; V26-I291 WeakPolarHBondContact CA-O 3.35Å; V26-I291 WeakPolarHBondContact CG1-O 3.37Å; V26-S292 WeakPolarHBondContact CG1-O 3.42Å; V26-L297 HydrophobicContact CG2-CD1 4.44Å
27K82.1Confident90Very high162 Ų16242.2 Ų42.270%0.70422%0.218SC*.SBendtrans60.61.8-176.9-56.4178.3-177.1174.70115.2K290 I291K27-K290 WeakPolarHBondContact O-CE 3.36Å; K27-I291 PolarHBondContact N-O 3.43Å
28T89.4Confident90.8Very high12 Ų1242 Ų427%0.07422%0.217CC..  trans-94.8136.1172.2-71.20000110.7L24 V26 W30 K147 K290L24-T28 WeakPolarHBondContact O-CB 3.4Å; L24-T28 PolarHBondContact O-OG1 2.7Å; V26-T28 PolarHBondContact O-N 2.95Å; T28-W30 HydrophobicContact CG2-CD2 3.77Å; T28-W30 HydrophobicContact CG2-CE3 4.32Å; T28-W30 HydrophobicContact CG2-CG 4.2Å; T28-W30 HydrophobicContact CG2-CH2 4.02Å; T28-W30 HydrophobicContact CG2-CZ2 3.48Å; T28-W30 VanDerWaalsContact CG2-CZ2 3.48Å; T28-W30 HydrophobicContact CG2-CZ3 4.44Å; T28-K147 HydrophobicContact CG2-CB 4.12Å; T28-K147 HydrophobicContact CG2-CD 3.44Å; T28-K147 VanDerWaalsContact CG2-CD 3.44Å; T28-K147 HydrophobicContact CG2-CG 3.88Å; T28-K147 PolarHBondContact OG1-NZ 2.66Å; T28-K147 VanDerWaalsContact OG1-NZ 3.07Å; T28-K290 WeakPolarHBondContact O-CA 3.36Å
29E94.3Very high91.4Very high69 Ų6940.3 Ų40.332%0.32221%0.207SC..EExtended strand (participates in β ladder)trans-83.7126.9163.2-168.2178.372.400109K284 K288 I289 K290E29-K284 IonicContact OE2-NZ 3.03Å; E29-K284 PolarHBondContact OE2-NZ 3.39Å; E29-K288 HydrophobicContact CG-CB 4.23Å; E29-I289 CarbonylContact C-O 3.4Å; E29-I289 WeakPolarHBondContact CA-O 3.29Å; E29-K290 HydrophobicContact CB-CB 4.31Å
30W96.2Very high92Very high4 Ų440.3 Ų40.32%0.01520%0.199CC..EExtended strand (participates in β ladder)trans-111139.5-178.6-63.7100.8000109.8L24 L25 T28 W120 C145 K147 K288 I289L24-W30 VanDerWaalsContact O-CZ2 3.3Å; L24-W30 WeakPolarHBondContact O-CZ2 3.41Å; L25-W30 PolarHBondContact O-NE1 2.95Å; T28-W30 HydrophobicContact CG2-CD2 3.77Å; T28-W30 HydrophobicContact CG2-CE3 4.32Å; T28-W30 HydrophobicContact CG2-CG 4.2Å; T28-W30 HydrophobicContact CG2-CH2 4.02Å; T28-W30 HydrophobicContact CG2-CZ2 3.48Å; T28-W30 VanDerWaalsContact CG2-CZ2 3.48Å; T28-W30 HydrophobicContact CG2-CZ3 4.44Å; W30-W120 AromaticContact CE2-NE1 3.64Å; W30-W120 AromaticContact CE3-CD1 3.9Å; W30-W120 AromaticContact CE3-NE1 3.98Å; W30-W120 AromaticContact CH2-CD1 3.57Å; W30-W120 AromaticContact CH2-CE2 3.87Å; W30-W120 HydrophobicContact CH2-CZ2 4.37Å; W30-W120 AromaticContact CH2-NE1 2.85Å; W30-W120 AromaticContact CZ2-CD1 3.84Å; W30-W120 AromaticContact CZ2-CE2 3.96Å; W30-W120 HydrophobicContact CZ2-CZ2 4.32Å; W30-W120 AromaticContact CZ2-NE1 2.97Å; W30-W120 AromaticContact CZ3-CD1 3.56Å; W30-W120 AromaticContact CZ3-NE1 3.37Å; W30-C145 HydrophobicContact CB-CB 4.16Å; W30-C145 HydrophobicContact CD2-CB 4.15Å; W30-C145 HydrophobicContact CE3-CB 3.96Å; W30-C145 HydrophobicContact CG-CB 4.24Å; W30-K147 HydrophobicContact CE3-CB 3.79Å; W30-K147 HydrophobicContact CH2-CB 4.23Å; W30-K147 HydrophobicContact CZ3-CB 3.6Å; W30-K288 WeakPolarHBondContact O-CA 3.38Å; W30-I289 HydrophobicContact CB-CG2 4.19Å; W30-I289 PolarHBondContact N-O 2.9Å; W30-I289 PolarHBondContact O-N 2.71Å
31Q97.2Very high92.6Very high62 Ų6235.4 Ų35.429%0.2918%0.177SC..EExtended strand (participates in β ladder)trans-88.4124.6163.7-176.163.149.300109.2C145 S146 N286 K288Q31-C145 CarbonylContact O-C 3.6Å; Q31-C145 WeakPolarHBondContact O-CA 3.3Å; Q31-S146 PolarHBondContact N-O 3.18Å; Q31-S146 PolarHBondContact O-N 3.42Å; Q31-S146 PolarHBondContact O-OG 2.85Å; Q31-N286 PolarHBondContact NE2-O 2.99Å; Q31-K288 VanDerWaalsContact OE1-CG 3.29Å
32L97.3Very high93.3Very high0 Ų040.2 Ų40.20%019%0.194CC..EExtended strand (participates in β ladder)trans-87.2146-179.8-60.1-178.4000111.9L143 F144 C145 L171 I173 G287 I289 L304L32-L143 HydrophobicContact CD2-CD1 4.16Å; L32-F144 CarbonylContact C-O 3.37Å; L32-C145 WeakPolarHBondContact CD2-SG 3.5Å; L32-L171 HydrophobicContact CB-CB 3.9Å; L32-L171 HydrophobicContact CB-CD2 4.22Å; L32-L171 HydrophobicContact CB-CG 4.29Å; L32-L171 HydrophobicContact CD1-CD2 4.46Å; L32-L171 PolarHBondContact O-N 2.78Å; L32-I173 HydrophobicContact CD1-CD1 3.82Å; L32-I173 HydrophobicContact CD1-CG1 3.9Å; L32-G287 VanDerWaalsContact CB-O 3.24Å; L32-G287 WeakPolarHBondContact CB-O 3.41Å; L32-G287 WeakPolarHBondContact CG-O 3.17Å; L32-G287 PolarHBondContact N-O 2.85Å; L32-I289 HydrophobicContact CD1-CB 4.36Å; L32-I289 HydrophobicContact CD1-CG2 4.02Å; L32-I289 HydrophobicContact CD2-CG2 3.71Å; L32-I289 HydrophobicContact CG-CG2 3.92Å; L32-L304 HydrophobicContact CD1-CD1 4.23Å; L32-L304 HydrophobicContact CD1-CD2 3.77Å; L32-L304 HydrophobicContact CD2-CD1 4.21Å
33S97.5Very high93.8Very high2 Ų242.5 Ų42.51%0.01420%0.204CC..EExtended strand (participates in β ladder)trans-149.3152.2169.7-57.40000108.4F144 K157 G169S33-F144 PolarHBondContact N-O 2.89Å; S33-F144 WeakPolarHBondContact O-CA 3.19Å; S33-F144 PolarHBondContact O-N 3.49Å; S33-F144 VanDerWaalsContact O-O 3.09Å; S33-K157 PolarHBondContact OG-NZ 3.06Å; S33-G169 CarbonylContact C-O 3.54Å; S33-G169 WeakPolarHBondContact CA-O 3.38Å; S33-G169 WeakPolarHBondContact CB-O 3.5Å
34Y97.3Very high94.3Very high41 Ų4145.3 Ų45.316%0.16121%0.214CC..EExtended strand (participates in β ladder)trans-89158.6164.570.8-96.7000109.4P142 F168 G169 K311 M312Y34-P142 CarbonylContact C-O 3.59Å; Y34-P142 VanDerWaalsContact CA-O 3.27Å; Y34-P142 WeakPolarHBondContact CA-O 3.45Å; Y34-F168 VanDerWaalsContact O-CA 3.31Å; Y34-F168 WeakPolarHBondContact O-CA 3.38Å; Y34-G169 WeakPolarHBondContact CD1-O 3.16Å; Y34-G169 VanDerWaalsContact CZ-CA 3.47Å; Y34-G169 PolarHBondContact N-O 3.37Å; Y34-G169 PolarHBondContact O-N 2.85Å; Y34-K311 HydrophobicContact CD1-CB 3.84Å; Y34-K311 HydrophobicContact CE1-CB 4.29Å; Y34-K311 HydrophobicContact CG-CB 4.33Å; Y34-M312 HydrophobicContact CD2-CG 4.17Å
35V97.6Very high94.9Very high0 Ų046.6 Ų46.60%022%0.219CC..EExtended strand (participates in β ladder)trans-138.4133.2170.463.60000110.2L121 L141 P142 C166 C167 F168 M312V35-L121 HydrophobicContact CG1-CD2 3.7Å; V35-L141 WeakPolarHBondContact CG1-O 3.37Å; V35-P142 PolarHBondContact N-O 3.08Å; V35-P142 WeakPolarHBondContact O-CA 3.29Å; V35-C166 HydrophobicContact CG2-CB 4.12Å; V35-C167 CarbonylContact C-O 3.56Å; V35-C167 VanDerWaalsContact CA-O 3.25Å; V35-C167 WeakPolarHBondContact CA-O 3.03Å; V35-F168 HydrophobicContact CB-CD1 3.77Å; V35-F168 HydrophobicContact CB-CE1 3.55Å; V35-F168 HydrophobicContact CB-CG 4.35Å; V35-F168 HydrophobicContact CB-CZ 3.94Å; V35-F168 HydrophobicContact CG1-CE1 4.37Å; V35-F168 HydrophobicContact CG2-CD1 3.96Å; V35-F168 HydrophobicContact CG2-CD2 4.08Å; V35-F168 HydrophobicContact CG2-CE1 3.55Å; V35-F168 HydrophobicContact CG2-CE2 3.67Å; V35-F168 HydrophobicContact CG2-CG 4.21Å; V35-F168 HydrophobicContact CG2-CZ 3.37Å; V35-M312 WeakPolarHBondContact O-CE 3.4Å
36T97.4Very high95.5Very high22 Ų2247.2 Ų47.214%0.13522%0.222CC..PPolyproline II helixtrans-65.2162.4174.861.30000111L38 C166 C167 P313T36-L38 PolarHBondContact O-N 2.92Å; T36-C166 WeakPolarHBondContact OG1-CA 3.38Å; T36-C167 HydrophobicContact CG2-CB 3.98Å; T36-C167 PolarHBondContact N-O 3.28Å; T36-C167 PolarHBondContact OG1-N 3.21Å; T36-P313 HydrophobicContact CG2-CG 4.3Å
37P97.4Very high96Very high16 Ų1655.7 Ų55.710%0.10426%0.258CS..PPolyproline II helixtrans-50.2138.1176.4-27.635.8000112.1Y130 L134 F138 T139P37-Y130 WeakPolarHBondContact CG-OH 3.07Å; P37-L134 HydrophobicContact CB-CD1 4.36Å; P37-L134 HydrophobicContact CB-CD2 4.41Å; P37-L134 HydrophobicContact CG-CD1 4.13Å; P37-L134 HydrophobicContact CG-CD2 3.93Å; P37-F138 HydrophobicContact CB-CB 3.98Å; P37-F138 HydrophobicContact CB-CD1 3.87Å; P37-F138 HydrophobicContact CB-CG 4.3Å; P37-T139 WeakPolarHBondContact CA-O 3.5Å
38L98.2Very high96.8Very high0 Ų050.4 Ų50.40%024%0.239CC..EExtended strand (participates in β ladder)trans-90.3116.8-174.4-60.897.4000109.5T36 F41 L121 T139 L141 F164 C166T36-L38 PolarHBondContact O-N 2.92Å; L38-F41 HydrophobicContact CB-CB 3.56Å; L38-F41 HydrophobicContact CB-CG 4.25Å; L38-F41 HydrophobicContact CD2-CB 4.5Å; L38-F41 HydrophobicContact CD2-CD2 4.15Å; L38-F41 HydrophobicContact CD2-CG 4.42Å; L38-L121 HydrophobicContact CD2-CD1 4.33Å; L38-T139 WeakPolarHBondContact CD1-O 2.98Å; L38-T139 PolarHBondContact N-O 2.73Å; L38-T139 PolarHBondContact O-N 3.41Å; L38-L141 HydrophobicContact CD1-CB 3.96Å; L38-L141 HydrophobicContact CD1-CD1 4.45Å; L38-F164 HydrophobicContact CB-CB 3.92Å; L38-F164 HydrophobicContact CB-CG 4.38Å; L38-F164 HydrophobicContact CD2-CB 4.19Å; L38-F164 HydrophobicContact CD2-CD2 3.99Å; L38-F164 HydrophobicContact CD2-CG 4.2Å; L38-F164 HydrophobicContact CG-CB 4.47Å; L38-C166 HydrophobicContact CG-CB 4.49Å
39Y98Very high97.2Very high87 Ų8750 Ų5034%0.34124%0.236SC..EExtended strand (participates in β ladder)trans-68.9128.4177.8-178.6-116.2000111.1F41 D137 F138 F164Y39-F41 PolarHBondContact O-N 2.91Å; Y39-D137 HydrophobicContact CD2-CB 4.05Å; Y39-D137 HydrophobicContact CE2-CB 3.74Å; Y39-F138 HydrophobicContact CD2-CD2 4.38Å; Y39-F138 HydrophobicContact CD2-CE1 4.01Å; Y39-F138 AromaticContact CD2-CE2 3.86Å; Y39-F138 HydrophobicContact CD2-CE2 3.86Å; Y39-F138 AromaticContact CD2-CZ 3.66Å; Y39-F138 HydrophobicContact CD2-CZ 3.66Å; Y39-F138 HydrophobicContact CE2-CE2 4.45Å; Y39-F138 HydrophobicContact CG-CE1 4.3Å; Y39-F138 HydrophobicContact CG-CZ 4.28Å; Y39-F164 VanDerWaalsContact CB-O 3.3Å; Y39-F164 WeakPolarHBondContact CB-O 3.47Å; Y39-F164 PolarHBondContact N-O 3.14Å; Y39-F164 WeakPolarHBondContact O-CD1 3.39Å
40Q97.4Very high97.4Very high92 Ų9247.4 Ų47.443%0.4323%0.226SC..THydrogen-bonded Turntrans54.217.2-179.4-62.5-174.3-3.600115.7R42 D137Q40-R42 PolarHBondContact O-N 3.25Å; Q40-D137 WeakPolarHBondContact CA-O 3.43Å; Q40-D137 HydrophobicContact CG-CB 4.34Å; Q40-D137 PolarHBondContact N-O 3.14Å
41F98.1Very high97.4Very high5 Ų555.9 Ų55.92%0.02226%0.258CS..  trans-63.6132.8170.9-179.1-88.5000110L38 Y39 H43 L46 Y49 V96 T139 L141 F164L38-F41 HydrophobicContact CB-CB 3.56Å; L38-F41 HydrophobicContact CB-CG 4.25Å; L38-F41 HydrophobicContact CD2-CB 4.5Å; L38-F41 HydrophobicContact CD2-CD2 4.15Å; L38-F41 HydrophobicContact CD2-CG 4.42Å; Y39-F41 PolarHBondContact O-N 2.91Å; F41-H43 AromaticContact CE1-CE1 3.91Å; F41-H43 AromaticContact CE1-ND1 3.88Å; F41-L46 HydrophobicContact CE2-CD2 4.29Å; F41-L46 HydrophobicContact CZ-CD2 3.76Å; F41-Y49 HydrophobicContact CD2-CD2 4.36Å; F41-Y49 AromaticContact CD2-CE2 3.78Å; F41-Y49 HydrophobicContact CD2-CE2 3.78Å; F41-Y49 AromaticContact CE2-CD2 3.87Å; F41-Y49 HydrophobicContact CE2-CD2 3.87Å; F41-Y49 AromaticContact CE2-CE2 3.63Å; F41-Y49 HydrophobicContact CE2-CE2 3.63Å; F41-Y49 HydrophobicContact CZ-CE2 4.25Å; F41-V96 HydrophobicContact CE1-CG2 4.23Å; F41-V96 HydrophobicContact CZ-CG2 3.95Å; F41-T139 HydrophobicContact CD1-CG2 4.03Å; F41-T139 PolarHBondContact O-OG1 2.88Å; F41-T139 VanDerWaalsContact O-OG1 3.08Å; F41-L141 HydrophobicContact CD1-CD1 4.42Å; F41-L141 HydrophobicContact CE1-CD1 4.05Å; F41-F164 HydrophobicContact CB-CD1 3.91Å; F41-F164 HydrophobicContact CB-CE1 4.08Å; F41-F164 HydrophobicContact CB-CG 4.43Å; F41-F164 HydrophobicContact CD2-CD1 4.16Å; F41-F164 HydrophobicContact CD2-CD2 4.29Å; F41-F164 AromaticContact CD2-CE1 3.74Å; F41-F164 HydrophobicContact CD2-CE1 3.74Å; F41-F164 AromaticContact CD2-CE2 3.88Å; F41-F164 HydrophobicContact CD2-CE2 3.88Å; F41-F164 HydrophobicContact CD2-CG 4.42Å; F41-F164 AromaticContact CD2-CZ 3.59Å; F41-F164 HydrophobicContact CD2-CZ 3.59Å; F41-F164 HydrophobicContact CE2-CE2 4.4Å; F41-F164 HydrophobicContact CE2-CZ 4.19Å; F41-F164 HydrophobicContact CG-CE1 4.38Å
42R96.8Very high97.4Very high127 Ų12756.9 Ų56.948%0.47926%0.263SS..  trans-136.7126.3178.2-62.3-176.6-175.9-166.30.6111Q40 T44 Q45 Y49Q40-R42 PolarHBondContact O-N 3.25Å; R42-T44 PolarHBondContact O-N 3.08Å; R42-Q45 HydrophobicContact CB-CG 4.24Å; R42-Q45 PolarHBondContact O-N 2.96Å; R42-Y49 PolarHBondContact N-OH 3.33Å; R42-Y49 WeakPolarHBondContact O-CE2 3.46Å
43H95.8Very high97.4Very high57 Ų5756.9 Ų56.926%0.26426%0.263SS..G310 helixtrans-58.4-19.2174.6-62.471.1000113.7F41 Q45 L46 E94F41-H43 AromaticContact CE1-CE1 3.91Å; F41-H43 AromaticContact CE1-ND1 3.88Å; H43-Q45 VanDerWaalsContact C-N 3.31Å; H43-L46 VanDerWaalsContact O-CG 3.3Å; H43-L46 WeakPolarHBondContact O-CG 3.48Å; H43-E94 PolarHBondContact NE2-O 3.06Å
44T96.4Very high97.3Very high129 Ų12958.1 Ų58.179%0.79127%0.272SS*.G310 helixtrans-76.2-17.3176.154.90000113.5R42R42-T44 PolarHBondContact O-N 3.08Å
45Q97.4Very high97.2Very high76 Ų7659.1 Ų59.136%0.35529%0.288SS..G310 helixtrans-101.88-174.5-66.3-170.49.500114.2R42 H43 K47 T48 Y49R42-Q45 HydrophobicContact CB-CG 4.24Å; R42-Q45 PolarHBondContact O-N 2.96Å; H43-Q45 VanDerWaalsContact C-N 3.31Å; Q45-K47 VanDerWaalsContact C-N 3.25Å; Q45-K47 PolarHBondContact O-N 3.02Å; Q45-K47 VanDerWaalsContact O-N 3.08Å; Q45-T48 WeakPolarHBondContact O-CA 3.31Å; Q45-T48 VanDerWaalsContact O-CB 3.29Å; Q45-T48 WeakPolarHBondContact O-CB 3.27Å; Q45-T48 PolarHBondContact O-N 3.49Å; Q45-Y49 HydrophobicContact CB-CD1 4.31Å; Q45-Y49 HydrophobicContact CB-CD2 4.46Å; Q45-Y49 HydrophobicContact CB-CE1 3.67Å; Q45-Y49 HydrophobicContact CB-CE2 3.85Å; Q45-Y49 VanDerWaalsContact CB-CZ 3.41Å; Q45-Y49 PolarHBondContact O-N 3Å; Q45-Y49 PolarHBondContact OE1-OH 3.4Å
46L97.6Very high97.1Very high13 Ų1360.6 Ų60.67%0.06830%0.295CS..Hα-helixtrans-53.2-36-174.4-67.8-175.4000114.6F41 H43 T48 Y49 A50 F80 V82 V96F41-L46 HydrophobicContact CE2-CD2 4.29Å; F41-L46 HydrophobicContact CZ-CD2 3.76Å; H43-L46 VanDerWaalsContact O-CG 3.3Å; H43-L46 WeakPolarHBondContact O-CG 3.48Å; L46-T48 VanDerWaalsContact C-N 3.34Å; L46-T48 PolarHBondContact O-N 3.3Å; L46-Y49 HydrophobicContact CD2-CD2 3.87Å; L46-Y49 HydrophobicContact CD2-CE2 4.32Å; L46-Y49 PolarHBondContact O-N 3.04Å; L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 2.73Å; L46-F80 HydrophobicContact CB-CB 3.75Å; L46-F80 HydrophobicContact CD1-CB 4.4Å; L46-F80 HydrophobicContact CD2-CB 4Å; L46-F80 HydrophobicContact CD2-CD1 3.91Å; L46-F80 HydrophobicContact CD2-CG 4.35Å; L46-F80 HydrophobicContact CG-CB 4.23Å; L46-V82 HydrophobicContact CD1-CG2 3.43Å; L46-V82 VanDerWaalsContact CD1-CG2 3.43Å; L46-V96 HydrophobicContact CD2-CG1 4.03Å
47K97.4Very high96.9Very high193 Ų19359.5 Ų59.584%0.83929%0.288SS*.Hα-helixtrans-64.8-38.1175.5-69.6-177.2-179.9176.60112.2Q45 R51Q45-K47 VanDerWaalsContact C-N 3.25Å; Q45-K47 PolarHBondContact O-N 3.02Å; Q45-K47 VanDerWaalsContact O-N 3.08Å; K47-R51 PolarHBondContact O-N 2.97Å
48T97.9Very high96.5Very high52 Ų5260.9 Ų60.932%0.31930%0.301SS..Hα-helixtrans-67.5-45.8176.1-55.80000110.3Q45 L46 A50 R51 Q52Q45-T48 WeakPolarHBondContact O-CA 3.31Å; Q45-T48 VanDerWaalsContact O-CB 3.29Å; Q45-T48 WeakPolarHBondContact O-CB 3.27Å; Q45-T48 PolarHBondContact O-N 3.49Å; L46-T48 VanDerWaalsContact C-N 3.34Å; L46-T48 PolarHBondContact O-N 3.3Å; T48-A50 VanDerWaalsContact C-N 3.33Å; T48-A50 PolarHBondContact O-N 3.34Å; T48-R51 PolarHBondContact O-N 3.1Å; T48-Q52 HydrophobicContact CG2-CG 4.44Å; T48-Q52 WeakPolarHBondContact O-CG 3.38Å; T48-Q52 PolarHBondContact O-N 3.34Å
49Y98.4Very high96.1Very high4 Ų462.7 Ų62.72%0.01632%0.316CS..Hα-helixtrans-58.6-43176.5-59.6-20.4000112.1F41 R42 Q45 L46 R51 Q52 L53 W159 F164F41-Y49 HydrophobicContact CD2-CD2 4.36Å; F41-Y49 AromaticContact CD2-CE2 3.78Å; F41-Y49 HydrophobicContact CD2-CE2 3.78Å; F41-Y49 AromaticContact CE2-CD2 3.87Å; F41-Y49 HydrophobicContact CE2-CD2 3.87Å; F41-Y49 AromaticContact CE2-CE2 3.63Å; F41-Y49 HydrophobicContact CE2-CE2 3.63Å; F41-Y49 HydrophobicContact CZ-CE2 4.25Å; R42-Y49 PolarHBondContact N-OH 3.33Å; R42-Y49 WeakPolarHBondContact O-CE2 3.46Å; Q45-Y49 HydrophobicContact CB-CD1 4.31Å; Q45-Y49 HydrophobicContact CB-CD2 4.46Å; Q45-Y49 HydrophobicContact CB-CE1 3.67Å; Q45-Y49 HydrophobicContact CB-CE2 3.85Å; Q45-Y49 VanDerWaalsContact CB-CZ 3.41Å; Q45-Y49 PolarHBondContact O-N 3Å; Q45-Y49 PolarHBondContact OE1-OH 3.4Å; L46-Y49 HydrophobicContact CD2-CD2 3.87Å; L46-Y49 HydrophobicContact CD2-CE2 4.32Å; L46-Y49 PolarHBondContact O-N 3.04Å; Y49-R51 PolarHBondContact O-N 3.21Å; Y49-Q52 PolarHBondContact O-N 2.96Å; Y49-L53 WeakPolarHBondContact O-CB 3.33Å; Y49-L53 PolarHBondContact O-N 3.37Å; Y49-W159 HydrophobicContact CD1-CH2 4.34Å; Y49-W159 HydrophobicContact CG-CH2 4.17Å; Y49-F164 HydrophobicContact CD1-CE1 4.4Å; Y49-F164 AromaticContact CD1-CZ 3.84Å; Y49-F164 HydrophobicContact CD1-CZ 3.84Å; Y49-F164 AromaticContact CD2-CZ 3.92Å; Y49-F164 HydrophobicContact CD2-CZ 3.92Å; Y49-F164 AromaticContact CE1-CE1 3.76Å; Y49-F164 HydrophobicContact CE1-CE1 3.76Å; Y49-F164 AromaticContact CE1-CZ 3.66Å; Y49-F164 HydrophobicContact CE1-CZ 3.66Å; Y49-F164 HydrophobicContact CE2-CE1 4.07Å; Y49-F164 AromaticContact CE2-CZ 3.75Å; Y49-F164 HydrophobicContact CE2-CZ 3.75Å; Y49-F164 AromaticContact CG-CZ 3.99Å; Y49-F164 HydrophobicContact CG-CZ 3.99Å; Y49-F164 AromaticContact CZ-CE1 3.57Å; Y49-F164 AromaticContact CZ-CZ 3.61Å
50A97.7Very high95.7Very high13 Ų1361 Ų6111%0.10731%0.311CS..Hα-helixtrans-56.9-47.8174.800000112.2L46 T48 S54 F80L46-A50 WeakPolarHBondContact O-CB 3.34Å; L46-A50 PolarHBondContact O-N 2.73Å; T48-A50 VanDerWaalsContact C-N 3.33Å; T48-A50 PolarHBondContact O-N 3.34Å; A50-S54 VanDerWaalsContact O-CB 3.29Å; A50-S54 WeakPolarHBondContact O-CB 3.47Å; A50-S54 PolarHBondContact O-N 3.31Å; A50-F80 HydrophobicContact CB-CD2 3.81Å
51R97Very high94.8Very high182 Ų18260.2 Ų60.269%0.68731%0.306SS*.Hα-helixtrans-63.9-43.9178-177.6176.760.3175-1.4111.9K47 T48 Y49 S54 A55K47-R51 PolarHBondContact O-N 2.97Å; T48-R51 PolarHBondContact O-N 3.1Å; Y49-R51 PolarHBondContact O-N 3.21Å; R51-S54 PolarHBondContact O-N 3.2Å; R51-A55 PolarHBondContact O-N 2.99Å
52Q97.6Very high93.7Very high83 Ų8366.7 Ų66.739%0.38834%0.336SS..Hα-helixtrans-64.1-47.8179.9-74.2170-26.500111.8T48 Y49 S54 A55 F56 W159T48-Q52 HydrophobicContact CG2-CG 4.44Å; T48-Q52 WeakPolarHBondContact O-CG 3.38Å; T48-Q52 PolarHBondContact O-N 3.34Å; Y49-Q52 PolarHBondContact O-N 2.96Å; Q52-S54 VanDerWaalsContact C-N 3.32Å; Q52-S54 PolarHBondContact O-N 3.06Å; Q52-A55 PolarHBondContact O-N 3.26Å; Q52-F56 WeakPolarHBondContact O-CB 3.25Å; Q52-F56 PolarHBondContact O-N 3.35Å; Q52-W159 HydrophobicContact CB-CZ2 3.73Å
53L97.5Very high92.3Very high0 Ų067.7 Ų67.70%035%0.347CS..Hα-helixtrans-64.6-37.7177.6-179.857.3000111.8Y49 A55 F56 I57 V78 F80 I98 V156 W159Y49-L53 WeakPolarHBondContact O-CB 3.33Å; Y49-L53 PolarHBondContact O-N 3.37Å; L53-A55 PolarHBondContact O-N 3.37Å; L53-F56 HydrophobicContact CD1-CD1 4.34Å; L53-F56 PolarHBondContact O-N 2.94Å; L53-I57 HydrophobicContact CD1-CD1 4Å; L53-I57 HydrophobicContact CD1-CG1 4.05Å; L53-I57 HydrophobicContact CG-CD1 3.98Å; L53-I57 HydrophobicContact CG-CG1 4.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 2.87Å; L53-V78 HydrophobicContact CB-CG1 4.22Å; L53-V78 HydrophobicContact CD2-CG1 3.76Å; L53-V78 HydrophobicContact CG-CG1 4.15Å; L53-V78 HydrophobicContact CG-CG2 4.19Å; L53-F80 HydrophobicContact CB-CE2 4.29Å; L53-F80 HydrophobicContact CD2-CE2 3.82Å; L53-F80 HydrophobicContact CD2-CZ 3.92Å; L53-I98 HydrophobicContact CD2-CG2 4.09Å; L53-V156 HydrophobicContact CD1-CG2 4.37Å; L53-V156 HydrophobicContact CD2-CG1 4.22Å; L53-V156 HydrophobicContact CD2-CG2 4.12Å; L53-W159 HydrophobicContact CB-CD2 3.88Å; L53-W159 HydrophobicContact CB-CE3 4.02Å; L53-W159 HydrophobicContact CB-CG 4.42Å; L53-W159 HydrophobicContact CB-CH2 4.44Å; L53-W159 HydrophobicContact CB-CZ2 4.27Å; L53-W159 HydrophobicContact CB-CZ3 4.29Å; L53-W159 HydrophobicContact CD1-CB 3.56Å; L53-W159 HydrophobicContact CD1-CD2 3.64Å; L53-W159 HydrophobicContact CD1-CE3 3.87Å; L53-W159 HydrophobicContact CD1-CG 3.49Å; L53-W159 VanDerWaalsContact CD1-CG 3.49Å; L53-W159 HydrophobicContact CD2-CE3 4.19Å; L53-W159 HydrophobicContact CG-CD2 4.24Å; L53-W159 HydrophobicContact CG-CE3 4.24Å
54S95.2Very high90.6Very high29 Ų2968.3 Ų68.320%0.20337%0.368CS..Hα-helixtrans-61-44.4175.1-159.60000111.9A50 R51 Q52 A58 F76A50-S54 VanDerWaalsContact O-CB 3.29Å; A50-S54 WeakPolarHBondContact O-CB 3.47Å; A50-S54 PolarHBondContact O-N 3.31Å; R51-S54 PolarHBondContact O-N 3.2Å; Q52-S54 VanDerWaalsContact C-N 3.32Å; Q52-S54 PolarHBondContact O-N 3.06Å; S54-A58 PolarHBondContact O-N 3.5Å; S54-F76 PolarHBondContact OG-O 3.17Å
55A94.2Very high88.7Confident61 Ų6166.5 Ų66.550%0.50435%0.353SS..Hα-helixtrans-67-40.3176.200000111.9R51 Q52 L53 A58 A59R51-A55 PolarHBondContact O-N 2.99Å; Q52-A55 PolarHBondContact O-N 3.26Å; L53-A55 PolarHBondContact O-N 3.37Å; A55-A58 PolarHBondContact O-N 2.93Å; A55-A59 WeakPolarHBondContact O-CB 3.5Å; A55-A59 PolarHBondContact O-N 3.27Å
56F95Very high86.1Confident31 Ų3167.2 Ų67.214%0.13637%0.372CS..Hα-helixtrans-60.1-49.5176.8-179.6-97.5000112.2Q52 L53 A58 A59 E60 L155 W159 R162Q52-F56 WeakPolarHBondContact O-CB 3.25Å; Q52-F56 PolarHBondContact O-N 3.35Å; L53-F56 HydrophobicContact CD1-CD1 4.34Å; L53-F56 PolarHBondContact O-N 2.94Å; F56-A58 VanDerWaalsContact C-N 3.29Å; F56-A58 PolarHBondContact O-N 3.33Å; F56-A59 PolarHBondContact O-N 3.04Å; F56-E60 HydrophobicContact CD1-CG 4.17Å; F56-E60 HydrophobicContact CD2-CG 4.31Å; F56-E60 HydrophobicContact CE1-CG 3.74Å; F56-E60 HydrophobicContact CE2-CG 3.89Å; F56-E60 WeakPolarHBondContact CE2-OE1 3.29Å; F56-E60 HydrophobicContact CG-CG 4.44Å; F56-E60 HydrophobicContact CZ-CG 3.59Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.33Å; F56-E60 WeakPolarHBondContact O-CG 3.41Å; F56-E60 PolarHBondContact O-N 3Å; F56-L155 HydrophobicContact CE1-CD2 4.25Å; F56-L155 WeakPolarHBondContact CE1-O 2.89Å; F56-W159 HydrophobicContact CB-CG 4.35Å; F56-W159 HydrophobicContact CD1-CB 3.65Å; F56-W159 AromaticContact CD1-CD1 3.86Å; F56-W159 HydrophobicContact CD1-CG 4.05Å; F56-W159 AromaticContact CD2-CD1 3.81Å; F56-W159 HydrophobicContact CE1-CB 3.76Å; F56-W159 HydrophobicContact CG-CB 4.16Å; F56-W159 AromaticContact CG-CD1 3.44Å; F56-W159 VanDerWaalsContact CG-CD1 3.44Å; F56-W159 HydrophobicContact CG-CG 4.1Å; F56-W159 HydrophobicContact CZ-CB 4.37Å; F56-R162 VanDerWaalsContact CE2-NH1 3.34Å
57I93.3Very high83.6Confident0 Ų072.8 Ų72.80%041%0.406CS..Hα-helixtrans-60.4-40.8177.7-68.6169.2000110.9L53 K61 F76 V78 V100 L152 V156L53-I57 HydrophobicContact CD1-CD1 4Å; L53-I57 HydrophobicContact CD1-CG1 4.05Å; L53-I57 HydrophobicContact CG-CD1 3.98Å; L53-I57 HydrophobicContact CG-CG1 4.46Å; L53-I57 WeakPolarHBondContact O-CG1 3.42Å; L53-I57 PolarHBondContact O-N 2.87Å; I57-K61 WeakPolarHBondContact O-CB 3.37Å; I57-K61 WeakPolarHBondContact O-CG 3.2Å; I57-K61 PolarHBondContact O-N 3.27Å; I57-F76 HydrophobicContact CG2-CB 4.28Å; I57-F76 HydrophobicContact CG2-CD2 4.01Å; I57-F76 HydrophobicContact CG2-CG 4.05Å; I57-V78 HydrophobicContact CD1-CG2 4.05Å; I57-V100 HydrophobicContact CD1-CG1 4.36Å; I57-V100 HydrophobicContact CD1-CG2 4.1Å; I57-L152 HydrophobicContact CG2-CD2 4.29Å; I57-V156 HydrophobicContact CD1-CG2 4.49Å
