A0A3B3UCJ7_9TELE Loading...

WD repeat domain phosphoinositide-interacting protein 4

AlphaFold DB , UniProt , Accession A0A3B3UCJ7, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 358 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
1M32.4Very low75.2Confident242 Ų24288.1 Ų88.1100%1.19246%0.462SS*.  0118.70-67.1179.4-155.100106.2Q3M1-Q3 PolarHBondContact O-N 3.32Å
2A38.2Very low77.1Confident89 Ų8982.5 Ų82.574%0.73643%0.431SS*.  trans-62.3123.3175.400000107.9Q4A2-Q4 PolarHBondContact O-N 2.92Å
3Q42.9Very low78.7Confident166 Ų16676.5 Ų76.578%0.77640%0.4SS*.  trans-58.9123.4175.7-167.2168.18.600107.5M1 R5M1-Q3 PolarHBondContact O-N 3.32Å; Q3-R5 WeakPolarHBondContact O-CG 3.35Å; Q3-R5 PolarHBondContact O-N 3.23Å
4Q60Low80Confident194 Ų19473.3 Ų73.391%0.90738%0.382SS*.  trans-58.4104.6172.2-97.6178.2-25.500107.3A2 G6A2-Q4 PolarHBondContact O-N 2.92Å; Q4-G6 PolarHBondContact O-N 3.41Å
5R76.4Confident80.9Confident93 Ų9371.8 Ų71.835%0.35137%0.374SS..  trans-77.922.1-178.8-65-160.2174.1-152.74113Q3 V7 D327 V348 L350 D351Q3-R5 WeakPolarHBondContact O-CG 3.35Å; Q3-R5 PolarHBondContact O-N 3.23Å; R5-V7 VanDerWaalsContact C-N 3.3Å; R5-V7 PolarHBondContact O-N 3.47Å; R5-D327 VanDerWaalsContact CD-O 3.3Å; R5-D327 WeakPolarHBondContact CD-O 3.34Å; R5-V348 VanDerWaalsContact NH1-CG1 3.3Å; R5-L350 HydrophobicContact CB-CD1 3.55Å; R5-L350 HydrophobicContact CG-CD1 4.26Å; R5-D351 IonicContact CZ-OD1 3.39Å; R5-D351 IonicContact CZ-OD2 3.32Å; R5-D351 IonicContact NH1-OD1 2.88Å; R5-D351 PolarHBondContact NH1-OD1 3.1Å; R5-D351 IonicContact NH1-OD2 3.12Å; R5-D351 PolarHBondContact NH1-OD2 3.17Å; R5-D351 IonicContact NH2-OD1 3.9Å; R5-D351 IonicContact NH2-OD2 3.87Å; R5-D351 PolarHBondContact NH2-OD2 3.18Å; R5-D351 VanDerWaalsContact NH2-OD2 3.09Å
6G91.7Very high81.9Confident21 Ų2168.4 Ų68.422%0.21636%0.356CS..  trans66.521174.400000115.5Q4 M23 E24Q4-G6 PolarHBondContact O-N 3.41Å; G6-M23 CarbonylContact O-C 3.53Å; G6-M23 WeakPolarHBondContact O-CA 3.18Å; G6-M23 WeakPolarHBondContact O-CB 3.46Å; G6-E24 PolarHBondContact O-N 2.78Å
7V96.1Very high82.7Confident22 Ų2264.8 Ų64.813%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-83.1120.3176.7-179.50000110R5 L10 M23 V326 L350R5-V7 VanDerWaalsContact C-N 3.3Å; R5-V7 PolarHBondContact O-N 3.47Å; V7-L10 HydrophobicContact CG1-CD1 4.44Å; V7-L10 HydrophobicContact CG1-CD2 4.02Å; V7-L10 HydrophobicContact CG1-CG 3.91Å; V7-M23 HydrophobicContact CG2-CE 4.41Å; V7-M23 HydrophobicContact CG2-CG 4.47Å; V7-V326 HydrophobicContact CB-CB 4.31Å; V7-V326 WeakPolarHBondContact CB-O 3.42Å; V7-V326 HydrophobicContact CG1-CB 4.21Å; V7-V326 HydrophobicContact CG1-CG1 4.25Å; V7-V326 WeakPolarHBondContact CG2-O 3.29Å; V7-L350 HydrophobicContact CG2-CD1 3.95Å
8N96.4Very high83.6Confident60 Ų6061.4 Ų61.432%0.32132%0.321SS..EExtended strand (participates in β ladder)trans-93.8-42.4-178.6-72.2-25.4000112.2A22 E24 S48 V49N8-A22 PolarHBondContact N-O 3.04Å; N8-E24 PolarHBondContact ND2-OE1 2.83Å; N8-E24 PolarHBondContact OD1-OE1 2.84Å; N8-S48 PolarHBondContact ND2-OG 2.69Å; N8-V49 WeakPolarHBondContact CB-O 3.49Å; N8-V49 PolarHBondContact ND2-O 3.27Å
9S96.9Very high84.4Confident23 Ų2358.2 Ų58.216%0.16130%0.304CS..EExtended strand (participates in β ladder)trans-153.2155.4173.7670000112.9A22 A50S9-A22 PolarHBondContact N-O 3.07Å; S9-A22 PolarHBondContact O-N 3.04Å; S9-A22 WeakPolarHBondContact OG-CB 3.43Å; S9-A50 WeakPolarHBondContact CB-O 3.28Å; S9-A50 PolarHBondContact OG-O 2.84Å
10L98.1Very high85Confident21 Ų2155.4 Ų55.411%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-126.3136.5175.6-66.6168.7000108.7V7 F19 C20 C21 I307 I324 V326V7-L10 HydrophobicContact CG1-CD1 4.44Å; V7-L10 HydrophobicContact CG1-CD2 4.02Å; V7-L10 HydrophobicContact CG1-CG 3.91Å; L10-F19 HydrophobicContact CD2-CD2 4.3Å; L10-F19 HydrophobicContact CD2-CE2 4.41Å; L10-C20 WeakPolarHBondContact CA-O 3.5Å; L10-C21 HydrophobicContact CD2-CB 3.8Å; L10-I307 HydrophobicContact CB-CD1 3.61Å; L10-I307 HydrophobicContact CB-CG1 3.99Å; L10-I307 HydrophobicContact CB-CG2 4.35Å; L10-I324 HydrophobicContact CD1-CB 4.45Å; L10-I324 HydrophobicContact CD1-CG2 3.91Å; L10-I324 WeakPolarHBondContact CD1-O 3.41Å; L10-I324 HydrophobicContact CD2-CG2 4.12Å; L10-V326 HydrophobicContact CD1-CG1 3.85Å; L10-V326 HydrophobicContact CG-CG1 4.4Å
11Q98.1Very high85.7Confident38 Ų3852.7 Ų52.718%0.17828%0.275CS..EExtended strand (participates in β ladder)trans-147.1126.1175.8-175.2173.2-2400111.3F19 C20 C52 S53Q11-F19 CarbonylContact O-C 3.58Å; Q11-F19 VanDerWaalsContact O-CA 3.31Å; Q11-F19 WeakPolarHBondContact O-CA 3.39Å; Q11-C20 PolarHBondContact N-O 2.91Å; Q11-C20 VanDerWaalsContact N-O 3.07Å; Q11-C20 PolarHBondContact O-N 2.77Å; Q11-C20 PolarHBondContact O-SG 3.19Å; Q11-C52 PolarHBondContact OE1-O 3.3Å; Q11-S53 PolarHBondContact NE2-OG 3.16Å
12F98.3Very high88.8Confident21 Ų2141.2 Ų41.29%0.09222%0.219CC..EExtended strand (participates in β ladder)trans-67.2147166.8-73.9-71.8000110.3C18 F19 V32 I307 A309 I324F12-C18 WeakPolarHBondContact CA-O 2.7Å; F12-F19 HydrophobicContact CD1-CB 3.95Å; F12-F19 HydrophobicContact CE1-CB 4.28Å; F12-V32 HydrophobicContact CD1-CG2 4.2Å; F12-V32 HydrophobicContact CE1-CG2 3.9Å; F12-I307 HydrophobicContact CD2-CB 4.22Å; F12-I307 HydrophobicContact CD2-CD1 3.54Å; F12-I307 HydrophobicContact CD2-CG1 4Å; F12-I307 HydrophobicContact CE2-CB 3.9Å; F12-I307 HydrophobicContact CE2-CD1 3.56Å; F12-I307 HydrophobicContact CE2-CG1 3.55Å; F12-I307 HydrophobicContact CG-CD1 4.12Å; F12-I307 HydrophobicContact CZ-CD1 4.19Å; F12-I307 HydrophobicContact CZ-CG1 4.21Å; F12-A309 HydrophobicContact CD1-CB 4.19Å; F12-A309 HydrophobicContact CD2-CB 3.68Å; F12-A309 HydrophobicContact CE1-CB 3.91Å; F12-A309 HydrophobicContact CE2-CB 3.39Å; F12-A309 HydrophobicContact CG-CB 4.09Å; F12-A309 HydrophobicContact CZ-CB 3.52Å; F12-I324 HydrophobicContact CD1-CD1 4.36Å; F12-I324 HydrophobicContact CE1-CD1 3.42Å; F12-I324 VanDerWaalsContact CE1-CD1 3.42Å; F12-I324 HydrophobicContact CE1-CG1 4.36Å; F12-I324 HydrophobicContact CE2-CD1 4.37Å; F12-I324 HydrophobicContact CZ-CD1 3.42Å; F12-I324 VanDerWaalsContact CZ-CD1 3.42Å; F12-I324 HydrophobicContact CZ-CG1 3.91Å
13N97.6Very high91.6Very high5 Ų537.5 Ų37.53%0.02719%0.186CC..  trans-69.417116377.2-21.1000110.7D15 Q16 S17 C18 M54 H56N13-D15 PolarHBondContact ND2-OD1 2.81Å; N13-D15 PolarHBondContact O-N 3.31Å; N13-D15 VanDerWaalsContact O-N 3.16Å; N13-D15 PolarHBondContact OD1-OD1 2.78Å; N13-Q16 PolarHBondContact O-N 3.4Å; N13-Q16 PolarHBondContact OD1-N 2.97Å; N13-S17 PolarHBondContact ND2-OG 3.17Å; N13-S17 PolarHBondContact OD1-N 2.92Å; N13-C18 HydrophobicContact CB-CB 4.42Å; N13-C18 PolarHBondContact N-O 2.9Å; N13-C18 PolarHBondContact OD1-N 2.88Å; N13-C18 PolarHBondContact OD1-O 3.27Å; N13-C18 VanDerWaalsContact OD1-O 3.05Å; N13-M54 HydrophobicContact CB-CB 3.99Å; N13-M54 HydrophobicContact CB-CE 4.42Å; N13-M54 HydrophobicContact CB-SD 3.98Å; N13-H56 WeakPolarHBondContact CB-O 3.34Å; N13-H56 PolarHBondContact ND2-O 3.45Å
14Q96.6Very high94.2Very high31 Ų3131.4 Ų31.415%0.14516%0.158CC..THydrogen-bonded Turntrans-61.3-29.4-166.9-6978.6-8.800113.4M54 H56 M108 P150 Q200Q14-M54 PolarHBondContact NE2-O 3.09Å; Q14-M54 PolarHBondContact OE1-O 3.45Å; Q14-H56 VanDerWaalsContact OE1-CA 3.26Å; Q14-M108 PolarHBondContact NE2-O 3.45Å; Q14-P150 HydrophobicContact CB-CB 3.92Å; Q14-P150 HydrophobicContact CG-CB 4.26Å; Q14-Q200 PolarHBondContact O-NE2 3.02Å
15D94.6Very high95.8Very high51 Ų5126.2 Ų26.227%0.27314%0.139SC..THydrogen-bonded Turntrans-101.410.1178.174.6-20.6000113.2N13 S17N13-D15 PolarHBondContact ND2-OD1 2.81Å; N13-D15 PolarHBondContact O-N 3.31Å; N13-D15 VanDerWaalsContact O-N 3.16Å; N13-D15 PolarHBondContact OD1-OD1 2.78Å; D15-S17 PolarHBondContact O-N 2.59Å; D15-S17 VanDerWaalsContact O-N 3.13Å; D15-S17 VanDerWaalsContact OD1-CB 3.31Å; D15-S17 WeakPolarHBondContact OD1-CB 3.35Å; D15-S17 PolarHBondContact OD1-N 2.96Å; D15-S17 PolarHBondContact OD1-OG 2.86Å; D15-S17 PolarHBondContact OD2-OG 2.74Å
16Q96.4Very high96.8Very high18 Ų1821.8 Ų21.88%0.08412%0.123CC..SBendtrans60.217.6178.1-58.4169.71000114.4N13 F243 A309 F310N13-Q16 PolarHBondContact O-N 3.4Å; N13-Q16 PolarHBondContact OD1-N 2.97Å; Q16-F243 PolarHBondContact NE2-O 2.79Å; Q16-A309 HydrophobicContact CB-CB 3.89Å; Q16-A309 HydrophobicContact CG-CB 3.84Å; Q16-F310 VanDerWaalsContact OE1-N 3.15Å
17S96.1Very high97Very high6 Ų620.9 Ų20.94%0.04211%0.113CC..SBendtrans-95.8-16.9-173.575.60000113.4N13 D15 V32 R57N13-S17 PolarHBondContact ND2-OG 3.17Å; N13-S17 PolarHBondContact OD1-N 2.92Å; D15-S17 PolarHBondContact O-N 2.59Å; D15-S17 VanDerWaalsContact O-N 3.13Å; D15-S17 VanDerWaalsContact OD1-CB 3.31Å; D15-S17 WeakPolarHBondContact OD1-CB 3.35Å; D15-S17 PolarHBondContact OD1-N 2.96Å; D15-S17 PolarHBondContact OD1-OG 2.86Å; D15-S17 PolarHBondContact OD2-OG 2.74Å; S17-V32 WeakPolarHBondContact O-CB 3.43Å; S17-V32 PolarHBondContact O-N 3.29Å; S17-R57 PolarHBondContact O-NH2 3.42Å; S17-R57 VanDerWaalsContact OG-CZ 3.3Å; S17-R57 PolarHBondContact OG-NE 3Å; S17-R57 PolarHBondContact OG-NH2 2.94Å
18C97.8Very high97.1Very high5 Ų522 Ų223%0.03412%0.116CC..EExtended strand (participates in β ladder)trans-133.2162.6171.3-63.90000109.6F12 N13 Y30 M54 R57F12-C18 WeakPolarHBondContact CA-O 2.7Å; N13-C18 HydrophobicContact CB-CB 4.42Å; N13-C18 PolarHBondContact N-O 2.9Å; N13-C18 PolarHBondContact OD1-N 2.88Å; N13-C18 PolarHBondContact OD1-O 3.27Å; N13-C18 VanDerWaalsContact OD1-O 3.05Å; C18-Y30 CarbonylContact C-O 3.39Å; C18-Y30 WeakPolarHBondContact CA-O 3.43Å; C18-Y30 VanDerWaalsContact CB-O 3.24Å; C18-Y30 WeakPolarHBondContact CB-O 3.33Å; C18-M54 HydrophobicContact CB-CE 3.58Å; C18-M54 HydrophobicContact CB-SD 3.87Å; C18-R57 VanDerWaalsContact SG-CZ 3.52Å; C18-R57 PolarHBondContact SG-NH2 3.06Å
19F98.3Very high97.1Very high0 Ų020.1 Ų20.10%011%0.106CC..EExtended strand (participates in β ladder)trans-136.8153.8165.970.6-82.3000110.7L10 Q11 F12 Y30 V32 L35 I324 Y349L10-F19 HydrophobicContact CD2-CD2 4.3Å; L10-F19 HydrophobicContact CD2-CE2 4.41Å; Q11-F19 CarbonylContact O-C 3.58Å; Q11-F19 VanDerWaalsContact O-CA 3.31Å; Q11-F19 WeakPolarHBondContact O-CA 3.39Å; F12-F19 HydrophobicContact CD1-CB 3.95Å; F12-F19 HydrophobicContact CE1-CB 4.28Å; F19-Y30 HydrophobicContact CD2-CD2 4.11Å; F19-Y30 HydrophobicContact CE1-CD2 4.14Å; F19-Y30 AromaticContact CE1-CG 3.86Å; F19-Y30 HydrophobicContact CE1-CG 3.86Å; F19-Y30 AromaticContact CE2-CD2 3.39Å; F19-Y30 HydrophobicContact CE2-CD2 3.39Å; F19-Y30 HydrophobicContact CE2-CE2 4.07Å; F19-Y30 AromaticContact CE2-CG 3.97Å; F19-Y30 HydrophobicContact CE2-CG 3.97Å; F19-Y30 VanDerWaalsContact CZ-CB 3.44Å; F19-Y30 HydrophobicContact CZ-CD1 4.37Å; F19-Y30 AromaticContact CZ-CD2 3.41Å; F19-Y30 HydrophobicContact CZ-CD2 3.41Å; F19-Y30 VanDerWaalsContact CZ-CD2 3.41Å; F19-Y30 HydrophobicContact CZ-CE2 4.22Å; F19-Y30 AromaticContact CZ-CG 3.5Å; F19-Y30 HydrophobicContact CZ-CG 3.5Å; F19-Y30 VanDerWaalsContact CZ-CG 3.5Å; F19-Y30 PolarHBondContact N-O 3.26Å; F19-Y30 PolarHBondContact O-N 3.26Å; F19-V32 HydrophobicContact CD1-CG2 3.78Å; F19-L35 HydrophobicContact CE1-CD1 3.85Å; F19-L35 HydrophobicContact CZ-CD1 4.22Å; F19-I324 HydrophobicContact CB-CD1 3.85Å; F19-I324 HydrophobicContact CD1-CD1 3.25Å; F19-I324 HydrophobicContact CD2-CD1 3.75Å; F19-I324 HydrophobicContact CD2-CG2 4.08Å; F19-I324 HydrophobicContact CE1-CD1 3.53Å; F19-I324 HydrophobicContact CE2-CD1 4.03Å; F19-I324 HydrophobicContact CE2-CG2 3.7Å; F19-I324 HydrophobicContact CG-CD1 3.34Å; F19-I324 HydrophobicContact CZ-CD1 3.92Å; F19-I324 HydrophobicContact CZ-CG2 4.02Å; F19-Y349 HydrophobicContact CE2-CD2 4.14Å; F19-Y349 HydrophobicContact CE2-CE2 4.21Å; F19-Y349 HydrophobicContact CE2-CG 4.39Å; F19-Y349 HydrophobicContact CZ-CD1 4.43Å; F19-Y349 HydrophobicContact CZ-CD2 4.17Å; F19-Y349 HydrophobicContact CZ-CG 4.06Å
20C98.1Very high97.2Very high1 Ų119 Ų191%0.00710%0.098CC..EExtended strand (participates in β ladder)trans-110.9145.8171.758.60000109.8L10 Q11 K28 I29 C52 M54L10-C20 WeakPolarHBondContact CA-O 3.5Å; Q11-C20 PolarHBondContact N-O 2.91Å; Q11-C20 VanDerWaalsContact N-O 3.07Å; Q11-C20 PolarHBondContact O-N 2.77Å; Q11-C20 PolarHBondContact O-SG 3.19Å; C20-K28 CarbonylContact C-O 3.59Å; C20-K28 WeakPolarHBondContact CA-O 3.1Å; C20-I29 HydrophobicContact CB-CD1 3.43Å; C20-I29 VanDerWaalsContact CB-CD1 3.43Å; C20-C52 HydrophobicContact CB-CB 4.13Å; C20-C52 PolarHBondContact SG-O 2.82Å; C20-M54 HydrophobicContact CB-CG 3.92Å; C20-M54 HydrophobicContact CB-SD 4.08Å
21C97.9Very high97.1Very high0 Ų018.8 Ų18.80%010%0.097CC..EExtended strand (participates in β ladder)trans-123.6105.6-179.7-177.90000107.8L10 M23 V27 K28 Y30 Y349L10-C21 HydrophobicContact CD2-CB 3.8Å; C21-M23 WeakPolarHBondContact SG-CG 3.45Å; C21-V27 WeakPolarHBondContact O-CA 3.47Å; C21-K28 HydrophobicContact CB-CB 4.44Å; C21-K28 PolarHBondContact N-O 3.42Å; C21-K28 PolarHBondContact O-N 2.91Å; C21-Y30 HydrophobicContact CB-CE2 4.3Å; C21-Y349 HydrophobicContact CB-CE2 4.37Å
22A98.1Very high97Very high0 Ų017.1 Ų17.10%09%0.089CC..EExtended strand (participates in β ladder)trans-84.7132.2172.300000108.9N8 S9 V49 C52N8-A22 PolarHBondContact N-O 3.04Å; S9-A22 PolarHBondContact N-O 3.07Å; S9-A22 PolarHBondContact O-N 3.04Å; S9-A22 WeakPolarHBondContact OG-CB 3.43Å; A22-V49 HydrophobicContact CB-CB 4.25Å; A22-V49 HydrophobicContact CB-CG1 3.94Å; A22-C52 HydrophobicContact CB-CB 4.04Å
23M97.4Very high96.7Very high12 Ų1218.4 Ų18.46%0.05910%0.096CC..EExtended strand (participates in β ladder)trans-137.4164.8-167.9-58.2178.667.400111.8G6 V7 C21 T25 G26 K28 V49 L350G6-M23 CarbonylContact O-C 3.53Å; G6-M23 WeakPolarHBondContact O-CA 3.18Å; G6-M23 WeakPolarHBondContact O-CB 3.46Å; V7-M23 HydrophobicContact CG2-CE 4.41Å; V7-M23 HydrophobicContact CG2-CG 4.47Å; C21-M23 WeakPolarHBondContact SG-CG 3.45Å; M23-T25 PolarHBondContact O-N 3.09Å; M23-G26 WeakPolarHBondContact CA-O 3.43Å; M23-G26 PolarHBondContact N-O 2.9Å; M23-G26 PolarHBondContact O-N 2.81Å; M23-K28 HydrophobicContact SD-CD 4.3Å; M23-K28 HydrophobicContact SD-CG 4.17Å; M23-V49 PolarHBondContact O-N 2.83Å; M23-L350 HydrophobicContact CE-CD1 4.29Å; M23-L350 HydrophobicContact CE-CD2 3.53Å; M23-L350 HydrophobicContact SD-CD2 3.78Å
24E96.4Very high96.4Very high38 Ų3822.7 Ų22.718%0.17812%0.124CC..THydrogen-bonded Turntrans-60.2-24.8168.1-68.8-59.3146.800112.6G6 N8 H43 S48 G67 V68G6-E24 PolarHBondContact O-N 2.78Å; N8-E24 PolarHBondContact ND2-OE1 2.83Å; N8-E24 PolarHBondContact OD1-OE1 2.84Å; E24-H43 PolarHBondContact O-CD2 2.89Å; E24-H43 VanDerWaalsContact O-CD2 3.31Å; E24-S48 WeakPolarHBondContact CA-OG 3.46Å; E24-S48 WeakPolarHBondContact O-CA 3.48Å; E24-S48 WeakPolarHBondContact O-CB 3.16Å; E24-S48 PolarHBondContact OE2-OG 3.03Å; E24-G67 WeakPolarHBondContact OE1-CA 3.49Å; E24-V68 PolarHBondContact OE1-N 3.48Å; E24-V68 WeakPolarHBondContact OE2-CA 3.22Å; E24-V68 WeakPolarHBondContact OE2-CB 3.45Å; E24-V68 WeakPolarHBondContact OE2-CG2 3.32Å; E24-V68 PolarHBondContact OE2-N 2.8Å