58A90.1Very high80.9Confident44 Ų4471.1 Ų71.136%0.36440%0.402SS..Hα-helixtrans-63.7-42.9177.500000112S54 A55 F56 Q62S54-A58 PolarHBondContact O-N 3.5Å; A55-A58 PolarHBondContact O-N 2.93Å; F56-A58 VanDerWaalsContact C-N 3.29Å; F56-A58 PolarHBondContact O-N 3.33Å; A58-Q62 WeakPolarHBondContact O-CG 3.42Å; A58-Q62 PolarHBondContact O-N 3.23Å
59A89.8Confident78.1Confident39 Ų3975.5 Ų75.532%0.32243%0.428SS..Hα-helixtrans-67.1-47.5179.400000112.7A55 F56 K61 Q62 Q63A55-A59 WeakPolarHBondContact O-CB 3.5Å; A55-A59 PolarHBondContact O-N 3.27Å; F56-A59 PolarHBondContact O-N 3.04Å; A59-K61 VanDerWaalsContact C-N 3.28Å; A59-K61 PolarHBondContact O-N 3.44Å; A59-Q62 WeakPolarHBondContact O-CB 2.87Å; A59-Q62 PolarHBondContact O-N 3.44Å; A59-Q63 PolarHBondContact O-N 3.31Å; A59-Q63 VanDerWaalsContact O-N 3.1Å
60E88.7Confident75.3Confident52 Ų5278.9 Ų78.924%0.24346%0.464CS..Hα-helixtrans-64-34.2-179.1-67.8-79.916000111.7F56 Q62 Q63 G64 L155 R162F56-E60 HydrophobicContact CD1-CG 4.17Å; F56-E60 HydrophobicContact CD2-CG 4.31Å; F56-E60 HydrophobicContact CE1-CG 3.74Å; F56-E60 HydrophobicContact CE2-CG 3.89Å; F56-E60 WeakPolarHBondContact CE2-OE1 3.29Å; F56-E60 HydrophobicContact CG-CG 4.44Å; F56-E60 HydrophobicContact CZ-CG 3.59Å; F56-E60 WeakPolarHBondContact CZ-OE1 3.33Å; F56-E60 WeakPolarHBondContact O-CG 3.41Å; F56-E60 PolarHBondContact O-N 3Å; E60-Q62 VanDerWaalsContact C-N 3.3Å; E60-Q62 PolarHBondContact O-N 3.15Å; E60-Q63 PolarHBondContact O-N 3.28Å; E60-G64 PolarHBondContact O-N 2.95Å; E60-L155 HydrophobicContact CB-CD2 3.65Å; E60-L155 HydrophobicContact CG-CD2 3.9Å; E60-R162 IonicContact OE1-NH1 3.09Å; E60-R162 PolarHBondContact OE1-NH1 3.25Å; E60-R162 VanDerWaalsContact OE1-NH1 3.09Å
61K79.6Confident72.6Confident75 Ų7580.8 Ų80.833%0.32649%0.485SS..Hα-helixtrans-69.8-23.6173.6-78.2-156.8174.9-155.80114.5I57 A59 F76I57-K61 WeakPolarHBondContact O-CB 3.37Å; I57-K61 WeakPolarHBondContact O-CG 3.2Å; I57-K61 PolarHBondContact O-N 3.27Å; A59-K61 VanDerWaalsContact C-N 3.28Å; A59-K61 PolarHBondContact O-N 3.44Å; K61-F76 HydrophobicContact CD-CD2 4.35Å; K61-F76 HydrophobicContact CD-CE2 3.63Å; K61-F76 HydrophobicContact CD-CZ 4.29Å
62Q73.9Confident70.3Confident140 Ų14077 Ų7765%0.65448%0.478SS*.Hα-helixtrans-79.9-34.5173.5-70.7172.4-5.100111.3A58 A59 E60A58-Q62 WeakPolarHBondContact O-CG 3.42Å; A58-Q62 PolarHBondContact O-N 3.23Å; A59-Q62 WeakPolarHBondContact O-CB 2.87Å; A59-Q62 PolarHBondContact O-N 3.44Å; E60-Q62 VanDerWaalsContact C-N 3.3Å; E60-Q62 PolarHBondContact O-N 3.15Å
63Q68.3Low68.4Low149 Ų14976.9 Ų76.970%0.69648%0.478SS*.Hα-helixtrans-76.5-29.5179.8-68.7179.9-6.100113.5A59 E60 L65A59-Q63 PolarHBondContact O-N 3.31Å; A59-Q63 VanDerWaalsContact O-N 3.1Å; E60-Q63 PolarHBondContact O-N 3.28Å; Q63-L65 VanDerWaalsContact C-N 3.26Å; Q63-L65 PolarHBondContact O-N 3.47Å
64G60.8Low66.8Low69 Ų6980.3 Ų80.371%0.71150%0.496SS*.THydrogen-bonded Turntrans-76.7-0.1178.200000115.9E60E60-G64 PolarHBondContact O-N 2.95Å
65L54.5Low66.1Low92 Ų9284 Ų8448%0.48252%0.517SS..  trans-101.593178.6-72.8168.2000110.4Q63 V67Q63-L65 VanDerWaalsContact C-N 3.26Å; Q63-L65 PolarHBondContact O-N 3.47Å; L65-V67 PolarHBondContact O-N 3.29Å
66A43.3Very low65.8Low91 Ų9182.1 Ų82.175%0.75250%0.497SS*.SBendtrans-67.8108.1155.300000107.9E68A66-E68 PolarHBondContact O-N 2.87Å
67V46.3Very low65.7Low129 Ų12986.6 Ų86.678%0.78252%0.517SS*.  trans40.874.6161.3-165.40000115L65 V69L65-V67 PolarHBondContact O-N 3.29Å; V67-V69 HydrophobicContact CG1-CG2 4.39Å
68E39.5Very low65.8Low159 Ų15987.1 Ų87.174%0.74352%0.52SS*.  trans-115.1102.5146.9-88.8-167.8170.600108.7A66 G70A66-E68 PolarHBondContact O-N 2.87Å; E68-G70 PolarHBondContact O-N 3.42Å; E68-G70 VanDerWaalsContact O-N 3.12Å
69V40.3Very low66.1Low143 Ų14386.8 Ų86.887%0.86752%0.515SS*.THydrogen-bonded Turntrans-56.6109.7170.1178.60000108.1V67V67-V69 HydrophobicContact CG1-CG2 4.39Å
70G39.7Very low66.5Low75 Ų7585.9 Ų85.977%0.77350%0.504SS*.THydrogen-bonded Turntrans95.621.1162.500000118.7E68E68-G70 PolarHBondContact O-N 3.42Å; E68-G70 VanDerWaalsContact O-N 3.12Å
71G41Very low66.7Low54 Ų5484.8 Ų84.856%0.55750%0.502SS*.  trans-87.7114.2177.700000114.7Q73G71-Q73 PolarHBondContact O-N 3.27Å
72L48.4Very low67.4Low103 Ų10383.4 Ų83.454%0.53950%0.5SS..PPolyproline II helixtrans-52.8124.6175.9-77.195.5000113.7M105 F106L72-M105 HydrophobicContact CD2-CB 4.27Å; L72-M105 HydrophobicContact CD2-SD 3.86Å; L72-M105 HydrophobicContact CG-SD 4.39Å; L72-F106 HydrophobicContact CD1-CZ 4.4Å; L72-F106 HydrophobicContact CD2-CD2 4.19Å; L72-F106 HydrophobicContact CD2-CE1 4.03Å; L72-F106 HydrophobicContact CD2-CE2 3.33Å; L72-F106 HydrophobicContact CD2-CZ 3.23Å; L72-F106 HydrophobicContact CG-CZ 4.46Å
73Q56.9Low68.1Low80 Ų8076.8 Ų76.837%0.37447%0.469SS..PPolyproline II helixtrans-97.5134.4-180-71.2-105.95.100112.4G71G71-Q73 PolarHBondContact O-N 3.27Å
74N65Low68.8Low72 Ų7276.4 Ų76.439%0.38547%0.467SS..PPolyproline II helixtrans-74.9136.2170.9-73.2-18.6000111F76 S102 P104N74-F76 HydrophobicContact CB-CE2 4.34Å; N74-F76 HydrophobicContact CB-CZ 4.28Å; N74-F76 WeakPolarHBondContact O-CD2 3.48Å; N74-F76 WeakPolarHBondContact O-CE2 3.36Å; N74-F76 PolarHBondContact O-N 3.03Å; N74-S102 WeakPolarHBondContact CB-OG 3.44Å; N74-S102 PolarHBondContact ND2-OG 2.95Å; N74-P104 WeakPolarHBondContact OD1-CA 3.32Å
75T79.7Confident69.8Low105 Ų10574 Ų7464%0.64444%0.442SS*.EExtended strand (participates in β ladder)trans-78.2123.3171.4-51.90000109.8K103T75-K103 PolarHBondContact O-N 3.35Å; T75-K103 VanDerWaalsContact O-N 3.12Å
76F87.8Confident71.3Confident22 Ų2269.6 Ų69.610%0.09642%0.419CS..EExtended strand (participates in β ladder)trans-92.7134.8172.9-65.7-79.3000110.3S54 I57 K61 N74 V100 Q101 V116S54-F76 PolarHBondContact OG-O 3.17Å; I57-F76 HydrophobicContact CG2-CB 4.28Å; I57-F76 HydrophobicContact CG2-CD2 4.01Å; I57-F76 HydrophobicContact CG2-CG 4.05Å; K61-F76 HydrophobicContact CD-CD2 4.35Å; K61-F76 HydrophobicContact CD-CE2 3.63Å; K61-F76 HydrophobicContact CD-CZ 4.29Å; N74-F76 HydrophobicContact CB-CE2 4.34Å; N74-F76 HydrophobicContact CB-CZ 4.28Å; N74-F76 WeakPolarHBondContact O-CD2 3.48Å; N74-F76 WeakPolarHBondContact O-CE2 3.36Å; N74-F76 PolarHBondContact O-N 3.03Å; F76-V100 HydrophobicContact CB-CG1 4.35Å; F76-V100 HydrophobicContact CD1-CG1 3.72Å; F76-V100 HydrophobicContact CG-CG1 4.42Å; F76-Q101 CarbonylContact C-O 3.58Å; F76-Q101 WeakPolarHBondContact CA-O 3.3Å; F76-V116 HydrophobicContact CD1-CG2 4.42Å; F76-V116 HydrophobicContact CE1-CG2 4.17Å
77K92.9Very high73.3Confident126 Ų12666.4 Ų66.455%0.54839%0.393SS..EExtended strand (participates in β ladder)trans-120131.7170.4-178.7-179.9179.3-177.70108.3Q101K77-Q101 PolarHBondContact N-O 2.86Å; K77-Q101 PolarHBondContact O-N 3.49Å
78V96.1Very high75.3Confident11 Ų1163.3 Ų63.37%0.06737%0.37CS..EExtended strand (participates in β ladder)trans-109.1143.2178.6-179.20000110L53 I57 F80 I98 Q99 V100L53-V78 HydrophobicContact CB-CG1 4.22Å; L53-V78 HydrophobicContact CD2-CG1 3.76Å; L53-V78 HydrophobicContact CG-CG1 4.15Å; L53-V78 HydrophobicContact CG-CG2 4.19Å; I57-V78 HydrophobicContact CD1-CG2 4.05Å; V78-F80 HydrophobicContact CG1-CD2 3.99Å; V78-F80 HydrophobicContact CG1-CE2 3.75Å; V78-I98 HydrophobicContact CG1-CG2 4.38Å; V78-Q99 CarbonylContact C-O 3.54Å; V78-Q99 VanDerWaalsContact CA-O 3.31Å; V78-Q99 WeakPolarHBondContact CA-O 3.33Å; V78-V100 HydrophobicContact CG2-CG2 4.23Å
79S96.3Very high77.5Confident37 Ų3758.2 Ų58.226%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-128.7143.1167.755.90000111.1I98 Q99S79-I98 WeakPolarHBondContact O-CA 3.32Å; S79-Q99 PolarHBondContact N-O 3.06Å; S79-Q99 PolarHBondContact O-N 2.93Å
80F97Very high79.6Confident20 Ų2059.8 Ų59.89%0.08835%0.353CS..EExtended strand (participates in β ladder)trans-116.6133166.4-77.3-114.2000108.1L46 A50 L53 V78 V96 L97 I98 W159L46-F80 HydrophobicContact CB-CB 3.75Å; L46-F80 HydrophobicContact CD1-CB 4.4Å; L46-F80 HydrophobicContact CD2-CB 4Å; L46-F80 HydrophobicContact CD2-CD1 3.91Å; L46-F80 HydrophobicContact CD2-CG 4.35Å; L46-F80 HydrophobicContact CG-CB 4.23Å; A50-F80 HydrophobicContact CB-CD2 3.81Å; L53-F80 HydrophobicContact CB-CE2 4.29Å; L53-F80 HydrophobicContact CD2-CE2 3.82Å; L53-F80 HydrophobicContact CD2-CZ 3.92Å; V78-F80 HydrophobicContact CG1-CD2 3.99Å; V78-F80 HydrophobicContact CG1-CE2 3.75Å; F80-V96 HydrophobicContact CD1-CG1 3.85Å; F80-L97 CarbonylContact C-O 3.5Å; F80-L97 VanDerWaalsContact CA-O 3.26Å; F80-L97 WeakPolarHBondContact CA-O 3.31Å; F80-I98 HydrophobicContact CD1-CD1 4.23Å; F80-I98 HydrophobicContact CD1-CG1 3.77Å; F80-I98 HydrophobicContact CD2-CG2 4.32Å; F80-I98 HydrophobicContact CE1-CD1 3.52Å; F80-I98 HydrophobicContact CE1-CG1 3.56Å; F80-I98 HydrophobicContact CE1-CG2 4.31Å; F80-I98 HydrophobicContact CE2-CG2 3.92Å; F80-I98 HydrophobicContact CG-CG1 4.41Å; F80-I98 HydrophobicContact CZ-CD1 3.88Å; F80-I98 HydrophobicContact CZ-CG1 4.03Å; F80-I98 HydrophobicContact CZ-CG2 3.91Å; F80-W159 HydrophobicContact CE1-CZ3 4.48Å; F80-W159 HydrophobicContact CZ-CH2 4.29Å; F80-W159 AromaticContact CZ-CZ3 3.76Å; F80-W159 HydrophobicContact CZ-CZ3 3.76Å
81S93.8Very high81.9Confident29 Ų2959.4 Ų59.420%0.20333%0.333CS..EExtended strand (participates in β ladder)trans-138.1147.8175.2540000111.4V96 L97S81-V96 WeakPolarHBondContact O-CA 3.31Å; S81-L97 PolarHBondContact N-O 3.2Å; S81-L97 PolarHBondContact O-N 3.34Å; S81-L97 WeakPolarHBondContact OG-CB 3.44Å
82V93.2Very high84.3Confident45 Ų4557.2 Ų57.227%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-83.3132.8173.3-175.10000109L46 Q84 E94L46-V82 HydrophobicContact CD1-CG2 3.43Å; L46-V82 VanDerWaalsContact CD1-CG2 3.43Å; V82-Q84 HydrophobicContact CG1-CG 4.18Å; V82-E94 HydrophobicContact CG1-CB 3.52Å; V82-E94 HydrophobicContact CG1-CG 4.1Å
83L88.6Confident86.4Confident1 Ų153.6 Ų53.61%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-94.390.4165.3-71.6-155.7000110.2H21 L25 L86 E94 T95 W120H21-L83 HydrophobicContact CB-CD2 3.46Å; H21-L83 VanDerWaalsContact CB-CD2 3.46Å; H21-L83 WeakPolarHBondContact ND1-CD2 3.44Å; L25-L83 HydrophobicContact CD1-CD1 3.73Å; L83-L86 HydrophobicContact CB-CD1 4Å; L83-L86 HydrophobicContact CB-CG 4.48Å; L83-L86 HydrophobicContact CD1-CD1 3.59Å; L83-L86 HydrophobicContact CG-CD1 4.49Å; L83-E94 VanDerWaalsContact O-OE2 3.06Å; L83-T95 HydrophobicContact CB-CG2 4.11Å; L83-T95 HydrophobicContact CD1-CG2 4.18Å; L83-T95 HydrophobicContact CG-CG2 4.31Å; L83-T95 PolarHBondContact N-O 3.43Å; L83-W120 HydrophobicContact CD1-CE3 3.53Å; L83-W120 HydrophobicContact CD1-CH2 3.76Å; L83-W120 HydrophobicContact CD1-CZ3 3.01Å; L83-W120 HydrophobicContact CD2-CH2 4.4Å; L83-W120 HydrophobicContact CD2-CZ3 3.76Å; L83-W120 HydrophobicContact CG-CE3 3.96Å; L83-W120 HydrophobicContact CG-CH2 4.37Å; L83-W120 HydrophobicContact CG-CZ3 3.39Å
84Q84.1Confident88.1Confident141 Ų14152.5 Ų52.566%0.65929%0.287SS*.THydrogen-bonded Turntrans-63.1146.1173.3-68.8179.2-2500111.2V82V82-Q84 HydrophobicContact CG1-CG 4.18Å
85G81.1Confident89.6Confident19 Ų1949.1 Ų49.120%0.19627%0.268CS..THydrogen-bonded Turntrans84.711.1170.400000115.2K16K16-G85 WeakPolarHBondContact CD-O 3.2Å
86L86Confident90.4Very high0 Ų044.1 Ų44.10%024%0.238CC..  trans-95.9-24.3166.2-70.2-174.9000113V17 L25 L83 E88 T95 I124 L297 I298V17-L86 HydrophobicContact CG2-CD2 3.83Å; V17-L86 HydrophobicContact CG2-CG 4.03Å; L25-L86 HydrophobicContact CD1-CD1 4.43Å; L83-L86 HydrophobicContact CB-CD1 4Å; L83-L86 HydrophobicContact CB-CG 4.48Å; L83-L86 HydrophobicContact CD1-CD1 3.59Å; L83-L86 HydrophobicContact CG-CD1 4.49Å; L86-E88 PolarHBondContact O-N 3.4Å; L86-T95 HydrophobicContact CD1-CG2 3.96Å; L86-I124 HydrophobicContact CB-CD1 3.87Å; L86-I124 WeakPolarHBondContact O-CD1 3.46Å; L86-L297 HydrophobicContact CD2-CD2 3.75Å; L86-I298 HydrophobicContact CB-CD1 4.45Å; L86-I298 HydrophobicContact CD2-CD1 3.64Å
87A86.6Confident90.7Very high23 Ų2343 Ų4319%0.1923%0.233CC..  trans-65.6127.8168.600000109.5D92A87-D92 HydrophobicContact CB-CB 3.83Å
88E86.7Confident91Very high64 Ų6437 Ų3730%0.29921%0.207SC..  trans-102-22.4-179-73.4-779400111.8Q11 K16 L86 D92 I124 N125 I298Q11-E88 PolarHBondContact NE2-OE2 3.41Å; K16-E88 IonicContact NZ-OE1 3.12Å; K16-E88 PolarHBondContact NZ-OE1 2.82Å; L86-E88 PolarHBondContact O-N 3.4Å; E88-D92 PolarHBondContact N-OD2 3.28Å; E88-I124 HydrophobicContact CG-CG2 4.18Å; E88-N125 WeakPolarHBondContact CB-OD1 3.39Å; E88-I298 HydrophobicContact CG-CD1 4.48Å; E88-I298 HydrophobicContact CG-CG2 3.6Å
89T85.5Confident90.9Very high53 Ų5337.7 Ų37.733%0.32521%0.209SC..SBendtrans-120.9162.6176.172.60000111.8D91 D92T89-D91 PolarHBondContact O-N 2.88Å; T89-D91 PolarHBondContact OG1-N 3.21Å; T89-D92 PolarHBondContact N-OD2 3.26Å; T89-D92 VanDerWaalsContact N-OD2 3.14Å; T89-D92 PolarHBondContact O-N 3.22Å; T89-D92 PolarHBondContact OG1-N 3.14Å; T89-D92 PolarHBondContact OG1-OD1 2.95Å; T89-D92 PolarHBondContact OG1-OD2 3.25Å
90N84.7Confident90.9Very high176 Ų17636 Ų3694%0.94120%0.197SC*.THydrogen-bonded Turntrans-66.1-21.7175.6-69-28.3000113
91D88.3Confident90.7Very high66 Ų6636.9 Ų36.935%0.35320%0.201SC..THydrogen-bonded Turntrans-84.2-21.6178.8-66.9-30.3000111.8T89 P93 L131 Q132T89-D91 PolarHBondContact O-N 2.88Å; T89-D91 PolarHBondContact OG1-N 3.21Å; D91-P93 WeakPolarHBondContact O-CD 3.17Å; D91-L131 HydrophobicContact CB-CD1 4.08Å; D91-Q132 PolarHBondContact OD2-NE2 2.82Å
92D90.8Very high90.5Very high9 Ų935.8 Ų35.85%0.04819%0.194CC..SBendtrans-70.1118.5179.4-73.2-26.6000111A87 E88 T89 N125 G126A87-D92 HydrophobicContact CB-CB 3.83Å; E88-D92 PolarHBondContact N-OD2 3.28Å; T89-D92 PolarHBondContact N-OD2 3.26Å; T89-D92 VanDerWaalsContact N-OD2 3.14Å; T89-D92 PolarHBondContact O-N 3.22Å; T89-D92 PolarHBondContact OG1-N 3.14Å; T89-D92 PolarHBondContact OG1-OD1 2.95Å; T89-D92 PolarHBondContact OG1-OD2 3.25Å; D92-N125 PolarHBondContact OD1-N 3.43Å; D92-N125 PolarHBondContact OD2-N 3.49Å; D92-G126 PolarHBondContact OD1-N 3.05Å
93P93Very high90.1Very high26 Ų2636.5 Ų36.517%0.16919%0.194CC..PPolyproline II helixtrans-67.5141.5172.3-2236.2000111.3D91 T95 T139 C140 L141D91-P93 WeakPolarHBondContact O-CD 3.17Å; P93-T95 PolarHBondContact O-N 3.2Å; P93-T139 HydrophobicContact CB-CG2 3.93Å; P93-T139 HydrophobicContact CG-CG2 4.11Å; P93-C140 WeakPolarHBondContact CG-O 3.43Å; P93-L141 HydrophobicContact CB-CD2 3.96Å; P93-L141 HydrophobicContact CB-CG 4.41Å
94E93.9Very high89.4Confident58 Ų5839.7 Ų39.727%0.27121%0.214SC..PPolyproline II helixtrans-59.8141.1179.6-73.2-74.1-165.800112.1H43 V82 L83H43-E94 PolarHBondContact NE2-O 3.06Å; V82-E94 HydrophobicContact CG1-CB 3.52Å; V82-E94 HydrophobicContact CG1-CG 4.1Å; L83-E94 VanDerWaalsContact O-OE2 3.06Å
95T95.1Very high88.5Confident0 Ų039.3 Ų39.30%021%0.214CC..EExtended strand (participates in β ladder)trans-68.5140.8-179-69.90000110.7L83 L86 P93 W120 L121 S122L83-T95 HydrophobicContact CB-CG2 4.11Å; L83-T95 HydrophobicContact CD1-CG2 4.18Å; L83-T95 HydrophobicContact CG-CG2 4.31Å; L83-T95 PolarHBondContact N-O 3.43Å; L86-T95 HydrophobicContact CD1-CG2 3.96Å; P93-T95 PolarHBondContact O-N 3.2Å; T95-W120 HydrophobicContact CG2-CE3 4.3Å; T95-L121 WeakPolarHBondContact CA-O 3.35Å; T95-L121 WeakPolarHBondContact CG2-O 3.5Å; T95-S122 WeakPolarHBondContact OG1-CB 3.44Å; T95-S122 PolarHBondContact OG1-OG 2.96Å
96V96.4Very high87.9Confident0 Ų046.9 Ų46.90%024%0.242CC..EExtended strand (participates in β ladder)trans-115.7125.7-178.5177.80000110.2F41 L46 F80 S81 I98 W120 L121 L141F41-V96 HydrophobicContact CE1-CG2 4.23Å; F41-V96 HydrophobicContact CZ-CG2 3.95Å; L46-V96 HydrophobicContact CD2-CG1 4.03Å; F80-V96 HydrophobicContact CD1-CG1 3.85Å; S81-V96 WeakPolarHBondContact O-CA 3.31Å; V96-I98 HydrophobicContact CG1-CG1 4.41Å; V96-W120 CarbonylContact O-C 3.56Å; V96-W120 VanDerWaalsContact O-CA 3.26Å; V96-W120 WeakPolarHBondContact O-CA 3.46Å; V96-L121 HydrophobicContact CB-CB 4.4Å; V96-L121 PolarHBondContact N-O 2.84Å; V96-L121 PolarHBondContact O-N 3.23Å; V96-L141 HydrophobicContact CG2-CD1 4.32Å
97L95.7Very high87.2Confident0 Ų048 Ų480%025%0.251CS..EExtended strand (participates in β ladder)trans-91.3136.2170.2179.650000110.2L24 F80 S81 Q99 G119 W120L24-L97 HydrophobicContact CD1-CD2 4.06Å; F80-L97 CarbonylContact C-O 3.5Å; F80-L97 VanDerWaalsContact CA-O 3.26Å; F80-L97 WeakPolarHBondContact CA-O 3.31Å; S81-L97 PolarHBondContact N-O 3.2Å; S81-L97 PolarHBondContact O-N 3.34Å; S81-L97 WeakPolarHBondContact OG-CB 3.44Å; L97-Q99 HydrophobicContact CD1-CG 3.83Å; L97-Q99 HydrophobicContact CD2-CG 4.05Å; L97-Q99 HydrophobicContact CG-CG 3.84Å; L97-G119 WeakPolarHBondContact CD1-O 3.31Å; L97-W120 HydrophobicContact CB-CE3 3.58Å; L97-W120 HydrophobicContact CB-CH2 4.14Å; L97-W120 HydrophobicContact CB-CZ3 3.32Å; L97-W120 HydrophobicContact CD1-CD2 3.68Å; L97-W120 HydrophobicContact CD1-CE3 3.53Å; L97-W120 HydrophobicContact CD1-CH2 3.37Å; L97-W120 HydrophobicContact CD1-CZ2 3.5Å; L97-W120 HydrophobicContact CD1-CZ3 3.32Å; L97-W120 HydrophobicContact CD2-CH2 3.57Å; L97-W120 HydrophobicContact CD2-CZ2 4.41Å; L97-W120 HydrophobicContact CD2-CZ3 3.62Å; L97-W120 HydrophobicContact CG-CE3 3.99Å; L97-W120 HydrophobicContact CG-CH2 3.82Å; L97-W120 HydrophobicContact CG-CZ2 4.44Å; L97-W120 HydrophobicContact CG-CZ3 3.52Å
98I97.3Very high86.5Confident0 Ų056.1 Ų56.10%028%0.277CS..EExtended strand (participates in β ladder)trans-121.9128172.4-48.8176.6000107.6L53 V78 S79 F80 V96 W117 S118 G119 L121 L160L53-I98 HydrophobicContact CD2-CG2 4.09Å; V78-I98 HydrophobicContact CG1-CG2 4.38Å; S79-I98 WeakPolarHBondContact O-CA 3.32Å; F80-I98 HydrophobicContact CD1-CD1 4.23Å; F80-I98 HydrophobicContact CD1-CG1 3.77Å; F80-I98 HydrophobicContact CD2-CG2 4.32Å; F80-I98 HydrophobicContact CE1-CD1 3.52Å; F80-I98 HydrophobicContact CE1-CG1 3.56Å; F80-I98 HydrophobicContact CE1-CG2 4.31Å; F80-I98 HydrophobicContact CE2-CG2 3.92Å; F80-I98 HydrophobicContact CG-CG1 4.41Å; F80-I98 HydrophobicContact CZ-CD1 3.88Å; F80-I98 HydrophobicContact CZ-CG1 4.03Å; F80-I98 HydrophobicContact CZ-CG2 3.91Å; V96-I98 HydrophobicContact CG1-CG1 4.41Å; I98-W117 HydrophobicContact CB-CH2 4.4Å; I98-W117 HydrophobicContact CB-CZ3 3.85Å; I98-W117 HydrophobicContact CG2-CH2 4.48Å; I98-W117 HydrophobicContact CG2-CZ3 3.74Å; I98-S118 CarbonylContact O-C 3.52Å; I98-S118 VanDerWaalsContact O-CA 3.32Å; I98-S118 WeakPolarHBondContact O-CA 3.26Å; I98-G119 PolarHBondContact N-O 3.24Å; I98-G119 PolarHBondContact O-N 3.39Å; I98-L121 HydrophobicContact CD1-CD1 4.15Å; I98-L160 HydrophobicContact CD1-CD1 4.33Å
99Q95.7Very high85.5Confident25 Ų2562 Ų6212%0.11730%0.304CS..EExtended strand (participates in β ladder)trans-128.9137.3175.3-56.9-179.5-76.400110.5V78 S79 L97 T115V78-Q99 CarbonylContact C-O 3.54Å; V78-Q99 VanDerWaalsContact CA-O 3.31Å; V78-Q99 WeakPolarHBondContact CA-O 3.33Å; S79-Q99 PolarHBondContact N-O 3.06Å; S79-Q99 PolarHBondContact O-N 2.93Å; L97-Q99 HydrophobicContact CD1-CG 3.83Å; L97-Q99 HydrophobicContact CD2-CG 4.05Å; L97-Q99 HydrophobicContact CG-CG 3.84Å; Q99-T115 HydrophobicContact CB-CG2 4.38Å
100V95.6Very high84.8Confident0 Ų068.1 Ų68.10%033%0.329CS..EExtended strand (participates in β ladder)trans-111.3119.3170.5-175.30000107.4I57 F76 V78 V116 W117 V156I57-V100 HydrophobicContact CD1-CG1 4.36Å; I57-V100 HydrophobicContact CD1-CG2 4.1Å; F76-V100 HydrophobicContact CB-CG1 4.35Å; F76-V100 HydrophobicContact CD1-CG1 3.72Å; F76-V100 HydrophobicContact CG-CG1 4.42Å; V78-V100 HydrophobicContact CG2-CG2 4.23Å; V100-V116 HydrophobicContact CB-CG2 4.39Å; V100-V116 HydrophobicContact CG1-CG2 4.08Å; V100-V116 VanDerWaalsContact O-CG2 3.31Å; V100-V116 WeakPolarHBondContact O-CG2 3.26Å; V100-V116 PolarHBondContact O-N 3.34Å; V100-W117 HydrophobicContact CB-CB 4.08Å; V100-W117 HydrophobicContact CG2-CB 4.34Å; V100-W117 HydrophobicContact CG2-CD2 4.43Å; V100-W117 HydrophobicContact CG2-CE3 3.79Å; V100-W117 PolarHBondContact N-O 3Å; V100-W117 PolarHBondContact O-N 2.88Å; V100-V156 HydrophobicContact CG2-CG2 4.36Å
101Q93.6Very high84.2Confident39 Ų3963.1 Ų63.118%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-106.3142.4176.2-55.3179.3-39.800109.3F76 K77 P113 K114F76-Q101 CarbonylContact C-O 3.58Å; F76-Q101 WeakPolarHBondContact CA-O 3.3Å; K77-Q101 PolarHBondContact N-O 2.86Å; K77-Q101 PolarHBondContact O-N 3.49Å; Q101-P113 HydrophobicContact CB-CB 4.04Å; Q101-K114 CarbonylContact C-O 3.38Å; Q101-K114 VanDerWaalsContact CA-O 3.31Å; Q101-K114 WeakPolarHBondContact CA-O 3.27Å
102S89.6Confident83.7Confident7 Ų765.2 Ų65.25%0.04932%0.32CS..EExtended strand (participates in β ladder)trans-117.6133.4175.8-177.20000108.6N74 K114N74-S102 WeakPolarHBondContact CB-OG 3.44Å; N74-S102 PolarHBondContact ND2-OG 2.95Å; S102-K114 PolarHBondContact N-O 2.82Å; S102-K114 PolarHBondContact O-N 3.49Å
103K83Confident83.3Confident60 Ų6067.3 Ų67.326%0.26133%0.333SS..EExtended strand (participates in β ladder)trans-110117.6167.1-166.3169.3-176.4164.80109T75 A107 R108 Q109 D111 P113T75-K103 PolarHBondContact O-N 3.35Å; T75-K103 VanDerWaalsContact O-N 3.12Å; K103-A107 HydrophobicContact CG-CB 4.02Å; K103-R108 VanDerWaalsContact CE-O 3.32Å; K103-R108 WeakPolarHBondContact CE-O 3.47Å; K103-R108 PolarHBondContact NZ-O 3.2Å; K103-Q109 PolarHBondContact NZ-O 3.45Å; K103-D111 WeakPolarHBondContact CE-O 3.28Å; K103-D111 PolarHBondContact NZ-O 3.49Å; K103-P113 HydrophobicContact CB-CB 4.41Å
104P74.4Confident83.1Confident67 Ų6773.6 Ų73.644%0.43536%0.358SS..  trans-58.2141.8171.9-19.629.9000110.6N74 F106 A107N74-P104 WeakPolarHBondContact OD1-CA 3.32Å; P104-F106 PolarHBondContact O-N 2.92Å; P104-A107 HydrophobicContact CB-CB 4.15Å; P104-A107 HydrophobicContact CG-CB 4.32Å; P104-A107 WeakPolarHBondContact O-CB 3.29Å; P104-A107 PolarHBondContact O-N 3.49Å
105M66.1Low83Confident133 Ų13373.4 Ų73.466%0.65536%0.361SS*.THydrogen-bonded Turntrans-63.7-28.5-177.5-162.3179.1-173.500112.9L72 A107L72-M105 HydrophobicContact CD2-CB 4.27Å; L72-M105 HydrophobicContact CD2-SD 3.86Å; L72-M105 HydrophobicContact CG-SD 4.39Å; M105-A107 VanDerWaalsContact C-N 3.34Å
106F68.9Low82.9Confident178 Ų17875.8 Ų75.878%0.78138%0.376SS*.THydrogen-bonded Turntrans-88.53.2174.8-58.9-65.6000114.3L72 P104L72-F106 HydrophobicContact CD1-CZ 4.4Å; L72-F106 HydrophobicContact CD2-CD2 4.19Å; L72-F106 HydrophobicContact CD2-CE1 4.03Å; L72-F106 HydrophobicContact CD2-CE2 3.33Å; L72-F106 HydrophobicContact CD2-CZ 3.23Å; L72-F106 HydrophobicContact CG-CZ 4.46Å; P104-F106 PolarHBondContact O-N 2.92Å
107A70.1Confident82.9Confident23 Ų2375.9 Ų75.919%0.1938%0.376CS..SBendtrans-68.8136.7175.800000109.1K103 P104 M105 D111K103-A107 HydrophobicContact CG-CB 4.02Å; P104-A107 HydrophobicContact CB-CB 4.15Å; P104-A107 HydrophobicContact CG-CB 4.32Å; P104-A107 WeakPolarHBondContact O-CB 3.29Å; P104-A107 PolarHBondContact O-N 3.49Å; M105-A107 VanDerWaalsContact C-N 3.34Å; A107-D111 WeakPolarHBondContact CA-OD2 3.31Å; A107-D111 HydrophobicContact CB-CB 3.86Å