25T95.3Very high96.4Very high84 Ų8422.8 Ų22.852%0.51513%0.125SC..THydrogen-bonded Turntrans-106.113.4-178.257.30000113.4M23 H43M23-T25 PolarHBondContact O-N 3.09Å; T25-H43 PolarHBondContact O-N 3.22Å
26G95.9Very high96.5Very high0 Ų025 Ų250%014%0.135CC..EExtended strand (participates in β ladder)trans122.4-137.9178.700000113.5M23 L41 G47M23-G26 WeakPolarHBondContact CA-O 3.43Å; M23-G26 PolarHBondContact N-O 2.9Å; M23-G26 PolarHBondContact O-N 2.81Å; G26-L41 CarbonylContact C-O 3.57Å; G26-L41 VanDerWaalsContact CA-O 3.26Å; G26-L41 WeakPolarHBondContact CA-O 3.42Å; G26-G47 WeakPolarHBondContact CA-O 3.43Å; G26-G47 PolarHBondContact N-O 3.44Å
27V96.9Very high96.4Very high2 Ų225 Ų251%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-136.7138.3-176.9177.30000110.1C21 I29 H40 L41 V49 C52 L63C21-V27 WeakPolarHBondContact O-CA 3.47Å; V27-I29 HydrophobicContact CG1-CD1 3.86Å; V27-H40 CarbonylContact O-C 3.58Å; V27-H40 WeakPolarHBondContact O-CA 3.28Å; V27-H40 WeakPolarHBondContact O-CB 3.18Å; V27-L41 HydrophobicContact CB-CB 4.33Å; V27-L41 PolarHBondContact N-O 2.94Å; V27-L41 PolarHBondContact O-N 2.7Å; V27-V49 HydrophobicContact CG2-CB 3.86Å; V27-V49 HydrophobicContact CG2-CG1 3.82Å; V27-V49 HydrophobicContact CG2-CG2 3.75Å; V27-C52 HydrophobicContact CG1-CB 4.07Å; V27-C52 VanDerWaalsContact CG1-SG 3.56Å; V27-C52 HydrophobicContact CG2-CB 4.34Å; V27-L63 HydrophobicContact CG2-CD2 3.95Å
28K97.1Very high96.3Very high47 Ų4730.9 Ų30.920%0.20416%0.16CC..EExtended strand (participates in β ladder)trans-121.8140.3169.2-64.2-165.5162.2-143.10111.4C20 C21 M23 Y30 E37 H40C20-K28 CarbonylContact C-O 3.59Å; C20-K28 WeakPolarHBondContact CA-O 3.1Å; C21-K28 HydrophobicContact CB-CB 4.44Å; C21-K28 PolarHBondContact N-O 3.42Å; C21-K28 PolarHBondContact O-N 2.91Å; M23-K28 HydrophobicContact SD-CD 4.3Å; M23-K28 HydrophobicContact SD-CG 4.17Å; K28-Y30 HydrophobicContact CB-CD2 4.26Å; K28-Y30 HydrophobicContact CB-CE2 3.45Å; K28-Y30 VanDerWaalsContact CB-CE2 3.45Å; K28-Y30 HydrophobicContact CD-CE2 4.28Å; K28-Y30 WeakPolarHBondContact CD-OH 3.39Å; K28-E37 WeakPolarHBondContact CD-OE2 3.42Å; K28-E37 IonicContact NZ-OE1 2.75Å; K28-E37 IonicContact NZ-OE2 3.42Å; K28-E37 PolarHBondContact NZ-OE2 2.75Å; K28-H40 HydrophobicContact CG-CB 3.99Å
29I97.5Very high96.1Very high19 Ų1932 Ų3210%0.09717%0.172CC..EExtended strand (participates in β ladder)trans-115.6130.3178.4-50.6-60.6000108.5C20 V27 K38 G39 M54 L61C20-I29 HydrophobicContact CB-CD1 3.43Å; C20-I29 VanDerWaalsContact CB-CD1 3.43Å; V27-I29 HydrophobicContact CG1-CD1 3.86Å; I29-K38 HydrophobicContact CG2-CB 4.32Å; I29-K38 PolarHBondContact O-N 3.35Å; I29-G39 WeakPolarHBondContact CB-O 3.48Å; I29-G39 PolarHBondContact N-O 2.86Å; I29-M54 HydrophobicContact CD1-CG 4.36Å; I29-M54 HydrophobicContact CD1-SD 4.47Å; I29-M54 HydrophobicContact CG2-CE 3.52Å; I29-M54 HydrophobicContact CG2-SD 3.94Å; I29-L61 HydrophobicContact CD1-CD1 4.14Å; I29-L61 HydrophobicContact CD1-CD2 3.9Å; I29-L61 HydrophobicContact CG1-CD1 4.26Å
30Y97.8Very high95.9Very high0 Ų035.1 Ų35.10%019%0.186CC..EExtended strand (participates in β ladder)trans-126.5140.4-177.3-64.4-88.1000111.3C18 F19 C21 K28 M36 E37 Y349C18-Y30 CarbonylContact C-O 3.39Å; C18-Y30 WeakPolarHBondContact CA-O 3.43Å; C18-Y30 VanDerWaalsContact CB-O 3.24Å; C18-Y30 WeakPolarHBondContact CB-O 3.33Å; F19-Y30 HydrophobicContact CD2-CD2 4.11Å; F19-Y30 HydrophobicContact CE1-CD2 4.14Å; F19-Y30 AromaticContact CE1-CG 3.86Å; F19-Y30 HydrophobicContact CE1-CG 3.86Å; F19-Y30 AromaticContact CE2-CD2 3.39Å; F19-Y30 HydrophobicContact CE2-CD2 3.39Å; F19-Y30 HydrophobicContact CE2-CE2 4.07Å; F19-Y30 AromaticContact CE2-CG 3.97Å; F19-Y30 HydrophobicContact CE2-CG 3.97Å; F19-Y30 VanDerWaalsContact CZ-CB 3.44Å; F19-Y30 HydrophobicContact CZ-CD1 4.37Å; F19-Y30 AromaticContact CZ-CD2 3.41Å; F19-Y30 HydrophobicContact CZ-CD2 3.41Å; F19-Y30 VanDerWaalsContact CZ-CD2 3.41Å; F19-Y30 HydrophobicContact CZ-CE2 4.22Å; F19-Y30 AromaticContact CZ-CG 3.5Å; F19-Y30 HydrophobicContact CZ-CG 3.5Å; F19-Y30 VanDerWaalsContact CZ-CG 3.5Å; F19-Y30 PolarHBondContact N-O 3.26Å; F19-Y30 PolarHBondContact O-N 3.26Å; C21-Y30 HydrophobicContact CB-CE2 4.3Å; K28-Y30 HydrophobicContact CB-CD2 4.26Å; K28-Y30 HydrophobicContact CB-CE2 3.45Å; K28-Y30 VanDerWaalsContact CB-CE2 3.45Å; K28-Y30 HydrophobicContact CD-CE2 4.28Å; K28-Y30 WeakPolarHBondContact CD-OH 3.39Å; Y30-M36 CarbonylContact C-O 3.6Å; Y30-M36 VanDerWaalsContact CA-O 3.31Å; Y30-M36 WeakPolarHBondContact CA-O 3.43Å; Y30-E37 HydrophobicContact CD1-CB 3.99Å; Y30-E37 HydrophobicContact CD1-CG 4.37Å; Y30-E37 HydrophobicContact CE1-CB 3.83Å; Y30-E37 HydrophobicContact CE1-CG 4.07Å; Y30-Y349 HydrophobicContact CD2-CD2 4.34Å; Y30-Y349 HydrophobicContact CE1-CD2 4.43Å; Y30-Y349 VanDerWaalsContact CE1-O 3.29Å; Y30-Y349 WeakPolarHBondContact CE1-O 3.31Å; Y30-Y349 AromaticContact CE2-CD2 3.65Å; Y30-Y349 HydrophobicContact CE2-CD2 3.65Å; Y30-Y349 HydrophobicContact CE2-CE2 4.18Å; Y30-Y349 AromaticContact CZ-CD2 3.71Å; Y30-Y349 PolarHBondContact OH-O 3.45Å
31N97Very high95.7Very high16 Ų1635.4 Ų35.49%0.08619%0.188CC..EExtended strand (participates in β ladder)trans-75.7140.7159.9-173.878.4000108.5E33 P34 L35 M36 K38 R57N31-E33 PolarHBondContact ND2-N 3.39Å; N31-E33 PolarHBondContact ND2-O 3.28Å; N31-P34 CarbonylContact C-O 3.59Å; N31-P34 PolarHBondContact ND2-O 3.21Å; N31-L35 WeakPolarHBondContact O-CA 3.19Å; N31-M36 PolarHBondContact N-O 2.84Å; N31-M36 PolarHBondContact O-N 2.81Å; N31-K38 HydrophobicContact CB-CD 3.93Å; N31-K38 HydrophobicContact CB-CG 3.8Å; N31-R57 PolarHBondContact OD1-NH1 2.88Å; N31-R57 PolarHBondContact OD1-NH2 3.03Å
32V95.8Very high95.4Very high4 Ų439.1 Ų39.12%0.02421%0.208CC..THydrogen-bonded Turntrans-84.5-40.7-174.6171.90000112.1F12 S17 F19 L35 I322 F330F12-V32 HydrophobicContact CD1-CG2 4.2Å; F12-V32 HydrophobicContact CE1-CG2 3.9Å; S17-V32 WeakPolarHBondContact O-CB 3.43Å; S17-V32 PolarHBondContact O-N 3.29Å; F19-V32 HydrophobicContact CD1-CG2 3.78Å; V32-L35 PolarHBondContact O-N 2.94Å; V32-I322 HydrophobicContact CG1-CD1 3.14Å; V32-I322 HydrophobicContact CG1-CG1 4.38Å; V32-I322 HydrophobicContact CG1-CG2 4.27Å; V32-F330 HydrophobicContact CG1-CE2 4.46Å
33E91.5Very high95.2Very high48 Ų4843 Ų4322%0.22423%0.226CC..THydrogen-bonded Turntrans-139.6111.2-179.5-77.2-177.4115.300110.9N31 G311 K312 I322 K332N31-E33 PolarHBondContact ND2-N 3.39Å; N31-E33 PolarHBondContact ND2-O 3.28Å; E33-G311 WeakPolarHBondContact OE2-CA 3.23Å; E33-K312 PolarHBondContact OE2-N 3.14Å; E33-I322 HydrophobicContact CG-CD1 4.02Å; E33-K332 WeakPolarHBondContact OE1-CE 3.25Å; E33-K332 IonicContact OE1-NZ 3.88Å; E33-K332 PolarHBondContact OE1-NZ 2.83Å
34P92.8Very high95Very high95 Ų9550.7 Ų50.762%0.61726%0.261SS*.THydrogen-bonded Turncis-63.6152.9-1030.6-36000111.8N31 M36N31-P34 CarbonylContact C-O 3.59Å; N31-P34 PolarHBondContact ND2-O 3.21Å; P34-M36 PolarHBondContact O-N 2.8Å
35L95.9Very high94.8Very high32 Ų3251.3 Ų51.317%0.16826%0.264CS..THydrogen-bonded Turntrans-65116.6173.8179.665.1000109.1F19 N31 V32 F330 D347 I352F19-L35 HydrophobicContact CE1-CD1 3.85Å; F19-L35 HydrophobicContact CZ-CD1 4.22Å; N31-L35 WeakPolarHBondContact O-CA 3.19Å; V32-L35 PolarHBondContact O-N 2.94Å; L35-F330 HydrophobicContact CB-CE1 4.5Å; L35-F330 HydrophobicContact CB-CZ 4.38Å; L35-F330 HydrophobicContact CD1-CD2 3.77Å; L35-F330 HydrophobicContact CD1-CE2 3.89Å; L35-F330 HydrophobicContact CD1-CG 4.31Å; L35-F330 HydrophobicContact CD2-CB 3.82Å; L35-F330 HydrophobicContact CD2-CD1 3.78Å; L35-F330 HydrophobicContact CD2-CD2 3.93Å; L35-F330 HydrophobicContact CD2-CE1 4.28Å; L35-F330 HydrophobicContact CD2-CE2 4.4Å; L35-F330 HydrophobicContact CD2-CG 3.59Å; L35-F330 HydrophobicContact CG-CD2 4.39Å; L35-F330 HydrophobicContact CG-CG 4.49Å; L35-D347 HydrophobicContact CD2-CB 3.56Å; L35-I352 HydrophobicContact CD1-CD1 4.36Å; L35-I352 HydrophobicContact CD2-CD1 3.52Å; L35-I352 HydrophobicContact CG-CD1 3.54Å
36M95.6Very high94.7Very high98 Ų9847.3 Ų47.348%0.48324%0.24SC..EExtended strand (participates in β ladder)trans-157.7136.4-174.9179179.3-79.600110.2Y30 N31 P34Y30-M36 CarbonylContact C-O 3.6Å; Y30-M36 VanDerWaalsContact CA-O 3.31Å; Y30-M36 WeakPolarHBondContact CA-O 3.43Å; N31-M36 PolarHBondContact N-O 2.84Å; N31-M36 PolarHBondContact O-N 2.81Å; P34-M36 PolarHBondContact O-N 2.8Å
37E95.3Very high94.7Very high17 Ų1747.4 Ų47.48%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-66.6132.1171.1-166.6167.9146.600109.8K28 Y30 H40K28-E37 WeakPolarHBondContact CD-OE2 3.42Å; K28-E37 IonicContact NZ-OE1 2.75Å; K28-E37 IonicContact NZ-OE2 3.42Å; K28-E37 PolarHBondContact NZ-OE2 2.75Å; Y30-E37 HydrophobicContact CD1-CB 3.99Å; Y30-E37 HydrophobicContact CD1-CG 4.37Å; Y30-E37 HydrophobicContact CE1-CB 3.83Å; Y30-E37 HydrophobicContact CE1-CG 4.07Å; E37-H40 WeakPolarHBondContact OE1-CB 3.19Å; E37-H40 IonicContact OE1-CE1 3.67Å; E37-H40 IonicContact OE1-CG 3.66Å; E37-H40 IonicContact OE1-ND1 3.71Å; E37-H40 PolarHBondContact OE1-ND1 2.69Å
38K94.1Very high94.7Very high130 Ų13047.3 Ų47.357%0.56524%0.24SC*.EExtended strand (participates in β ladder)trans-104.8-18.8-179-69.9-54.4-54.6161.80112.8I29 N31I29-K38 HydrophobicContact CG2-CB 4.32Å; I29-K38 PolarHBondContact O-N 3.35Å; N31-K38 HydrophobicContact CB-CD 3.93Å; N31-K38 HydrophobicContact CB-CG 3.8Å
39G92.6Very high94.8Very high28 Ų2845.1 Ų45.129%0.28923%0.231SC..EExtended strand (participates in β ladder)trans159.5161.5-178.800000110.4I29I29-G39 WeakPolarHBondContact CB-O 3.48Å; I29-G39 PolarHBondContact N-O 2.86Å
40H94.3Very high94.8Very high66 Ų6645.6 Ų45.631%0.30624%0.237SC..EExtended strand (participates in β ladder)trans-141.9163.9178.956.9-98.1000110.9V27 K28 E37 D42 D354V27-H40 CarbonylContact O-C 3.58Å; V27-H40 WeakPolarHBondContact O-CA 3.28Å; V27-H40 WeakPolarHBondContact O-CB 3.18Å; K28-H40 HydrophobicContact CG-CB 3.99Å; E37-H40 WeakPolarHBondContact OE1-CB 3.19Å; E37-H40 IonicContact OE1-CE1 3.67Å; E37-H40 IonicContact OE1-CG 3.66Å; E37-H40 IonicContact OE1-ND1 3.71Å; E37-H40 PolarHBondContact OE1-ND1 2.69Å; H40-D42 IonicContact CD2-OD1 2.78Å; H40-D42 PolarHBondContact CD2-OD1 3.35Å; H40-D42 IonicContact CD2-OD2 2.78Å; H40-D42 IonicContact NE2-OD1 3.44Å; H40-D42 IonicContact NE2-OD2 3.89Å; H40-D354 IonicContact CE1-OD2 3.58Å
41L93.9Very high94.8Very high7 Ų747.3 Ų47.34%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-122.4119.4167-57.6176.7000107.2G26 V27 Q45 V46 L61 L63 W80G26-L41 CarbonylContact C-O 3.57Å; G26-L41 VanDerWaalsContact CA-O 3.26Å; G26-L41 WeakPolarHBondContact CA-O 3.42Å; V27-L41 HydrophobicContact CB-CB 4.33Å; V27-L41 PolarHBondContact N-O 2.94Å; V27-L41 PolarHBondContact O-N 2.7Å; L41-Q45 VanDerWaalsContact CA-OE1 3.31Å; L41-V46 HydrophobicContact CB-CG1 4.06Å; L41-V46 HydrophobicContact CB-CG2 3.91Å; L41-V46 HydrophobicContact CD1-CG1 4.02Å; L41-L61 HydrophobicContact CD1-CD1 4.31Å; L41-L63 HydrophobicContact CD1-CD1 3.73Å; L41-W80 HydrophobicContact CD1-CD2 3.98Å; L41-W80 HydrophobicContact CD1-CE3 4.48Å; L41-W80 HydrophobicContact CD1-CG 4.04Å; L41-W80 HydrophobicContact CD2-CD2 4.32Å; L41-W80 HydrophobicContact CD2-CH2 4.49Å; L41-W80 HydrophobicContact CD2-CZ2 3.64Å
42D93Very high94.9Very high79 Ų7946.6 Ų46.642%0.42224%0.243SC..EExtended strand (participates in β ladder)trans-79.2165.8-174-69.5-39.3000113.1H40 E44 Q45 V46H40-D42 IonicContact CD2-OD1 2.78Å; H40-D42 PolarHBondContact CD2-OD1 3.35Å; H40-D42 IonicContact CD2-OD2 2.78Å; H40-D42 IonicContact NE2-OD1 3.44Å; H40-D42 IonicContact NE2-OD2 3.89Å; D42-E44 PolarHBondContact O-N 2.6Å; D42-E44 VanDerWaalsContact O-N 3.17Å; D42-Q45 WeakPolarHBondContact O-CB 3.43Å; D42-Q45 PolarHBondContact O-N 2.93Å; D42-V46 WeakPolarHBondContact O-CG2 3.39Å; D42-V46 PolarHBondContact O-N 3.2Å
43H93.4Very high95Very high82 Ų8246.4 Ų46.438%0.3824%0.242SC..Hα-helixtrans-54-35176-175.4-90.8000112.7E24 T25 Q45 G47E24-H43 PolarHBondContact O-CD2 2.89Å; E24-H43 VanDerWaalsContact O-CD2 3.31Å; T25-H43 PolarHBondContact O-N 3.22Å; H43-Q45 VanDerWaalsContact C-N 3.31Å; H43-Q45 PolarHBondContact O-N 3.04Å; H43-G47 WeakPolarHBondContact O-CA 3.29Å; H43-G47 PolarHBondContact O-N 3.33Å
44E92.6Very high95.3Very high172 Ų17244.7 Ų44.780%0.80423%0.234SC*.Hα-helixtrans-66.1-35.5176.7-64.1-172.4173.800112.3D42 K71D42-E44 PolarHBondContact O-N 2.6Å; D42-E44 VanDerWaalsContact O-N 3.17Å; E44-K71 PolarHBondContact O-NZ 2.86Å
45Q92.1Very high95.4Very high51 Ų5140.5 Ų40.524%0.23821%0.206CC..Hα-helixtrans-75-50.2-179.9-64.3174.8-61.300110.7L41 D42 H43 K71 W80 P89L41-Q45 VanDerWaalsContact CA-OE1 3.31Å; D42-Q45 WeakPolarHBondContact O-CB 3.43Å; D42-Q45 PolarHBondContact O-N 2.93Å; H43-Q45 VanDerWaalsContact C-N 3.31Å; H43-Q45 PolarHBondContact O-N 3.04Å; Q45-K71 WeakPolarHBondContact O-CD 3.44Å; Q45-K71 PolarHBondContact O-NZ 2.88Å; Q45-W80 HydrophobicContact CB-CH2 4.44Å; Q45-P89 HydrophobicContact CG-CB 4.34Å
46V94.2Very high95.4Very high0 Ų040.5 Ų40.50%021%0.205CC..Hα-helixtrans-124.5-6.5-167.3-60.50000116.1L41 D42 V49 L63 K71 F72 W80L41-V46 HydrophobicContact CB-CG1 4.06Å; L41-V46 HydrophobicContact CB-CG2 3.91Å; L41-V46 HydrophobicContact CD1-CG1 4.02Å; D42-V46 WeakPolarHBondContact O-CG2 3.39Å; D42-V46 PolarHBondContact O-N 3.2Å; V46-V49 HydrophobicContact CB-CG2 4.06Å; V46-V49 HydrophobicContact CG2-CG2 3.67Å; V46-L63 HydrophobicContact CG1-CD1 3.99Å; V46-K71 WeakPolarHBondContact O-CB 3.45Å; V46-F72 HydrophobicContact CB-CE2 4.1Å; V46-F72 HydrophobicContact CG1-CE2 4.18Å; V46-W80 HydrophobicContact CG1-CE3 4.48Å; V46-W80 HydrophobicContact CG1-CZ3 4.19Å
47G95.1Very high95.4Very high2 Ų241.8 Ų41.82%0.02121%0.205CC..EExtended strand (participates in β ladder)trans63.3-154.3-172.300000112.1G26 H43G26-G47 WeakPolarHBondContact CA-O 3.43Å; G26-G47 PolarHBondContact N-O 3.44Å; H43-G47 WeakPolarHBondContact O-CA 3.29Å; H43-G47 PolarHBondContact O-N 3.33Å
48S97.3Very high95.3Very high0 Ų043.3 Ų43.30%022%0.217CC..EExtended strand (participates in β ladder)trans-72.4136.5169.21750000111.8N8 E24 G66 G67 N69N8-S48 PolarHBondContact ND2-OG 2.69Å; E24-S48 WeakPolarHBondContact CA-OG 3.46Å; E24-S48 WeakPolarHBondContact O-CA 3.48Å; E24-S48 WeakPolarHBondContact O-CB 3.16Å; E24-S48 PolarHBondContact OE2-OG 3.03Å; S48-G66 CarbonylContact C-O 3.23Å; S48-G66 VanDerWaalsContact C-O 3.23Å; S48-G66 WeakPolarHBondContact CB-O 3.45Å; S48-G66 PolarHBondContact O-N 2.79Å; S48-G66 VanDerWaalsContact O-O 3.05Å; S48-G66 PolarHBondContact OG-O 3.33Å; S48-G67 WeakPolarHBondContact OG-CA 3.26Å; S48-N69 PolarHBondContact N-O 3.15Å