108R71.6Confident82.9Confident195 Ų19576.2 Ų76.274%0.73638%0.378SS*.  trans-57.8155.5174.8-65.5-178.2177.9-177.30.4109.3K103 E110 D111K103-R108 VanDerWaalsContact CE-O 3.32Å; K103-R108 WeakPolarHBondContact CE-O 3.47Å; K103-R108 PolarHBondContact NZ-O 3.2Å; R108-E110 PolarHBondContact O-N 2.97Å; R108-E110 VanDerWaalsContact O-N 3.1Å; R108-D111 PolarHBondContact N-OD2 2.83Å; R108-D111 WeakPolarHBondContact O-CB 3.37Å; R108-D111 PolarHBondContact O-N 2.94Å
109Q65.4Low82.9Confident188 Ų18876.2 Ų76.288%0.87938%0.378SS*.THydrogen-bonded Turntrans-57.4-31.3-179-161.7171.26.700111.8K103K103-Q109 PolarHBondContact NZ-O 3.45Å
110E71.1Confident82.8Confident181 Ų18175.1 Ų75.185%0.84637%0.373SS*.THydrogen-bonded Turntrans-79.3-16176.9-64.2179.5166.500114.7R108 P112R108-E110 PolarHBondContact O-N 2.97Å; R108-E110 VanDerWaalsContact O-N 3.1Å; E110-P112 WeakPolarHBondContact O-CD 3.43Å
111D73.4Confident82.9Confident71 Ų7175.1 Ų75.138%0.3837%0.373SS..SBendtrans-66.4124.6-178.3-72.1-21.1000109.8K103 A107 R108K103-D111 WeakPolarHBondContact CE-O 3.28Å; K103-D111 PolarHBondContact NZ-O 3.49Å; A107-D111 WeakPolarHBondContact CA-OD2 3.31Å; A107-D111 HydrophobicContact CB-CB 3.86Å; R108-D111 PolarHBondContact N-OD2 2.83Å; R108-D111 WeakPolarHBondContact O-CB 3.37Å; R108-D111 PolarHBondContact O-N 2.94Å
112P77.3Confident83Confident110 Ų11073.3 Ų73.371%0.71437%0.365SS*.PPolyproline II helixtrans-67.7138.6-178.926.8-33.1000109.9E110 K114E110-P112 WeakPolarHBondContact O-CD 3.43Å; P112-K114 PolarHBondContact O-N 2.99Å
113P82.5Confident83.3Confident52 Ų5273 Ų7334%0.33836%0.362SS..PPolyproline II helixtrans-65133.1177.329.5-35.1000109.8Q101 K103Q101-P113 HydrophobicContact CB-CB 4.04Å; K103-P113 HydrophobicContact CB-CB 4.41Å
114K89.1Confident83.8Confident158 Ų15870.1 Ų70.169%0.68735%0.35SS*.EExtended strand (participates in β ladder)trans-86.2128.2-176.7-176.1178.9179.7179.40109.9Q101 S102 P112 V116Q101-K114 CarbonylContact C-O 3.38Å; Q101-K114 VanDerWaalsContact CA-O 3.31Å; Q101-K114 WeakPolarHBondContact CA-O 3.27Å; S102-K114 PolarHBondContact N-O 2.82Å; S102-K114 PolarHBondContact O-N 3.49Å; P112-K114 PolarHBondContact O-N 2.99Å; K114-V116 PolarHBondContact O-N 2.86Å
115T91.3Very high84.5Confident54 Ų5470.5 Ų70.533%0.33135%0.348SS..EExtended strand (participates in β ladder)trans-65.9117169.9-560000109.7Q99 W117 S118Q99-T115 HydrophobicContact CB-CG2 4.38Å; T115-W117 WeakPolarHBondContact CG2-O 3.42Å; T115-S118 WeakPolarHBondContact CG2-OG 3.39Å
116V92.9Very high85.7Confident51 Ų5164.3 Ų64.331%0.30932%0.319SS..EExtended strand (participates in β ladder)trans-104-18.1-179.3-68.30000112.6F76 V100 K114 L152F76-V116 HydrophobicContact CD1-CG2 4.42Å; F76-V116 HydrophobicContact CE1-CG2 4.17Å; V100-V116 HydrophobicContact CB-CG2 4.39Å; V100-V116 HydrophobicContact CG1-CG2 4.08Å; V100-V116 VanDerWaalsContact O-CG2 3.31Å; V100-V116 WeakPolarHBondContact O-CG2 3.26Å; V100-V116 PolarHBondContact O-N 3.34Å; K114-V116 PolarHBondContact O-N 2.86Å; V116-L152 HydrophobicContact CB-CD1 4.45Å; V116-L152 HydrophobicContact CG2-CD1 3.85Å
117W95.8Very high86.7Confident2 Ų259.4 Ų59.41%0.00830%0.301CS..EExtended strand (participates in β ladder)trans-151.9144.1175.1-177.2100.3000110.3I98 V100 T115 F144 K147 L152 S153 V156I98-W117 HydrophobicContact CB-CH2 4.4Å; I98-W117 HydrophobicContact CB-CZ3 3.85Å; I98-W117 HydrophobicContact CG2-CH2 4.48Å; I98-W117 HydrophobicContact CG2-CZ3 3.74Å; V100-W117 HydrophobicContact CB-CB 4.08Å; V100-W117 HydrophobicContact CG2-CB 4.34Å; V100-W117 HydrophobicContact CG2-CD2 4.43Å; V100-W117 HydrophobicContact CG2-CE3 3.79Å; V100-W117 PolarHBondContact N-O 3Å; V100-W117 PolarHBondContact O-N 2.88Å; T115-W117 WeakPolarHBondContact CG2-O 3.42Å; W117-F144 HydrophobicContact CH2-CE2 4.35Å; W117-F144 AromaticContact CH2-CZ 3.85Å; W117-F144 HydrophobicContact CH2-CZ 3.85Å; W117-F144 HydrophobicContact CZ2-CE1 4.49Å; W117-F144 AromaticContact CZ2-CZ 3.79Å; W117-F144 HydrophobicContact CZ2-CZ 3.79Å; W117-K147 CarbonylContact C-O 3.56Å; W117-K147 WeakPolarHBondContact CA-O 3.33Å; W117-L152 HydrophobicContact CB-CB 4.25Å; W117-L152 HydrophobicContact CB-CD1 3.91Å; W117-L152 HydrophobicContact CG-CB 4.14Å; W117-S153 PolarHBondContact NE1-OG 3.12Å; W117-V156 HydrophobicContact CD2-CG2 4.44Å; W117-V156 HydrophobicContact CE3-CG2 4.28Å; W117-V156 HydrophobicContact CH2-CB 4.08Å; W117-V156 HydrophobicContact CH2-CG1 3.61Å; W117-V156 HydrophobicContact CH2-CG2 4.1Å; W117-V156 HydrophobicContact CZ2-CB 4.15Å; W117-V156 HydrophobicContact CZ2-CG1 4.11Å; W117-V156 HydrophobicContact CZ2-CG2 4.26Å; W117-V156 HydrophobicContact CZ3-CG1 4.15Å; W117-V156 HydrophobicContact CZ3-CG2 4.1Å
118S96.6Very high87.7Confident7 Ų761.2 Ų61.25%0.04931%0.311CS..EExtended strand (participates in β ladder)trans-136.4150.9172.5-61.30000110I98 T115 S146 K147I98-S118 CarbonylContact O-C 3.52Å; I98-S118 VanDerWaalsContact O-CA 3.32Å; I98-S118 WeakPolarHBondContact O-CA 3.26Å; T115-S118 WeakPolarHBondContact CG2-OG 3.39Å; S118-S146 CarbonylContact O-C 3.51Å; S118-S146 WeakPolarHBondContact O-CA 3.36Å; S118-K147 PolarHBondContact N-O 3.45Å; S118-K147 PolarHBondContact O-N 3.3Å
119G96.6Very high88.6Confident0 Ų059.4 Ų59.40%031%0.311CS..EExtended strand (participates in β ladder)trans-154.2166.6168.600000113.3L97 I98 C145L97-G119 WeakPolarHBondContact CD1-O 3.31Å; I98-G119 PolarHBondContact N-O 3.24Å; I98-G119 PolarHBondContact O-N 3.39Å; G119-C145 CarbonylContact C-O 3.56Å; G119-C145 WeakPolarHBondContact CA-O 3.49Å
120W94.8Very high89.8Confident2 Ų253.9 Ų53.91%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-134.3142.7-179.2-47.387.1000110.4L24 L25 W30 L83 T95 V96 L97 F144 C145L24-W120 HydrophobicContact CB-CH2 4.2Å; L24-W120 HydrophobicContact CB-CZ2 3.76Å; L24-W120 HydrophobicContact CD1-CH2 4.45Å; L25-W120 HydrophobicContact CD1-CH2 4.36Å; L25-W120 HydrophobicContact CD2-CD2 3.66Å; L25-W120 HydrophobicContact CD2-CE3 4.12Å; L25-W120 HydrophobicContact CD2-CG 4.16Å; L25-W120 HydrophobicContact CD2-CH2 4Å; L25-W120 HydrophobicContact CD2-CZ2 3.53Å; L25-W120 HydrophobicContact CD2-CZ3 4.28Å; L25-W120 HydrophobicContact CG-CH2 3.82Å; L25-W120 HydrophobicContact CG-CZ2 3.57Å; L25-W120 HydrophobicContact CG-CZ3 4.41Å; W30-W120 AromaticContact CE2-NE1 3.64Å; W30-W120 AromaticContact CE3-CD1 3.9Å; W30-W120 AromaticContact CE3-NE1 3.98Å; W30-W120 AromaticContact CH2-CD1 3.57Å; W30-W120 AromaticContact CH2-CE2 3.87Å; W30-W120 HydrophobicContact CH2-CZ2 4.37Å; W30-W120 AromaticContact CH2-NE1 2.85Å; W30-W120 AromaticContact CZ2-CD1 3.84Å; W30-W120 AromaticContact CZ2-CE2 3.96Å; W30-W120 HydrophobicContact CZ2-CZ2 4.32Å; W30-W120 AromaticContact CZ2-NE1 2.97Å; W30-W120 AromaticContact CZ3-CD1 3.56Å; W30-W120 AromaticContact CZ3-NE1 3.37Å; L83-W120 HydrophobicContact CD1-CE3 3.53Å; L83-W120 HydrophobicContact CD1-CH2 3.76Å; L83-W120 HydrophobicContact CD1-CZ3 3.01Å; L83-W120 HydrophobicContact CD2-CH2 4.4Å; L83-W120 HydrophobicContact CD2-CZ3 3.76Å; L83-W120 HydrophobicContact CG-CE3 3.96Å; L83-W120 HydrophobicContact CG-CH2 4.37Å; L83-W120 HydrophobicContact CG-CZ3 3.39Å; T95-W120 HydrophobicContact CG2-CE3 4.3Å; V96-W120 CarbonylContact O-C 3.56Å; V96-W120 VanDerWaalsContact O-CA 3.26Å; V96-W120 WeakPolarHBondContact O-CA 3.46Å; L97-W120 HydrophobicContact CB-CE3 3.58Å; L97-W120 HydrophobicContact CB-CH2 4.14Å; L97-W120 HydrophobicContact CB-CZ3 3.32Å; L97-W120 HydrophobicContact CD1-CD2 3.68Å; L97-W120 HydrophobicContact CD1-CE3 3.53Å; L97-W120 HydrophobicContact CD1-CH2 3.37Å; L97-W120 HydrophobicContact CD1-CZ2 3.5Å; L97-W120 HydrophobicContact CD1-CZ3 3.32Å; L97-W120 HydrophobicContact CD2-CH2 3.57Å; L97-W120 HydrophobicContact CD2-CZ2 4.41Å; L97-W120 HydrophobicContact CD2-CZ3 3.62Å; L97-W120 HydrophobicContact CG-CE3 3.99Å; L97-W120 HydrophobicContact CG-CH2 3.82Å; L97-W120 HydrophobicContact CG-CZ2 4.44Å; L97-W120 HydrophobicContact CG-CZ3 3.52Å; W120-F144 VanDerWaalsContact O-CA 3.29Å; W120-F144 WeakPolarHBondContact O-CA 3.41Å; W120-F144 VanDerWaalsContact O-CD2 3.28Å; W120-F144 WeakPolarHBondContact O-CD2 3.43Å; W120-C145 HydrophobicContact CB-CB 4.35Å; W120-C145 PolarHBondContact N-O 3.47Å; W120-C145 PolarHBondContact O-N 2.69Å
121L97.3Very high90.9Very high0 Ų046.3 Ų46.30%025%0.247CC..EExtended strand (participates in β ladder)trans-115.2124.1167.2-74.1165.4000107.5V35 L38 T95 V96 I98 L141 L143 F144 L160V35-L121 HydrophobicContact CG1-CD2 3.7Å; L38-L121 HydrophobicContact CD2-CD1 4.33Å; T95-L121 WeakPolarHBondContact CA-O 3.35Å; T95-L121 WeakPolarHBondContact CG2-O 3.5Å; V96-L121 HydrophobicContact CB-CB 4.4Å; V96-L121 PolarHBondContact N-O 2.84Å; V96-L121 PolarHBondContact O-N 3.23Å; I98-L121 HydrophobicContact CD1-CD1 4.15Å; L121-L141 HydrophobicContact CB-CB 3.93Å; L121-L141 HydrophobicContact CB-CD1 3.95Å; L121-L141 HydrophobicContact CB-CG 4.44Å; L121-L143 WeakPolarHBondContact CA-O 3.42Å; L121-F144 HydrophobicContact CD2-CB 4.23Å; L121-F144 HydrophobicContact CD2-CD2 3.59Å; L121-F144 HydrophobicContact CD2-CE2 4.42Å; L121-F144 HydrophobicContact CD2-CG 4.35Å; L121-F144 HydrophobicContact CG-CD2 3.91Å; L121-F144 HydrophobicContact CG-CE2 4.42Å; L121-L160 HydrophobicContact CD1-CD1 4.48Å; L121-L160 HydrophobicContact CD1-CD2 4.48Å
122S96.3Very high91.8Very high1 Ų149.2 Ų49.21%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-145.5145.5-171-166.70000112.8T95 I124 L141 P142 L143T95-S122 WeakPolarHBondContact OG1-CB 3.44Å; T95-S122 PolarHBondContact OG1-OG 2.96Å; S122-I124 WeakPolarHBondContact OG-CG1 3.45Å; S122-L141 CarbonylContact O-C 3.58Å; S122-P142 WeakPolarHBondContact O-CD 3.41Å; S122-L143 PolarHBondContact N-O 2.02Å; S122-L143 WeakPolarHBondContact O-CB 3.31Å; S122-L143 PolarHBondContact O-N 2.8Å
123C95.6Very high92.6Very high0 Ų048 Ų480%025%0.253CS..  trans-134.1107.7165.4-168.20000107.1C140 L141 P142C123-C140 VanDerWaalsContact CB-O 3.32Å; C123-C140 WeakPolarHBondContact CB-O 3.19Å; C123-L141 HydrophobicContact CB-CD2 4.31Å; C123-P142 HydrophobicContact CB-CG 4.3Å
124I92.4Very high93.1Very high0 Ų047.2 Ų47.20%025%0.246CC..SBendtrans-118.5126.4176.9-57.5-168.1000108L86 E88 S122 G126 I298 F301 S302 T305L86-I124 HydrophobicContact CB-CD1 3.87Å; L86-I124 WeakPolarHBondContact O-CD1 3.46Å; E88-I124 HydrophobicContact CG-CG2 4.18Å; S122-I124 WeakPolarHBondContact OG-CG1 3.45Å; I124-G126 VanDerWaalsContact C-N 3.27Å; I124-G126 PolarHBondContact O-N 2.91Å; I124-I298 HydrophobicContact CD1-CD1 3.91Å; I124-I298 HydrophobicContact CG2-CD1 4.32Å; I124-I298 HydrophobicContact CG2-CG2 3.96Å; I124-F301 HydrophobicContact CB-CB 4.37Å; I124-F301 HydrophobicContact CD1-CB 3.65Å; I124-F301 HydrophobicContact CD1-CD2 3.67Å; I124-F301 HydrophobicContact CD1-CG 4.17Å; I124-F301 HydrophobicContact CG1-CB 4.26Å; I124-S302 WeakPolarHBondContact CG2-OG 3.27Å; I124-S302 WeakPolarHBondContact O-CA 3.26Å; I124-T305 PolarHBondContact N-OG1 3.37Å; I124-T305 WeakPolarHBondContact O-CG2 3.41Å
125N90.7Very high93.4Very high74 Ų7443.4 Ų43.440%0.39624%0.237SC..SBendtrans50.150-172.9-68.6-51.5000111.4E88 D92 S302E88-N125 WeakPolarHBondContact CB-OD1 3.39Å; D92-N125 PolarHBondContact OD1-N 3.43Å; D92-N125 PolarHBondContact OD2-N 3.49Å; N125-S302 PolarHBondContact ND2-OG 3.47Å
126G90Very high93.4Very high4 Ų451 Ų514%0.04127%0.265CS..  trans-61.5157.9173.800000111.3D92 I124 P128D92-G126 PolarHBondContact OD1-N 3.05Å; I124-G126 VanDerWaalsContact C-N 3.27Å; I124-G126 PolarHBondContact O-N 2.91Å; G126-P128 WeakPolarHBondContact O-CD 3.49Å
127N90.2Very high93.6Very high75 Ų7552 Ų5240%0.40127%0.269SS..  trans-66.2116175.7176.4-54.1000109.3E129 Y130 L131N127-E129 PolarHBondContact O-N 2.82Å; N127-E129 WeakPolarHBondContact OD1-CB 3.01Å; N127-E129 PolarHBondContact OD1-N 2.95Å; N127-Y130 PolarHBondContact O-N 2.92Å; N127-Y130 PolarHBondContact OD1-N 3.26Å; N127-L131 VanDerWaalsContact O-CG 3.3Å; N127-L131 WeakPolarHBondContact O-CG 3.32Å; N127-L131 PolarHBondContact O-N 3.05Å
128P90.4Very high93.6Very high61 Ų6155.2 Ų55.240%0.39628%0.283SS..Hα-helixtrans-63.1-40.1-174.2-24.235.5000113.3G126 Y130 L131 Q132G126-P128 WeakPolarHBondContact O-CD 3.49Å; P128-Y130 VanDerWaalsContact C-N 3.31Å; P128-Y130 PolarHBondContact O-N 2.81Å; P128-L131 PolarHBondContact O-N 3.03Å; P128-Q132 VanDerWaalsContact O-CB 3.3Å; P128-Q132 WeakPolarHBondContact O-CB 3.47Å; P128-Q132 WeakPolarHBondContact O-CG 3.5Å; P128-Q132 PolarHBondContact O-N 3.21Å
129E91Very high93.6Very high157 Ų15756.1 Ų56.173%0.73429%0.288SS*.Hα-helixtrans-60.4-43.8178.3-59.4174.7173.500110.8N127 S133N127-E129 PolarHBondContact O-N 2.82Å; N127-E129 WeakPolarHBondContact OD1-CB 3.01Å; N127-E129 PolarHBondContact OD1-N 2.95Å; E129-S133 VanDerWaalsContact O-CB 3.3Å; E129-S133 WeakPolarHBondContact O-CB 3.33Å; E129-S133 PolarHBondContact O-N 3.44Å; E129-S133 PolarHBondContact O-OG 3.36Å
130Y91.9Very high93.6Very high72 Ų7256.2 Ų56.228%0.28229%0.289SS..Hα-helixtrans-64.8-50.5175.4176.8-107.6000111.4P37 N127 P128 Q132 S133 L134 L309P37-Y130 WeakPolarHBondContact CG-OH 3.07Å; N127-Y130 PolarHBondContact O-N 2.92Å; N127-Y130 PolarHBondContact OD1-N 3.26Å; P128-Y130 VanDerWaalsContact C-N 3.31Å; P128-Y130 PolarHBondContact O-N 2.81Å; Y130-Q132 VanDerWaalsContact C-N 3.3Å; Y130-Q132 PolarHBondContact O-N 3.36Å; Y130-S133 PolarHBondContact O-N 2.98Å; Y130-S133 VanDerWaalsContact O-N 3.09Å; Y130-S133 PolarHBondContact O-OG 2.76Å; Y130-L134 HydrophobicContact CE1-CD1 4.16Å; Y130-L134 HydrophobicContact CE2-CD2 4.27Å; Y130-L134 PolarHBondContact O-N 3.45Å; Y130-L309 HydrophobicContact CD1-CD2 3.88Å; Y130-L309 HydrophobicContact CE1-CD2 3.61Å
131L92.8Very high93.7Very high21 Ų2156.1 Ų56.111%0.1129%0.288CS..Hα-helixtrans-59.3-41.1-178.3-68.2-179.8000112.2D91 N127 P128 S133 L134 C140D91-L131 HydrophobicContact CB-CD1 4.08Å; N127-L131 VanDerWaalsContact O-CG 3.3Å; N127-L131 WeakPolarHBondContact O-CG 3.32Å; N127-L131 PolarHBondContact O-N 3.05Å; P128-L131 PolarHBondContact O-N 3.03Å; L131-S133 VanDerWaalsContact C-N 3.34Å; L131-L134 PolarHBondContact O-N 3.18Å; L131-C140 HydrophobicContact CD2-CB 3.39Å
132Q92.3Very high93.7Very high133 Ų13356.1 Ų56.162%0.62129%0.288SS*.Hα-helixtrans-74.5-23.7178.4-67.1172.612.200113D91 P128 Y130 L134D91-Q132 PolarHBondContact OD2-NE2 2.82Å; P128-Q132 VanDerWaalsContact O-CB 3.3Å; P128-Q132 WeakPolarHBondContact O-CB 3.47Å; P128-Q132 WeakPolarHBondContact O-CG 3.5Å; P128-Q132 PolarHBondContact O-N 3.21Å; Y130-Q132 VanDerWaalsContact C-N 3.3Å; Y130-Q132 PolarHBondContact O-N 3.36Å; Q132-L134 VanDerWaalsContact C-N 3.3Å
133S93.9Very high93.8Very high85 Ų8556.1 Ų56.159%0.59429%0.288SS*.Hα-helixtrans-75.3-17.9176.275.90000113.8E129 Y130 L131E129-S133 VanDerWaalsContact O-CB 3.3Å; E129-S133 WeakPolarHBondContact O-CB 3.33Å; E129-S133 PolarHBondContact O-N 3.44Å; E129-S133 PolarHBondContact O-OG 3.36Å; Y130-S133 PolarHBondContact O-N 2.98Å; Y130-S133 VanDerWaalsContact O-N 3.09Å; Y130-S133 PolarHBondContact O-OG 2.76Å; L131-S133 VanDerWaalsContact C-N 3.34Å
134L93.8Very high93.9Very high35 Ų3556.1 Ų56.118%0.18329%0.288CS..SBendtrans-68.3141.5-177.9-69.2172.7000111.3P37 Y130 L131 Q132 C140P37-L134 HydrophobicContact CB-CD1 4.36Å; P37-L134 HydrophobicContact CB-CD2 4.41Å; P37-L134 HydrophobicContact CG-CD1 4.13Å; P37-L134 HydrophobicContact CG-CD2 3.93Å; Y130-L134 HydrophobicContact CE1-CD1 4.16Å; Y130-L134 HydrophobicContact CE2-CD2 4.27Å; Y130-L134 PolarHBondContact O-N 3.45Å; L131-L134 PolarHBondContact O-N 3.18Å; Q132-L134 VanDerWaalsContact C-N 3.3Å; L134-C140 HydrophobicContact CD1-CB 3.63Å
135P94.9Very high94Very high77 Ų7756.2 Ų56.250%0.529%0.289SS..  trans-59.7146.9170.6-16.127.4000110.5D137 F138P135-D137 PolarHBondContact O-N 3.46Å; P135-F138 HydrophobicContact CB-CD2 3.92Å; P135-F138 HydrophobicContact CB-CE2 4.38Å; P135-F138 HydrophobicContact CG-CD2 3.89Å; P135-F138 HydrophobicContact CG-CE2 4.17Å; P135-F138 PolarHBondContact O-N 3.26Å
136K92.4Very high94.3Very high213 Ų21353 Ų5393%0.92627%0.272SS*.THydrogen-bonded Turntrans-57.3-22-172.8-64.9-176.8179.3179.70115.1F138K136-F138 VanDerWaalsContact C-N 3.3Å
137D95.9Very high94.6Very high73 Ų7357.4 Ų57.439%0.3929%0.29SS..THydrogen-bonded Turntrans-80.9-9.8178.5-65.9-49.2000113Y39 Q40 P135Y39-D137 HydrophobicContact CD2-CB 4.05Å; Y39-D137 HydrophobicContact CE2-CB 3.74Å; Q40-D137 WeakPolarHBondContact CA-O 3.43Å; Q40-D137 HydrophobicContact CG-CB 4.34Å; Q40-D137 PolarHBondContact N-O 3.14Å; P135-D137 PolarHBondContact O-N 3.46Å
138F96.3Very high94.7Very high70 Ų7055.9 Ų55.931%0.30729%0.293SS..EExtended strand (participates in β ladder)trans-99134.2179.6-72.5-87.8000111.9P37 Y39 P135 K136P37-F138 HydrophobicContact CB-CB 3.98Å; P37-F138 HydrophobicContact CB-CD1 3.87Å; P37-F138 HydrophobicContact CB-CG 4.3Å; Y39-F138 HydrophobicContact CD2-CD2 4.38Å; Y39-F138 HydrophobicContact CD2-CE1 4.01Å; Y39-F138 AromaticContact CD2-CE2 3.86Å; Y39-F138 HydrophobicContact CD2-CE2 3.86Å; Y39-F138 AromaticContact CD2-CZ 3.66Å; Y39-F138 HydrophobicContact CD2-CZ 3.66Å; Y39-F138 HydrophobicContact CE2-CE2 4.45Å; Y39-F138 HydrophobicContact CG-CE1 4.3Å; Y39-F138 HydrophobicContact CG-CZ 4.28Å; P135-F138 HydrophobicContact CB-CD2 3.92Å; P135-F138 HydrophobicContact CB-CE2 4.38Å; P135-F138 HydrophobicContact CG-CD2 3.89Å; P135-F138 HydrophobicContact CG-CE2 4.17Å; P135-F138 PolarHBondContact O-N 3.26Å; K136-F138 VanDerWaalsContact C-N 3.3Å
139T96.9Very high94.7Very high25 Ų2555.8 Ų55.815%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-108.8125.1169.6-60.50000109.8P37 L38 F41 P93 L141P37-T139 WeakPolarHBondContact CA-O 3.5Å; L38-T139 WeakPolarHBondContact CD1-O 2.98Å; L38-T139 PolarHBondContact N-O 2.73Å; L38-T139 PolarHBondContact O-N 3.41Å; F41-T139 HydrophobicContact CD1-CG2 4.03Å; F41-T139 PolarHBondContact O-OG1 2.88Å; F41-T139 VanDerWaalsContact O-OG1 3.08Å; P93-T139 HydrophobicContact CB-CG2 3.93Å; P93-T139 HydrophobicContact CG-CG2 4.11Å; T139-L141 HydrophobicContact CG2-CD1 4.17Å; T139-L141 HydrophobicContact CG2-CG 4.16Å
140C96.6Very high94.7Very high2 Ų256 Ų561%0.01430%0.298CS..  trans-90.6110.1178.6-1670000111.5P93 C123 L131 L134P93-C140 WeakPolarHBondContact CG-O 3.43Å; C123-C140 VanDerWaalsContact CB-O 3.32Å; C123-C140 WeakPolarHBondContact CB-O 3.19Å; L131-C140 HydrophobicContact CD2-CB 3.39Å; L134-C140 HydrophobicContact CD1-CB 3.63Å
141L97.3Very high94.7Very high0 Ų055 Ų550%031%0.309CS..  trans-129.267.2172.1-71.2166000109.2V35 L38 F41 P93 V96 L121 S122 C123 T139 L143V35-L141 WeakPolarHBondContact CG1-O 3.37Å; L38-L141 HydrophobicContact CD1-CB 3.96Å; L38-L141 HydrophobicContact CD1-CD1 4.45Å; F41-L141 HydrophobicContact CD1-CD1 4.42Å; F41-L141 HydrophobicContact CE1-CD1 4.05Å; P93-L141 HydrophobicContact CB-CD2 3.96Å; P93-L141 HydrophobicContact CB-CG 4.41Å; V96-L141 HydrophobicContact CG2-CD1 4.32Å; L121-L141 HydrophobicContact CB-CB 3.93Å; L121-L141 HydrophobicContact CB-CD1 3.95Å; L121-L141 HydrophobicContact CB-CG 4.44Å; S122-L141 CarbonylContact O-C 3.58Å; C123-L141 HydrophobicContact CB-CD2 4.31Å; T139-L141 HydrophobicContact CG2-CD1 4.17Å; T139-L141 HydrophobicContact CG2-CG 4.16Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 2.8Å; L141-L143 VanDerWaalsContact O-N 3.17Å
142P96.9Very high94.7Very high0 Ų054.6 Ų54.60%031%0.307CS..  trans-64.5-28.1-159.229.6-39000114.1Y34 V35 S122 C123 T305 A308 L309 M312Y34-P142 CarbonylContact C-O 3.59Å; Y34-P142 VanDerWaalsContact CA-O 3.27Å; Y34-P142 WeakPolarHBondContact CA-O 3.45Å; V35-P142 PolarHBondContact N-O 3.08Å; V35-P142 WeakPolarHBondContact O-CA 3.29Å; S122-P142 WeakPolarHBondContact O-CD 3.41Å; C123-P142 HydrophobicContact CB-CG 4.3Å; P142-T305 HydrophobicContact CG-CG2 3.8Å; P142-A308 HydrophobicContact CB-CB 4.01Å; P142-A308 WeakPolarHBondContact O-CB 3.49Å; P142-L309 HydrophobicContact CB-CD2 3.76Å; P142-L309 HydrophobicContact CB-CG 3.97Å; P142-L309 HydrophobicContact CG-CD2 3.96Å; P142-L309 HydrophobicContact CG-CG 3.97Å; P142-M312 HydrophobicContact CB-CE 3.02Å; P142-M312 HydrophobicContact CG-CE 4.46Å
143L97.3Very high94.9Very high1 Ų148.9 Ų48.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-93.8116.5-176.318063000110.2L32 L121 S122 L141 L171 L304 A308L32-L143 HydrophobicContact CD2-CD1 4.16Å; L121-L143 WeakPolarHBondContact CA-O 3.42Å; S122-L143 PolarHBondContact N-O 2.02Å; S122-L143 WeakPolarHBondContact O-CB 3.31Å; S122-L143 PolarHBondContact O-N 2.8Å; L141-L143 VanDerWaalsContact C-N 3.27Å; L141-L143 PolarHBondContact O-N 2.8Å; L141-L143 VanDerWaalsContact O-N 3.17Å; L143-L171 HydrophobicContact CD1-CD2 3.64Å; L143-L304 HydrophobicContact CD1-CB 3.83Å; L143-L304 HydrophobicContact CD2-CB 3.6Å; L143-L304 HydrophobicContact CD2-CD1 4.25Å; L143-L304 HydrophobicContact CG-CB 4.36Å; L143-A308 HydrophobicContact CB-CB 4.44Å
144F97.6Very high95Very high0 Ų047.7 Ų47.70%027%0.274CS..EExtended strand (participates in β ladder)trans-109.2121.4170.7-175.9-107.4000111.5L32 S33 W117 W120 L121 K157 L160 F168L32-F144 CarbonylContact C-O 3.37Å; S33-F144 PolarHBondContact N-O 2.89Å; S33-F144 WeakPolarHBondContact O-CA 3.19Å; S33-F144 PolarHBondContact O-N 3.49Å; S33-F144 VanDerWaalsContact O-O 3.09Å; W117-F144 HydrophobicContact CH2-CE2 4.35Å; W117-F144 AromaticContact CH2-CZ 3.85Å; W117-F144 HydrophobicContact CH2-CZ 3.85Å; W117-F144 HydrophobicContact CZ2-CE1 4.49Å; W117-F144 AromaticContact CZ2-CZ 3.79Å; W117-F144 HydrophobicContact CZ2-CZ 3.79Å; W120-F144 VanDerWaalsContact O-CA 3.29Å; W120-F144 WeakPolarHBondContact O-CA 3.41Å; W120-F144 VanDerWaalsContact O-CD2 3.28Å; W120-F144 WeakPolarHBondContact O-CD2 3.43Å; L121-F144 HydrophobicContact CD2-CB 4.23Å; L121-F144 HydrophobicContact CD2-CD2 3.59Å; L121-F144 HydrophobicContact CD2-CE2 4.42Å; L121-F144 HydrophobicContact CD2-CG 4.35Å; L121-F144 HydrophobicContact CG-CD2 3.91Å; L121-F144 HydrophobicContact CG-CE2 4.42Å; F144-K157 HydrophobicContact CE1-CD 4.43Å; F144-K157 HydrophobicContact CE1-CG 4.06Å; F144-K157 HydrophobicContact CZ-CG 4.49Å; F144-L160 HydrophobicContact CE2-CD1 4.32Å; F144-F168 HydrophobicContact CB-CD1 4.22Å; F144-F168 HydrophobicContact CB-CE1 3.85Å; F144-F168 HydrophobicContact CD1-CD1 4.1Å; F144-F168 AromaticContact CD1-CE1 3.86Å; F144-F168 HydrophobicContact CD1-CE1 3.86Å; F144-F168 AromaticContact CD2-CE1 3.95Å; F144-F168 HydrophobicContact CD2-CE1 3.95Å; F144-F168 HydrophobicContact CE1-CE1 4.34Å; F144-F168 HydrophobicContact CE2-CE1 4.42Å; F144-F168 HydrophobicContact CG-CD1 4.18Å; F144-F168 AromaticContact CG-CE1 3.62Å; F144-F168 HydrophobicContact CG-CE1 3.62Å
145C96Very high95.2Very high3 Ų347.6 Ų47.62%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-111.6135.7174.7-65.70000108.8W30 Q31 L32 G119 W120W30-C145 HydrophobicContact CB-CB 4.16Å; W30-C145 HydrophobicContact CD2-CB 4.15Å; W30-C145 HydrophobicContact CE3-CB 3.96Å; W30-C145 HydrophobicContact CG-CB 4.24Å; Q31-C145 CarbonylContact O-C 3.6Å; Q31-C145 WeakPolarHBondContact O-CA 3.3Å; L32-C145 WeakPolarHBondContact CD2-SG 3.5Å; G119-C145 CarbonylContact C-O 3.56Å; G119-C145 WeakPolarHBondContact CA-O 3.49Å; W120-C145 HydrophobicContact CB-CB 4.35Å; W120-C145 PolarHBondContact N-O 3.47Å; W120-C145 PolarHBondContact O-N 2.69Å