49V98Very high95.3Very high2 Ų240.2 Ų40.21%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-119.6129.3-177.5-177.10000109.5N8 A22 M23 V27 V46 L51 V64N8-V49 WeakPolarHBondContact CB-O 3.49Å; N8-V49 PolarHBondContact ND2-O 3.27Å; A22-V49 HydrophobicContact CB-CB 4.25Å; A22-V49 HydrophobicContact CB-CG1 3.94Å; M23-V49 PolarHBondContact O-N 2.83Å; V27-V49 HydrophobicContact CG2-CB 3.86Å; V27-V49 HydrophobicContact CG2-CG1 3.82Å; V27-V49 HydrophobicContact CG2-CG2 3.75Å; V46-V49 HydrophobicContact CB-CG2 4.06Å; V46-V49 HydrophobicContact CG2-CG2 3.67Å; V49-L51 VanDerWaalsContact CG1-O 3.24Å; V49-L51 WeakPolarHBondContact CG1-O 3.49Å; V49-V64 WeakPolarHBondContact CG1-O 3.4Å
50A97.9Very high95.4Very high28 Ų2839.8 Ų39.823%0.23120%0.198CC..EExtended strand (participates in β ladder)trans-85.4-44.3177.100000111.9S9 V64S9-A50 WeakPolarHBondContact CB-O 3.28Å; S9-A50 PolarHBondContact OG-O 2.84Å; A50-V64 PolarHBondContact N-O 2.96Å
51L98.4Very high95.6Very high36 Ų3637.3 Ų37.319%0.18819%0.187CC..EExtended strand (participates in β ladder)trans-130.7136.4-177.5-53171.3000110.5V49 L63 V64 V103V49-L51 VanDerWaalsContact CG1-O 3.24Å; V49-L51 WeakPolarHBondContact CG1-O 3.49Å; L51-L63 WeakPolarHBondContact O-CA 3.18Å; L51-V64 HydrophobicContact CB-CB 3.97Å; L51-V64 HydrophobicContact CB-CG2 4.15Å; L51-V64 HydrophobicContact CD1-CB 4.21Å; L51-V64 HydrophobicContact CD1-CG2 4.12Å; L51-V64 HydrophobicContact CG-CB 4.32Å; L51-V64 PolarHBondContact N-O 3.43Å; L51-V64 PolarHBondContact O-N 2.86Å; L51-V103 HydrophobicContact CD1-CG1 4.45Å
52C98.2Very high95.8Very high1 Ų137 Ų371%0.00719%0.185CC..EExtended strand (participates in β ladder)trans-127.7137166-175.60000108.3Q11 C20 A22 V27 A62 L63Q11-C52 PolarHBondContact OE1-O 3.3Å; C20-C52 HydrophobicContact CB-CB 4.13Å; C20-C52 PolarHBondContact SG-O 2.82Å; A22-C52 HydrophobicContact CB-CB 4.04Å; V27-C52 HydrophobicContact CG1-CB 4.07Å; V27-C52 VanDerWaalsContact CG1-SG 3.56Å; V27-C52 HydrophobicContact CG2-CB 4.34Å; C52-A62 CarbonylContact C-O 3.51Å; C52-A62 WeakPolarHBondContact CA-O 3.29Å; C52-L63 HydrophobicContact CB-CD2 4.13Å
53S98Very high96.1Very high1 Ų133.5 Ų33.51%0.00717%0.166CC..EExtended strand (participates in β ladder)trans-133.6133.4171.2-177.10000109.7Q11 A62 M108Q11-S53 PolarHBondContact NE2-OG 3.16Å; S53-A62 PolarHBondContact N-O 2.82Å; S53-A62 PolarHBondContact O-N 2.64Å; S53-M108 WeakPolarHBondContact O-CE 3.09Å
54M97.7Very high96.3Very high11 Ų1129.7 Ų29.75%0.05415%0.149CC..EExtended strand (participates in β ladder)trans-87.3151174.7-56.9174.26900111N13 Q14 C18 C20 I29 L61 M108N13-M54 HydrophobicContact CB-CB 3.99Å; N13-M54 HydrophobicContact CB-CE 4.42Å; N13-M54 HydrophobicContact CB-SD 3.98Å; Q14-M54 PolarHBondContact NE2-O 3.09Å; Q14-M54 PolarHBondContact OE1-O 3.45Å; C18-M54 HydrophobicContact CB-CE 3.58Å; C18-M54 HydrophobicContact CB-SD 3.87Å; C20-M54 HydrophobicContact CB-CG 3.92Å; C20-M54 HydrophobicContact CB-SD 4.08Å; I29-M54 HydrophobicContact CD1-CG 4.36Å; I29-M54 HydrophobicContact CD1-SD 4.47Å; I29-M54 HydrophobicContact CG2-CE 3.52Å; I29-M54 HydrophobicContact CG2-SD 3.94Å; M54-L61 HydrophobicContact CB-CD2 4.35Å; M54-L61 HydrophobicContact CG-CD2 3.85Å; M54-M108 WeakPolarHBondContact O-CE 3.5Å
55L96.7Very high96.5Very high8 Ų821.6 Ų21.64%0.04211%0.112CC..  trans-99.393.8162.5177.864.2000109.6R57 S58 L60 M108 R109 F126L55-R57 PolarHBondContact O-N 2.9Å; L55-R57 VanDerWaalsContact O-N 3.17Å; L55-S58 WeakPolarHBondContact O-CB 3.48Å; L55-S58 PolarHBondContact O-N 3.41Å; L55-S58 PolarHBondContact O-OG 2.97Å; L55-L60 HydrophobicContact CB-CB 4.34Å; L55-L60 HydrophobicContact CD2-CD1 4.15Å; L55-L60 PolarHBondContact N-O 2.87Å; L55-M108 HydrophobicContact CB-CE 3.96Å; L55-M108 HydrophobicContact CB-SD 4.45Å; L55-M108 HydrophobicContact CD1-CB 4Å; L55-R109 WeakPolarHBondContact CD1-O 3.39Å; L55-F126 HydrophobicContact CD2-CD1 4.36Å; L55-F126 HydrophobicContact CD2-CE1 3.99Å
56H94.8Very high96.7Very high31 Ų3119.5 Ų19.514%0.14410%0.104CC..THydrogen-bonded Turntrans50.9-119.1-174.9-64.7-92000111.3N13 Q14 H110N13-H56 WeakPolarHBondContact CB-O 3.34Å; N13-H56 PolarHBondContact ND2-O 3.45Å; Q14-H56 VanDerWaalsContact OE1-CA 3.26Å; H56-H110 AromaticContact CD2-CD2 3.83Å; H56-H110 AromaticContact CD2-CE1 3.46Å; H56-H110 PolarHBondContact CD2-CE1 3.47Å; H56-H110 VanDerWaalsContact CD2-CE1 3.46Å; H56-H110 AromaticContact CD2-NE2 3.32Å; H56-H110 PolarHBondContact CD2-NE2 3.26Å; H56-H110 VanDerWaalsContact CD2-NE2 3.32Å; H56-H110 AromaticContact CE1-NE2 3.74Å; H56-H110 AromaticContact CG-CE1 3.93Å; H56-H110 AromaticContact CG-NE2 3.82Å; H56-H110 AromaticContact NE2-CD2 3.53Å; H56-H110 AromaticContact NE2-CE1 3.93Å; H56-H110 AromaticContact NE2-NE2 3.31Å; H56-H110 PolarHBondContact NE2-NE2 3.2Å
57R94.8Very high96.7Very high126 Ų12621.8 Ų21.848%0.47513%0.127SC..THydrogen-bonded Turntrans-116.629.4171.9-67.6-170.7170.5-131.5-9.6111.4S17 C18 N31 L55S17-R57 PolarHBondContact O-NH2 3.42Å; S17-R57 VanDerWaalsContact OG-CZ 3.3Å; S17-R57 PolarHBondContact OG-NE 3Å; S17-R57 PolarHBondContact OG-NH2 2.94Å; C18-R57 VanDerWaalsContact SG-CZ 3.52Å; C18-R57 PolarHBondContact SG-NH2 3.06Å; N31-R57 PolarHBondContact OD1-NH1 2.88Å; N31-R57 PolarHBondContact OD1-NH2 3.03Å; L55-R57 PolarHBondContact O-N 2.9Å; L55-R57 VanDerWaalsContact O-N 3.17Å
58S94.8Very high96.6Very high48 Ų4826.8 Ų26.834%0.33616%0.157SC..SBendtrans-80.5175.117382.70000111.3L55 L60L55-S58 WeakPolarHBondContact O-CB 3.48Å; L55-S58 PolarHBondContact O-N 3.41Å; L55-S58 PolarHBondContact O-OG 2.97Å; S58-L60 PolarHBondContact O-N 3.48Å; S58-L60 PolarHBondContact OG-N 3.45Å; S58-L60 VanDerWaalsContact OG-N 3.16Å
59N93Very high96.5Very high65 Ų6531.8 Ų31.835%0.34818%0.184SC..SBendtrans-74.4-3.817355-57.6000114.3D81 D82 A83N59-D81 VanDerWaalsContact ND2-CG 3.27Å; N59-D81 PolarHBondContact ND2-OD1 3.16Å; N59-D82 PolarHBondContact O-N 3.47Å; N59-A83 HydrophobicContact CB-CB 3.66Å
60L96.1Very high96.4Very high19 Ų1934.6 Ų34.610%0.09920%0.202CC..EExtended strand (participates in β ladder)trans-93.8124-176.4-62-179.2000111.6L55 S58 I79 W80 D81 F126 P127L55-L60 HydrophobicContact CB-CB 4.34Å; L55-L60 HydrophobicContact CD2-CD1 4.15Å; L55-L60 PolarHBondContact N-O 2.87Å; S58-L60 PolarHBondContact O-N 3.48Å; S58-L60 PolarHBondContact OG-N 3.45Å; S58-L60 VanDerWaalsContact OG-N 3.16Å; L60-I79 HydrophobicContact CD2-CG2 4.21Å; L60-W80 WeakPolarHBondContact CA-O 3.39Å; L60-D81 HydrophobicContact CD2-CB 3.86Å; L60-F126 HydrophobicContact CD1-CE1 3.74Å; L60-F126 HydrophobicContact CD1-CZ 3.95Å; L60-P127 HydrophobicContact CD1-CB 3.81Å; L60-P127 HydrophobicContact CD1-CG 4.46Å
61L97.3Very high96.3Very high15 Ų1538.1 Ų38.18%0.07921%0.212CC..EExtended strand (participates in β ladder)trans-118.8134.8173.4-58174.8000109.7I29 L41 M54 L63 I79 W80I29-L61 HydrophobicContact CD1-CD1 4.14Å; I29-L61 HydrophobicContact CD1-CD2 3.9Å; I29-L61 HydrophobicContact CG1-CD1 4.26Å; L41-L61 HydrophobicContact CD1-CD1 4.31Å; M54-L61 HydrophobicContact CB-CD2 4.35Å; M54-L61 HydrophobicContact CG-CD2 3.85Å; L61-L63 HydrophobicContact CB-CD2 4.32Å; L61-I79 CarbonylContact O-C 3.53Å; L61-I79 WeakPolarHBondContact O-CA 3.49Å; L61-W80 HydrophobicContact CB-CB 4.28Å; L61-W80 PolarHBondContact N-O 2.7Å; L61-W80 PolarHBondContact O-N 2.88Å