146S96.8Very high95.3Very high5 Ų543.9 Ų43.94%0.03525%0.249CC..EExtended strand (participates in β ladder)trans-138149177.858.90000113.3Q31 S118Q31-S146 PolarHBondContact N-O 3.18Å; Q31-S146 PolarHBondContact O-N 3.42Å; Q31-S146 PolarHBondContact O-OG 2.85Å; S118-S146 CarbonylContact O-C 3.51Å; S118-S146 WeakPolarHBondContact O-CA 3.36Å
147K95.8Very high95.6Very high97 Ų9735.9 Ų35.942%0.42221%0.214SC..EExtended strand (participates in β ladder)trans-144.1125.4176.7-176.3-145.2-159.6156.80109.2T28 W30 W117 S118T28-K147 HydrophobicContact CG2-CB 4.12Å; T28-K147 HydrophobicContact CG2-CD 3.44Å; T28-K147 VanDerWaalsContact CG2-CD 3.44Å; T28-K147 HydrophobicContact CG2-CG 3.88Å; T28-K147 PolarHBondContact OG1-NZ 2.66Å; T28-K147 VanDerWaalsContact OG1-NZ 3.07Å; W30-K147 HydrophobicContact CE3-CB 3.79Å; W30-K147 HydrophobicContact CH2-CB 4.23Å; W30-K147 HydrophobicContact CZ3-CB 3.6Å; W117-K147 CarbonylContact C-O 3.56Å; W117-K147 WeakPolarHBondContact CA-O 3.33Å; S118-K147 PolarHBondContact N-O 3.45Å; S118-K147 PolarHBondContact O-N 3.3Å
148G92.9Very high95.7Very high44 Ų4434.3 Ų34.345%0.45421%0.209SC..EExtended strand (participates in β ladder)trans145.5-166.317700000110.7
149A89.6Confident95.8Very high58 Ų5831.5 Ų31.548%0.47920%0.196SC..  trans-61.5139.7177.100000111.4G151 L152 S153A149-G151 VanDerWaalsContact C-N 3.33Å; A149-G151 PolarHBondContact O-N 2.69Å; A149-L152 PolarHBondContact O-N 2.74Å; A149-S153 PolarHBondContact O-N 3.41Å; A149-S153 PolarHBondContact O-OG 3.43Å; A149-S153 VanDerWaalsContact O-OG 3.09Å
150E90.6Very high95.8Very high162 Ų16230.3 Ų30.376%0.75719%0.189SC*.Hα-helixtrans-59.2-43.3-179.8-173.6172.4-170.100111.6L152 S153 S154E150-L152 VanDerWaalsContact C-N 3.31Å; E150-L152 PolarHBondContact O-N 2.87Å; E150-S153 CarbonylContact O-C 3.58Å; E150-S153 WeakPolarHBondContact O-CA 3.48Å; E150-S153 VanDerWaalsContact O-CB 3.31Å; E150-S153 WeakPolarHBondContact O-CB 3.23Å; E150-S153 PolarHBondContact O-N 3.2Å; E150-S154 PolarHBondContact O-N 3.28Å; E150-S154 PolarHBondContact O-OG 3.49Å
151G91.9Very high95.9Very high50 Ų5033.6 Ų33.652%0.51520%0.204SC..Hα-helixtrans-57.1-39.7176.300000113.8A149 S154 L155A149-G151 VanDerWaalsContact C-N 3.33Å; A149-G151 PolarHBondContact O-N 2.69Å; G151-S154 PolarHBondContact O-N 3.18Å; G151-L155 WeakPolarHBondContact O-CG 3.2Å; G151-L155 PolarHBondContact O-N 3.02Å
152L94.1Very high96Very high13 Ų1341.8 Ų41.87%0.06824%0.235CC..Hα-helixtrans-69.1-38173.9-76.8176.2000111.7I57 V116 W117 A149 E150 S154 L155 V156I57-L152 HydrophobicContact CG2-CD2 4.29Å; V116-L152 HydrophobicContact CB-CD1 4.45Å; V116-L152 HydrophobicContact CG2-CD1 3.85Å; W117-L152 HydrophobicContact CB-CB 4.25Å; W117-L152 HydrophobicContact CB-CD1 3.91Å; W117-L152 HydrophobicContact CG-CB 4.14Å; A149-L152 PolarHBondContact O-N 2.74Å; E150-L152 VanDerWaalsContact C-N 3.31Å; E150-L152 PolarHBondContact O-N 2.87Å; L152-S154 VanDerWaalsContact C-N 3.33Å; L152-S154 PolarHBondContact O-N 3.4Å; L152-L155 HydrophobicContact CD2-CD1 4.47Å; L152-L155 PolarHBondContact O-N 3.09Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.24Å; L152-V156 PolarHBondContact O-N 2.84Å
153S96.1Very high96Very high14 Ų1444.2 Ų44.210%0.09825%0.25CS..Hα-helixtrans-61-44.1175.8-52.10000111.2W117 A149 E150 V156 K157W117-S153 PolarHBondContact NE1-OG 3.12Å; A149-S153 PolarHBondContact O-N 3.41Å; A149-S153 PolarHBondContact O-OG 3.43Å; A149-S153 VanDerWaalsContact O-OG 3.09Å; E150-S153 CarbonylContact O-C 3.58Å; E150-S153 WeakPolarHBondContact O-CA 3.48Å; E150-S153 VanDerWaalsContact O-CB 3.31Å; E150-S153 WeakPolarHBondContact O-CB 3.23Å; E150-S153 PolarHBondContact O-N 3.2Å; S153-V156 PolarHBondContact O-N 3.07Å; S153-K157 WeakPolarHBondContact O-CB 2.97Å; S153-K157 VanDerWaalsContact O-CG 3.31Å; S153-K157 WeakPolarHBondContact O-CG 3.43Å; S153-K157 PolarHBondContact O-N 3.12Å
154S96.1Very high96.1Very high60 Ų6044.4 Ų44.442%0.4225%0.251SS..Hα-helixtrans-64.7-40.5177-59.40000112.4E150 G151 L152 S158E150-S154 PolarHBondContact O-N 3.28Å; E150-S154 PolarHBondContact O-OG 3.49Å; G151-S154 PolarHBondContact O-N 3.18Å; L152-S154 VanDerWaalsContact C-N 3.33Å; L152-S154 PolarHBondContact O-N 3.4Å; S154-S158 VanDerWaalsContact O-CB 3.29Å; S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 2.98Å; S154-S158 PolarHBondContact O-OG 3.24Å
155L96.6Very high96.1Very high32 Ų3250.5 Ų50.517%0.16828%0.284CS..Hα-helixtrans-64.3-46.6175.4-73.5173000112.1F56 E60 G151 L152 S158 W159F56-L155 HydrophobicContact CE1-CD2 4.25Å; F56-L155 WeakPolarHBondContact CE1-O 2.89Å; E60-L155 HydrophobicContact CB-CD2 3.65Å; E60-L155 HydrophobicContact CG-CD2 3.9Å; G151-L155 WeakPolarHBondContact O-CG 3.2Å; G151-L155 PolarHBondContact O-N 3.02Å; L152-L155 HydrophobicContact CD2-CD1 4.47Å; L152-L155 PolarHBondContact O-N 3.09Å; L155-S158 PolarHBondContact O-N 3.12Å; L155-W159 WeakPolarHBondContact O-CB 3.48Å; L155-W159 PolarHBondContact O-N 2.8Å
156V97.9Very high96.1Very high0 Ų050.6 Ų50.60%028%0.284CS..Hα-helixtrans-62.6-45.4178.6172.80000110.8L53 I57 V100 W117 L152 S153 W159 L160L53-V156 HydrophobicContact CD1-CG2 4.37Å; L53-V156 HydrophobicContact CD2-CG1 4.22Å; L53-V156 HydrophobicContact CD2-CG2 4.12Å; I57-V156 HydrophobicContact CD1-CG2 4.49Å; V100-V156 HydrophobicContact CG2-CG2 4.36Å; W117-V156 HydrophobicContact CD2-CG2 4.44Å; W117-V156 HydrophobicContact CE3-CG2 4.28Å; W117-V156 HydrophobicContact CH2-CB 4.08Å; W117-V156 HydrophobicContact CH2-CG1 3.61Å; W117-V156 HydrophobicContact CH2-CG2 4.1Å; W117-V156 HydrophobicContact CZ2-CB 4.15Å; W117-V156 HydrophobicContact CZ2-CG1 4.11Å; W117-V156 HydrophobicContact CZ2-CG2 4.26Å; W117-V156 HydrophobicContact CZ3-CG1 4.15Å; W117-V156 HydrophobicContact CZ3-CG2 4.1Å; L152-V156 VanDerWaalsContact O-CG2 3.31Å; L152-V156 WeakPolarHBondContact O-CG2 3.24Å; L152-V156 PolarHBondContact O-N 2.84Å; S153-V156 PolarHBondContact O-N 3.07Å; V156-W159 PolarHBondContact O-N 3.11Å; V156-L160 HydrophobicContact CG1-CD1 3.97Å; V156-L160 HydrophobicContact CG1-CG 4.5Å; V156-L160 WeakPolarHBondContact O-CG 3.47Å; V156-L160 PolarHBondContact O-N 3.49Å
157K98.1Very high96.1Very high44 Ų4453.5 Ų53.519%0.19130%0.303CS..Hα-helixtrans-59.5-50.4174.9-73178.5178.6-173.40111S33 F144 S153 W159 L160 Q161 F168S33-K157 PolarHBondContact OG-NZ 3.06Å; F144-K157 HydrophobicContact CE1-CD 4.43Å; F144-K157 HydrophobicContact CE1-CG 4.06Å; F144-K157 HydrophobicContact CZ-CG 4.49Å; S153-K157 WeakPolarHBondContact O-CB 2.97Å; S153-K157 VanDerWaalsContact O-CG 3.31Å; S153-K157 WeakPolarHBondContact O-CG 3.43Å; S153-K157 PolarHBondContact O-N 3.12Å; K157-W159 VanDerWaalsContact C-N 3.27Å; K157-W159 PolarHBondContact O-N 3.23Å; K157-L160 WeakPolarHBondContact O-CB 3.32Å; K157-L160 PolarHBondContact O-N 2.89Å; K157-Q161 VanDerWaalsContact O-CG 3.27Å; K157-Q161 WeakPolarHBondContact O-CG 3.36Å; K157-Q161 PolarHBondContact O-N 2.83Å; K157-F168 HydrophobicContact CB-CD2 4.11Å; K157-F168 HydrophobicContact CB-CE2 4.33Å; K157-F168 HydrophobicContact CB-CG 4.36Å; K157-F168 HydrophobicContact CD-CB 4.26Å; K157-F168 HydrophobicContact CD-CD1 4.23Å; K157-F168 HydrophobicContact CD-CG 4.15Å; K157-F168 HydrophobicContact CG-CD1 4.03Å; K157-F168 HydrophobicContact CG-CD2 4.21Å; K157-F168 HydrophobicContact CG-CE1 4.21Å; K157-F168 HydrophobicContact CG-CE2 4.41Å; K157-F168 HydrophobicContact CG-CG 4.03Å; K157-F168 HydrophobicContact CG-CZ 4.42Å
158S97.8Very high96.2Very high40 Ų4050.2 Ų50.228%0.2829%0.289SS..Hα-helixtrans-57.2-41179.5-60.30000112.3S154 L155 Q161 R162S154-S158 VanDerWaalsContact O-CB 3.29Å; S154-S158 WeakPolarHBondContact O-CB 3.31Å; S154-S158 PolarHBondContact O-N 2.98Å; S154-S158 PolarHBondContact O-OG 3.24Å; L155-S158 PolarHBondContact O-N 3.12Å; S158-Q161 PolarHBondContact O-N 2.99Å; S158-R162 WeakPolarHBondContact O-CB 3.35Å; S158-R162 VanDerWaalsContact O-CG 3.31Å; S158-R162 WeakPolarHBondContact O-CG 3.14Å; S158-R162 PolarHBondContact O-N 2.87Å
159W98.3Very high96.3Very high11 Ų1148.5 Ų48.54%0.04227%0.272CS..Hα-helixtrans-64.5-45.7175.3-179.477.8000112.1Y49 Q52 L53 F56 F80 L155 V156 K157 Q161 R162 T163 F164Y49-W159 HydrophobicContact CD1-CH2 4.34Å; Y49-W159 HydrophobicContact CG-CH2 4.17Å; Q52-W159 HydrophobicContact CB-CZ2 3.73Å; L53-W159 HydrophobicContact CB-CD2 3.88Å; L53-W159 HydrophobicContact CB-CE3 4.02Å; L53-W159 HydrophobicContact CB-CG 4.42Å; L53-W159 HydrophobicContact CB-CH2 4.44Å; L53-W159 HydrophobicContact CB-CZ2 4.27Å; L53-W159 HydrophobicContact CB-CZ3 4.29Å; L53-W159 HydrophobicContact CD1-CB 3.56Å; L53-W159 HydrophobicContact CD1-CD2 3.64Å; L53-W159 HydrophobicContact CD1-CE3 3.87Å; L53-W159 HydrophobicContact CD1-CG 3.49Å; L53-W159 VanDerWaalsContact CD1-CG 3.49Å; L53-W159 HydrophobicContact CD2-CE3 4.19Å; L53-W159 HydrophobicContact CG-CD2 4.24Å; L53-W159 HydrophobicContact CG-CE3 4.24Å; F56-W159 HydrophobicContact CB-CG 4.35Å; F56-W159 HydrophobicContact CD1-CB 3.65Å; F56-W159 AromaticContact CD1-CD1 3.86Å; F56-W159 HydrophobicContact CD1-CG 4.05Å; F56-W159 AromaticContact CD2-CD1 3.81Å; F56-W159 HydrophobicContact CE1-CB 3.76Å; F56-W159 HydrophobicContact CG-CB 4.16Å; F56-W159 AromaticContact CG-CD1 3.44Å; F56-W159 VanDerWaalsContact CG-CD1 3.44Å; F56-W159 HydrophobicContact CG-CG 4.1Å; F56-W159 HydrophobicContact CZ-CB 4.37Å; F80-W159 HydrophobicContact CE1-CZ3 4.48Å; F80-W159 HydrophobicContact CZ-CH2 4.29Å; F80-W159 AromaticContact CZ-CZ3 3.76Å; F80-W159 HydrophobicContact CZ-CZ3 3.76Å; L155-W159 WeakPolarHBondContact O-CB 3.48Å; L155-W159 PolarHBondContact O-N 2.8Å; V156-W159 PolarHBondContact O-N 3.11Å; K157-W159 VanDerWaalsContact C-N 3.27Å; K157-W159 PolarHBondContact O-N 3.23Å; W159-Q161 VanDerWaalsContact C-N 3.34Å; W159-Q161 PolarHBondContact O-N 2.83Å; W159-R162 PolarHBondContact O-N 2.86Å; W159-T163 VanDerWaalsContact CE2-OG1 3.28Å; W159-T163 HydrophobicContact CH2-CG2 4.14Å; W159-T163 HydrophobicContact CZ2-CG2 3.88Å; W159-T163 PolarHBondContact NE1-OG1 2.79Å; W159-T163 WeakPolarHBondContact O-CB 3.36Å; W159-T163 PolarHBondContact O-N 2.87Å; W159-T163 PolarHBondContact O-OG1 2.82Å; W159-F164 AromaticContact CH2-CE2 3.84Å; W159-F164 HydrophobicContact CH2-CE2 3.84Å; W159-F164 HydrophobicContact CH2-CZ 4.09Å; W159-F164 AromaticContact CZ3-CE2 3.76Å; W159-F164 HydrophobicContact CZ3-CE2 3.76Å; W159-F164 HydrophobicContact CZ3-CZ 4.45Å
160L98.5Very high96.6Very high0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-59-45.7176.7-72.3167.8000111I98 L121 F144 V156 K157 T163 F164 F168I98-L160 HydrophobicContact CD1-CD1 4.33Å; L121-L160 HydrophobicContact CD1-CD1 4.48Å; L121-L160 HydrophobicContact CD1-CD2 4.48Å; F144-L160 HydrophobicContact CE2-CD1 4.32Å; V156-L160 HydrophobicContact CG1-CD1 3.97Å; V156-L160 HydrophobicContact CG1-CG 4.5Å; V156-L160 WeakPolarHBondContact O-CG 3.47Å; V156-L160 PolarHBondContact O-N 3.49Å; K157-L160 WeakPolarHBondContact O-CB 3.32Å; K157-L160 PolarHBondContact O-N 2.89Å; L160-T163 PolarHBondContact O-N 2.92Å; L160-F164 HydrophobicContact CD2-CD2 3.77Å; L160-F164 HydrophobicContact CD2-CE2 3.69Å; L160-F164 PolarHBondContact O-N 3.5Å; L160-F168 HydrophobicContact CB-CE2 3.75Å; L160-F168 HydrophobicContact CB-CZ 3.91Å; L160-F168 HydrophobicContact CD1-CE1 4.46Å; L160-F168 HydrophobicContact CD1-CE2 4.26Å; L160-F168 HydrophobicContact CD1-CZ 3.58Å; L160-F168 HydrophobicContact CG-CZ 4.36Å
161Q98.3Very high96.7Very high71 Ų7142.3 Ų42.333%0.33224%0.24SC..Hα-helixtrans-60.7-47.1178.3-63.7-179.5-88.300111.8K157 S158 W159 T163 D165 C166 F168K157-Q161 VanDerWaalsContact O-CG 3.27Å; K157-Q161 WeakPolarHBondContact O-CG 3.36Å; K157-Q161 PolarHBondContact O-N 2.83Å; S158-Q161 PolarHBondContact O-N 2.99Å; W159-Q161 VanDerWaalsContact C-N 3.34Å; W159-Q161 PolarHBondContact O-N 2.83Å; Q161-T163 VanDerWaalsContact C-N 3.33Å; Q161-T163 PolarHBondContact O-N 2.85Å; Q161-D165 VanDerWaalsContact O-CA 3.31Å; Q161-D165 WeakPolarHBondContact O-CA 3.31Å; Q161-D165 PolarHBondContact O-N 2.82Å; Q161-C166 WeakPolarHBondContact CA-O 3.49Å; Q161-C166 VanDerWaalsContact CB-O 3.31Å; Q161-C166 WeakPolarHBondContact CB-O 3.38Å; Q161-C166 WeakPolarHBondContact CG-O 3.44Å; Q161-F168 HydrophobicContact CG-CD2 3.59Å; Q161-F168 HydrophobicContact CG-CE2 3.89Å
162R98.1Very high96.6Very high172 Ų17243.5 Ų43.565%0.64924%0.235SC*.Hα-helixtrans-67.8-31.9178.7-69.7176.5-173.8172.55.7113F56 E60 S158 W159F56-R162 VanDerWaalsContact CE2-NH1 3.34Å; E60-R162 IonicContact OE1-NH1 3.09Å; E60-R162 PolarHBondContact OE1-NH1 3.25Å; E60-R162 VanDerWaalsContact OE1-NH1 3.09Å; S158-R162 WeakPolarHBondContact O-CB 3.35Å; S158-R162 VanDerWaalsContact O-CG 3.31Å; S158-R162 WeakPolarHBondContact O-CG 3.14Å; S158-R162 PolarHBondContact O-N 2.87Å; W159-R162 PolarHBondContact O-N 2.86Å
163T98.4Very high96.4Very high52 Ų5243.1 Ų43.132%0.31923%0.233SC..Hα-helixtrans-87-34.5-173.5-54.20000112.4W159 L160 Q161W159-T163 VanDerWaalsContact CE2-OG1 3.28Å; W159-T163 HydrophobicContact CH2-CG2 4.14Å; W159-T163 HydrophobicContact CZ2-CG2 3.88Å; W159-T163 PolarHBondContact NE1-OG1 2.79Å; W159-T163 WeakPolarHBondContact O-CB 3.36Å; W159-T163 PolarHBondContact O-N 2.87Å; W159-T163 PolarHBondContact O-OG1 2.82Å; L160-T163 PolarHBondContact O-N 2.92Å; Q161-T163 VanDerWaalsContact C-N 3.33Å; Q161-T163 PolarHBondContact O-N 2.85Å
164F98.4Very high96.1Very high5 Ų544.8 Ų44.82%0.02224%0.241CC..Hα-helixtrans-123.115.4-171.5-55.6-64.9000113.6L38 Y39 F41 Y49 W159 L160 C166L38-F164 HydrophobicContact CB-CB 3.92Å; L38-F164 HydrophobicContact CB-CG 4.38Å; L38-F164 HydrophobicContact CD2-CB 4.19Å; L38-F164 HydrophobicContact CD2-CD2 3.99Å; L38-F164 HydrophobicContact CD2-CG 4.2Å; L38-F164 HydrophobicContact CG-CB 4.47Å; Y39-F164 VanDerWaalsContact CB-O 3.3Å; Y39-F164 WeakPolarHBondContact CB-O 3.47Å; Y39-F164 PolarHBondContact N-O 3.14Å; Y39-F164 WeakPolarHBondContact O-CD1 3.39Å; F41-F164 HydrophobicContact CB-CD1 3.91Å; F41-F164 HydrophobicContact CB-CE1 4.08Å; F41-F164 HydrophobicContact CB-CG 4.43Å; F41-F164 HydrophobicContact CD2-CD1 4.16Å; F41-F164 HydrophobicContact CD2-CD2 4.29Å; F41-F164 AromaticContact CD2-CE1 3.74Å; F41-F164 HydrophobicContact CD2-CE1 3.74Å; F41-F164 AromaticContact CD2-CE2 3.88Å; F41-F164 HydrophobicContact CD2-CE2 3.88Å; F41-F164 HydrophobicContact CD2-CG 4.42Å; F41-F164 AromaticContact CD2-CZ 3.59Å; F41-F164 HydrophobicContact CD2-CZ 3.59Å; F41-F164 HydrophobicContact CE2-CE2 4.4Å; F41-F164 HydrophobicContact CE2-CZ 4.19Å; F41-F164 HydrophobicContact CG-CE1 4.38Å; Y49-F164 HydrophobicContact CD1-CE1 4.4Å; Y49-F164 AromaticContact CD1-CZ 3.84Å; Y49-F164 HydrophobicContact CD1-CZ 3.84Å; Y49-F164 AromaticContact CD2-CZ 3.92Å; Y49-F164 HydrophobicContact CD2-CZ 3.92Å; Y49-F164 AromaticContact CE1-CE1 3.76Å; Y49-F164 HydrophobicContact CE1-CE1 3.76Å; Y49-F164 AromaticContact CE1-CZ 3.66Å; Y49-F164 HydrophobicContact CE1-CZ 3.66Å; Y49-F164 HydrophobicContact CE2-CE1 4.07Å; Y49-F164 AromaticContact CE2-CZ 3.75Å; Y49-F164 HydrophobicContact CE2-CZ 3.75Å; Y49-F164 AromaticContact CG-CZ 3.99Å; Y49-F164 HydrophobicContact CG-CZ 3.99Å; Y49-F164 AromaticContact CZ-CE1 3.57Å; Y49-F164 AromaticContact CZ-CZ 3.61Å; W159-F164 AromaticContact CH2-CE2 3.84Å; W159-F164 HydrophobicContact CH2-CE2 3.84Å; W159-F164 HydrophobicContact CH2-CZ 4.09Å; W159-F164 AromaticContact CZ3-CE2 3.76Å; W159-F164 HydrophobicContact CZ3-CE2 3.76Å; W159-F164 HydrophobicContact CZ3-CZ 4.45Å; L160-F164 HydrophobicContact CD2-CD2 3.77Å; L160-F164 HydrophobicContact CD2-CE2 3.69Å; L160-F164 PolarHBondContact O-N 3.5Å; F164-C166 PolarHBondContact O-N 2.75Å; F164-C166 VanDerWaalsContact O-N 3.15Å
165D97.4Very high95.8Very high128 Ų12845 Ų4568%0.68424%0.235SC*.THydrogen-bonded Turntrans45.149.6178.5-16324.4000112.9Q161Q161-D165 VanDerWaalsContact O-CA 3.31Å; Q161-D165 WeakPolarHBondContact O-CA 3.31Å; Q161-D165 PolarHBondContact O-N 2.82Å
166C97Very high95.6Very high4 Ų445.2 Ų45.23%0.02724%0.238CC..  trans-117.8166.3-177.8710000111.6V35 T36 L38 Q161 F164V35-C166 HydrophobicContact CG2-CB 4.12Å; T36-C166 WeakPolarHBondContact OG1-CA 3.38Å; L38-C166 HydrophobicContact CG-CB 4.49Å; Q161-C166 WeakPolarHBondContact CA-O 3.49Å; Q161-C166 VanDerWaalsContact CB-O 3.31Å; Q161-C166 WeakPolarHBondContact CB-O 3.38Å; Q161-C166 WeakPolarHBondContact CG-O 3.44Å; F164-C166 PolarHBondContact O-N 2.75Å; F164-C166 VanDerWaalsContact O-N 3.15Å
167C96.7Very high95.3Very high66 Ų6645.4 Ų45.445%0.44624%0.239SC..  trans-123.1141.1178.6-72.40000110.3V35 T36V35-C167 CarbonylContact C-O 3.56Å; V35-C167 VanDerWaalsContact CA-O 3.25Å; V35-C167 WeakPolarHBondContact CA-O 3.03Å; T36-C167 HydrophobicContact CG2-CB 3.98Å; T36-C167 PolarHBondContact N-O 3.28Å; T36-C167 PolarHBondContact OG1-N 3.21Å
168F96.9Very high95.1Very high29 Ų2943.3 Ų43.313%0.12723%0.23CC..EExtended strand (participates in β ladder)trans-110.4148171-69.8-98.8000110.4Y34 V35 F144 K157 L160 Q161Y34-F168 VanDerWaalsContact O-CA 3.31Å; Y34-F168 WeakPolarHBondContact O-CA 3.38Å; V35-F168 HydrophobicContact CB-CD1 3.77Å; V35-F168 HydrophobicContact CB-CE1 3.55Å; V35-F168 HydrophobicContact CB-CG 4.35Å; V35-F168 HydrophobicContact CB-CZ 3.94Å; V35-F168 HydrophobicContact CG1-CE1 4.37Å; V35-F168 HydrophobicContact CG2-CD1 3.96Å; V35-F168 HydrophobicContact CG2-CD2 4.08Å; V35-F168 HydrophobicContact CG2-CE1 3.55Å; V35-F168 HydrophobicContact CG2-CE2 3.67Å; V35-F168 HydrophobicContact CG2-CG 4.21Å; V35-F168 HydrophobicContact CG2-CZ 3.37Å; F144-F168 HydrophobicContact CB-CD1 4.22Å; F144-F168 HydrophobicContact CB-CE1 3.85Å; F144-F168 HydrophobicContact CD1-CD1 4.1Å; F144-F168 AromaticContact CD1-CE1 3.86Å; F144-F168 HydrophobicContact CD1-CE1 3.86Å; F144-F168 AromaticContact CD2-CE1 3.95Å; F144-F168 HydrophobicContact CD2-CE1 3.95Å; F144-F168 HydrophobicContact CE1-CE1 4.34Å; F144-F168 HydrophobicContact CE2-CE1 4.42Å; F144-F168 HydrophobicContact CG-CD1 4.18Å; F144-F168 AromaticContact CG-CE1 3.62Å; F144-F168 HydrophobicContact CG-CE1 3.62Å; K157-F168 HydrophobicContact CB-CD2 4.11Å; K157-F168 HydrophobicContact CB-CE2 4.33Å; K157-F168 HydrophobicContact CB-CG 4.36Å; K157-F168 HydrophobicContact CD-CB 4.26Å; K157-F168 HydrophobicContact CD-CD1 4.23Å; K157-F168 HydrophobicContact CD-CG 4.15Å; K157-F168 HydrophobicContact CG-CD1 4.03Å; K157-F168 HydrophobicContact CG-CD2 4.21Å; K157-F168 HydrophobicContact CG-CE1 4.21Å; K157-F168 HydrophobicContact CG-CE2 4.41Å; K157-F168 HydrophobicContact CG-CG 4.03Å; K157-F168 HydrophobicContact CG-CZ 4.42Å; L160-F168 HydrophobicContact CB-CE2 3.75Å; L160-F168 HydrophobicContact CB-CZ 3.91Å; L160-F168 HydrophobicContact CD1-CE1 4.46Å; L160-F168 HydrophobicContact CD1-CE2 4.26Å; L160-F168 HydrophobicContact CD1-CZ 3.58Å; L160-F168 HydrophobicContact CG-CZ 4.36Å; Q161-F168 HydrophobicContact CG-CD2 3.59Å; Q161-F168 HydrophobicContact CG-CE2 3.89Å
169G95.6Very high94.9Very high8 Ų842.6 Ų42.68%0.08222%0.222CC..EExtended strand (participates in β ladder)trans-144.5165.2164.300000112S33 Y34 L171S33-G169 CarbonylContact C-O 3.54Å; S33-G169 WeakPolarHBondContact CA-O 3.38Å; S33-G169 WeakPolarHBondContact CB-O 3.5Å; Y34-G169 WeakPolarHBondContact CD1-O 3.16Å; Y34-G169 VanDerWaalsContact CZ-CA 3.47Å; Y34-G169 PolarHBondContact N-O 3.37Å; Y34-G169 PolarHBondContact O-N 2.85Å; G169-L171 PolarHBondContact O-N 3.04Å
170P95Very high94.6Very high86 Ų8642.1 Ų42.156%0.55822%0.22SC*.EExtended strand (participates in β ladder)trans-61.5138.9177.627.7-33.8000110
171L94.7Very high94.3Very high3 Ų342.1 Ų42.12%0.01622%0.22CC..  trans-108.184171.9-178.261.1000108.3L32 L143 G169 G287 C307 A308 K311L32-L171 HydrophobicContact CB-CB 3.9Å; L32-L171 HydrophobicContact CB-CD2 4.22Å; L32-L171 HydrophobicContact CB-CG 4.29Å; L32-L171 HydrophobicContact CD1-CD2 4.46Å; L32-L171 PolarHBondContact O-N 2.78Å; L143-L171 HydrophobicContact CD1-CD2 3.64Å; G169-L171 PolarHBondContact O-N 3.04Å; L171-G287 VanDerWaalsContact O-CA 3.23Å; L171-G287 WeakPolarHBondContact O-CA 3.13Å; L171-C307 HydrophobicContact CD1-CB 4.14Å; L171-A308 HydrophobicContact CD2-CB 3.87Å; L171-K311 HydrophobicContact CD1-CB 4.24Å; L171-K311 HydrophobicContact CD1-CG 3.82Å
172D88.9Confident94.1Very high76 Ų7638.8 Ų38.841%0.40621%0.205SC..  trans-68.9136174.8-63-33.2000110.2N174 L285D172-N174 PolarHBondContact O-N 3.26Å; D172-L285 WeakPolarHBondContact CA-O 3.39Å; D172-L285 WeakPolarHBondContact CB-O 3.26Å
173I90Very high93.8Very high4 Ų430.6 Ų30.62%0.02117%0.174CC..  trans-87.291.5175.4-56.7177000106.3L32 T177 L178 L181 A283 K284 L285 I289L32-I173 HydrophobicContact CD1-CD1 3.82Å; L32-I173 HydrophobicContact CD1-CG1 3.9Å; I173-T177 HydrophobicContact CG2-CG2 3.62Å; I173-L178 HydrophobicContact CG2-CD2 3.71Å; I173-L178 HydrophobicContact CG2-CG 3.78Å; I173-L181 HydrophobicContact CG2-CD1 4.21Å; I173-A283 HydrophobicContact CD1-CB 3.81Å; I173-K284 WeakPolarHBondContact CB-O 3.46Å; I173-L285 PolarHBondContact N-O 3.07Å; I173-L285 WeakPolarHBondContact O-CA 3.49Å; I173-L285 WeakPolarHBondContact O-CD1 2.84Å; I173-I289 HydrophobicContact CD1-CB 4.26Å
174N89.3Confident93.3Very high50 Ų5028.9 Ų28.927%0.26716%0.163SC..  trans-61168.6-178.869.830000112.4D172 T176 T177 L178D172-N174 PolarHBondContact O-N 3.26Å; N174-T176 PolarHBondContact O-N 3Å; N174-T176 WeakPolarHBondContact OD1-CA 3.47Å; N174-T176 WeakPolarHBondContact OD1-CB 3.44Å; N174-T176 PolarHBondContact OD1-N 2.83Å; N174-T176 VanDerWaalsContact OD1-N 3.12Å; N174-T177 PolarHBondContact O-N 3.2Å; N174-T177 VanDerWaalsContact O-N 3.07Å; N174-T177 PolarHBondContact OD1-N 2.84Å; N174-T177 PolarHBondContact OD1-OG1 3.4Å; N174-T177 VanDerWaalsContact OD1-OG1 3.11Å; N174-L178 PolarHBondContact O-N 3.45Å
175Q90.4Very high92.8Very high65 Ų6528.9 Ų28.930%0.30416%0.162SC..Hα-helixtrans-55.4-39.7-179.7-178.7167.312.100112.5T177 L178 Q179 L273Q175-T177 PolarHBondContact O-N 2.85Å; Q175-L178 PolarHBondContact O-N 2.61Å; Q175-Q179 VanDerWaalsContact O-CG 3.27Å; Q175-Q179 WeakPolarHBondContact O-CG 3.36Å; Q175-Q179 PolarHBondContact O-N 2.97Å; Q175-L273 HydrophobicContact CG-CB 4.16Å
176T91Very high92.4Very high35 Ų3523 Ų2322%0.21513%0.132CC..Hα-helixtrans-60-46.8176.1-56.40000111.7M1 N174 L178 Q179 W180 F246M1-T176 HydrophobicContact SD-CG2 3.54Å; M1-T176 VanDerWaalsContact SD-CG2 3.54Å; N174-T176 PolarHBondContact O-N 3Å; N174-T176 WeakPolarHBondContact OD1-CA 3.47Å; N174-T176 WeakPolarHBondContact OD1-CB 3.44Å; N174-T176 PolarHBondContact OD1-N 2.83Å; N174-T176 VanDerWaalsContact OD1-N 3.12Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 2.85Å; T176-Q179 WeakPolarHBondContact O-CB 3.47Å; T176-Q179 PolarHBondContact O-N 3.39Å; T176-W180 PolarHBondContact O-N 3.31Å; T176-F246 HydrophobicContact CG2-CD2 4.37Å; T176-F246 HydrophobicContact CG2-CE2 3.57Å; T176-F246 HydrophobicContact CG2-CZ 3.89Å
177T91.7Very high91.8Very high5 Ų525.2 Ų25.23%0.03114%0.143CC..Hα-helixtrans-64.6-36.5177.4-54.80000111.4I173 N174 Q175 W180 L181 L303 C307I173-T177 HydrophobicContact CG2-CG2 3.62Å; N174-T177 PolarHBondContact O-N 3.2Å; N174-T177 VanDerWaalsContact O-N 3.07Å; N174-T177 PolarHBondContact OD1-N 2.84Å; N174-T177 PolarHBondContact OD1-OG1 3.4Å; N174-T177 VanDerWaalsContact OD1-OG1 3.11Å; Q175-T177 PolarHBondContact O-N 2.85Å; T177-W180 WeakPolarHBondContact O-CB 3.35Å; T177-W180 PolarHBondContact O-N 3.21Å; T177-L181 HydrophobicContact CG2-CD1 4.4Å; T177-L181 WeakPolarHBondContact O-CG 3.27Å; T177-L181 PolarHBondContact O-N 2.75Å; T177-L303 HydrophobicContact CG2-CD2 4.09Å; T177-L303 HydrophobicContact CG2-CG 4.3Å; T177-C307 PolarHBondContact OG1-SG 3.26Å
178L94.5Very high90.8Very high0 Ų022.3 Ų22.30%012%0.123CC..Hα-helixtrans-63.7-41.8173.4-71.3173.7000112.2I173 N174 Q175 T176 W180 L181 A182 L273 V276 A283 L285I173-L178 HydrophobicContact CG2-CD2 3.71Å; I173-L178 HydrophobicContact CG2-CG 3.78Å; N174-L178 PolarHBondContact O-N 3.45Å; Q175-L178 PolarHBondContact O-N 2.61Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 2.85Å; L178-W180 VanDerWaalsContact C-N 3.35Å; L178-L181 PolarHBondContact O-N 3.44Å; L178-A182 PolarHBondContact O-N 3.39Å; L178-L273 HydrophobicContact CB-CD2 3.74Å; L178-L273 HydrophobicContact CB-CG 4.16Å; L178-L273 HydrophobicContact CD1-CG 4.19Å; L178-L273 WeakPolarHBondContact CD1-O 3.18Å; L178-V276 HydrophobicContact CB-CG2 4.01Å; L178-V276 HydrophobicContact CD2-CB 4.44Å; L178-V276 HydrophobicContact CD2-CG2 4.26Å; L178-A283 HydrophobicContact CD2-CB 3.78Å; L178-A283 WeakPolarHBondContact CD2-O 3.22Å; L178-L285 HydrophobicContact CD1-CD1 4.31Å
179Q94Very high89.4Confident24 Ų2422.1 Ų22.111%0.11212%0.123CC..Hα-helixtrans-62.4-42.5174.6-67.8174.3-8.700111.7Q175 T176 A182 A183 V249 M253 L273Q175-Q179 VanDerWaalsContact O-CG 3.27Å; Q175-Q179 WeakPolarHBondContact O-CG 3.36Å; Q175-Q179 PolarHBondContact O-N 2.97Å; T176-Q179 WeakPolarHBondContact O-CB 3.47Å; T176-Q179 PolarHBondContact O-N 3.39Å; Q179-A182 WeakPolarHBondContact O-CB 3.41Å; Q179-A182 PolarHBondContact O-N 3.48Å; Q179-A183 PolarHBondContact O-N 3.02Å; Q179-V249 HydrophobicContact CB-CG1 3.89Å; Q179-M253 HydrophobicContact CB-CG 3.81Å; Q179-M253 HydrophobicContact CB-SD 4.3Å; Q179-M253 HydrophobicContact CG-CB 4.5Å; Q179-M253 HydrophobicContact CG-CE 4.12Å; Q179-M253 HydrophobicContact CG-CG 3.71Å; Q179-M253 HydrophobicContact CG-SD 4.21Å; Q179-L273 HydrophobicContact CG-CD2 4.27Å
180W92.4Very high87.7Confident1 Ų128.9 Ų28.90%0.00415%0.154CC..Hα-helixtrans-58.8-48.1172.2-82.2107.4000111.6R5 T176 T177 L178 A182 A183 L184 I244 F246 V249 L303R5-W180 HydrophobicContact CB-CH2 4.42Å; R5-W180 HydrophobicContact CB-CZ3 4.08Å; R5-W180 HydrophobicContact CG-CH2 4.35Å; R5-W180 HydrophobicContact CG-CZ3 4.26Å; R5-W180 VanDerWaalsContact NH1-CD1 3.3Å; T176-W180 PolarHBondContact O-N 3.31Å; T177-W180 WeakPolarHBondContact O-CB 3.35Å; T177-W180 PolarHBondContact O-N 3.21Å; L178-W180 VanDerWaalsContact C-N 3.35Å; W180-A182 VanDerWaalsContact C-N 3.29Å; W180-A182 PolarHBondContact O-N 3.46Å; W180-A183 PolarHBondContact O-N 3.38Å; W180-L184 HydrophobicContact CB-CD1 4.48Å; W180-L184 HydrophobicContact CE3-CG 4.43Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.31Å; W180-L184 WeakPolarHBondContact O-CG 3.14Å; W180-L184 PolarHBondContact O-N 3.25Å; W180-I244 HydrophobicContact CH2-CG2 4.17Å; W180-I244 VanDerWaalsContact CH2-O 3.31Å; W180-I244 WeakPolarHBondContact CH2-O 3.06Å; W180-I244 HydrophobicContact CZ3-CB 4.08Å; W180-I244 HydrophobicContact CZ3-CG2 3.64Å; W180-F246 AromaticContact CE2-CD2 3.63Å; W180-F246 HydrophobicContact CH2-CB 4.5Å; W180-F246 VanDerWaalsContact CZ2-CA 3.44Å; W180-F246 HydrophobicContact CZ2-CB 3.68Å; W180-F246 AromaticContact CZ2-CD2 3.71Å; W180-F246 HydrophobicContact CZ2-CD2 3.71Å; W180-F246 HydrophobicContact CZ2-CG 4.16Å; W180-F246 AromaticContact NE1-CD2 3.28Å; W180-F246 VanDerWaalsContact NE1-CD2 3.28Å; W180-F246 AromaticContact NE1-CE2 3.74Å; W180-V249 HydrophobicContact CD2-CG1 4.39Å; W180-V249 HydrophobicContact CD2-CG2 3.86Å; W180-V249 HydrophobicContact CE3-CG2 3.53Å; W180-V249 HydrophobicContact CH2-CG2 3.7Å; W180-V249 HydrophobicContact CZ2-CG2 4.04Å; W180-V249 HydrophobicContact CZ3-CG2 3.44Å; W180-V249 VanDerWaalsContact CZ3-CG2 3.44Å; W180-L303 HydrophobicContact CB-CD2 4.4Å
181L92.4Very high86Confident1 Ų129.1 Ų29.11%0.00515%0.147CC..Hα-helixtrans-60.8-38.3177.4-72.9169.3000112.3I173 T177 L178 W185 A283 L303I173-L181 HydrophobicContact CG2-CD1 4.21Å; T177-L181 HydrophobicContact CG2-CD1 4.4Å; T177-L181 WeakPolarHBondContact O-CG 3.27Å; T177-L181 PolarHBondContact O-N 2.75Å; L178-L181 PolarHBondContact O-N 3.44Å; L181-W185 HydrophobicContact CB-CH2 4.47Å; L181-W185 HydrophobicContact CB-CZ2 4.45Å; L181-W185 HydrophobicContact CD2-CZ2 3.99Å; L181-W185 WeakPolarHBondContact O-CB 3.45Å; L181-W185 PolarHBondContact O-N 2.92Å; L181-A283 HydrophobicContact CD1-CB 3.38Å; L181-L303 HydrophobicContact CD2-CD2 3.69Å; L181-L303 HydrophobicContact CG-CD2 3.89Å
182A92.9Very high84.4Confident0 Ų030.5 Ų30.50%016%0.156CC..Hα-helixtrans-60.8-51.6174.700000111.6L178 Q179 W180 T186 L197 M253 V276L178-A182 PolarHBondContact O-N 3.39Å; Q179-A182 WeakPolarHBondContact O-CB 3.41Å; Q179-A182 PolarHBondContact O-N 3.48Å; W180-A182 VanDerWaalsContact C-N 3.29Å; W180-A182 PolarHBondContact O-N 3.46Å; A182-T186 WeakPolarHBondContact O-CB 3.5Å; A182-T186 PolarHBondContact O-N 3.32Å; A182-T186 PolarHBondContact O-OG1 2.82Å; A182-T186 VanDerWaalsContact O-OG1 3.12Å; A182-L197 HydrophobicContact CB-CD1 4.43Å; A182-M253 HydrophobicContact CB-SD 3.93Å; A182-V276 HydrophobicContact CB-CG1 3.86Å; A182-V276 HydrophobicContact CB-CG2 4.27Å
183A91.2Very high83.2Confident0 Ų033 Ų330%017%0.17CC..Hα-helixtrans-63.9-46.7179.500000112.4Q179 W180 W185 T186 N187 W224 V249 F252Q179-A183 PolarHBondContact O-N 3.02Å; W180-A183 PolarHBondContact O-N 3.38Å; A183-W185 PolarHBondContact O-N 2.91Å; A183-T186 PolarHBondContact O-N 3Å; A183-N187 PolarHBondContact O-N 2.97Å; A183-W224 HydrophobicContact CB-CE3 4.29Å; A183-W224 HydrophobicContact CB-CH2 3.85Å; A183-W224 HydrophobicContact CB-CZ2 4.46Å; A183-W224 HydrophobicContact CB-CZ3 3.75Å; A183-V249 HydrophobicContact CB-CB 4.38Å; A183-V249 HydrophobicContact CB-CG1 4.08Å; A183-V249 HydrophobicContact CB-CG2 3.84Å; A183-F252 HydrophobicContact CB-CD1 4.08Å; A183-F252 HydrophobicContact CB-CE1 4.44Å
184L87.9Confident82.2Confident17 Ų1733.1 Ų33.19%0.08917%0.17CC..Hα-helixtrans-62.2-44.3179.7-65.8170.6000110.9P8 W180 N187 C188 I244 L303P8-L184 HydrophobicContact CG-CB 3.8Å; P8-L184 HydrophobicContact CG-CD2 3.5Å; P8-L184 HydrophobicContact CG-CG 4.19Å; W180-L184 HydrophobicContact CB-CD1 4.48Å; W180-L184 HydrophobicContact CE3-CG 4.43Å; W180-L184 VanDerWaalsContact O-CB 3.3Å; W180-L184 WeakPolarHBondContact O-CB 3.31Å; W180-L184 WeakPolarHBondContact O-CG 3.14Å; W180-L184 PolarHBondContact O-N 3.25Å; L184-N187 PolarHBondContact O-N 3.23Å; L184-C188 PolarHBondContact O-N 3.2Å; L184-C188 PolarHBondContact O-SG 2.86Å; L184-I244 HydrophobicContact CD2-CD1 3.81Å; L184-L303 HydrophobicContact CD1-CD2 4Å
185W89Confident81.6Confident4 Ų436.9 Ų36.92%0.01519%0.186CC..Hα-helixtrans-67.9-36.3177.5-70-15.8000113L181 A183 N187 C188 I194 V276 L280 A283L181-W185 HydrophobicContact CB-CH2 4.47Å; L181-W185 HydrophobicContact CB-CZ2 4.45Å; L181-W185 HydrophobicContact CD2-CZ2 3.99Å; L181-W185 WeakPolarHBondContact O-CB 3.45Å; L181-W185 PolarHBondContact O-N 2.92Å; A183-W185 PolarHBondContact O-N 2.91Å; W185-N187 VanDerWaalsContact C-N 3.31Å; W185-C188 WeakPolarHBondContact O-CB 3.32Å; W185-C188 PolarHBondContact O-N 3.42Å; W185-I194 WeakPolarHBondContact O-CD1 3.31Å; W185-V276 HydrophobicContact CE3-CG1 3.83Å; W185-V276 HydrophobicContact CZ3-CB 4.2Å; W185-V276 HydrophobicContact CZ3-CG1 3.77Å; W185-L280 HydrophobicContact CB-CD1 3.91Å; W185-L280 HydrophobicContact CD2-CB 4.4Å; W185-L280 HydrophobicContact CG-CB 4.11Å; W185-L280 HydrophobicContact CG-CD1 3.89Å; W185-A283 HydrophobicContact CH2-CB 4.05Å
186T89.1Confident81.6Confident6 Ų639.7 Ų39.74%0.03720%0.197CC..Hα-helixtrans-63.8-38.3172.5-67.10000111.5A182 A183 C188 H189 A220 L221 W224 F252A182-T186 WeakPolarHBondContact O-CB 3.5Å; A182-T186 PolarHBondContact O-N 3.32Å; A182-T186 PolarHBondContact O-OG1 2.82Å; A182-T186 VanDerWaalsContact O-OG1 3.12Å; A183-T186 PolarHBondContact O-N 3Å; T186-C188 PolarHBondContact O-N 3.05Å; T186-C188 VanDerWaalsContact O-N 3.17Å; T186-H189 WeakPolarHBondContact O-CB 3.35Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 VanDerWaalsContact O-N 3.15Å; T186-A220 HydrophobicContact CG2-CB 4.16Å; T186-A220 WeakPolarHBondContact CG2-O 3.31Å; T186-L221 HydrophobicContact CG2-CB 4.41Å; T186-L221 HydrophobicContact CG2-CD1 4.44Å; T186-W224 HydrophobicContact CG2-CB 3.8Å; T186-W224 HydrophobicContact CG2-CG 4.23Å; T186-F252 HydrophobicContact CG2-CE2 4.5Å; T186-F252 HydrophobicContact CG2-CZ 4.14Å
187N83.5Confident81.7Confident50 Ų5038.1 Ų38.127%0.26719%0.188SC..Hα-helixtrans-65.5-18.4177.5-163.775.4000113.6A183 L184 W185 H189 W224A183-N187 PolarHBondContact O-N 2.97Å; L184-N187 PolarHBondContact O-N 3.23Å; W185-N187 VanDerWaalsContact C-N 3.31Å; N187-H189 VanDerWaalsContact C-N 3.31Å; N187-W224 PolarHBondContact OD1-NE1 3.2Å
188C77.3Confident81.9Confident5 Ų541.6 Ų41.63%0.03420%0.203CC..THydrogen-bonded Turntrans-87.86.2177.5-650000114P8 L184 W185 T186 M190 E191 T192 I194 L280 Y296P8-C188 VanDerWaalsContact CB-SG 3.6Å; L184-C188 PolarHBondContact O-N 3.2Å; L184-C188 PolarHBondContact O-SG 2.86Å; W185-C188 WeakPolarHBondContact O-CB 3.32Å; W185-C188 PolarHBondContact O-N 3.42Å; T186-C188 PolarHBondContact O-N 3.05Å; T186-C188 VanDerWaalsContact O-N 3.17Å; C188-M190 PolarHBondContact O-N 3.02Å; C188-E191 PolarHBondContact O-N 3Å; C188-T192 PolarHBondContact O-OG1 3.24Å; C188-T192 VanDerWaalsContact O-OG1 3.12Å; C188-I194 HydrophobicContact CB-CD1 4.3Å; C188-L280 HydrophobicContact CB-CD1 3.44Å; C188-L280 VanDerWaalsContact CB-CD1 3.44Å; C188-Y296 HydrophobicContact CB-CD2 4.16Å; C188-Y296 HydrophobicContact CB-CE1 4.07Å; C188-Y296 HydrophobicContact CB-CE2 3.58Å; C188-Y296 VanDerWaalsContact SG-CD1 3.53Å; C188-Y296 WeakPolarHBondContact SG-CE1 3.41Å; C188-Y296 VanDerWaalsContact SG-CZ 3.52Å
189H67.6Low82Confident25 Ų2541.7 Ų41.712%0.11620%0.203CC..Hα-helixtrans-54.6-44.6-172.6-179.8-72.8000114T186 N187 E191 T192 I194 S217 D218 L221T186-H189 WeakPolarHBondContact O-CB 3.35Å; T186-H189 PolarHBondContact O-N 3.09Å; T186-H189 VanDerWaalsContact O-N 3.15Å; N187-H189 VanDerWaalsContact C-N 3.31Å; H189-E191 PolarHBondContact O-N 3.1Å; H189-T192 PolarHBondContact O-N 3.37Å; H189-I194 HydrophobicContact CB-CD1 4.45Å; H189-S217 VanDerWaalsContact CD2-C 3.42Å; H189-S217 WeakPolarHBondContact CD2-CB 3.41Å; H189-S217 PolarHBondContact CD2-O 3.44Å; H189-S217 VanDerWaalsContact NE2-C 3.28Å; H189-S217 WeakPolarHBondContact NE2-CB 3.12Å; H189-S217 PolarHBondContact NE2-O 3.21Å; H189-S217 PolarHBondContact NE2-OG 2.91Å; H189-D218 IonicContact CE1-OD1 2.95Å; H189-D218 PolarHBondContact CE1-OD1 2.88Å; H189-D218 IonicContact NE2-OD1 2.82Å; H189-D218 PolarHBondContact NE2-OD1 3.12Å; H189-D218 VanDerWaalsContact NE2-OD1 3.07Å; H189-L221 HydrophobicContact CB-CB 4.5Å; H189-L221 HydrophobicContact CB-CD1 4.19Å; H189-L221 HydrophobicContact CB-CD2 3.87Å; H189-L221 HydrophobicContact CB-CG 4.42Å
190M58.4Low82.2Confident149 Ų14941.3 Ų41.373%0.73420%0.202SC*.Hα-helixtrans-63.7-14.5-170-61.8-156.272.400114.8C188 L221 R225C188-M190 PolarHBondContact O-N 3.02Å; M190-L221 HydrophobicContact CG-CD2 4.48Å; M190-R225 PolarHBondContact SD-NH2 3.28Å
191E60.2Low82.4Confident91 Ų9141.4 Ų41.443%0.42520%0.202SC..Hα-helixtrans-116.2-12.2-172.2-62.1-174.8-14700115.2S10 C188 H189 R295 Y296S10-E191 VanDerWaalsContact CB-CD 3.48Å; S10-E191 WeakPolarHBondContact CB-OE1 3.31Å; S10-E191 WeakPolarHBondContact CB-OE2 3.32Å; S10-E191 PolarHBondContact OG-OE2 2.94Å; C188-E191 PolarHBondContact O-N 3Å; H189-E191 PolarHBondContact O-N 3.1Å; E191-R295 PolarHBondContact O-NH1 2.99Å; E191-Y296 WeakPolarHBondContact CB-OH 3.49Å; E191-Y296 VanDerWaalsContact CD-OH 3.3Å; E191-Y296 PolarHBondContact OE2-OH 3Å
192T60Low82.6Confident32 Ų3243.3 Ų43.320%0.19621%0.213CC..Hα-helixtrans-126.611.1-16650.70000116.4C188 H189 I194 L280 Y296C188-T192 PolarHBondContact O-OG1 3.24Å; C188-T192 VanDerWaalsContact O-OG1 3.12Å; H189-T192 PolarHBondContact O-N 3.37Å; T192-I194 PolarHBondContact O-N 3.49Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.26Å; T192-L280 HydrophobicContact CG2-CD2 3.83Å; T192-Y296 HydrophobicContact CG2-CE2 3.75Å
193N64.3Low82.8Confident130 Ų13043.9 Ų43.970%0.69522%0.217SC*.THydrogen-bonded Turntrans4646.8-177.1-164.6-1.5000110.2Q195N193-Q195 PolarHBondContact O-N 3.07Å; N193-Q195 VanDerWaalsContact O-N 3.1Å
194I68.4Low82.9Confident6 Ų648.9 Ų48.93%0.03125%0.249CC..  trans-61.7117.2175-57.1-173.1000104.7W185 C188 H189 T192 S217 A279 L280W185-I194 WeakPolarHBondContact O-CD1 3.31Å; C188-I194 HydrophobicContact CB-CD1 4.3Å; H189-I194 HydrophobicContact CB-CD1 4.45Å; T192-I194 PolarHBondContact O-N 3.49Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.26Å; I194-S217 WeakPolarHBondContact O-CB 3.3Å; I194-S217 PolarHBondContact O-OG 3.26Å; I194-A279 HydrophobicContact CG1-CB 4.4Å; I194-L280 HydrophobicContact CD1-CD1 3.85Å; I194-L280 HydrophobicContact CD1-CG 4.07Å
195Q77.9Confident83.2Confident129 Ų12951.6 Ų51.660%0.60327%0.266SS*.  trans-88.1-35.6-179.3-67.4-174.6-13.700111.6N193 S217N193-Q195 PolarHBondContact O-N 3.07Å; N193-Q195 VanDerWaalsContact O-N 3.1Å; Q195-S217 WeakPolarHBondContact O-CB 3.4Å; Q195-S217 PolarHBondContact O-N 3.35Å; Q195-S217 PolarHBondContact O-OG 3Å
196K89.4Confident83.3Confident123 Ų12358.5 Ų58.554%0.53531%0.309SS..EExtended strand (participates in β ladder)trans-148.6142.6-173.3-59.6-173.3-179.2-174.20112T214 V215K196-T214 HydrophobicContact CB-CG2 3.75Å; K196-T214 HydrophobicContact CD-CG2 3.67Å; K196-T214 HydrophobicContact CG-CG2 4.12Å; K196-V215 WeakPolarHBondContact CA-O 3.44Å
197L93.9Very high83.5Confident3 Ų363.4 Ų63.42%0.01634%0.341CS..EExtended strand (participates in β ladder)trans-97.8118.5162177.766.3000108.3A182 M199 T214 V215 A220 F252 L256 V276A182-L197 HydrophobicContact CB-CD1 4.43Å; L197-M199 HydrophobicContact CD2-CE 4.11Å; L197-M199 HydrophobicContact CD2-SD 4.4Å; L197-M199 HydrophobicContact CG-CE 4.32Å; L197-T214 WeakPolarHBondContact O-CA 3.46Å; L197-V215 PolarHBondContact N-O 3.47Å; L197-V215 PolarHBondContact O-N 2.88Å; L197-A220 HydrophobicContact CD2-CB 4.41Å; L197-F252 HydrophobicContact CD2-CE1 4.48Å; L197-F252 HydrophobicContact CD2-CZ 4.16Å; L197-L256 HydrophobicContact CD2-CD1 4.25Å; L197-V276 HydrophobicContact CD1-CG1 3.9Å
198K95.8Very high84Confident78 Ų7865.7 Ų65.734%0.33936%0.358SS..EExtended strand (participates in β ladder)trans-113127.3178.4176.5-176.2-176.1-179.60110.5T212 T214 V276 S277K198-T212 HydrophobicContact CD-CG2 4.35Å; K198-T212 VanDerWaalsContact CE-CG2 3.4Å; K198-T212 HydrophobicContact CG-CG2 4.23Å; K198-T214 HydrophobicContact CB-CG2 4.39Å; K198-V276 CarbonylContact O-C 3.43Å; K198-V276 WeakPolarHBondContact O-CA 3.48Å; K198-S277 WeakPolarHBondContact CB-OG 3.39Å; K198-S277 PolarHBondContact N-O 3.36Å; K198-S277 PolarHBondContact O-N 2.86Å; K198-S277 PolarHBondContact O-OG 3.4Å
199M97.2Very high84.9Confident1 Ų169.5 Ų69.51%0.00538%0.377CS..EExtended strand (participates in β ladder)trans-121.5138.8176.6-64.8163.8-77.600109.6L197 Y213 V215 M253 L256 L273 Q275 V276L197-M199 HydrophobicContact CD2-CE 4.11Å; L197-M199 HydrophobicContact CD2-SD 4.4Å; L197-M199 HydrophobicContact CG-CE 4.32Å; M199-Y213 HydrophobicContact CE-CD1 3.64Å; M199-Y213 HydrophobicContact CE-CE1 3.99Å; M199-Y213 HydrophobicContact CE-CG 4.27Å; M199-Y213 PolarHBondContact N-O 2.86Å; M199-Y213 PolarHBondContact O-N 2.94Å; M199-V215 HydrophobicContact CE-CG2 4.03Å; M199-M253 HydrophobicContact SD-CE 3.97Å; M199-L256 HydrophobicContact CE-CD1 3.89Å; M199-L256 HydrophobicContact CE-CD2 4.45Å; M199-L256 HydrophobicContact SD-CD1 3.92Å; M199-L273 HydrophobicContact CB-CD1 3.83Å; M199-L273 HydrophobicContact CG-CD1 4.23Å; M199-Q275 CarbonylContact C-O 3.59Å; M199-Q275 WeakPolarHBondContact CA-O 3.42Å; M199-V276 HydrophobicContact CG-CG2 4.37Å
200I97.4Very high86.3Confident17 Ų1774.5 Ų74.59%0.08740%0.401CS..EExtended strand (participates in β ladder)trans-117.8122.1175-54.2179000108.3Q210 V211 N274 Q275I200-Q210 HydrophobicContact CG2-CG 3.58Å; I200-V211 WeakPolarHBondContact CA-O 3.33Å; I200-N274 PolarHBondContact O-N 3.32Å; I200-Q275 HydrophobicContact CB-CB 4.09Å; I200-Q275 HydrophobicContact CD1-CB 4.2Å; I200-Q275 HydrophobicContact CD1-CG 4.37Å; I200-Q275 HydrophobicContact CG1-CB 4.28Å; I200-Q275 PolarHBondContact N-O 2.89Å; I200-Q275 PolarHBondContact O-N 2.83Å
201W96.9Very high88.1Confident2 Ų268.2 Ų68.21%0.00837%0.371CS..EExtended strand (participates in β ladder)trans-111.2148.2177.6-6982.2000110.6Q210 V211 M253 M257 L268 G271 E272 L273W201-Q210 CarbonylContact O-C 3.55Å; W201-Q210 WeakPolarHBondContact O-CA 3.3Å; W201-V211 HydrophobicContact CB-CB 4.43Å; W201-V211 PolarHBondContact N-O 2.82Å; W201-V211 PolarHBondContact O-N 3.02Å; W201-M253 HydrophobicContact CZ2-CE 4.21Å; W201-M257 HydrophobicContact CH2-CG 4.44Å; W201-M257 HydrophobicContact CH2-SD 3.55Å; W201-M257 VanDerWaalsContact CH2-SD 3.55Å; W201-M257 HydrophobicContact CZ2-CG 4.15Å; W201-M257 HydrophobicContact CZ2-SD 3.85Å; W201-M257 HydrophobicContact CZ3-SD 4.37Å; W201-L268 HydrophobicContact CB-CD2 4.03Å; W201-L268 HydrophobicContact CD2-CB 4.23Å; W201-L268 HydrophobicContact CE3-CB 4.44Å; W201-L268 VanDerWaalsContact CE3-O 3.25Å; W201-L268 HydrophobicContact CG-CD1 4.46Å; W201-L268 HydrophobicContact CG-CD2 4.01Å; W201-L268 VanDerWaalsContact CZ3-O 3.25Å; W201-L268 WeakPolarHBondContact CZ3-O 3.48Å; W201-G271 WeakPolarHBondContact CZ3-O 3.35Å; W201-E272 CarbonylContact C-O 3.54Å; W201-E272 VanDerWaalsContact CA-O 3.26Å; W201-E272 WeakPolarHBondContact CA-O 3.29Å; W201-L273 HydrophobicContact CD2-CB 4.04Å; W201-L273 HydrophobicContact CD2-CD1 4.24Å; W201-L273 HydrophobicContact CE3-CB 4.04Å; W201-L273 VanDerWaalsContact CE3-N 3.3Å; W201-L273 HydrophobicContact CG-CD1 4.41Å; W201-L273 HydrophobicContact CH2-CB 3.87Å; W201-L273 HydrophobicContact CZ2-CB 3.85Å; W201-L273 HydrophobicContact CZ2-CD1 4.16Å; W201-L273 HydrophobicContact CZ2-CD2 4.38Å; W201-L273 HydrophobicContact CZ2-CG 4.36Å; W201-L273 HydrophobicContact CZ3-CB 3.96Å
202T96.6Very high89.9Confident41 Ų4167.2 Ų67.225%0.25237%0.371SS..EExtended strand (participates in β ladder)trans-118.4121.9168-57.70000108.9P208 G271 E272 N274T202-P208 HydrophobicContact CG2-CB 4.06Å; T202-G271 VanDerWaalsContact O-CA 3.22Å; T202-G271 WeakPolarHBondContact O-CA 3.34Å; T202-E272 PolarHBondContact N-O 2.95Å; T202-E272 PolarHBondContact O-N 2.75Å; T202-N274 WeakPolarHBondContact CB-OD1 3.45Å; T202-N274 PolarHBondContact N-OD1 2.8Å; T202-N274 PolarHBondContact OG1-OD1 3.22Å
203L96.3Very high91.7Very high13 Ų1366.4 Ų66.47%0.06837%0.365CS..EExtended strand (participates in β ladder)trans-93.6141.2178.4-64.4169000110.3V205 L209 V211 V266 D267L203-V205 HydrophobicContact CB-CG2 4.47Å; L203-V205 PolarHBondContact O-N 2.83Å; L203-L209 HydrophobicContact CB-CB 4.31Å; L203-L209 HydrophobicContact CD1-CD2 4.01Å; L203-L209 HydrophobicContact CD1-CG 4.41Å; L203-L209 PolarHBondContact N-O 2.84Å; L203-L209 PolarHBondContact O-N 3.39Å; L203-V211 HydrophobicContact CD1-CG2 3.78Å; L203-V211 HydrophobicContact CG-CG2 4.42Å; L203-V266 HydrophobicContact CD1-CG1 3.52Å; L203-D267 WeakPolarHBondContact CD2-O 3.37Å
204P94.8Very high93.2Very high104 Ų10463.1 Ų63.168%0.67535%0.349SS*.  trans-81.948.1-173.836.6-39000112.3A270P204-A270 WeakPolarHBondContact CD-O 3.47Å; P204-A270 VanDerWaalsContact CG-O 3.3Å; P204-A270 WeakPolarHBondContact CG-O 3.2Å
205V92.9Very high94.4Very high75 Ų7563.5 Ų63.546%0.45535%0.352SS..SBendtrans-96.2166.2172.5-64.20000110L203 P207 P208 L209L203-V205 HydrophobicContact CB-CG2 4.47Å; L203-V205 PolarHBondContact O-N 2.83Å; V205-P207 CarbonylContact C-O 3.51Å; V205-P207 WeakPolarHBondContact CG2-O 3.48Å; V205-P207 CarbonylContact O-C 3.57Å; V205-P208 WeakPolarHBondContact O-CA 3.5Å; V205-L209 HydrophobicContact CG2-CB 3.42Å; V205-L209 VanDerWaalsContact CG2-CB 3.42Å
206V92.6Very high95.1Very high149 Ų14960.5 Ų60.590%0.90334%0.34SS*.SBendtrans-116116.2179.2-178.20000109.3
207P92.2Very high94.9Very high109 Ų10955 Ų5571%0.70832%0.317SS*.SBendcis-68.5156.1-6.431.2-35.9000112.5V205 L209V205-P207 CarbonylContact C-O 3.51Å; V205-P207 WeakPolarHBondContact CG2-O 3.48Å; V205-P207 CarbonylContact O-C 3.57Å; P207-L209 PolarHBondContact O-N 3.21Å
208P94.3Very high94.7Very high97 Ų9759.5 Ų59.563%0.6334%0.341SS*.PPolyproline II helixtrans-54.2129.9-179-28.235.3000112.5T202 V205T202-P208 HydrophobicContact CG2-CB 4.06Å; V205-P208 WeakPolarHBondContact O-CA 3.5Å
209L95.5Very high94.5Very high85 Ų8560.3 Ų60.345%0.44535%0.349SS..EExtended strand (participates in β ladder)trans-95.7117.1179.9177.462.1000109.7L203 V205 P207 V211L203-L209 HydrophobicContact CB-CB 4.31Å; L203-L209 HydrophobicContact CD1-CD2 4.01Å; L203-L209 HydrophobicContact CD1-CG 4.41Å; L203-L209 PolarHBondContact N-O 2.84Å; L203-L209 PolarHBondContact O-N 3.39Å; V205-L209 HydrophobicContact CG2-CB 3.42Å; V205-L209 VanDerWaalsContact CG2-CB 3.42Å; P207-L209 PolarHBondContact O-N 3.21Å; L209-V211 HydrophobicContact CD2-CG2 4.33Å; L209-V211 HydrophobicContact CG-CG2 4.13Å
210Q96.9Very high94.2Very high130 Ų13060.3 Ų60.361%0.60735%0.349SS*.EExtended strand (participates in β ladder)trans-90.8123172.5-173.2174.889.900110.3I200 W201I200-Q210 HydrophobicContact CG2-CG 3.58Å; W201-Q210 CarbonylContact O-C 3.55Å; W201-Q210 WeakPolarHBondContact O-CA 3.3Å
211V97.4Very high93.9Very high17 Ų1760 Ų6010%0.10335%0.348CS..EExtended strand (participates in β ladder)trans-110123.6178.4-178.60000109.4I200 W201 L203 L209 F260 L268I200-V211 WeakPolarHBondContact CA-O 3.33Å; W201-V211 HydrophobicContact CB-CB 4.43Å; W201-V211 PolarHBondContact N-O 2.82Å; W201-V211 PolarHBondContact O-N 3.02Å; L203-V211 HydrophobicContact CD1-CG2 3.78Å; L203-V211 HydrophobicContact CG-CG2 4.42Å; L209-V211 HydrophobicContact CD2-CG2 4.33Å; L209-V211 HydrophobicContact CG-CG2 4.13Å; V211-F260 HydrophobicContact CG1-CE1 3.95Å; V211-F260 HydrophobicContact CG1-CE2 4.16Å; V211-F260 HydrophobicContact CG1-CZ 3.43Å; V211-F260 VanDerWaalsContact CG1-CZ 3.43Å; V211-L268 HydrophobicContact CB-CD2 4.13Å; V211-L268 HydrophobicContact CG1-CD2 4Å; V211-L268 HydrophobicContact CG2-CD2 4.37Å
212T97.5Very high93.6Very high70 Ų7066.4 Ų66.443%0.42938%0.378SS..EExtended strand (participates in β ladder)trans-97.9112.5168.9-68.80000109.1K198K198-T212 HydrophobicContact CD-CG2 4.35Å; K198-T212 VanDerWaalsContact CE-CG2 3.4Å; K198-T212 HydrophobicContact CG-CG2 4.23Å