62A98.3Very high96.2Very high1 Ų139 Ų391%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-98.8125.6168.300000109.8C52 S53 V77 L78 I79 V106 M108 I113C52-A62 CarbonylContact C-O 3.51Å; C52-A62 WeakPolarHBondContact CA-O 3.29Å; S53-A62 PolarHBondContact N-O 2.82Å; S53-A62 PolarHBondContact O-N 2.64Å; A62-V77 HydrophobicContact CB-CG1 4.14Å; A62-L78 CarbonylContact C-O 3.44Å; A62-L78 WeakPolarHBondContact CA-O 3.38Å; A62-I79 HydrophobicContact CB-CD1 3.78Å; A62-V106 HydrophobicContact CB-CG1 3.82Å; A62-M108 HydrophobicContact CB-CE 3.74Å; A62-M108 HydrophobicContact CB-SD 3.77Å; A62-I113 HydrophobicContact CB-CD1 4.48Å
63L98.4Very high96.1Very high4 Ų441.6 Ų41.62%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-119.8141.3-175.4-52.7179.5000110.3V27 L41 V46 L51 C52 L61 V77 L78 W80V27-L63 HydrophobicContact CG2-CD2 3.95Å; L41-L63 HydrophobicContact CD1-CD1 3.73Å; V46-L63 HydrophobicContact CG1-CD1 3.99Å; L51-L63 WeakPolarHBondContact O-CA 3.18Å; C52-L63 HydrophobicContact CB-CD2 4.13Å; L61-L63 HydrophobicContact CB-CD2 4.32Å; L63-V77 WeakPolarHBondContact O-CA 3.12Å; L63-L78 HydrophobicContact CB-CB 4.29Å; L63-L78 PolarHBondContact N-O 3.4Å; L63-L78 PolarHBondContact O-N 2.89Å; L63-W80 HydrophobicContact CD1-CB 4.17Å
64V98.6Very high96.1Very high2 Ų246.6 Ų46.61%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-128124.6169.2-177.10000108V49 A50 L51 V77 V103 V106V49-V64 WeakPolarHBondContact CG1-O 3.4Å; A50-V64 PolarHBondContact N-O 2.96Å; L51-V64 HydrophobicContact CB-CB 3.97Å; L51-V64 HydrophobicContact CB-CG2 4.15Å; L51-V64 HydrophobicContact CD1-CB 4.21Å; L51-V64 HydrophobicContact CD1-CG2 4.12Å; L51-V64 HydrophobicContact CG-CB 4.32Å; L51-V64 PolarHBondContact N-O 3.43Å; L51-V64 PolarHBondContact O-N 2.86Å; V64-V77 HydrophobicContact CG2-CG2 4.02Å; V64-V103 HydrophobicContact CG1-CB 4.11Å; V64-V103 HydrophobicContact CG2-CB 4.24Å; V64-V103 HydrophobicContact CG2-CG1 3.97Å; V64-V106 HydrophobicContact CG2-CG2 3.95Å
65G97.6Very high96.1Very high2 Ų248.4 Ų48.42%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-67.4150.5177.200000111.9F72 E74G65-F72 WeakPolarHBondContact CA-O 3.49Å; G65-E74 WeakPolarHBondContact O-CA 3.49Å; G65-E74 WeakPolarHBondContact O-CB 3.39Å
66G95.8Very high96.2Very high7 Ų748.2 Ų48.27%0.07227%0.265CS..EExtended strand (participates in β ladder)trans168.5-163.9172.500000110.4S48S48-G66 CarbonylContact C-O 3.23Å; S48-G66 VanDerWaalsContact C-O 3.23Å; S48-G66 WeakPolarHBondContact CB-O 3.45Å; S48-G66 PolarHBondContact O-N 2.79Å; S48-G66 VanDerWaalsContact O-O 3.05Å; S48-G66 PolarHBondContact OG-O 3.33Å
67G92.9Very high96.4Very high48 Ų4846.8 Ų46.850%0.49526%0.258SS..EExtended strand (participates in β ladder)trans79.7-154.3-172.500000112.5E24 S48E24-G67 WeakPolarHBondContact OE1-CA 3.49Å; S48-G67 WeakPolarHBondContact OG-CA 3.26Å
68V94.3Very high96.5Very high108 Ų10840.9 Ų40.966%0.65524%0.236SC*.EExtended strand (participates in β ladder)trans-76.8-46.8-170.3-177.70000111.8E24 P70E24-V68 PolarHBondContact OE1-N 3.48Å; E24-V68 WeakPolarHBondContact OE2-CA 3.22Å; E24-V68 WeakPolarHBondContact OE2-CB 3.45Å; E24-V68 WeakPolarHBondContact OE2-CG2 3.32Å; E24-V68 PolarHBondContact OE2-N 2.8Å; V68-P70 VanDerWaalsContact C-CD 3.45Å; V68-P70 WeakPolarHBondContact O-CD 3.24Å
69N95.3Very high96.6Very high104 Ų10438.6 Ų38.656%0.55622%0.221SC*.EExtended strand (participates in β ladder)trans-126.464.6-175-66.3-39.9000112.7S48S48-N69 PolarHBondContact N-O 3.15Å
70P96.5Very high96.7Very high62 Ų6235.8 Ų35.840%0.40321%0.205SC..EExtended strand (participates in β ladder)trans-72.7133.8-178.729.4-34.4000112.3V68 F72V68-P70 VanDerWaalsContact C-CD 3.45Å; V68-P70 WeakPolarHBondContact O-CD 3.24Å; P70-F72 WeakPolarHBondContact CB-O 3.39Å
71K95.7Very high96.7Very high101 Ų10135.9 Ų35.944%0.43921%0.206SC..SBendtrans-81-24.3169.9-169.4176.3-178.6-179.30112.3E44 Q45 V46E44-K71 PolarHBondContact O-NZ 2.86Å; Q45-K71 WeakPolarHBondContact O-CD 3.44Å; Q45-K71 PolarHBondContact O-NZ 2.88Å; V46-K71 WeakPolarHBondContact O-CB 3.45Å
72F95.6Very high96.2Very high55 Ų5538.9 Ų38.924%0.24122%0.222CC..SBendtrans-123155.6-175.6-57-65.5000111.2V46 G65 P70 L78V46-F72 HydrophobicContact CB-CE2 4.1Å; V46-F72 HydrophobicContact CG1-CE2 4.18Å; G65-F72 WeakPolarHBondContact CA-O 3.49Å; P70-F72 WeakPolarHBondContact CB-O 3.39Å; F72-L78 HydrophobicContact CB-CD1 3.56Å; F72-L78 HydrophobicContact CD1-CD1 3.4Å; F72-L78 VanDerWaalsContact CD1-CD1 3.4Å; F72-L78 HydrophobicContact CD2-CD1 3.36Å; F72-L78 HydrophobicContact CE1-CD1 3.79Å; F72-L78 HydrophobicContact CE2-CD1 3.72Å; F72-L78 HydrophobicContact CG-CD1 3.16Å; F72-L78 HydrophobicContact CZ-CD1 3.94Å
73S96.9Very high95.7Very high56 Ų5642 Ų4239%0.39225%0.248SC..  trans-73.1146-176.2-171.70000112.8I75 S76S73-I75 PolarHBondContact O-N 2.78Å; S73-I75 WeakPolarHBondContact OG-CG1 3.25Å; S73-I75 PolarHBondContact OG-N 3.24Å; S73-S76 PolarHBondContact O-N 2.93Å
74E97.4Very high95Very high106 Ų10648.1 Ų48.150%0.49527%0.271SS..THydrogen-bonded Turntrans-69-10.1172.964.3175.1-176.900113.9G65 P102 V103G65-E74 WeakPolarHBondContact O-CA 3.49Å; G65-E74 WeakPolarHBondContact O-CB 3.39Å; E74-P102 HydrophobicContact CG-CB 4.14Å; E74-P102 HydrophobicContact CG-CG 4.16Å; E74-P102 WeakPolarHBondContact O-CA 3.11Å; E74-P102 WeakPolarHBondContact OE1-CG 3.4Å; E74-V103 PolarHBondContact O-N 3.16Å
75I98.3Very high93.9Very high48 Ų4857.5 Ų57.525%0.24631%0.314CS..THydrogen-bonded Turntrans-97-1.7176.481.8-165.4000112.5S73 T98 F99S73-I75 PolarHBondContact O-N 2.78Å; S73-I75 WeakPolarHBondContact OG-CG1 3.25Å; S73-I75 PolarHBondContact OG-N 3.24Å; I75-T98 HydrophobicContact CD1-CG2 4.47Å; I75-T98 HydrophobicContact CG1-CG2 4.2Å; I75-F99 WeakPolarHBondContact CB-O 3.04Å; I75-F99 WeakPolarHBondContact CD1-O 3.42Å; I75-F99 WeakPolarHBondContact CG1-O 3.47Å; I75-F99 WeakPolarHBondContact O-CD2 3.42Å; I75-F99 PolarHBondContact O-N 2.88Å
76S97.8Very high92.7Very high5 Ų560 Ų604%0.03533%0.331CS..EExtended strand (participates in β ladder)trans-111.1133.8179.8-72.80000111S73 E96 F97S73-S76 PolarHBondContact O-N 2.93Å; S76-E96 VanDerWaalsContact CB-OE1 3.28Å; S76-E96 WeakPolarHBondContact CB-OE1 3.38Å; S76-E96 PolarHBondContact OG-OE1 3.29Å; S76-F97 CarbonylContact C-O 3.57Å; S76-F97 VanDerWaalsContact CA-O 3.29Å; S76-F97 WeakPolarHBondContact CA-O 3.3Å
77V98.5Very high91.6Very high0 Ų072 Ų720%037%0.374CS..EExtended strand (participates in β ladder)trans-100.3120.8165.9-173.90000108.5A62 L63 V64 I79 E96 F97 F99 V103 V106 I113 I115A62-V77 HydrophobicContact CB-CG1 4.14Å; L63-V77 WeakPolarHBondContact O-CA 3.12Å; V64-V77 HydrophobicContact CG2-CG2 4.02Å; V77-I79 HydrophobicContact CG1-CD1 4.32Å; V77-E96 CarbonylContact O-C 3.5Å; V77-E96 WeakPolarHBondContact O-CA 3.19Å; V77-F97 HydrophobicContact CB-CB 4.23Å; V77-F97 HydrophobicContact CB-CD2 4.3Å; V77-F97 PolarHBondContact N-O 3.38Å; V77-F97 PolarHBondContact O-N 3.05Å; V77-F99 HydrophobicContact CG2-CE2 4.13Å; V77-V103 HydrophobicContact CG2-CB 4.36Å; V77-V103 HydrophobicContact CG2-CG1 3.93Å; V77-V103 HydrophobicContact CG2-CG2 3.83Å; V77-V106 HydrophobicContact CG1-CG1 4.4Å; V77-V106 HydrophobicContact CG1-CG2 3.98Å; V77-V106 HydrophobicContact CG2-CG2 3.92Å; V77-I113 HydrophobicContact CG1-CD1 4.36Å; V77-I115 HydrophobicContact CB-CD1 4.28Å; V77-I115 HydrophobicContact CG2-CD1 3.94Å; V77-I115 HydrophobicContact CG2-CG1 4.11Å; V77-I115 HydrophobicContact CG2-CG2 3.97Å