213Y96.8Very high93.4Very high16 Ų1666.6 Ų66.66%0.06338%0.377CS..EExtended strand (participates in β ladder)trans-107118.6174.9-177.4-154.9000109.8M199 V215 L256 H259 F260 L268M199-Y213 HydrophobicContact CE-CD1 3.64Å; M199-Y213 HydrophobicContact CE-CE1 3.99Å; M199-Y213 HydrophobicContact CE-CG 4.27Å; M199-Y213 PolarHBondContact N-O 2.86Å; M199-Y213 PolarHBondContact O-N 2.94Å; Y213-V215 HydrophobicContact CD1-CG2 4.34Å; Y213-V215 HydrophobicContact CD2-CG2 4.05Å; Y213-V215 HydrophobicContact CE1-CG2 3.8Å; Y213-V215 HydrophobicContact CE2-CG2 3.44Å; Y213-V215 VanDerWaalsContact CE2-CG2 3.44Å; Y213-V215 HydrophobicContact CG-CG2 4.45Å; Y213-V215 WeakPolarHBondContact OH-CG2 3.27Å; Y213-L256 HydrophobicContact CE1-CB 4.18Å; Y213-L256 HydrophobicContact CE1-CD2 4.49Å; Y213-L256 WeakPolarHBondContact CE1-O 3.29Å; Y213-H259 AromaticContact CZ-ND1 3.87Å; Y213-H259 PolarHBondContact OH-ND1 3.24Å; Y213-F260 HydrophobicContact CD1-CB 4.35Å; Y213-F260 AromaticContact CD1-CD2 3.92Å; Y213-F260 HydrophobicContact CD1-CD2 3.92Å; Y213-F260 HydrophobicContact CD1-CG 4.41Å; Y213-F260 AromaticContact CD2-CD2 3.53Å; Y213-F260 HydrophobicContact CD2-CD2 3.53Å; Y213-F260 AromaticContact CD2-CE2 3.89Å; Y213-F260 HydrophobicContact CD2-CE2 3.89Å; Y213-F260 HydrophobicContact CE1-CB 4.07Å; Y213-F260 HydrophobicContact CE1-CD2 4.17Å; Y213-F260 AromaticContact CE2-CD2 3.83Å; Y213-F260 HydrophobicContact CE2-CD2 3.83Å; Y213-F260 AromaticContact CG-CD2 3.61Å; Y213-F260 HydrophobicContact CG-CD2 3.61Å; Y213-F260 HydrophobicContact CG-CE2 4Å; Y213-F260 HydrophobicContact CG-CG 4.49Å; Y213-L268 HydrophobicContact CD1-CD1 4.13Å
214T96.1Very high93.1Very high61 Ų6166.1 Ų66.137%0.37437%0.374SS..EExtended strand (participates in β ladder)trans-120.1128.3178.9-52.70000109.1K196 L197 K198K196-T214 HydrophobicContact CB-CG2 3.75Å; K196-T214 HydrophobicContact CD-CG2 3.67Å; K196-T214 HydrophobicContact CG-CG2 4.12Å; L197-T214 WeakPolarHBondContact O-CA 3.46Å; K198-T214 HydrophobicContact CB-CG2 4.39Å
215V94.1Very high92.8Very high13 Ų1366.3 Ų66.38%0.07936%0.361CS..EExtended strand (participates in β ladder)trans-117.8142.2-178.4-168.30000108.5K196 L197 M199 Y213 D219 A220 L256K196-V215 WeakPolarHBondContact CA-O 3.44Å; L197-V215 PolarHBondContact N-O 3.47Å; L197-V215 PolarHBondContact O-N 2.88Å; M199-V215 HydrophobicContact CE-CG2 4.03Å; Y213-V215 HydrophobicContact CD1-CG2 4.34Å; Y213-V215 HydrophobicContact CD2-CG2 4.05Å; Y213-V215 HydrophobicContact CE1-CG2 3.8Å; Y213-V215 HydrophobicContact CE2-CG2 3.44Å; Y213-V215 VanDerWaalsContact CE2-CG2 3.44Å; Y213-V215 HydrophobicContact CG-CG2 4.45Å; Y213-V215 WeakPolarHBondContact OH-CG2 3.27Å; V215-D219 HydrophobicContact CG1-CB 4.03Å; V215-A220 HydrophobicContact CG1-CB 4.15Å; V215-L256 HydrophobicContact CG2-CD2 4.08Å
216D91.6Very high92.6Very high66 Ų6665.5 Ų65.535%0.35336%0.359SS..EExtended strand (participates in β ladder)trans-60.8144.3168.7-162.4-79.9000109.6D218 D219 A220D216-D218 VanDerWaalsContact C-N 3.3Å; D216-D218 PolarHBondContact O-N 3.35Å; D216-D218 PolarHBondContact OD1-N 3.42Å; D216-D219 HydrophobicContact CB-CB 4.47Å; D216-A220 WeakPolarHBondContact O-CB 3.4Å; D216-A220 PolarHBondContact O-N 2.95Å
217S86.7Confident92.2Very high9 Ų958.9 Ų58.96%0.06332%0.319CS..Hα-helixtrans-60.3-37.8-179.569.30000113.6H189 I194 Q195 L221H189-S217 VanDerWaalsContact CD2-C 3.42Å; H189-S217 WeakPolarHBondContact CD2-CB 3.41Å; H189-S217 PolarHBondContact CD2-O 3.44Å; H189-S217 VanDerWaalsContact NE2-C 3.28Å; H189-S217 WeakPolarHBondContact NE2-CB 3.12Å; H189-S217 PolarHBondContact NE2-O 3.21Å; H189-S217 PolarHBondContact NE2-OG 2.91Å; I194-S217 WeakPolarHBondContact O-CB 3.3Å; I194-S217 PolarHBondContact O-OG 3.26Å; Q195-S217 WeakPolarHBondContact O-CB 3.4Å; Q195-S217 PolarHBondContact O-N 3.35Å; Q195-S217 PolarHBondContact O-OG 3Å; S217-L221 VanDerWaalsContact O-CB 3.31Å; S217-L221 WeakPolarHBondContact O-CB 3.48Å; S217-L221 PolarHBondContact O-N 2.99Å
218D88.7Confident91.5Very high96 Ų9656.2 Ų56.251%0.51330%0.295SS..Hα-helixtrans-70.7-45.2-178.9-72.1-28.4000110.3H189 D216 A220 L221 E222H189-D218 IonicContact CE1-OD1 2.95Å; H189-D218 PolarHBondContact CE1-OD1 2.88Å; H189-D218 IonicContact NE2-OD1 2.82Å; H189-D218 PolarHBondContact NE2-OD1 3.12Å; H189-D218 VanDerWaalsContact NE2-OD1 3.07Å; D216-D218 VanDerWaalsContact C-N 3.3Å; D216-D218 PolarHBondContact O-N 3.35Å; D216-D218 PolarHBondContact OD1-N 3.42Å; D218-A220 VanDerWaalsContact C-N 3.34Å; D218-A220 PolarHBondContact O-N 3.04Å; D218-L221 PolarHBondContact O-N 2.96Å; D218-L221 VanDerWaalsContact O-N 3.15Å; D218-E222 WeakPolarHBondContact O-CB 3.33Å; D218-E222 PolarHBondContact O-N 3.48Å
219D91.6Very high90.2Very high96 Ų9657.8 Ų57.851%0.51329%0.294SS..Hα-helixtrans-61.3-43.1175.5-61.6-26.4000111.5V215 D216 L221 E222 L223V215-D219 HydrophobicContact CG1-CB 4.03Å; D216-D219 HydrophobicContact CB-CB 4.47Å; D219-L221 VanDerWaalsContact C-N 3.3Å; D219-L221 PolarHBondContact O-N 3.28Å; D219-E222 PolarHBondContact O-N 3.39Å; D219-L223 WeakPolarHBondContact O-CB 3.3Å; D219-L223 PolarHBondContact O-N 3.22Å
220A91.8Very high88.5Confident1 Ų156.6 Ų56.61%0.00829%0.293CS..Hα-helixtrans-64.4-38.417700000111.2T186 L197 V215 D216 D218 W224 F252T186-A220 HydrophobicContact CG2-CB 4.16Å; T186-A220 WeakPolarHBondContact CG2-O 3.31Å; L197-A220 HydrophobicContact CD2-CB 4.41Å; V215-A220 HydrophobicContact CG1-CB 4.15Å; D216-A220 WeakPolarHBondContact O-CB 3.4Å; D216-A220 PolarHBondContact O-N 2.95Å; D218-A220 VanDerWaalsContact C-N 3.34Å; D218-A220 PolarHBondContact O-N 3.04Å; A220-W224 WeakPolarHBondContact O-CB 3.24Å; A220-W224 PolarHBondContact O-N 3.27Å; A220-F252 WeakPolarHBondContact O-CE2 3.39Å
221L89.9Confident86.6Confident10 Ų1051.8 Ų51.85%0.05227%0.273CS..Hα-helixtrans-70.5-41177.7-17863.5000112.1T186 H189 M190 S217 D218 D219 W224 R225T186-L221 HydrophobicContact CG2-CB 4.41Å; T186-L221 HydrophobicContact CG2-CD1 4.44Å; H189-L221 HydrophobicContact CB-CB 4.5Å; H189-L221 HydrophobicContact CB-CD1 4.19Å; H189-L221 HydrophobicContact CB-CD2 3.87Å; H189-L221 HydrophobicContact CB-CG 4.42Å; M190-L221 HydrophobicContact CG-CD2 4.48Å; S217-L221 VanDerWaalsContact O-CB 3.31Å; S217-L221 WeakPolarHBondContact O-CB 3.48Å; S217-L221 PolarHBondContact O-N 2.99Å; D218-L221 PolarHBondContact O-N 2.96Å; D218-L221 VanDerWaalsContact O-N 3.15Å; D219-L221 VanDerWaalsContact C-N 3.3Å; D219-L221 PolarHBondContact O-N 3.28Å; L221-W224 WeakPolarHBondContact O-CB 3.48Å; L221-W224 PolarHBondContact O-N 3.36Å; L221-R225 HydrophobicContact CD1-CG 4.41Å; L221-R225 VanDerWaalsContact CD2-CZ 3.49Å; L221-R225 VanDerWaalsContact CD2-NH2 3.27Å; L221-R225 HydrophobicContact CG-CG 4.48Å; L221-R225 WeakPolarHBondContact O-CB 3.4Å; L221-R225 WeakPolarHBondContact O-CG 3.47Å; L221-R225 PolarHBondContact O-N 3.41Å
222E90.9Very high84.5Confident136 Ų13653 Ų5364%0.63629%0.285SS*.Hα-helixtrans-60.6-46.8175.2-174.3176.8178.200110.6D218 D219 W224 R225 S226D218-E222 WeakPolarHBondContact O-CB 3.33Å; D218-E222 PolarHBondContact O-N 3.48Å; D219-E222 PolarHBondContact O-N 3.39Å; E222-W224 VanDerWaalsContact C-N 3.34Å; E222-W224 PolarHBondContact O-N 3.01Å; E222-R225 PolarHBondContact O-N 3.02Å; E222-S226 PolarHBondContact O-N 3.39Å
223L92.4Very high82.3Confident46 Ų4656.9 Ų56.924%0.24130%0.299CS..Hα-helixtrans-58.5-47173.2-179.464.8000111.1D219 R225 S226 T227 F252 L256D219-L223 WeakPolarHBondContact O-CB 3.3Å; D219-L223 PolarHBondContact O-N 3.22Å; L223-R225 PolarHBondContact O-N 2.92Å; L223-S226 PolarHBondContact O-N 2.83Å; L223-S226 PolarHBondContact O-OG 3.18Å; L223-T227 WeakPolarHBondContact O-CG2 3.46Å; L223-T227 PolarHBondContact O-N 3.37Å; L223-F252 HydrophobicContact CB-CD2 4.49Å; L223-F252 HydrophobicContact CB-CE2 4.35Å; L223-F252 HydrophobicContact CD2-CD2 3.97Å; L223-F252 HydrophobicContact CD2-CE2 4Å; L223-F252 HydrophobicContact CG-CD2 3.97Å; L223-F252 HydrophobicContact CG-CE2 4.2Å; L223-L256 HydrophobicContact CD2-CD2 3.65Å; L223-L256 HydrophobicContact CD2-CG 3.69Å
224W90.9Very high80Confident2 Ų265 Ų651%0.00833%0.334CS..Hα-helixtrans-58-48.4177.4178.2-116.2000112.1A183 T186 N187 A220 L221 E222 S226 T227 R228 I244 E248 V249 F252A183-W224 HydrophobicContact CB-CE3 4.29Å; A183-W224 HydrophobicContact CB-CH2 3.85Å; A183-W224 HydrophobicContact CB-CZ2 4.46Å; A183-W224 HydrophobicContact CB-CZ3 3.75Å; T186-W224 HydrophobicContact CG2-CB 3.8Å; T186-W224 HydrophobicContact CG2-CG 4.23Å; N187-W224 PolarHBondContact OD1-NE1 3.2Å; A220-W224 WeakPolarHBondContact O-CB 3.24Å; A220-W224 PolarHBondContact O-N 3.27Å; L221-W224 WeakPolarHBondContact O-CB 3.48Å; L221-W224 PolarHBondContact O-N 3.36Å; E222-W224 VanDerWaalsContact C-N 3.34Å; E222-W224 PolarHBondContact O-N 3.01Å; W224-S226 PolarHBondContact O-N 3.27Å; W224-T227 PolarHBondContact O-N 2.99Å; W224-T227 VanDerWaalsContact O-N 3.16Å; W224-T227 PolarHBondContact O-OG1 3.45Å; W224-R228 HydrophobicContact CD2-CG 4.4Å; W224-R228 HydrophobicContact CZ2-CG 4.18Å; W224-R228 WeakPolarHBondContact O-CG 3.45Å; W224-R228 PolarHBondContact O-N 3.21Å; W224-I244 HydrophobicContact CH2-CG2 3.57Å; W224-I244 HydrophobicContact CZ2-CD1 4.06Å; W224-I244 HydrophobicContact CZ2-CG1 4.26Å; W224-I244 HydrophobicContact CZ2-CG2 3.83Å; W224-E248 HydrophobicContact CH2-CB 4.18Å; W224-E248 HydrophobicContact CZ3-CB 4.42Å; W224-V249 HydrophobicContact CH2-CG2 4.27Å; W224-F252 HydrophobicContact CB-CD2 4.08Å; W224-F252 HydrophobicContact CB-CE2 4.01Å; W224-F252 HydrophobicContact CE3-CB 3.58Å; W224-F252 AromaticContact CE3-CD1 3.99Å; W224-F252 HydrophobicContact CE3-CD1 3.99Å; W224-F252 AromaticContact CE3-CD2 3.87Å; W224-F252 HydrophobicContact CE3-CD2 3.87Å; W224-F252 AromaticContact CE3-CG 3.54Å; W224-F252 HydrophobicContact CE3-CG 3.54Å; W224-F252 HydrophobicContact CZ3-CB 3.69Å; W224-F252 HydrophobicContact CZ3-CD1 4.32Å; W224-F252 HydrophobicContact CZ3-CG 4.04Å
225R88.1Confident77.7Confident108 Ų10866 Ų6641%0.40834%0.344SS..Hα-helixtrans-59.9-43.5178.1-73.5175.1-179.2158.3-1.3112M190 L221 E222 L223 T227 R228 E229M190-R225 PolarHBondContact SD-NH2 3.28Å; L221-R225 HydrophobicContact CD1-CG 4.41Å; L221-R225 VanDerWaalsContact CD2-CZ 3.49Å; L221-R225 VanDerWaalsContact CD2-NH2 3.27Å; L221-R225 HydrophobicContact CG-CG 4.48Å; L221-R225 WeakPolarHBondContact O-CB 3.4Å; L221-R225 WeakPolarHBondContact O-CG 3.47Å; L221-R225 PolarHBondContact O-N 3.41Å; E222-R225 PolarHBondContact O-N 3.02Å; L223-R225 PolarHBondContact O-N 2.92Å; R225-T227 PolarHBondContact O-N 3.46Å; R225-R228 CarbonylContact O-C 3.55Å; R225-R228 WeakPolarHBondContact O-CA 3.13Å; R225-R228 WeakPolarHBondContact O-CB 3.32Å; R225-R228 PolarHBondContact O-N 3.18Å; R225-E229 PolarHBondContact O-N 3.36Å
226S87.7Confident75.2Confident58 Ų5876.1 Ų76.141%0.40638%0.381SS..Hα-helixtrans-59-36.4177.3770000112.6E222 L223 W224 R228 S230E222-S226 PolarHBondContact O-N 3.39Å; L223-S226 PolarHBondContact O-N 2.83Å; L223-S226 PolarHBondContact O-OG 3.18Å; W224-S226 PolarHBondContact O-N 3.27Å; S226-R228 VanDerWaalsContact C-N 3.29Å; S226-R228 PolarHBondContact O-N 3.17Å; S226-S230 PolarHBondContact O-N 3.19Å
227T85Confident72.9Confident11 Ų1176.8 Ų76.87%0.06740%0.403CS..Hα-helixtrans-68.5-30.2175.864.10000112.5L223 W224 R225 S230 R251 F252L223-T227 WeakPolarHBondContact O-CG2 3.46Å; L223-T227 PolarHBondContact O-N 3.37Å; W224-T227 PolarHBondContact O-N 2.99Å; W224-T227 VanDerWaalsContact O-N 3.16Å; W224-T227 PolarHBondContact O-OG1 3.45Å; R225-T227 PolarHBondContact O-N 3.46Å; T227-S230 PolarHBondContact O-OG 2.76Å; T227-R251 HydrophobicContact CG2-CB 4.11Å; T227-F252 HydrophobicContact CG2-CB 4.36Å
228R77.9Confident70.8Confident52 Ų5279.4 Ų79.420%0.19643%0.426CS..Hα-helixtrans-84.7-34.9-179.5-65.5-134.262.9-151.1-2.8113.7W224 R225 S226 S230 S231 A232 C243 E248W224-R228 HydrophobicContact CD2-CG 4.4Å; W224-R228 HydrophobicContact CZ2-CG 4.18Å; W224-R228 WeakPolarHBondContact O-CG 3.45Å; W224-R228 PolarHBondContact O-N 3.21Å; R225-R228 CarbonylContact O-C 3.55Å; R225-R228 WeakPolarHBondContact O-CA 3.13Å; R225-R228 WeakPolarHBondContact O-CB 3.32Å; R225-R228 PolarHBondContact O-N 3.18Å; S226-R228 VanDerWaalsContact C-N 3.29Å; S226-R228 PolarHBondContact O-N 3.17Å; R228-S230 VanDerWaalsContact C-N 3.26Å; R228-S230 PolarHBondContact O-N 3.08Å; R228-S231 PolarHBondContact O-N 3.4Å; R228-S231 VanDerWaalsContact O-N 3.12Å; R228-S231 PolarHBondContact O-OG 2.61Å; R228-A232 VanDerWaalsContact O-CB 3.32Å; R228-A232 WeakPolarHBondContact O-CB 3.3Å; R228-A232 PolarHBondContact O-N 3.05Å; R228-C243 PolarHBondContact NH2-O 3.15Å; R228-E248 IonicContact CZ-OE1 2.86Å; R228-E248 IonicContact NE-OE1 3.07Å; R228-E248 PolarHBondContact NE-OE1 2.82Å; R228-E248 IonicContact NE-OE2 3.52Å; R228-E248 IonicContact NH2-OE1 2.77Å
229E66.7Low68.6Low130 Ų13084.8 Ų84.861%0.60745%0.448SS*.Hα-helixtrans-63.2-38.4174-72.9169.8-173.200110.5R225 S231 A232 E233R225-E229 PolarHBondContact O-N 3.36Å; E229-S231 PolarHBondContact O-N 2.87Å; E229-A232 PolarHBondContact O-N 3.12Å; E229-E233 PolarHBondContact O-N 2.99Å
230S58.9Low66.3Low61 Ų6186.5 Ų86.543%0.42746%0.457SS..Hα-helixtrans-65.1-19.4174.579.40000114.7S226 T227 R228S226-S230 PolarHBondContact O-N 3.19Å; T227-S230 PolarHBondContact O-OG 2.76Å; R228-S230 VanDerWaalsContact C-N 3.26Å; R228-S230 PolarHBondContact O-N 3.08Å
231S57.3Low64.6Low28 Ų2890.3 Ų90.320%0.19648%0.475CS..Hα-helixtrans-98.9-38.4178.469.70000112.2R228 E229 E233 K234 E248R228-S231 PolarHBondContact O-N 3.4Å; R228-S231 VanDerWaalsContact O-N 3.12Å; R228-S231 PolarHBondContact O-OG 2.61Å; E229-S231 PolarHBondContact O-N 2.87Å; S231-E233 VanDerWaalsContact C-N 3.33Å; S231-E233 PolarHBondContact O-N 3.49Å; S231-K234 WeakPolarHBondContact O-CB 3.22Å; S231-K234 PolarHBondContact O-N 2.82Å; S231-E248 PolarHBondContact OG-OE1 3.39Å
232A53.8Low63.7Low43 Ų4393.9 Ų93.936%0.35550%0.496SS..Hα-helixtrans-68.5-25.2-176.900000114R228 E229 K234 S235R228-A232 VanDerWaalsContact O-CB 3.32Å; R228-A232 WeakPolarHBondContact O-CB 3.3Å; R228-A232 PolarHBondContact O-N 3.05Å; E229-A232 PolarHBondContact O-N 3.12Å; A232-K234 PolarHBondContact O-N 3.22Å; A232-K234 VanDerWaalsContact O-N 3.15Å; A232-S235 PolarHBondContact O-N 3.43Å
233E51.4Low63.1Low151 Ų15189.6 Ų89.671%0.70648%0.481SS*.THydrogen-bonded Turntrans-60.6-18.8169.7-73.9-177.5162.200112.9E229 S231E229-E233 PolarHBondContact O-N 2.99Å; S231-E233 VanDerWaalsContact C-N 3.33Å; S231-E233 PolarHBondContact O-N 3.49Å
234K49.2Very low62.7Low186 Ų18687.4 Ų87.481%0.80947%0.47SS*.THydrogen-bonded Turntrans-94.2-8.9179.1-62.5179.4179.1176.20114.6S231 A232S231-K234 WeakPolarHBondContact O-CB 3.22Å; S231-K234 PolarHBondContact O-N 2.82Å; A232-K234 PolarHBondContact O-N 3.22Å; A232-K234 VanDerWaalsContact O-N 3.15Å
235S46.7Very low62.6Low83 Ų8389.7 Ų89.758%0.5848%0.482SS*.  trans-128.230.7-169.263.20000114.1A232 G237A232-S235 PolarHBondContact O-N 3.43Å; S235-G237 VanDerWaalsContact C-N 3.31Å; S235-G237 PolarHBondContact O-N 2.86Å
236R42.7Very low62.6Low225 Ų22587.8 Ų87.885%0.84948%0.477SS*.THydrogen-bonded Turntrans-74.482.2171-67.3-172.1-171.8-153.34.1110
237G43.7Very low62.7Low80 Ų8087.1 Ų87.183%0.82547%0.472SS*.THydrogen-bonded Turntrans-169.4-9.5177.500000118.1S235S235-G237 VanDerWaalsContact C-N 3.31Å; S235-G237 PolarHBondContact O-N 2.86Å
238A41.8Very low62.9Low65 Ų6586.9 Ų86.954%0.53747%0.47SS..  trans-134.4132.3-179.200000111.2D240A238-D240 HydrophobicContact CB-CB 4.09Å; A238-D240 WeakPolarHBondContact CB-OD2 3.11Å; A238-D240 PolarHBondContact O-N 3.41Å
239E41.4Very low63.7Low208 Ų20884.4 Ų84.497%0.97246%0.461SS*.  trans-69.437.6166.8-61.9-178.5160.600111.3
240D44.9Very low64.9Low132 Ų13280 Ų8071%0.70644%0.443SS*.  trans-88.6143.4-176.9-79.3-28.5000110.7A238 V242A238-D240 HydrophobicContact CB-CB 4.09Å; A238-D240 WeakPolarHBondContact CB-OD2 3.11Å; A238-D240 PolarHBondContact O-N 3.41Å; D240-V242 PolarHBondContact O-N 3.46Å
241E55.8Low66.6Low82 Ų8282.3 Ų82.338%0.38344%0.442SS..  trans-47.9125173.7-58.6-173.9136.400110.3K6 R9 C243K6-E241 WeakPolarHBondContact CD-OE2 3.2Å; K6-E241 WeakPolarHBondContact CE-OE2 3.3Å; K6-E241 IonicContact NZ-OE2 3.74Å; K6-E241 PolarHBondContact NZ-OE2 3.2Å; R9-E241 IonicContact CZ-OE1 2.74Å; R9-E241 IonicContact NH1-OE1 3.62Å; R9-E241 PolarHBondContact NH1-OE1 2.93Å; R9-E241 IonicContact NH2-OE1 3.78Å; R9-E241 PolarHBondContact NH2-OE1 3.06Å; R9-E241 IonicContact NH2-OE2 2.69Å; E241-C243 PolarHBondContact O-N 3.28Å
242V69.8Low68.4Low84 Ų8481 Ų8151%0.50943%0.433SS..  trans-52.6103.8-177.3-179.60000110.3A7 D240A7-V242 HydrophobicContact CB-CG1 4.5Å; A7-V242 VanDerWaalsContact CB-O 3.26Å; A7-V242 WeakPolarHBondContact CB-O 3.3Å; A7-V242 PolarHBondContact N-O 3.35Å; D240-V242 PolarHBondContact O-N 3.46Å
243C78.6Confident70.4Confident47 Ų4779 Ų7932%0.31842%0.416SS..EExtended strand (participates in β ladder)trans-92.1141.4177.6-162.40000109.3C4 R5 R228 E241C4-C243 VanDerWaalsContact C-SG 3.6Å; C4-C243 WeakPolarHBondContact CB-SG 3.35Å; C4-C243 WeakPolarHBondContact SG-CB 3.3Å; C4-C243 CovalentContact SG-SG 2.02Å; C4-C243 PolarHBondContact SG-SG 2.81Å; R5-C243 VanDerWaalsContact C-SG 3.55Å; R5-C243 PolarHBondContact N-SG 2.89Å; R5-C243 VanDerWaalsContact N-SG 3.39Å; R5-C243 CarbonylContact O-C 3.56Å; R5-C243 WeakPolarHBondContact O-CA 3.38Å; R5-C243 PolarHBondContact O-SG 3Å; R5-C243 VanDerWaalsContact O-SG 3.39Å; R228-C243 PolarHBondContact NH2-O 3.15Å; E241-C243 PolarHBondContact O-N 3.28Å
244I85.1Confident72.6Confident0 Ų076.5 Ų76.50%041%0.405CS..EExtended strand (participates in β ladder)trans-101.6122.2174.9-59.9171.8000106.9C4 R5 A7 W180 L184 W224 E248 V249C4-I244 CarbonylContact C-O 3.55Å; C4-I244 WeakPolarHBondContact CA-O 3.3Å; R5-I244 PolarHBondContact N-O 2.96Å; R5-I244 PolarHBondContact O-N 3.01Å; A7-I244 HydrophobicContact CB-CD1 4.05Å; A7-I244 HydrophobicContact CB-CG1 4.24Å; W180-I244 HydrophobicContact CH2-CG2 4.17Å; W180-I244 VanDerWaalsContact CH2-O 3.31Å; W180-I244 WeakPolarHBondContact CH2-O 3.06Å; W180-I244 HydrophobicContact CZ3-CB 4.08Å; W180-I244 HydrophobicContact CZ3-CG2 3.64Å; L184-I244 HydrophobicContact CD2-CD1 3.81Å; W224-I244 HydrophobicContact CH2-CG2 3.57Å; W224-I244 HydrophobicContact CZ2-CD1 4.06Å; W224-I244 HydrophobicContact CZ2-CG1 4.26Å; W224-I244 HydrophobicContact CZ2-CG2 3.83Å; I244-E248 WeakPolarHBondContact CA-OE2 3.45Å; I244-V249 HydrophobicContact CG2-CG2 3.86Å
245D87.3Confident74.8Confident49 Ų4968.7 Ų68.726%0.26238%0.376SS..EExtended strand (participates in β ladder)trans-91.1149.7178.9-174.8-89.3000111.7I3 S247 E248 V249I3-D245 CarbonylContact O-C 3.56Å; I3-D245 WeakPolarHBondContact O-CA 3.31Å; D245-S247 PolarHBondContact O-N 3.46Å; D245-S247 WeakPolarHBondContact OD1-CA 3.32Å; D245-S247 WeakPolarHBondContact OD1-CB 3.36Å; D245-S247 PolarHBondContact OD1-N 2.61Å; D245-S247 PolarHBondContact OD1-OG 3.01Å; D245-E248 HydrophobicContact CB-CG 4.33Å; D245-E248 PolarHBondContact N-OE2 2.61Å; D245-E248 WeakPolarHBondContact O-CB 3.25Å; D245-E248 PolarHBondContact O-N 3.26Å; D245-V249 PolarHBondContact O-N 2.93Å
246F88Confident77.1Confident69 Ų6964.9 Ų64.930%0.30335%0.35SS..Hα-helixtrans-59.6-31.3178.9-174.6-125.3000113I3 T176 W180 E248 V249 T250I3-F246 PolarHBondContact O-N 3.24Å; T176-F246 HydrophobicContact CG2-CD2 4.37Å; T176-F246 HydrophobicContact CG2-CE2 3.57Å; T176-F246 HydrophobicContact CG2-CZ 3.89Å; W180-F246 AromaticContact CE2-CD2 3.63Å; W180-F246 HydrophobicContact CH2-CB 4.5Å; W180-F246 VanDerWaalsContact CZ2-CA 3.44Å; W180-F246 HydrophobicContact CZ2-CB 3.68Å; W180-F246 AromaticContact CZ2-CD2 3.71Å; W180-F246 HydrophobicContact CZ2-CD2 3.71Å; W180-F246 HydrophobicContact CZ2-CG 4.16Å; W180-F246 AromaticContact NE1-CD2 3.28Å; W180-F246 VanDerWaalsContact NE1-CD2 3.28Å; W180-F246 AromaticContact NE1-CE2 3.74Å; F246-E248 VanDerWaalsContact C-N 3.33Å; F246-V249 HydrophobicContact CD2-CB 4.43Å; F246-V249 PolarHBondContact O-N 3.49Å; F246-T250 WeakPolarHBondContact O-CB 3.26Å; F246-T250 PolarHBondContact O-N 3.24Å; F246-T250 PolarHBondContact O-OG1 2.93Å
247S90Very high79.6Confident43 Ų4355.5 Ų55.530%0.30132%0.316SS..Hα-helixtrans-66.8-33.417571.10000112.4D245 T250 R251D245-S247 PolarHBondContact O-N 3.46Å; D245-S247 WeakPolarHBondContact OD1-CA 3.32Å; D245-S247 WeakPolarHBondContact OD1-CB 3.36Å; D245-S247 PolarHBondContact OD1-N 2.61Å; D245-S247 PolarHBondContact OD1-OG 3.01Å; S247-T250 PolarHBondContact O-N 2.91Å; S247-R251 WeakPolarHBondContact O-CB 3.23Å; S247-R251 VanDerWaalsContact O-CG 3.27Å; S247-R251 WeakPolarHBondContact O-CG 3.36Å; S247-R251 PolarHBondContact O-N 3.1Å; S247-R251 PolarHBondContact O-NH1 3.03Å; S247-R251 PolarHBondContact OG-NH1 2.99Å
248E90.9Very high82.1Confident7 Ų754.3 Ų54.33%0.03330%0.295CS..Hα-helixtrans-66.2-46.6173-62.9177.1115.400110.2W224 R228 S231 I244 D245 F246 T250 R251 F252W224-E248 HydrophobicContact CH2-CB 4.18Å; W224-E248 HydrophobicContact CZ3-CB 4.42Å; R228-E248 IonicContact CZ-OE1 2.86Å; R228-E248 IonicContact NE-OE1 3.07Å; R228-E248 PolarHBondContact NE-OE1 2.82Å; R228-E248 IonicContact NE-OE2 3.52Å; R228-E248 IonicContact NH2-OE1 2.77Å; S231-E248 PolarHBondContact OG-OE1 3.39Å; I244-E248 WeakPolarHBondContact CA-OE2 3.45Å; D245-E248 HydrophobicContact CB-CG 4.33Å; D245-E248 PolarHBondContact N-OE2 2.61Å; D245-E248 WeakPolarHBondContact O-CB 3.25Å; D245-E248 PolarHBondContact O-N 3.26Å; F246-E248 VanDerWaalsContact C-N 3.33Å; E248-T250 VanDerWaalsContact C-N 3.31Å; E248-T250 PolarHBondContact O-N 3.3Å; E248-R251 PolarHBondContact O-N 2.83Å; E248-F252 WeakPolarHBondContact O-CB 3.33Å; E248-F252 PolarHBondContact O-N 3.3Å
249V92.9Very high84.7Confident0 Ų055.4 Ų55.40%029%0.289CS..Hα-helixtrans-58.3-44.1175.1178.10000111.3Q179 W180 A183 W224 I244 D245 F246 F252 M253Q179-V249 HydrophobicContact CB-CG1 3.89Å; W180-V249 HydrophobicContact CD2-CG1 4.39Å; W180-V249 HydrophobicContact CD2-CG2 3.86Å; W180-V249 HydrophobicContact CE3-CG2 3.53Å; W180-V249 HydrophobicContact CH2-CG2 3.7Å; W180-V249 HydrophobicContact CZ2-CG2 4.04Å; W180-V249 HydrophobicContact CZ3-CG2 3.44Å; W180-V249 VanDerWaalsContact CZ3-CG2 3.44Å; A183-V249 HydrophobicContact CB-CB 4.38Å; A183-V249 HydrophobicContact CB-CG1 4.08Å; A183-V249 HydrophobicContact CB-CG2 3.84Å; W224-V249 HydrophobicContact CH2-CG2 4.27Å; I244-V249 HydrophobicContact CG2-CG2 3.86Å; D245-V249 PolarHBondContact O-N 2.93Å; F246-V249 HydrophobicContact CD2-CB 4.43Å; F246-V249 PolarHBondContact O-N 3.49Å; V249-F252 PolarHBondContact O-N 2.77Å; V249-M253 VanDerWaalsContact O-CG 3.29Å; V249-M253 WeakPolarHBondContact O-CG 3.42Å; V249-M253 PolarHBondContact O-N 2.76Å
250T93.2Very high87.3Confident37 Ų3746.2 Ų46.223%0.22725%0.246CC..Hα-helixtrans-63.8-45.7179.1-590000111.3F246 S247 E248 F252 M253 Q254F246-T250 WeakPolarHBondContact O-CB 3.26Å; F246-T250 PolarHBondContact O-N 3.24Å; F246-T250 PolarHBondContact O-OG1 2.93Å; S247-T250 PolarHBondContact O-N 2.91Å; E248-T250 VanDerWaalsContact C-N 3.31Å; E248-T250 PolarHBondContact O-N 3.3Å; T250-F252 VanDerWaalsContact C-N 3.35Å; T250-F252 PolarHBondContact O-N 2.99Å; T250-M253 PolarHBondContact O-N 2.89Å; T250-Q254 HydrophobicContact CG2-CG 4.42Å; T250-Q254 WeakPolarHBondContact O-CB 3.48Å; T250-Q254 VanDerWaalsContact O-CG 3.26Å; T250-Q254 WeakPolarHBondContact O-CG 3.34Å; T250-Q254 PolarHBondContact O-N 3.07Å
251R94.4Very high89.8Confident110 Ų11045.1 Ų45.142%0.41523%0.232SC..Hα-helixtrans-62.1-41.6177-74.6178.7-164.8101.44.5111.9T227 S247 E248 Q254 G255T227-R251 HydrophobicContact CG2-CB 4.11Å; S247-R251 WeakPolarHBondContact O-CB 3.23Å; S247-R251 VanDerWaalsContact O-CG 3.27Å; S247-R251 WeakPolarHBondContact O-CG 3.36Å; S247-R251 PolarHBondContact O-N 3.1Å; S247-R251 PolarHBondContact O-NH1 3.03Å; S247-R251 PolarHBondContact OG-NH1 2.99Å; E248-R251 PolarHBondContact O-N 2.83Å; R251-Q254 PolarHBondContact O-N 3.34Å; R251-G255 PolarHBondContact O-N 2.76Å
252F95.4Very high91.7Very high0 Ų049.7 Ų49.70%025%0.246CC..Hα-helixtrans-59.2-50.1175.8172.2-117.7000111.8A183 T186 L197 A220 L223 W224 T227 E248 V249 T250 Q254 G255 L256A183-F252 HydrophobicContact CB-CD1 4.08Å; A183-F252 HydrophobicContact CB-CE1 4.44Å; T186-F252 HydrophobicContact CG2-CE2 4.5Å; T186-F252 HydrophobicContact CG2-CZ 4.14Å; L197-F252 HydrophobicContact CD2-CE1 4.48Å; L197-F252 HydrophobicContact CD2-CZ 4.16Å; A220-F252 WeakPolarHBondContact O-CE2 3.39Å; L223-F252 HydrophobicContact CB-CD2 4.49Å; L223-F252 HydrophobicContact CB-CE2 4.35Å; L223-F252 HydrophobicContact CD2-CD2 3.97Å; L223-F252 HydrophobicContact CD2-CE2 4Å; L223-F252 HydrophobicContact CG-CD2 3.97Å; L223-F252 HydrophobicContact CG-CE2 4.2Å; W224-F252 HydrophobicContact CB-CD2 4.08Å; W224-F252 HydrophobicContact CB-CE2 4.01Å; W224-F252 HydrophobicContact CE3-CB 3.58Å; W224-F252 AromaticContact CE3-CD1 3.99Å; W224-F252 HydrophobicContact CE3-CD1 3.99Å; W224-F252 AromaticContact CE3-CD2 3.87Å; W224-F252 HydrophobicContact CE3-CD2 3.87Å; W224-F252 AromaticContact CE3-CG 3.54Å; W224-F252 HydrophobicContact CE3-CG 3.54Å; W224-F252 HydrophobicContact CZ3-CB 3.69Å; W224-F252 HydrophobicContact CZ3-CD1 4.32Å; W224-F252 HydrophobicContact CZ3-CG 4.04Å; T227-F252 HydrophobicContact CG2-CB 4.36Å; E248-F252 WeakPolarHBondContact O-CB 3.33Å; E248-F252 PolarHBondContact O-N 3.3Å; V249-F252 PolarHBondContact O-N 2.77Å; T250-F252 VanDerWaalsContact C-N 3.35Å; T250-F252 PolarHBondContact O-N 2.99Å; F252-Q254 VanDerWaalsContact C-N 3.34Å; F252-Q254 PolarHBondContact O-N 3.43Å; F252-G255 PolarHBondContact O-N 2.83Å; F252-G255 VanDerWaalsContact O-N 3.17Å; F252-L256 HydrophobicContact CD1-CD1 4.27Å; F252-L256 HydrophobicContact CE1-CD1 3.76Å; F252-L256 HydrophobicContact CE2-CD1 4.03Å; F252-L256 HydrophobicContact CE2-CG 4.25Å; F252-L256 HydrophobicContact CZ-CD1 3.62Å; F252-L256 HydrophobicContact CZ-CG 4.33Å; F252-L256 PolarHBondContact O-N 2.88Å
253M96.3Very high93Very high1 Ų151.6 Ų51.61%0.00525%0.249CC..Hα-helixtrans-63.7-39.4177.9-66-61.2-50.800112.1Q179 A182 M199 W201 V249 T250 G255 L256 M257 L273Q179-M253 HydrophobicContact CB-CG 3.81Å; Q179-M253 HydrophobicContact CB-SD 4.3Å; Q179-M253 HydrophobicContact CG-CB 4.5Å; Q179-M253 HydrophobicContact CG-CE 4.12Å; Q179-M253 HydrophobicContact CG-CG 3.71Å; Q179-M253 HydrophobicContact CG-SD 4.21Å; A182-M253 HydrophobicContact CB-SD 3.93Å; M199-M253 HydrophobicContact SD-CE 3.97Å; W201-M253 HydrophobicContact CZ2-CE 4.21Å; V249-M253 VanDerWaalsContact O-CG 3.29Å; V249-M253 WeakPolarHBondContact O-CG 3.42Å; V249-M253 PolarHBondContact O-N 2.76Å; T250-M253 PolarHBondContact O-N 2.89Å; M253-G255 VanDerWaalsContact C-N 3.34Å; M253-L256 PolarHBondContact O-N 3.44Å; M253-L256 HydrophobicContact SD-CD1 4.15Å; M253-M257 WeakPolarHBondContact O-CE 3.25Å; M253-M257 WeakPolarHBondContact O-CG 3.48Å; M253-M257 PolarHBondContact O-N 2.74Å; M253-L273 HydrophobicContact CE-CD2 4.01Å
254Q95.6Very high93.8Very high99 Ų9955.2 Ų55.246%0.46326%0.26SS..Hα-helixtrans-63.2-38.5173.8-75.4173.4-10.600112.4T250 R251 F252 M257 S258T250-Q254 HydrophobicContact CG2-CG 4.42Å; T250-Q254 WeakPolarHBondContact O-CB 3.48Å; T250-Q254 VanDerWaalsContact O-CG 3.26Å; T250-Q254 WeakPolarHBondContact O-CG 3.34Å; T250-Q254 PolarHBondContact O-N 3.07Å; R251-Q254 PolarHBondContact O-N 3.34Å; F252-Q254 VanDerWaalsContact C-N 3.34Å; F252-Q254 PolarHBondContact O-N 3.43Å; Q254-M257 HydrophobicContact CG-CE 4.12Å; Q254-M257 PolarHBondContact O-N 2.97Å; Q254-S258 WeakPolarHBondContact O-CB 3.5Å; Q254-S258 PolarHBondContact O-N 3.34Å; Q254-S258 PolarHBondContact O-OG 2.85Å
255G95.7Very high94.3Very high21 Ų2163.2 Ų63.222%0.21629%0.29CS..Hα-helixtrans-59.8-47.117400000111.8R251 F252 M253 S258 H259R251-G255 PolarHBondContact O-N 2.76Å; F252-G255 PolarHBondContact O-N 2.83Å; F252-G255 VanDerWaalsContact O-N 3.17Å; M253-G255 VanDerWaalsContact C-N 3.34Å; G255-S258 PolarHBondContact O-N 3.12Å; G255-H259 WeakPolarHBondContact O-CB 3.2Å; G255-H259 PolarHBondContact O-N 2.99Å
256L96Very high94.7Very high4 Ų463 Ų632%0.02129%0.29CS..Hα-helixtrans-60.8-48.2176.2-68.7171.8000112.1L197 M199 Y213 V215 L223 F252 M253 H259 F260L197-L256 HydrophobicContact CD2-CD1 4.25Å; M199-L256 HydrophobicContact CE-CD1 3.89Å; M199-L256 HydrophobicContact CE-CD2 4.45Å; M199-L256 HydrophobicContact SD-CD1 3.92Å; Y213-L256 HydrophobicContact CE1-CB 4.18Å; Y213-L256 HydrophobicContact CE1-CD2 4.49Å; Y213-L256 WeakPolarHBondContact CE1-O 3.29Å; V215-L256 HydrophobicContact CG2-CD2 4.08Å; L223-L256 HydrophobicContact CD2-CD2 3.65Å; L223-L256 HydrophobicContact CD2-CG 3.69Å; F252-L256 HydrophobicContact CD1-CD1 4.27Å; F252-L256 HydrophobicContact CE1-CD1 3.76Å; F252-L256 HydrophobicContact CE2-CD1 4.03Å; F252-L256 HydrophobicContact CE2-CG 4.25Å; F252-L256 HydrophobicContact CZ-CD1 3.62Å; F252-L256 HydrophobicContact CZ-CG 4.33Å; F252-L256 PolarHBondContact O-N 2.88Å; M253-L256 PolarHBondContact O-N 3.44Å; M253-L256 HydrophobicContact SD-CD1 4.15Å; L256-H259 PolarHBondContact O-N 2.92Å; L256-F260 PolarHBondContact O-N 2.96Å
257M96Very high95Very high27 Ų2763.4 Ų63.413%0.13330%0.296CS..Hα-helixtrans-64.3-41.5178.5-67.8-176.6-65.700111.9W201 M253 Q254 F260 Y261 L268W201-M257 HydrophobicContact CH2-CG 4.44Å; W201-M257 HydrophobicContact CH2-SD 3.55Å; W201-M257 VanDerWaalsContact CH2-SD 3.55Å; W201-M257 HydrophobicContact CZ2-CG 4.15Å; W201-M257 HydrophobicContact CZ2-SD 3.85Å; W201-M257 HydrophobicContact CZ3-SD 4.37Å; M253-M257 WeakPolarHBondContact O-CE 3.25Å; M253-M257 WeakPolarHBondContact O-CG 3.48Å; M253-M257 PolarHBondContact O-N 2.74Å; Q254-M257 HydrophobicContact CG-CE 4.12Å; Q254-M257 PolarHBondContact O-N 2.97Å; M257-F260 PolarHBondContact O-N 2.85Å; M257-Y261 PolarHBondContact O-N 3.17Å; M257-L268 HydrophobicContact CB-CB 4.44Å; M257-L268 HydrophobicContact CG-CB 4.01Å; M257-L268 HydrophobicContact SD-CB 4.4Å
258S95.7Very high95.2Very high56 Ų5661.3 Ų61.339%0.39228%0.281SS..Hα-helixtrans-64.6-41.8177.6-62.20000111.7Q254 G255 F260 Y261 R262Q254-S258 WeakPolarHBondContact O-CB 3.5Å; Q254-S258 PolarHBondContact O-N 3.34Å; Q254-S258 PolarHBondContact O-OG 2.85Å; G255-S258 PolarHBondContact O-N 3.12Å; S258-F260 VanDerWaalsContact C-N 3.35Å; S258-Y261 PolarHBondContact O-N 2.89Å; S258-R262 WeakPolarHBondContact O-CB 3.26Å; S258-R262 VanDerWaalsContact O-CG 3.26Å; S258-R262 WeakPolarHBondContact O-CG 2.95Å; S258-R262 PolarHBondContact O-N 3.2Å
259H95.3Very high95.3Very high87 Ų8764.5 Ų64.540%0.40330%0.304SS..Hα-helixtrans-59.1-46.5173.7172-87.4000111.1Y213 G255 L256 R262 H263Y213-H259 AromaticContact CZ-ND1 3.87Å; Y213-H259 PolarHBondContact OH-ND1 3.24Å; G255-H259 WeakPolarHBondContact O-CB 3.2Å; G255-H259 PolarHBondContact O-N 2.99Å; L256-H259 PolarHBondContact O-N 2.92Å; H259-R262 PolarHBondContact O-N 3.16Å; H259-H263 AromaticContact CD2-CE1 3.53Å; H259-H263 AromaticContact CD2-ND1 3.79Å; H259-H263 AromaticContact CE1-CE1 3.87Å; H259-H263 AromaticContact CE1-ND1 3.74Å; H259-H263 AromaticContact NE2-CE1 3.21Å; H259-H263 PolarHBondContact NE2-CE1 2.78Å; H259-H263 AromaticContact NE2-ND1 3.52Å; H259-H263 PolarHBondContact O-N 3.42Å; H259-H263 PolarHBondContact O-ND1 3.47Å
260F96.3Very high95.3Very high16 Ų1667.3 Ų67.37%0.0733%0.328CS..Hα-helixtrans-61.2-47.6177.5-166.4-94.5000112V211 Y213 L256 M257 S258 R262 H263 F264 V266 L268V211-F260 HydrophobicContact CG1-CE1 3.95Å; V211-F260 HydrophobicContact CG1-CE2 4.16Å; V211-F260 HydrophobicContact CG1-CZ 3.43Å; V211-F260 VanDerWaalsContact CG1-CZ 3.43Å; Y213-F260 HydrophobicContact CD1-CB 4.35Å; Y213-F260 AromaticContact CD1-CD2 3.92Å; Y213-F260 HydrophobicContact CD1-CD2 3.92Å; Y213-F260 HydrophobicContact CD1-CG 4.41Å; Y213-F260 AromaticContact CD2-CD2 3.53Å; Y213-F260 HydrophobicContact CD2-CD2 3.53Å; Y213-F260 AromaticContact CD2-CE2 3.89Å; Y213-F260 HydrophobicContact CD2-CE2 3.89Å; Y213-F260 HydrophobicContact CE1-CB 4.07Å; Y213-F260 HydrophobicContact CE1-CD2 4.17Å; Y213-F260 AromaticContact CE2-CD2 3.83Å; Y213-F260 HydrophobicContact CE2-CD2 3.83Å; Y213-F260 AromaticContact CG-CD2 3.61Å; Y213-F260 HydrophobicContact CG-CD2 3.61Å; Y213-F260 HydrophobicContact CG-CE2 4Å; Y213-F260 HydrophobicContact CG-CG 4.49Å; L256-F260 PolarHBondContact O-N 2.96Å; M257-F260 PolarHBondContact O-N 2.85Å; S258-F260 VanDerWaalsContact C-N 3.35Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 2.63Å; F260-H263 PolarHBondContact O-N 3.24Å; F260-F264 HydrophobicContact CD1-CB 4.4Å; F260-F264 HydrophobicContact CD1-CD2 4.16Å; F260-F264 AromaticContact CD2-CD2 3.55Å; F260-F264 HydrophobicContact CD2-CD2 3.55Å; F260-F264 AromaticContact CD2-CE2 3.83Å; F260-F264 HydrophobicContact CD2-CE2 3.83Å; F260-F264 HydrophobicContact CE1-CB 4.1Å; F260-F264 HydrophobicContact CE1-CD2 4.12Å; F260-F264 HydrophobicContact CE1-CG 4.38Å; F260-F264 AromaticContact CE2-CD2 3.49Å; F260-F264 HydrophobicContact CE2-CD2 3.49Å; F260-F264 VanDerWaalsContact CE2-CD2 3.49Å; F260-F264 AromaticContact CE2-CE2 3.74Å; F260-F264 HydrophobicContact CE2-CE2 3.74Å; F260-F264 HydrophobicContact CE2-CG 4.27Å; F260-F264 AromaticContact CG-CD2 3.89Å; F260-F264 HydrophobicContact CG-CD2 3.89Å; F260-F264 HydrophobicContact CZ-CB 4.3Å; F260-F264 AromaticContact CZ-CD2 3.78Å; F260-F264 HydrophobicContact CZ-CD2 3.78Å; F260-F264 HydrophobicContact CZ-CE2 4.41Å; F260-F264 HydrophobicContact CZ-CG 4.13Å; F260-F264 WeakPolarHBondContact O-CD2 3.45Å; F260-F264 PolarHBondContact O-N 2.68Å; F260-V266 HydrophobicContact CD1-CB 4.33Å; F260-V266 HydrophobicContact CE1-CB 3.82Å; F260-V266 HydrophobicContact CE1-CG1 4.02Å; F260-L268 HydrophobicContact CB-CD1 3.87Å; F260-L268 HydrophobicContact CB-CG 4.49Å; F260-L268 HydrophobicContact CD1-CD1 3.65Å; F260-L268 HydrophobicContact CD1-CD2 4.02Å; F260-L268 HydrophobicContact CD1-CG 3.6Å; F260-L268 HydrophobicContact CD2-CD1 4.29Å; F260-L268 HydrophobicContact CE1-CD1 4.24Å; F260-L268 HydrophobicContact CE1-CD2 3.93Å; F260-L268 HydrophobicContact CE1-CG 4.05Å; F260-L268 HydrophobicContact CG-CD1 3.67Å; F260-L268 HydrophobicContact CG-CG 4.15Å
261Y97Very high95.3Very high109 Ų10966 Ų6643%0.42732%0.321SS..Hα-helixtrans-61.7-38.2178.3179-104.2000112.7M257 S258 H263 R265 D267M257-Y261 PolarHBondContact O-N 3.17Å; S258-Y261 PolarHBondContact O-N 2.89Å; Y261-H263 VanDerWaalsContact C-N 3.25Å; Y261-H263 PolarHBondContact O-N 3.25Å; Y261-R265 VanDerWaalsContact O-CA 3.27Å; Y261-R265 WeakPolarHBondContact O-CA 3.39Å; Y261-R265 PolarHBondContact O-N 2.88Å; Y261-R265 PolarHBondContact O-NH1 2.95Å; Y261-D267 HydrophobicContact CD2-CB 4.21Å; Y261-D267 HydrophobicContact CE2-CB 4.48Å
262R96.7Very high95.3Very high177 Ų17765.8 Ų65.867%0.66833%0.325SS*.Hα-helixtrans-60.3-35.7178.5-79.1174.8-175.9176.52.8112.9S258 H259 F260 R265S258-R262 WeakPolarHBondContact O-CB 3.26Å; S258-R262 VanDerWaalsContact O-CG 3.26Å; S258-R262 WeakPolarHBondContact O-CG 2.95Å; S258-R262 PolarHBondContact O-N 3.2Å; H259-R262 PolarHBondContact O-N 3.16Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 2.63Å; R262-R265 PolarHBondContact O-NH1 3.28Å
263H96.3Very high95.4Very high124 Ų12465.8 Ų65.857%0.57433%0.325SS*.Hα-helixtrans-91.8-41.9-177-67.890.7000113.1H259 F260 Y261H259-H263 AromaticContact CD2-CE1 3.53Å; H259-H263 AromaticContact CD2-ND1 3.79Å; H259-H263 AromaticContact CE1-CE1 3.87Å; H259-H263 AromaticContact CE1-ND1 3.74Å; H259-H263 AromaticContact NE2-CE1 3.21Å; H259-H263 PolarHBondContact NE2-CE1 2.78Å; H259-H263 AromaticContact NE2-ND1 3.52Å; H259-H263 PolarHBondContact O-N 3.42Å; H259-H263 PolarHBondContact O-ND1 3.47Å; F260-H263 PolarHBondContact O-N 3.24Å; Y261-H263 VanDerWaalsContact C-N 3.25Å; Y261-H263 PolarHBondContact O-N 3.25Å
264F95.9Very high95.3Very high124 Ų12467.5 Ų67.554%0.54433%0.334SS..Hα-helixtrans-107.5-10-169.9-58.9-72.8000114.1F260 V266F260-F264 HydrophobicContact CD1-CB 4.4Å; F260-F264 HydrophobicContact CD1-CD2 4.16Å; F260-F264 AromaticContact CD2-CD2 3.55Å; F260-F264 HydrophobicContact CD2-CD2 3.55Å; F260-F264 AromaticContact CD2-CE2 3.83Å; F260-F264 HydrophobicContact CD2-CE2 3.83Å; F260-F264 HydrophobicContact CE1-CB 4.1Å; F260-F264 HydrophobicContact CE1-CD2 4.12Å; F260-F264 HydrophobicContact CE1-CG 4.38Å; F260-F264 AromaticContact CE2-CD2 3.49Å; F260-F264 HydrophobicContact CE2-CD2 3.49Å; F260-F264 VanDerWaalsContact CE2-CD2 3.49Å; F260-F264 AromaticContact CE2-CE2 3.74Å; F260-F264 HydrophobicContact CE2-CE2 3.74Å; F260-F264 HydrophobicContact CE2-CG 4.27Å; F260-F264 AromaticContact CG-CD2 3.89Å; F260-F264 HydrophobicContact CG-CD2 3.89Å; F260-F264 HydrophobicContact CZ-CB 4.3Å; F260-F264 AromaticContact CZ-CD2 3.78Å; F260-F264 HydrophobicContact CZ-CD2 3.78Å; F260-F264 HydrophobicContact CZ-CE2 4.41Å; F260-F264 HydrophobicContact CZ-CG 4.13Å; F260-F264 WeakPolarHBondContact O-CD2 3.45Å; F260-F264 PolarHBondContact O-N 2.68Å; F264-V266 HydrophobicContact CB-CG2 4.46Å; F264-V266 PolarHBondContact O-N 3.3Å
265R95.6Very high95.4Very high167 Ų16764.6 Ų64.663%0.6332%0.321SS*.  trans56.226.7-175-56.4-63.8179.4-139.4-2.1113.9Y261 R262Y261-R265 VanDerWaalsContact O-CA 3.27Å; Y261-R265 WeakPolarHBondContact O-CA 3.39Å; Y261-R265 PolarHBondContact O-N 2.88Å; Y261-R265 PolarHBondContact O-NH1 2.95Å; R262-R265 PolarHBondContact O-NH1 3.28Å
266V94.8Very high95.4Very high45 Ų4563.6 Ų63.627%0.27331%0.31SS..  trans-108.8121174.5173.30000108.4L203 F260 F264 L268L203-V266 HydrophobicContact CD1-CG1 3.52Å; F260-V266 HydrophobicContact CD1-CB 4.33Å; F260-V266 HydrophobicContact CE1-CB 3.82Å; F260-V266 HydrophobicContact CE1-CG1 4.02Å; F264-V266 HydrophobicContact CB-CG2 4.46Å; F264-V266 PolarHBondContact O-N 3.3Å; V266-L268 HydrophobicContact CG1-CD2 4.46Å; V266-L268 PolarHBondContact O-N 3.31Å
267D94.5Very high95.4Very high77 Ų7764.2 Ų64.241%0.41232%0.315SS..  trans-85.1101.4179.4-174.91.5000110.6L203 Y261 S269 A270L203-D267 WeakPolarHBondContact CD2-O 3.37Å; Y261-D267 HydrophobicContact CD2-CB 4.21Å; Y261-D267 HydrophobicContact CE2-CB 4.48Å; D267-S269 VanDerWaalsContact CG-OG 3.27Å; D267-S269 PolarHBondContact O-N 3.17Å; D267-S269 VanDerWaalsContact OD1-CB 3.3Å; D267-S269 WeakPolarHBondContact OD1-CB 3.47Å; D267-S269 PolarHBondContact OD1-N 3.24Å; D267-S269 PolarHBondContact OD1-OG 3.35Å; D267-S269 PolarHBondContact OD2-OG 3.17Å; D267-A270 PolarHBondContact O-N 3.44Å
268L95.3Very high95.2Very high0 Ų063.8 Ų63.80%032%0.315CS..G310 helixtrans-67.2-24177-66.9-178.3000113.1W201 V211 Y213 M257 F260 V266 A270 G271W201-L268 HydrophobicContact CB-CD2 4.03Å; W201-L268 HydrophobicContact CD2-CB 4.23Å; W201-L268 HydrophobicContact CE3-CB 4.44Å; W201-L268 VanDerWaalsContact CE3-O 3.25Å; W201-L268 HydrophobicContact CG-CD1 4.46Å; W201-L268 HydrophobicContact CG-CD2 4.01Å; W201-L268 VanDerWaalsContact CZ3-O 3.25Å; W201-L268 WeakPolarHBondContact CZ3-O 3.48Å; V211-L268 HydrophobicContact CB-CD2 4.13Å; V211-L268 HydrophobicContact CG1-CD2 4Å; V211-L268 HydrophobicContact CG2-CD2 4.37Å; Y213-L268 HydrophobicContact CD1-CD1 4.13Å; M257-L268 HydrophobicContact CB-CB 4.44Å; M257-L268 HydrophobicContact CG-CB 4.01Å; M257-L268 HydrophobicContact SD-CB 4.4Å; F260-L268 HydrophobicContact CB-CD1 3.87Å; F260-L268 HydrophobicContact CB-CG 4.49Å; F260-L268 HydrophobicContact CD1-CD1 3.65Å; F260-L268 HydrophobicContact CD1-CD2 4.02Å; F260-L268 HydrophobicContact CD1-CG 3.6Å; F260-L268 HydrophobicContact CD2-CD1 4.29Å; F260-L268 HydrophobicContact CE1-CD1 4.24Å; F260-L268 HydrophobicContact CE1-CD2 3.93Å; F260-L268 HydrophobicContact CE1-CG 4.05Å; F260-L268 HydrophobicContact CG-CD1 3.67Å; F260-L268 HydrophobicContact CG-CG 4.15Å; V266-L268 HydrophobicContact CG1-CD2 4.46Å; V266-L268 PolarHBondContact O-N 3.31Å; L268-A270 PolarHBondContact O-N 2.85Å; L268-G271 PolarHBondContact O-N 3.43Å
269S92.7Very high94.8Very high74 Ų7463.5 Ų63.552%0.51732%0.315SS..G310 helixtrans-68.9-18.6-177.7750000113.1D267 G271D267-S269 VanDerWaalsContact CG-OG 3.27Å; D267-S269 PolarHBondContact O-N 3.17Å; D267-S269 VanDerWaalsContact OD1-CB 3.3Å; D267-S269 WeakPolarHBondContact OD1-CB 3.47Å; D267-S269 PolarHBondContact OD1-N 3.24Å; D267-S269 PolarHBondContact OD1-OG 3.35Å; D267-S269 PolarHBondContact OD2-OG 3.17Å; S269-G271 PolarHBondContact O-N 3.37Å
270A93Very high94.4Very high59 Ų5959.4 Ų59.449%0.48830%0.296SS..G310 helixtrans-75.9-9.4172.600000113.6P204 D267 L268P204-A270 WeakPolarHBondContact CD-O 3.47Å; P204-A270 VanDerWaalsContact CG-O 3.3Å; P204-A270 WeakPolarHBondContact CG-O 3.2Å; D267-A270 PolarHBondContact O-N 3.44Å; L268-A270 PolarHBondContact O-N 2.85Å
271G93.3Very high94.2Very high9 Ų958.8 Ų58.89%0.09329%0.294CS..SBendtrans-112-175-179.100000114.6W201 T202 L268 S269W201-G271 WeakPolarHBondContact CZ3-O 3.35Å; T202-G271 VanDerWaalsContact O-CA 3.22Å; T202-G271 WeakPolarHBondContact O-CA 3.34Å; L268-G271 PolarHBondContact O-N 3.43Å; S269-G271 PolarHBondContact O-N 3.37Å
272E94.5Very high94.1Very high106 Ų10654.3 Ų54.350%0.49528%0.279SS..EExtended strand (participates in β ladder)trans-107.3133.4175.2-66.6-173.9169.400110.8W201 T202 N274W201-E272 CarbonylContact C-O 3.54Å; W201-E272 VanDerWaalsContact CA-O 3.26Å; W201-E272 WeakPolarHBondContact CA-O 3.29Å; T202-E272 PolarHBondContact N-O 2.95Å; T202-E272 PolarHBondContact O-N 2.75Å; E272-N274 PolarHBondContact O-N 2.54Å; E272-N274 PolarHBondContact O-OD1 3.32Å
273L96.5Very high94.1Very high0 Ų045.9 Ų45.90%025%0.248CC..EExtended strand (participates in β ladder)trans-75.2110.6168.2177.562.4000108Q175 L178 Q179 M199 W201 M253 Q275 V276Q175-L273 HydrophobicContact CG-CB 4.16Å; L178-L273 HydrophobicContact CB-CD2 3.74Å; L178-L273 HydrophobicContact CB-CG 4.16Å; L178-L273 HydrophobicContact CD1-CG 4.19Å; L178-L273 WeakPolarHBondContact CD1-O 3.18Å; Q179-L273 HydrophobicContact CG-CD2 4.27Å; M199-L273 HydrophobicContact CB-CD1 3.83Å; M199-L273 HydrophobicContact CG-CD1 4.23Å; W201-L273 HydrophobicContact CD2-CB 4.04Å; W201-L273 HydrophobicContact CD2-CD1 4.24Å; W201-L273 HydrophobicContact CE3-CB 4.04Å; W201-L273 VanDerWaalsContact CE3-N 3.3Å; W201-L273 HydrophobicContact CG-CD1 4.41Å; W201-L273 HydrophobicContact CH2-CB 3.87Å; W201-L273 HydrophobicContact CZ2-CB 3.85Å; W201-L273 HydrophobicContact CZ2-CD1 4.16Å; W201-L273 HydrophobicContact CZ2-CD2 4.38Å; W201-L273 HydrophobicContact CZ2-CG 4.36Å; W201-L273 HydrophobicContact CZ3-CB 3.96Å; M253-L273 HydrophobicContact CE-CD2 4.01Å; L273-Q275 WeakPolarHBondContact CD1-O 3.35Å; L273-V276 HydrophobicContact CD1-CG2 4.1Å; L273-V276 HydrophobicContact CD2-CG2 3.79Å; L273-V276 HydrophobicContact CG-CG2 4.16Å
274N95.4Very high94.1Very high36 Ų3642.5 Ų42.519%0.19323%0.231CC..EExtended strand (participates in β ladder)trans-95.5-25-176.4-54.9102.4000113.2I200 T202 E272 K284 L285I200-N274 PolarHBondContact O-N 3.32Å; T202-N274 WeakPolarHBondContact CB-OD1 3.45Å; T202-N274 PolarHBondContact N-OD1 2.8Å; T202-N274 PolarHBondContact OG1-OD1 3.22Å; E272-N274 PolarHBondContact O-N 2.54Å; E272-N274 PolarHBondContact O-OD1 3.32Å; N274-K284 CarbonylContact O-C 3.59Å; N274-K284 VanDerWaalsContact O-CA 3.32Å; N274-K284 WeakPolarHBondContact O-CA 3.49Å; N274-L285 PolarHBondContact O-N 3.04Å
275Q97.2Very high94Very high39 Ų3939 Ų3918%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-152.4142.9-178.2178.1178.6-37.300112.2M199 I200 L273 A283 K284M199-Q275 CarbonylContact C-O 3.59Å; M199-Q275 WeakPolarHBondContact CA-O 3.42Å; I200-Q275 HydrophobicContact CB-CB 4.09Å; I200-Q275 HydrophobicContact CD1-CB 4.2Å; I200-Q275 HydrophobicContact CD1-CG 4.37Å; I200-Q275 HydrophobicContact CG1-CB 4.28Å; I200-Q275 PolarHBondContact N-O 2.89Å; I200-Q275 PolarHBondContact O-N 2.83Å; L273-Q275 WeakPolarHBondContact CD1-O 3.35Å; Q275-A283 VanDerWaalsContact CA-O 3.23Å; Q275-A283 WeakPolarHBondContact CA-O 3.46Å; Q275-A283 WeakPolarHBondContact CG-O 3.48Å; Q275-K284 HydrophobicContact CB-CG 4.2Å; Q275-K284 HydrophobicContact CG-CG 3.93Å
276V96.5Very high93.8Very high0 Ų035 Ų350%021%0.209CC..EExtended strand (participates in β ladder)trans-122.4142.6166.2-179.70000108.8L178 A182 W185 L197 K198 M199 L273 S282 A283L178-V276 HydrophobicContact CB-CG2 4.01Å; L178-V276 HydrophobicContact CD2-CB 4.44Å; L178-V276 HydrophobicContact CD2-CG2 4.26Å; A182-V276 HydrophobicContact CB-CG1 3.86Å; A182-V276 HydrophobicContact CB-CG2 4.27Å; W185-V276 HydrophobicContact CE3-CG1 3.83Å; W185-V276 HydrophobicContact CZ3-CB 4.2Å; W185-V276 HydrophobicContact CZ3-CG1 3.77Å; L197-V276 HydrophobicContact CD1-CG1 3.9Å; K198-V276 CarbonylContact O-C 3.43Å; K198-V276 WeakPolarHBondContact O-CA 3.48Å; M199-V276 HydrophobicContact CG-CG2 4.37Å; L273-V276 HydrophobicContact CD1-CG2 4.1Å; L273-V276 HydrophobicContact CD2-CG2 3.79Å; L273-V276 HydrophobicContact CG-CG2 4.16Å; V276-S282 CarbonylContact O-C 3.6Å; V276-S282 VanDerWaalsContact O-CA 3.25Å; V276-S282 WeakPolarHBondContact O-CA 3.37Å; V276-A283 PolarHBondContact N-O 2.89Å; V276-A283 PolarHBondContact O-N 3.38Å
277S94.1Very high93.7Very high16 Ų1632.8 Ų32.811%0.11220%0.196CC..EExtended strand (participates in β ladder)trans-150.5146.6176.546.50000112.6K198 G281K198-S277 WeakPolarHBondContact CB-OG 3.39Å; K198-S277 PolarHBondContact N-O 3.36Å; K198-S277 PolarHBondContact O-N 2.86Å; K198-S277 PolarHBondContact O-OG 3.4Å; S277-G281 CarbonylContact C-O 3.6Å; S277-G281 VanDerWaalsContact CA-O 3.26Å; S277-G281 WeakPolarHBondContact CA-O 3.02Å
278S91.7Very high93.8Very high19 Ų1932.5 Ų32.513%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-150.6-173.4175.775.10000109.8L280 G281S278-L280 PolarHBondContact O-N 2.87Å; S278-L280 VanDerWaalsContact O-N 3.16Å; S278-L280 WeakPolarHBondContact OG-CB 3.44Å; S278-L280 PolarHBondContact OG-N 2.8Å; S278-L280 VanDerWaalsContact OG-N 3.09Å; S278-G281 PolarHBondContact N-O 3.27Å; S278-G281 PolarHBondContact O-N 2.92Å; S278-G281 VanDerWaalsContact O-O 3.05Å
279A87.5Confident93.8Very high49 Ų4932.5 Ų32.541%0.40519%0.191SC..THydrogen-bonded Turntrans-60.3-20.117100000113.1I194 S292I194-A279 HydrophobicContact CG1-CB 4.4Å; A279-S292 WeakPolarHBondContact O-CB 3.44Å