78L97.6Very high90.8Very high2 Ų273 Ų731%0.0137%0.368CS..EExtended strand (participates in β ladder)trans-105.1131.2-178.1-64.7-176.1000109.8A62 L63 F72 L93 E96A62-L78 CarbonylContact C-O 3.44Å; A62-L78 WeakPolarHBondContact CA-O 3.38Å; L63-L78 HydrophobicContact CB-CB 4.29Å; L63-L78 PolarHBondContact N-O 3.4Å; L63-L78 PolarHBondContact O-N 2.89Å; F72-L78 HydrophobicContact CB-CD1 3.56Å; F72-L78 HydrophobicContact CD1-CD1 3.4Å; F72-L78 VanDerWaalsContact CD1-CD1 3.4Å; F72-L78 HydrophobicContact CD2-CD1 3.36Å; F72-L78 HydrophobicContact CE1-CD1 3.79Å; F72-L78 HydrophobicContact CE2-CD1 3.72Å; F72-L78 HydrophobicContact CG-CD1 3.16Å; F72-L78 HydrophobicContact CZ-CD1 3.94Å; L78-L93 HydrophobicContact CB-CD1 3.5Å; L78-L93 VanDerWaalsContact CB-CD1 3.5Å; L78-L93 HydrophobicContact CD1-CD1 4.26Å; L78-L93 HydrophobicContact CD2-CD1 3.84Å; L78-L93 HydrophobicContact CD2-CD2 4.08Å; L78-L93 HydrophobicContact CG-CD1 4.05Å; L78-E96 HydrophobicContact CD2-CB 3.88Å; L78-E96 HydrophobicContact CD2-CG 3.67Å
79I97.6Very high89.7Confident1 Ų170.4 Ų70.41%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-103.3115176.1-51.8-60.8000108.7L60 L61 A62 V77 V94 L95 F97 I113 F126L60-I79 HydrophobicContact CD2-CG2 4.21Å; L61-I79 CarbonylContact O-C 3.53Å; L61-I79 WeakPolarHBondContact O-CA 3.49Å; A62-I79 HydrophobicContact CB-CD1 3.78Å; V77-I79 HydrophobicContact CG1-CD1 4.32Å; I79-V94 HydrophobicContact CB-CG2 4.03Å; I79-V94 HydrophobicContact CG2-CG2 3.7Å; I79-V94 WeakPolarHBondContact O-CG2 3.33Å; I79-V94 PolarHBondContact O-N 3.06Å; I79-L95 HydrophobicContact CB-CB 3.85Å; I79-L95 HydrophobicContact CB-CD1 4.29Å; I79-L95 HydrophobicContact CB-CG 4.45Å; I79-L95 HydrophobicContact CG1-CB 3.77Å; I79-L95 HydrophobicContact CG1-CD1 4.12Å; I79-L95 HydrophobicContact CG2-CD1 4.4Å; I79-L95 PolarHBondContact N-O 3.09Å; I79-F97 HydrophobicContact CD1-CE2 4.2Å; I79-F97 HydrophobicContact CG1-CD2 4.41Å; I79-F97 HydrophobicContact CG1-CE2 3.85Å; I79-I113 HydrophobicContact CD1-CD1 3.69Å; I79-F126 HydrophobicContact CD1-CE2 3.95Å; I79-F126 HydrophobicContact CD1-CZ 4.13Å; I79-F126 HydrophobicContact CG1-CE2 3.93Å; I79-F126 HydrophobicContact CG1-CZ 4.31Å; I79-F126 HydrophobicContact CG2-CE2 4.19Å; I79-F126 HydrophobicContact CG2-CZ 3.83Å
80W95.4Very high88.7Confident5 Ų572.1 Ų72.12%0.01936%0.356CS..EExtended strand (participates in β ladder)trans-97131.8176.2-169.4-83.5000109.9L41 Q45 V46 L60 L61 L63 P89 K92L41-W80 HydrophobicContact CD1-CD2 3.98Å; L41-W80 HydrophobicContact CD1-CE3 4.48Å; L41-W80 HydrophobicContact CD1-CG 4.04Å; L41-W80 HydrophobicContact CD2-CD2 4.32Å; L41-W80 HydrophobicContact CD2-CH2 4.49Å; L41-W80 HydrophobicContact CD2-CZ2 3.64Å; Q45-W80 HydrophobicContact CB-CH2 4.44Å; V46-W80 HydrophobicContact CG1-CE3 4.48Å; V46-W80 HydrophobicContact CG1-CZ3 4.19Å; L60-W80 WeakPolarHBondContact CA-O 3.39Å; L61-W80 HydrophobicContact CB-CB 4.28Å; L61-W80 PolarHBondContact N-O 2.7Å; L61-W80 PolarHBondContact O-N 2.88Å; L63-W80 HydrophobicContact CD1-CB 4.17Å; W80-P89 HydrophobicContact CH2-CB 4.05Å; W80-P89 WeakPolarHBondContact CH2-O 3.17Å; W80-K92 CarbonylContact C-O 3.51Å; W80-K92 WeakPolarHBondContact CA-O 3.32Å; W80-K92 HydrophobicContact CD2-CB 3.93Å; W80-K92 VanDerWaalsContact CE2-CB 3.49Å; W80-K92 HydrophobicContact CE3-CB 4.38Å; W80-K92 HydrophobicContact CG-CB 4.49Å; W80-K92 HydrophobicContact CH2-CB 4.11Å; W80-K92 HydrophobicContact CZ2-CB 3.61Å; W80-K92 HydrophobicContact CZ2-CD 3.61Å; W80-K92 HydrophobicContact CZ2-CG 4.17Å; W80-K92 HydrophobicContact CZ3-CB 4.46Å
81D94.4Very high87.8Confident21 Ų2173.3 Ų73.311%0.11236%0.359CS..EExtended strand (participates in β ladder)trans-111102.7173.8-179-17.6000108.9N59 L60 A83 R84 K92 V94N59-D81 VanDerWaalsContact ND2-CG 3.27Å; N59-D81 PolarHBondContact ND2-OD1 3.16Å; L60-D81 HydrophobicContact CD2-CB 3.86Å; D81-A83 VanDerWaalsContact C-N 3.29Å; D81-A83 PolarHBondContact O-N 2.8Å; D81-A83 PolarHBondContact OD1-N 3.41Å; D81-R84 HydrophobicContact CB-CG 4.2Å; D81-R84 PolarHBondContact O-N 2.95Å; D81-R84 PolarHBondContact OD1-N 3.01Å; D81-R84 WeakPolarHBondContact OD2-CG 3.42Å; D81-R84 IonicContact OD2-NE 2.75Å; D81-R84 PolarHBondContact OD2-NE 3.36Å; D81-K92 PolarHBondContact N-O 3.07Å; D81-K92 WeakPolarHBondContact O-CB 3.46Å; D81-V94 HydrophobicContact CB-CB 4.46Å; D81-V94 HydrophobicContact CB-CG1 3.5Å; D81-V94 HydrophobicContact CB-CG2 4.06Å
82D88.3Confident87.5Confident78 Ų7870.5 Ų70.542%0.41735%0.347SS..THydrogen-bonded Turntrans-74.5-19.9-176.1-167.446.7000113.9N59 R84 K92N59-D82 PolarHBondContact O-N 3.47Å; D82-R84 VanDerWaalsContact C-N 3.28Å; D82-R84 PolarHBondContact O-N 3.1Å; D82-K92 PolarHBondContact O-NZ 2.8Å; D82-K92 VanDerWaalsContact O-NZ 3.14Å; D82-K92 IonicContact OD1-NZ 3.14Å; D82-K92 PolarHBondContact OD1-NZ 2.78Å
83A86.8Confident87.3Confident68 Ų6870.3 Ų70.356%0.56235%0.349SS*.THydrogen-bonded Turntrans-77.8-14.5179.500000112.7N59 D81 E85N59-A83 HydrophobicContact CB-CB 3.66Å; D81-A83 VanDerWaalsContact C-N 3.29Å; D81-A83 PolarHBondContact O-N 2.8Å; D81-A83 PolarHBondContact OD1-N 3.41Å; A83-E85 PolarHBondContact O-N 2.91Å
84R83.2Confident87.1Confident131 Ų13169.5 Ų69.549%0.49434%0.341SS..  trans-71.5111.5175.5-78.7-176.9-176.4-147.61.9110.8D81 D82 S86 K92 V94D81-R84 HydrophobicContact CB-CG 4.2Å; D81-R84 PolarHBondContact O-N 2.95Å; D81-R84 PolarHBondContact OD1-N 3.01Å; D81-R84 WeakPolarHBondContact OD2-CG 3.42Å; D81-R84 IonicContact OD2-NE 2.75Å; D81-R84 PolarHBondContact OD2-NE 3.36Å; D82-R84 VanDerWaalsContact C-N 3.28Å; D82-R84 PolarHBondContact O-N 3.1Å; R84-S86 PolarHBondContact O-N 3.14Å; R84-K92 HydrophobicContact CB-CG 4.35Å; R84-K92 WeakPolarHBondContact O-CE 3.19Å; R84-K92 WeakPolarHBondContact O-CG 3.4Å; R84-V94 VanDerWaalsContact NE-CG1 3.26Å
85E75.4Confident87.1Confident200 Ų20066.7 Ų66.794%0.93533%0.329SS*.  trans-73110167-64.8-176.2-174.800109.4A83A83-E85 PolarHBondContact O-N 2.91Å
86S74Confident87Confident53 Ų5369.7 Ų69.737%0.37134%0.342SS..  trans-140.3154.1167.7-172.60000111.6R84 D88 D91R84-S86 PolarHBondContact O-N 3.14Å; S86-D88 PolarHBondContact OG-N 2.78Å; S86-D91 WeakPolarHBondContact OG-CB 3.48Å; S86-D91 PolarHBondContact OG-OD2 2.92Å
87R71.6Confident87Confident259 Ų25970.2 Ų70.298%0.97734%0.344SS*.SBendtrans-74.5-25.4174.1-64.8-175.1-179.8-164.3-0.6112.7
88D76.6Confident87Confident69 Ų6974.5 Ų74.537%0.36937%0.37SS..SBendtrans-103.2119.4173-169.3-22.6000109.2S86 K90 D91S86-D88 PolarHBondContact OG-N 2.78Å; D88-K90 PolarHBondContact O-N 3.37Å; D88-K90 WeakPolarHBondContact OD1-CB 3.09Å; D88-K90 WeakPolarHBondContact OD1-CG 3.31Å; D88-K90 PolarHBondContact OD1-N 3.46Å; D88-D91 WeakPolarHBondContact O-CB 3.37Å; D88-D91 PolarHBondContact O-N 3.47Å
89P71.5Confident87Confident55 Ų5575.2 Ų75.236%0.35737%0.373SS..G310 helixtrans-53.3-26.4174.2-25.933.9000113.5Q45 W80 D91 K92Q45-P89 HydrophobicContact CG-CB 4.34Å; W80-P89 HydrophobicContact CH2-CB 4.05Å; W80-P89 WeakPolarHBondContact CH2-O 3.17Å; P89-D91 PolarHBondContact O-N 3.01Å; P89-K92 WeakPolarHBondContact O-CB 3.2Å; P89-K92 PolarHBondContact O-N 2.81Å
90K72.8Confident86.9Confident139 Ų13981.7 Ų81.760%0.60441%0.413SS*.G310 helixtrans-64.8-25.1175.8-67.1178.4-179.5175.30113.2D88 K92 L93D88-K90 PolarHBondContact O-N 3.37Å; D88-K90 WeakPolarHBondContact OD1-CB 3.09Å; D88-K90 WeakPolarHBondContact OD1-CG 3.31Å; D88-K90 PolarHBondContact OD1-N 3.46Å; K90-K92 PolarHBondContact O-N 2.94Å; K90-L93 VanDerWaalsContact O-CB 3.25Å; K90-L93 WeakPolarHBondContact O-CB 3.4Å; K90-L93 PolarHBondContact O-N 2.96Å
91D79.3Confident87Confident87 Ų8786.3 Ų86.347%0.46543%0.433SS..G310 helixtrans-74.8-14.5179.1-63.9-24.1000112.7S86 D88 P89 L93S86-D91 WeakPolarHBondContact OG-CB 3.48Å; S86-D91 PolarHBondContact OG-OD2 2.92Å; D88-D91 WeakPolarHBondContact O-CB 3.37Å; D88-D91 PolarHBondContact O-N 3.47Å; P89-D91 PolarHBondContact O-N 3.01Å; D91-L93 VanDerWaalsContact C-N 3.25Å