280L88.3Confident93.9Very high1 Ų132.7 Ų32.71%0.00518%0.182CC..THydrogen-bonded Turntrans-83.3-20.1-179.6-62177.9000113.7W185 C188 T192 I194 S278 S292 Y296W185-L280 HydrophobicContact CB-CD1 3.91Å; W185-L280 HydrophobicContact CD2-CB 4.4Å; W185-L280 HydrophobicContact CG-CB 4.11Å; W185-L280 HydrophobicContact CG-CD1 3.89Å; C188-L280 HydrophobicContact CB-CD1 3.44Å; C188-L280 VanDerWaalsContact CB-CD1 3.44Å; T192-L280 HydrophobicContact CG2-CD2 3.83Å; I194-L280 HydrophobicContact CD1-CD1 3.85Å; I194-L280 HydrophobicContact CD1-CG 4.07Å; S278-L280 PolarHBondContact O-N 2.87Å; S278-L280 VanDerWaalsContact O-N 3.16Å; S278-L280 WeakPolarHBondContact OG-CB 3.44Å; S278-L280 PolarHBondContact OG-N 2.8Å; S278-L280 VanDerWaalsContact OG-N 3.09Å; L280-S292 PolarHBondContact O-N 3.23Å; L280-Y296 HydrophobicContact CD1-CD2 4.14Å; L280-Y296 HydrophobicContact CD1-CE2 4.41Å; L280-Y296 HydrophobicContact CD2-CD2 3.68Å; L280-Y296 HydrophobicContact CD2-CE2 3.97Å
281G91.4Very high93.8Very high3 Ų329.9 Ų29.93%0.03116%0.159CC..EExtended strand (participates in β ladder)trans158.9-170.6-17600000114.5S277 S278 K290S277-G281 CarbonylContact C-O 3.6Å; S277-G281 VanDerWaalsContact CA-O 3.26Å; S277-G281 WeakPolarHBondContact CA-O 3.02Å; S278-G281 PolarHBondContact N-O 3.27Å; S278-G281 PolarHBondContact O-N 2.92Å; S278-G281 VanDerWaalsContact O-O 3.05Å; G281-K290 CarbonylContact C-O 3.03Å; G281-K290 WeakPolarHBondContact CA-O 3.43Å
282S94.6Very high93.6Very high16 Ų1631.5 Ų31.511%0.11217%0.169CC..EExtended strand (participates in β ladder)trans-143.4141.5170.365.70000110.4V276 I289 K290V276-S282 CarbonylContact O-C 3.6Å; V276-S282 VanDerWaalsContact O-CA 3.25Å; V276-S282 WeakPolarHBondContact O-CA 3.37Å; S282-I289 CarbonylContact O-C 3.57Å; S282-I289 VanDerWaalsContact O-CA 3.31Å; S282-I289 WeakPolarHBondContact O-CA 3.4Å; S282-I289 WeakPolarHBondContact O-CG1 3.46Å; S282-K290 PolarHBondContact N-O 2.86Å; S282-K290 PolarHBondContact O-N 3.41Å
283A96.4Very high93.1Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-131.8139.5177.400000109.8I173 L178 L181 W185 Q275 V276 K288 I289I173-A283 HydrophobicContact CD1-CB 3.81Å; L178-A283 HydrophobicContact CD2-CB 3.78Å; L178-A283 WeakPolarHBondContact CD2-O 3.22Å; L181-A283 HydrophobicContact CD1-CB 3.38Å; W185-A283 HydrophobicContact CH2-CB 4.05Å; Q275-A283 VanDerWaalsContact CA-O 3.23Å; Q275-A283 WeakPolarHBondContact CA-O 3.46Å; Q275-A283 WeakPolarHBondContact CG-O 3.48Å; V276-A283 PolarHBondContact N-O 2.89Å; V276-A283 PolarHBondContact O-N 3.38Å; A283-K288 CarbonylContact C-O 3.54Å; A283-K288 WeakPolarHBondContact CA-O 3.35Å; A283-I289 HydrophobicContact CB-CG1 4.19Å
284K96.3Very high92.6Very high52 Ų5229 Ų2923%0.22616%0.163CC..EExtended strand (participates in β ladder)trans-125.6149.4-176.9-60.2178.3-1751550110.7E29 I173 N274 Q275 N286 G287 K288E29-K284 IonicContact OE2-NZ 3.03Å; E29-K284 PolarHBondContact OE2-NZ 3.39Å; I173-K284 WeakPolarHBondContact CB-O 3.46Å; N274-K284 CarbonylContact O-C 3.59Å; N274-K284 VanDerWaalsContact O-CA 3.32Å; N274-K284 WeakPolarHBondContact O-CA 3.49Å; Q275-K284 HydrophobicContact CB-CG 4.2Å; Q275-K284 HydrophobicContact CG-CG 3.93Å; K284-N286 VanDerWaalsContact CB-OD1 3.22Å; K284-N286 WeakPolarHBondContact CB-OD1 3.38Å; K284-N286 PolarHBondContact O-N 3.35Å; K284-N286 VanDerWaalsContact O-N 3.12Å; K284-G287 PolarHBondContact O-N 3.09Å; K284-G287 VanDerWaalsContact O-N 3.1Å; K284-K288 HydrophobicContact CB-CB 4.24Å; K284-K288 HydrophobicContact CD-CB 4.14Å; K284-K288 HydrophobicContact CG-CB 4.5Å; K284-K288 PolarHBondContact N-O 3.16Å
285L93.5Very high92Very high52 Ų5232.9 Ų32.927%0.27218%0.175SC..THydrogen-bonded Turntrans-51.4-38.5-178.7-167.280.6000112.8D172 I173 L178 N274 G287D172-L285 WeakPolarHBondContact CA-O 3.39Å; D172-L285 WeakPolarHBondContact CB-O 3.26Å; I173-L285 PolarHBondContact N-O 3.07Å; I173-L285 WeakPolarHBondContact O-CA 3.49Å; I173-L285 WeakPolarHBondContact O-CD1 2.84Å; L178-L285 HydrophobicContact CD1-CD1 4.31Å; N274-L285 PolarHBondContact O-N 3.04Å; L285-G287 PolarHBondContact O-N 2.82Å
286N91.5Very high91.3Very high81 Ų8131.3 Ų31.343%0.43317%0.168SC..THydrogen-bonded Turntrans-74.318.2-179.368.8-6.1000115.8Q31 K284 K288Q31-N286 PolarHBondContact NE2-O 2.99Å; K284-N286 VanDerWaalsContact CB-OD1 3.22Å; K284-N286 WeakPolarHBondContact CB-OD1 3.38Å; K284-N286 PolarHBondContact O-N 3.35Å; K284-N286 VanDerWaalsContact O-N 3.12Å; N286-K288 VanDerWaalsContact C-N 3.35Å; N286-K288 PolarHBondContact O-N 2.85Å; N286-K288 WeakPolarHBondContact OD1-CB 3.48Å; N286-K288 PolarHBondContact OD1-N 2.79Å
287G94.3Very high90.9Very high0 Ų031.3 Ų31.30%017%0.168CC..THydrogen-bonded Turntrans78.615.1177.400000114.4L32 L171 K284 L285L32-G287 VanDerWaalsContact CB-O 3.24Å; L32-G287 WeakPolarHBondContact CB-O 3.41Å; L32-G287 WeakPolarHBondContact CG-O 3.17Å; L32-G287 PolarHBondContact N-O 2.85Å; L171-G287 VanDerWaalsContact O-CA 3.23Å; L171-G287 WeakPolarHBondContact O-CA 3.13Å; K284-G287 PolarHBondContact O-N 3.09Å; K284-G287 VanDerWaalsContact O-N 3.1Å; L285-G287 PolarHBondContact O-N 2.82Å
288K95.9Very high90.6Very high70 Ų7030.8 Ų30.830%0.30416%0.163SC..EExtended strand (participates in β ladder)trans-92.2126.3173.6-71-176.6177-169.80111.1E29 W30 Q31 A283 K284 N286E29-K288 HydrophobicContact CG-CB 4.23Å; W30-K288 WeakPolarHBondContact O-CA 3.38Å; Q31-K288 VanDerWaalsContact OE1-CG 3.29Å; A283-K288 CarbonylContact C-O 3.54Å; A283-K288 WeakPolarHBondContact CA-O 3.35Å; K284-K288 HydrophobicContact CB-CB 4.24Å; K284-K288 HydrophobicContact CD-CB 4.14Å; K284-K288 HydrophobicContact CG-CB 4.5Å; K284-K288 PolarHBondContact N-O 3.16Å; N286-K288 VanDerWaalsContact C-N 3.35Å; N286-K288 PolarHBondContact O-N 2.85Å; N286-K288 WeakPolarHBondContact OD1-CB 3.48Å; N286-K288 PolarHBondContact OD1-N 2.79Å
289I95.8Very high90.4Very high1 Ų131.3 Ų31.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-131.9138176.3-162.7174.9000111.9E29 W30 L32 I173 S282 A283 I291 I300 L304E29-I289 CarbonylContact C-O 3.4Å; E29-I289 WeakPolarHBondContact CA-O 3.29Å; W30-I289 HydrophobicContact CB-CG2 4.19Å; W30-I289 PolarHBondContact N-O 2.9Å; W30-I289 PolarHBondContact O-N 2.71Å; L32-I289 HydrophobicContact CD1-CB 4.36Å; L32-I289 HydrophobicContact CD1-CG2 4.02Å; L32-I289 HydrophobicContact CD2-CG2 3.71Å; L32-I289 HydrophobicContact CG-CG2 3.92Å; I173-I289 HydrophobicContact CD1-CB 4.26Å; S282-I289 CarbonylContact O-C 3.57Å; S282-I289 VanDerWaalsContact O-CA 3.31Å; S282-I289 WeakPolarHBondContact O-CA 3.4Å; S282-I289 WeakPolarHBondContact O-CG1 3.46Å; A283-I289 HydrophobicContact CB-CG1 4.19Å; I289-I291 HydrophobicContact CD1-CG1 4.47Å; I289-I300 HydrophobicContact CD1-CG2 3.88Å; I289-L304 HydrophobicContact CD1-CD1 3.9Å; I289-L304 HydrophobicContact CD1-CD2 4.4Å; I289-L304 HydrophobicContact CG2-CD1 4.41Å
290K94.6Very high90.5Very high77 Ų7729.4 Ų29.434%0.33515%0.15SC..EExtended strand (participates in β ladder)trans-120.6129.1170178.2176.1178.2178.20108.2K27 T28 E29 G281 S282K27-K290 WeakPolarHBondContact O-CE 3.36Å; T28-K290 WeakPolarHBondContact O-CA 3.36Å; E29-K290 HydrophobicContact CB-CB 4.31Å; G281-K290 CarbonylContact C-O 3.03Å; G281-K290 WeakPolarHBondContact CA-O 3.43Å; S282-K290 PolarHBondContact N-O 2.86Å; S282-K290 PolarHBondContact O-N 3.41Å
291I91.5Very high90.6Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-107.2131.5175.8-61.8171.6000107.3V26 K27 I289 S293 I300 F301V26-I291 CarbonylContact C-O 3.38Å; V26-I291 VanDerWaalsContact CA-O 3.29Å; V26-I291 WeakPolarHBondContact CA-O 3.35Å; V26-I291 WeakPolarHBondContact CG1-O 3.37Å; K27-I291 PolarHBondContact N-O 3.43Å; I289-I291 HydrophobicContact CD1-CG1 4.47Å; I291-S293 VanDerWaalsContact CG2-O 3.31Å; I291-S293 WeakPolarHBondContact CG2-O 3.2Å; I291-I300 HydrophobicContact CD1-CB 4.47Å; I291-I300 HydrophobicContact CD1-CG2 3.84Å; I291-I300 HydrophobicContact CG1-CD1 4.3Å; I291-I300 HydrophobicContact CG1-CG2 4.26Å; I291-I300 HydrophobicContact CG2-CD1 4.2Å; I291-F301 HydrophobicContact CD1-CD1 3.86Å; I291-F301 HydrophobicContact CD1-CE1 3.29Å; I291-F301 HydrophobicContact CD1-CZ 4.22Å
292S87.9Confident90.6Very high43 Ų4330.5 Ų30.530%0.30116%0.156SC..  trans-113.9-12.4-175-63.50000113.3V26 A279 L280V26-S292 WeakPolarHBondContact CG1-O 3.42Å; A279-S292 WeakPolarHBondContact O-CB 3.44Å; L280-S292 PolarHBondContact O-N 3.23Å
293S83.9Confident90.4Very high22 Ų2230 Ų3015%0.15415%0.152CC..  trans-127.2132.7176.6179.40000111I291 R295I291-S293 VanDerWaalsContact CG2-O 3.31Å; I291-S293 WeakPolarHBondContact CG2-O 3.2Å; S293-R295 VanDerWaalsContact C-N 3.33Å; S293-R295 PolarHBondContact OG-N 2.94Å
294S85.4Confident90.3Very high31 Ų3130 Ų3022%0.21715%0.153CC..SBendtrans-74.7-22.8173.150.70000112.8I13 Y296 L297I13-S294 VanDerWaalsContact CD1-O 3.24Å; I13-S294 WeakPolarHBondContact CD1-O 3.34Å; S294-Y296 PolarHBondContact O-N 3.33Å; S294-Y296 VanDerWaalsContact O-N 3.17Å; S294-L297 VanDerWaalsContact O-CB 3.3Å; S294-L297 WeakPolarHBondContact O-CB 3.45Å; S294-L297 PolarHBondContact O-N 3.3Å
295R83.1Confident90.2Very high118 Ų11827.5 Ų27.545%0.44514%0.142SC..THydrogen-bonded Turntrans-61.1-28.3-173.5-68.6-171.4178.31750.7114.5Q11 E191 S293Q11-R295 PolarHBondContact N-O 3.47Å; Q11-R295 WeakPolarHBondContact O-CA 3.31Å; E191-R295 PolarHBondContact O-NH1 2.99Å; S293-R295 VanDerWaalsContact C-N 3.33Å; S293-R295 PolarHBondContact OG-N 2.94Å
296Y83.9Confident90.2Very high7 Ų726.4 Ų26.43%0.02714%0.135CC..THydrogen-bonded Turntrans-115.714.8-178-59.4-71.5000112.8P8 C188 E191 T192 L280 S294 I298 S299 I300P8-Y296 HydrophobicContact CB-CD1 4.02Å; P8-Y296 HydrophobicContact CB-CE1 4.36Å; C188-Y296 HydrophobicContact CB-CD2 4.16Å; C188-Y296 HydrophobicContact CB-CE1 4.07Å; C188-Y296 HydrophobicContact CB-CE2 3.58Å; C188-Y296 VanDerWaalsContact SG-CD1 3.53Å; C188-Y296 WeakPolarHBondContact SG-CE1 3.41Å; C188-Y296 VanDerWaalsContact SG-CZ 3.52Å; E191-Y296 WeakPolarHBondContact CB-OH 3.49Å; E191-Y296 VanDerWaalsContact CD-OH 3.3Å; E191-Y296 PolarHBondContact OE2-OH 3Å; T192-Y296 HydrophobicContact CG2-CE2 3.75Å; L280-Y296 HydrophobicContact CD1-CD2 4.14Å; L280-Y296 HydrophobicContact CD1-CE2 4.41Å; L280-Y296 HydrophobicContact CD2-CD2 3.68Å; L280-Y296 HydrophobicContact CD2-CE2 3.97Å; S294-Y296 PolarHBondContact O-N 3.33Å; S294-Y296 VanDerWaalsContact O-N 3.17Å; Y296-I298 VanDerWaalsContact C-N 3.32Å; Y296-I298 PolarHBondContact O-N 2.96Å; Y296-S299 PolarHBondContact O-N 3.45Å; Y296-I300 WeakPolarHBondContact O-CG1 3.31Å; Y296-I300 PolarHBondContact O-N 3.15Å
297L86.9Confident90.2Very high0 Ų023.3 Ų23.30%012%0.12CC..Hα-helixtrans-60-43.8-174.8-172.4151.5000111.5I13 L25 V26 L86 S294 S299 I300 F301I13-L297 HydrophobicContact CD1-CB 3.83Å; I13-L297 HydrophobicContact CD1-CD1 4.18Å; I13-L297 HydrophobicContact CD1-CD2 4.41Å; I13-L297 HydrophobicContact CD1-CG 4.37Å; L25-L297 HydrophobicContact CB-CD1 3.92Å; L25-L297 HydrophobicContact CD1-CD1 3.95Å; L25-L297 HydrophobicContact CG-CD1 4.45Å; V26-L297 HydrophobicContact CG2-CD1 4.44Å; L86-L297 HydrophobicContact CD2-CD2 3.75Å; S294-L297 VanDerWaalsContact O-CB 3.3Å; S294-L297 WeakPolarHBondContact O-CB 3.45Å; S294-L297 PolarHBondContact O-N 3.3Å; L297-S299 PolarHBondContact O-N 2.82Å; L297-I300 PolarHBondContact O-N 2.95Å; L297-F301 HydrophobicContact CD2-CD1 4.43Å; L297-F301 HydrophobicContact CD2-CD2 3.61Å; L297-F301 HydrophobicContact CD2-CE2 3.72Å; L297-F301 HydrophobicContact CD2-CG 3.98Å; L297-F301 HydrophobicContact CD2-CZ 4.22Å; L297-F301 HydrophobicContact CG-CE2 4.41Å; L297-F301 HydrophobicContact CG-CZ 4.43Å; L297-F301 WeakPolarHBondContact O-CB 3.19Å; L297-F301 PolarHBondContact O-N 3.15Å
298I88.3Confident90.2Very high5 Ų523.3 Ų23.33%0.02612%0.12CC..Hα-helixtrans-59-46.2177.1-63.9-57.2000111.5Q11 I13 L86 E88 I124 Y296 I300 F301 S302Q11-I298 VanDerWaalsContact OE1-CG1 3.32Å; I13-I298 HydrophobicContact CG2-CG1 4.12Å; L86-I298 HydrophobicContact CB-CD1 4.45Å; L86-I298 HydrophobicContact CD2-CD1 3.64Å; E88-I298 HydrophobicContact CG-CD1 4.48Å; E88-I298 HydrophobicContact CG-CG2 3.6Å; I124-I298 HydrophobicContact CD1-CD1 3.91Å; I124-I298 HydrophobicContact CG2-CD1 4.32Å; I124-I298 HydrophobicContact CG2-CG2 3.96Å; Y296-I298 VanDerWaalsContact C-N 3.32Å; Y296-I298 PolarHBondContact O-N 2.96Å; I298-I300 PolarHBondContact O-N 3.47Å; I298-F301 PolarHBondContact O-N 3.19Å; I298-S302 WeakPolarHBondContact O-CB 3.16Å; I298-S302 PolarHBondContact O-N 3.33Å; I298-S302 PolarHBondContact O-OG 3.04Å
299S87.4Confident90.1Very high29 Ų2921.6 Ų21.620%0.20311%0.114CC..Hα-helixtrans-63.8-42.2179.3-59.90000111.9R9 Y296 L297 L303R9-S299 PolarHBondContact N-OG 2.82Å; Y296-S299 PolarHBondContact O-N 3.45Å; L297-S299 PolarHBondContact O-N 2.82Å; S299-L303 PolarHBondContact O-N 3.18Å
300I89.3Confident89.9Confident9 Ų926.1 Ų26.15%0.04614%0.137CC..Hα-helixtrans-65.4-48177.3-65.2168.1000110.2I289 I291 Y296 L297 I298 S302 L303 L304I289-I300 HydrophobicContact CD1-CG2 3.88Å; I291-I300 HydrophobicContact CD1-CB 4.47Å; I291-I300 HydrophobicContact CD1-CG2 3.84Å; I291-I300 HydrophobicContact CG1-CD1 4.3Å; I291-I300 HydrophobicContact CG1-CG2 4.26Å; I291-I300 HydrophobicContact CG2-CD1 4.2Å; Y296-I300 WeakPolarHBondContact O-CG1 3.31Å; Y296-I300 PolarHBondContact O-N 3.15Å; L297-I300 PolarHBondContact O-N 2.95Å; I298-I300 PolarHBondContact O-N 3.47Å; I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 3.42Å; I300-L303 WeakPolarHBondContact O-CB 3.36Å; I300-L303 PolarHBondContact O-N 2.91Å; I300-L304 HydrophobicContact CG2-CD1 4.16Å; I300-L304 HydrophobicContact CG2-CG 4.45Å; I300-L304 WeakPolarHBondContact O-CG 3.26Å; I300-L304 PolarHBondContact O-N 3.21Å
301F91Very high89.7Confident4 Ų427.1 Ų27.12%0.01814%0.142CC..Hα-helixtrans-66.7-35.2-179-81.514.8000112.1L25 I124 I291 L297 I298 L303 L304 T305L25-F301 HydrophobicContact CD2-CE2 3.99Å; L25-F301 HydrophobicContact CD2-CZ 3.82Å; I124-F301 HydrophobicContact CB-CB 4.37Å; I124-F301 HydrophobicContact CD1-CB 3.65Å; I124-F301 HydrophobicContact CD1-CD2 3.67Å; I124-F301 HydrophobicContact CD1-CG 4.17Å; I124-F301 HydrophobicContact CG1-CB 4.26Å; I291-F301 HydrophobicContact CD1-CD1 3.86Å; I291-F301 HydrophobicContact CD1-CE1 3.29Å; I291-F301 HydrophobicContact CD1-CZ 4.22Å; L297-F301 HydrophobicContact CD2-CD1 4.43Å; L297-F301 HydrophobicContact CD2-CD2 3.61Å; L297-F301 HydrophobicContact CD2-CE2 3.72Å; L297-F301 HydrophobicContact CD2-CG 3.98Å; L297-F301 HydrophobicContact CD2-CZ 4.22Å; L297-F301 HydrophobicContact CG-CE2 4.41Å; L297-F301 HydrophobicContact CG-CZ 4.43Å; L297-F301 WeakPolarHBondContact O-CB 3.19Å; L297-F301 PolarHBondContact O-N 3.15Å; I298-F301 PolarHBondContact O-N 3.19Å; F301-L303 PolarHBondContact O-N 3.12Å; F301-L304 HydrophobicContact CD1-CD1 4.3Å; F301-L304 CarbonylContact O-C 3.49Å; F301-L304 PolarHBondContact O-N 3.18Å; F301-T305 WeakPolarHBondContact O-CB 3.45Å; F301-T305 PolarHBondContact O-N 3.35Å; F301-T305 PolarHBondContact O-OG1 3.45Å
302S91.6Very high89.5Confident23 Ų2328.1 Ų28.116%0.16115%0.147CC..Hα-helixtrans-59.3-45.7173.1-56.90000111.6I124 N125 I298 I300 L304 T305 E306I124-S302 WeakPolarHBondContact CG2-OG 3.27Å; I124-S302 WeakPolarHBondContact O-CA 3.26Å; N125-S302 PolarHBondContact ND2-OG 3.47Å; I298-S302 WeakPolarHBondContact O-CB 3.16Å; I298-S302 PolarHBondContact O-N 3.33Å; I298-S302 PolarHBondContact O-OG 3.04Å; I300-S302 VanDerWaalsContact C-N 3.33Å; I300-S302 PolarHBondContact O-N 3.42Å; S302-L304 VanDerWaalsContact C-N 3.34Å; S302-L304 PolarHBondContact O-N 2.96Å; S302-T305 PolarHBondContact O-N 2.95Å; S302-E306 PolarHBondContact O-N 3.32Å
303L90.8Very high89.1Confident5 Ų529.9 Ų29.93%0.02616%0.157CC..Hα-helixtrans-60.8-43175.1174.766.1000111.7R5 T177 W180 L181 L184 S299 I300 F301 E306 C307R5-L303 VanDerWaalsContact NE-CD1 3.31Å; T177-L303 HydrophobicContact CG2-CD2 4.09Å; T177-L303 HydrophobicContact CG2-CG 4.3Å; W180-L303 HydrophobicContact CB-CD2 4.4Å; L181-L303 HydrophobicContact CD2-CD2 3.69Å; L181-L303 HydrophobicContact CG-CD2 3.89Å; L184-L303 HydrophobicContact CD1-CD2 4Å; S299-L303 PolarHBondContact O-N 3.18Å; I300-L303 WeakPolarHBondContact O-CB 3.36Å; I300-L303 PolarHBondContact O-N 2.91Å; F301-L303 PolarHBondContact O-N 3.12Å; L303-E306 PolarHBondContact O-N 3.44Å; L303-C307 PolarHBondContact O-N 2.84Å; L303-C307 PolarHBondContact O-SG 3Å
304L93.6Very high87.9Confident1 Ų140.1 Ų40.11%0.00521%0.208CC..Hα-helixtrans-69.9-36.4179.7-66-179.4000112.4L32 L143 I289 I300 F301 S302 C307 A308L32-L304 HydrophobicContact CD1-CD1 4.23Å; L32-L304 HydrophobicContact CD1-CD2 3.77Å; L32-L304 HydrophobicContact CD2-CD1 4.21Å; L143-L304 HydrophobicContact CD1-CB 3.83Å; L143-L304 HydrophobicContact CD2-CB 3.6Å; L143-L304 HydrophobicContact CD2-CD1 4.25Å; L143-L304 HydrophobicContact CG-CB 4.36Å; I289-L304 HydrophobicContact CD1-CD1 3.9Å; I289-L304 HydrophobicContact CD1-CD2 4.4Å; I289-L304 HydrophobicContact CG2-CD1 4.41Å; I300-L304 HydrophobicContact CG2-CD1 4.16Å; I300-L304 HydrophobicContact CG2-CG 4.45Å; I300-L304 WeakPolarHBondContact O-CG 3.26Å; I300-L304 PolarHBondContact O-N 3.21Å; F301-L304 HydrophobicContact CD1-CD1 4.3Å; F301-L304 CarbonylContact O-C 3.49Å; F301-L304 PolarHBondContact O-N 3.18Å; S302-L304 VanDerWaalsContact C-N 3.34Å; S302-L304 PolarHBondContact O-N 2.96Å; L304-C307 PolarHBondContact O-N 2.84Å; L304-A308 WeakPolarHBondContact O-CB 3.36Å; L304-A308 PolarHBondContact O-N 3.44Å
305T94.4Very high88Confident0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-61.4-46.3172.4-72.90000110.4I124 P142 F301 S302 C307 A308 L309I124-T305 PolarHBondContact N-OG1 3.37Å; I124-T305 WeakPolarHBondContact O-CG2 3.41Å; P142-T305 HydrophobicContact CG-CG2 3.8Å; F301-T305 WeakPolarHBondContact O-CB 3.45Å; F301-T305 PolarHBondContact O-N 3.35Å; F301-T305 PolarHBondContact O-OG1 3.45Å; S302-T305 PolarHBondContact O-N 2.95Å; T305-C307 VanDerWaalsContact C-N 3.34Å; T305-C307 PolarHBondContact O-N 2.88Å; T305-A308 PolarHBondContact O-N 2.96Å; T305-L309 HydrophobicContact CG2-CD1 4.09Å; T305-L309 WeakPolarHBondContact O-CG 3.41Å; T305-L309 PolarHBondContact O-N 3.44Å
306E92.3Very high88.2Confident28 Ų2836.5 Ų36.513%0.13120%0.195CC..Hα-helixtrans-57.8-47.4173.3-171.1-161.1145.800111.2N2 R5 S302 L303 A308 L309 L310N2-E306 VanDerWaalsContact CB-OE1 3.31Å; N2-E306 WeakPolarHBondContact CB-OE1 3.38Å; N2-E306 PolarHBondContact N-OE1 3.39Å; N2-E306 PolarHBondContact ND2-OE1 3.43Å; N2-E306 PolarHBondContact ND2-OE2 2.96Å; R5-E306 IonicContact CZ-OE1 2.66Å; R5-E306 IonicContact CZ-OE2 3.86Å; R5-E306 VanDerWaalsContact CZ-OE2 3.3Å; R5-E306 IonicContact NE-OE2 3.2Å; R5-E306 PolarHBondContact NE-OE2 3.21Å; R5-E306 IonicContact NH2-OE1 3.3Å; R5-E306 PolarHBondContact NH2-OE1 2.9Å; R5-E306 IonicContact NH2-OE2 2.81Å; R5-E306 PolarHBondContact NH2-OE2 3.41Å; S302-E306 PolarHBondContact O-N 3.32Å; L303-E306 PolarHBondContact O-N 3.44Å; E306-A308 VanDerWaalsContact C-N 3.3Å; E306-A308 PolarHBondContact O-N 3.23Å; E306-L309 PolarHBondContact O-N 2.93Å; E306-L310 HydrophobicContact CG-CD1 4.18Å; E306-L310 WeakPolarHBondContact O-CG 3.49Å; E306-L310 PolarHBondContact O-N 3.44Å
307C92.4Very high88.5Confident16 Ų1638.2 Ų38.211%0.10820%0.204CC..Hα-helixtrans-60.5-40.8178.1-67.20000112L171 T177 L303 L304 T305 K311L171-C307 HydrophobicContact CD1-CB 4.14Å; T177-C307 PolarHBondContact OG1-SG 3.26Å; L303-C307 PolarHBondContact O-N 2.84Å; L303-C307 PolarHBondContact O-SG 3Å; L304-C307 PolarHBondContact O-N 2.84Å; T305-C307 VanDerWaalsContact C-N 3.34Å; T305-C307 PolarHBondContact O-N 2.88Å; C307-K311 VanDerWaalsContact O-CG 3.32Å; C307-K311 WeakPolarHBondContact O-CG 2.81Å; C307-K311 PolarHBondContact O-N 2.79Å
308A95Very high88.6Confident0 Ų040.4 Ų40.40%022%0.216CC..Hα-helixtrans-65.6-45.4179.100000111.6P142 L143 L171 L304 T305 E306 L310 K311 M312P142-A308 HydrophobicContact CB-CB 4.01Å; P142-A308 WeakPolarHBondContact O-CB 3.49Å; L143-A308 HydrophobicContact CB-CB 4.44Å; L171-A308 HydrophobicContact CD2-CB 3.87Å; L304-A308 WeakPolarHBondContact O-CB 3.36Å; L304-A308 PolarHBondContact O-N 3.44Å; T305-A308 PolarHBondContact O-N 2.96Å; E306-A308 VanDerWaalsContact C-N 3.3Å; E306-A308 PolarHBondContact O-N 3.23Å; A308-L310 PolarHBondContact O-N 3.5Å; A308-K311 PolarHBondContact O-N 2.84Å; A308-K311 VanDerWaalsContact O-N 3.15Å; A308-M312 WeakPolarHBondContact O-CG 3.14Å; A308-M312 PolarHBondContact O-N 3.1Å
309L93Very high88.6Confident34 Ų3442.6 Ų42.618%0.17823%0.228CC..Hα-helixtrans-60.2-43.4176.5-71.9169.7000111.8Y130 P142 T305 E306 K311 M312Y130-L309 HydrophobicContact CD1-CD2 3.88Å; Y130-L309 HydrophobicContact CE1-CD2 3.61Å; P142-L309 HydrophobicContact CB-CD2 3.76Å; P142-L309 HydrophobicContact CB-CG 3.97Å; P142-L309 HydrophobicContact CG-CD2 3.96Å; P142-L309 HydrophobicContact CG-CG 3.97Å; T305-L309 HydrophobicContact CG2-CD1 4.09Å; T305-L309 WeakPolarHBondContact O-CG 3.41Å; T305-L309 PolarHBondContact O-N 3.44Å; E306-L309 PolarHBondContact O-N 2.93Å; L309-K311 PolarHBondContact O-N 3.07Å; L309-M312 HydrophobicContact CD2-CE 4.09Å; L309-M312 HydrophobicContact CD2-SD 4.33Å; L309-M312 PolarHBondContact O-N 2.95Å
310L90.8Very high88.7Confident96 Ų9643.5 Ų43.550%0.50323%0.23SC..Hα-helixtrans-66.6-18177.8-70.7172.9000114.1M1 E306 A308M1-L310 HydrophobicContact CB-CD1 4.34Å; M1-L310 HydrophobicContact CG-CD1 4.01Å; E306-L310 HydrophobicContact CG-CD1 4.18Å; E306-L310 WeakPolarHBondContact O-CG 3.49Å; E306-L310 PolarHBondContact O-N 3.44Å; A308-L310 PolarHBondContact O-N 3.5Å
311K90.8Very high88.6Confident99 Ų9946 Ų4643%0.4324%0.243SC..Hα-helixtrans-95.7-11179.9-75.9-70.7-171.9173.40113.5Y34 L171 C307 A308 L309Y34-K311 HydrophobicContact CD1-CB 3.84Å; Y34-K311 HydrophobicContact CE1-CB 4.29Å; Y34-K311 HydrophobicContact CG-CB 4.33Å; L171-K311 HydrophobicContact CD1-CB 4.24Å; L171-K311 HydrophobicContact CD1-CG 3.82Å; C307-K311 VanDerWaalsContact O-CG 3.32Å; C307-K311 WeakPolarHBondContact O-CG 2.81Å; C307-K311 PolarHBondContact O-N 2.79Å; A308-K311 PolarHBondContact O-N 2.84Å; A308-K311 VanDerWaalsContact O-N 3.15Å; L309-K311 PolarHBondContact O-N 3.07Å
312M88Confident88.5Confident21 Ų2149.2 Ų49.210%0.10326%0.26CS..SBendtrans-64.9138.2178-64.3-170-17500110.6Y34 V35 P142 A308 L309Y34-M312 HydrophobicContact CD2-CG 4.17Å; V35-M312 WeakPolarHBondContact O-CE 3.4Å; P142-M312 HydrophobicContact CB-CE 3.02Å; P142-M312 HydrophobicContact CG-CE 4.46Å; A308-M312 WeakPolarHBondContact O-CG 3.14Å; A308-M312 PolarHBondContact O-N 3.1Å; L309-M312 HydrophobicContact CD2-CE 4.09Å; L309-M312 HydrophobicContact CD2-SD 4.33Å; L309-M312 PolarHBondContact O-N 2.95Å
313P78.7Confident88.2Confident79 Ų7951.4 Ų51.451%0.51327%0.268SS..  trans-62.8140.4166.628.4-32.2000109.2T36T36-P313 HydrophobicContact CG2-CG 4.3Å
314I58.7Low88Confident238 Ų23855.6 Ų55.6100%1.22129%0.29SS*.  trans-76.50171.5-57.4172.9000108.8

Retrieved 314 of 314 residues in 86.5 ms (Link to these results)

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