92K87.9Confident87.2Confident43 Ų4387.7 Ų87.719%0.18744%0.443CS..G310 helixtrans-75.2-14.6168.1-68.4-170.7163.6-167.70112.2W80 D81 D82 R84 P89 K90 V94W80-K92 CarbonylContact C-O 3.51Å; W80-K92 WeakPolarHBondContact CA-O 3.32Å; W80-K92 HydrophobicContact CD2-CB 3.93Å; W80-K92 VanDerWaalsContact CE2-CB 3.49Å; W80-K92 HydrophobicContact CE3-CB 4.38Å; W80-K92 HydrophobicContact CG-CB 4.49Å; W80-K92 HydrophobicContact CH2-CB 4.11Å; W80-K92 HydrophobicContact CZ2-CB 3.61Å; W80-K92 HydrophobicContact CZ2-CD 3.61Å; W80-K92 HydrophobicContact CZ2-CG 4.17Å; W80-K92 HydrophobicContact CZ3-CB 4.46Å; D81-K92 PolarHBondContact N-O 3.07Å; D81-K92 WeakPolarHBondContact O-CB 3.46Å; D82-K92 PolarHBondContact O-NZ 2.8Å; D82-K92 VanDerWaalsContact O-NZ 3.14Å; D82-K92 IonicContact OD1-NZ 3.14Å; D82-K92 PolarHBondContact OD1-NZ 2.78Å; R84-K92 HydrophobicContact CB-CG 4.35Å; R84-K92 WeakPolarHBondContact O-CE 3.19Å; R84-K92 WeakPolarHBondContact O-CG 3.4Å; P89-K92 WeakPolarHBondContact O-CB 3.2Å; P89-K92 PolarHBondContact O-N 2.81Å; K90-K92 PolarHBondContact O-N 2.94Å; K92-V94 PolarHBondContact O-N 3.14Å
93L91.6Very high87.7Confident51 Ų5184.4 Ų84.427%0.26743%0.426SS..EExtended strand (participates in β ladder)trans-79.7104.4171.2-179.368.9000109.6L78 K90 D91L78-L93 HydrophobicContact CB-CD1 3.5Å; L78-L93 VanDerWaalsContact CB-CD1 3.5Å; L78-L93 HydrophobicContact CD1-CD1 4.26Å; L78-L93 HydrophobicContact CD2-CD1 3.84Å; L78-L93 HydrophobicContact CD2-CD2 4.08Å; L78-L93 HydrophobicContact CG-CD1 4.05Å; K90-L93 VanDerWaalsContact O-CB 3.25Å; K90-L93 WeakPolarHBondContact O-CB 3.4Å; K90-L93 PolarHBondContact O-N 2.96Å; D91-L93 VanDerWaalsContact C-N 3.25Å
94V94.1Very high88.3Confident38 Ų3883.5 Ų83.523%0.2341%0.412CS..EExtended strand (participates in β ladder)trans-97.1-26.1-170.4-62.70000114.2I79 D81 R84 K92I79-V94 HydrophobicContact CB-CG2 4.03Å; I79-V94 HydrophobicContact CG2-CG2 3.7Å; I79-V94 WeakPolarHBondContact O-CG2 3.33Å; I79-V94 PolarHBondContact O-N 3.06Å; D81-V94 HydrophobicContact CB-CB 4.46Å; D81-V94 HydrophobicContact CB-CG1 3.5Å; D81-V94 HydrophobicContact CB-CG2 4.06Å; R84-V94 VanDerWaalsContact NE-CG1 3.26Å; K92-V94 PolarHBondContact O-N 3.14Å
95L95.6Very high89Confident48 Ų4877.6 Ų77.625%0.25139%0.39SS..EExtended strand (participates in β ladder)trans-147150.9-179.5-57.2161.7000110.6I79 F97 F126 P130I79-L95 HydrophobicContact CB-CB 3.85Å; I79-L95 HydrophobicContact CB-CD1 4.29Å; I79-L95 HydrophobicContact CB-CG 4.45Å; I79-L95 HydrophobicContact CG1-CB 3.77Å; I79-L95 HydrophobicContact CG1-CD1 4.12Å; I79-L95 HydrophobicContact CG2-CD1 4.4Å; I79-L95 PolarHBondContact N-O 3.09Å; L95-F97 HydrophobicContact CB-CE2 4.42Å; L95-F126 HydrophobicContact CD1-CE2 3.87Å; L95-P130 HydrophobicContact CD1-CG 3.75Å; L95-P130 HydrophobicContact CD2-CG 4.27Å
96E96.5Very high90.1Very high110 Ų11068.2 Ų68.251%0.51435%0.347SS..EExtended strand (participates in β ladder)trans-134132.9170.6176.7170.8-167.900110.2S76 V77 L78 T98S76-E96 VanDerWaalsContact CB-OE1 3.28Å; S76-E96 WeakPolarHBondContact CB-OE1 3.38Å; S76-E96 PolarHBondContact OG-OE1 3.29Å; V77-E96 CarbonylContact O-C 3.5Å; V77-E96 WeakPolarHBondContact O-CA 3.19Å; L78-E96 HydrophobicContact CD2-CB 3.88Å; L78-E96 HydrophobicContact CD2-CG 3.67Å; E96-T98 PolarHBondContact OE1-OG1 2.92Å
97F98.1Very high91.3Very high17 Ų1768.6 Ų68.68%0.07534%0.34CS..EExtended strand (participates in β ladder)trans-114.3115170-56.3-97.9000109.3S76 V77 I79 L95 F99 I113 I115 Y124 P130S76-F97 CarbonylContact C-O 3.57Å; S76-F97 VanDerWaalsContact CA-O 3.29Å; S76-F97 WeakPolarHBondContact CA-O 3.3Å; V77-F97 HydrophobicContact CB-CB 4.23Å; V77-F97 HydrophobicContact CB-CD2 4.3Å; V77-F97 PolarHBondContact N-O 3.38Å; V77-F97 PolarHBondContact O-N 3.05Å; I79-F97 HydrophobicContact CD1-CE2 4.2Å; I79-F97 HydrophobicContact CG1-CD2 4.41Å; I79-F97 HydrophobicContact CG1-CE2 3.85Å; L95-F97 HydrophobicContact CB-CE2 4.42Å; F97-F99 HydrophobicContact CB-CE2 3.58Å; F97-F99 HydrophobicContact CB-CZ 3.88Å; F97-F99 WeakPolarHBondContact O-CE2 3.37Å; F97-I113 HydrophobicContact CE1-CG2 4.37Å; F97-I113 HydrophobicContact CE2-CD1 4.21Å; F97-I113 HydrophobicContact CE2-CG2 4.39Å; F97-I113 HydrophobicContact CZ-CG2 3.88Å; F97-I115 HydrophobicContact CB-CD1 3.93Å; F97-I115 HydrophobicContact CD1-CD1 4.19Å; F97-I115 HydrophobicContact CD2-CD1 4.24Å; F97-I115 HydrophobicContact CG-CD1 3.88Å; F97-Y124 HydrophobicContact CD1-CD1 4.14Å; F97-Y124 HydrophobicContact CD1-CD2 4.24Å; F97-Y124 HydrophobicContact CD1-CE1 4.14Å; F97-Y124 HydrophobicContact CD1-CE2 4.24Å; F97-Y124 HydrophobicContact CD1-CG 4.21Å; F97-Y124 AromaticContact CE1-CD1 3.81Å; F97-Y124 HydrophobicContact CE1-CD1 3.81Å; F97-Y124 HydrophobicContact CE1-CD2 4.17Å; F97-Y124 HydrophobicContact CE1-CE1 4.27Å; F97-Y124 AromaticContact CE1-CG 3.78Å; F97-Y124 HydrophobicContact CE1-CG 3.78Å; F97-P130 HydrophobicContact CE1-CB 3.6Å; F97-P130 HydrophobicContact CE1-CG 4.21Å; F97-P130 HydrophobicContact CZ-CB 3.56Å; F97-P130 HydrophobicContact CZ-CG 3.68Å
98T97.9Very high92.5Very high90 Ų9056.5 Ų56.555%0.55230%0.295SS*.EExtended strand (participates in β ladder)trans-104.6135.8-179.4-46.10000111.6I75 E96I75-T98 HydrophobicContact CD1-CG2 4.47Å; I75-T98 HydrophobicContact CG1-CG2 4.2Å; E96-T98 PolarHBondContact OE1-OG1 2.92Å
99F98Very high93.3Very high17 Ų1753.4 Ų53.48%0.07528%0.278CS..  trans-122.3172.5-179.4-59.7-84.9000112I75 V77 F97 V103 I115 L117 F122 Y124I75-F99 WeakPolarHBondContact CB-O 3.04Å; I75-F99 WeakPolarHBondContact CD1-O 3.42Å; I75-F99 WeakPolarHBondContact CG1-O 3.47Å; I75-F99 WeakPolarHBondContact O-CD2 3.42Å; I75-F99 PolarHBondContact O-N 2.88Å; V77-F99 HydrophobicContact CG2-CE2 4.13Å; F97-F99 HydrophobicContact CB-CE2 3.58Å; F97-F99 HydrophobicContact CB-CZ 3.88Å; F97-F99 WeakPolarHBondContact O-CE2 3.37Å; F99-V103 HydrophobicContact CD2-CG2 3.77Å; F99-V103 HydrophobicContact CE2-CG2 4.35Å; F99-I115 HydrophobicContact CD2-CG2 4.13Å; F99-I115 HydrophobicContact CE1-CG2 4.25Å; F99-I115 HydrophobicContact CE2-CB 4.32Å; F99-I115 HydrophobicContact CE2-CD1 3.71Å; F99-I115 HydrophobicContact CE2-CG2 3.55Å; F99-I115 HydrophobicContact CZ-CB 3.98Å; F99-I115 HydrophobicContact CZ-CD1 3.47Å; F99-I115 VanDerWaalsContact CZ-CD1 3.47Å; F99-I115 HydrophobicContact CZ-CG1 4.29Å; F99-I115 HydrophobicContact CZ-CG2 3.62Å; F99-L117 HydrophobicContact CB-CD2 4.02Å; F99-L117 HydrophobicContact CD1-CD1 4.11Å; F99-L117 HydrophobicContact CD1-CD2 4.27Å; F99-L117 HydrophobicContact CG-CD1 4.2Å; F99-L117 HydrophobicContact CG-CD2 4.35Å; F99-F122 AromaticContact CD1-CD2 3.89Å; F99-F122 HydrophobicContact CD1-CD2 3.89Å; F99-F122 AromaticContact CD1-CE2 3.85Å; F99-F122 HydrophobicContact CD1-CE2 3.85Å; F99-F122 HydrophobicContact CD1-CZ 4.42Å; F99-F122 HydrophobicContact CE1-CB 4.28Å; F99-F122 HydrophobicContact CE1-CD1 4.48Å; F99-F122 AromaticContact CE1-CD2 3.59Å; F99-F122 HydrophobicContact CE1-CD2 3.59Å; F99-F122 HydrophobicContact CE1-CE2 4.01Å; F99-F122 AromaticContact CE1-CG 3.87Å; F99-F122 HydrophobicContact CE1-CG 3.87Å; F99-Y124 HydrophobicContact CE1-CE2 4.22Å; F99-Y124 HydrophobicContact CZ-CE2 4.01Å
100T96.4Very high94.4Very high136 Ų13655.2 Ų55.283%0.83428%0.282SS*.SBendtrans-93.2-7.6179560000113.8
101K98Very high95.4Very high102 Ų10250.9 Ų50.944%0.44327%0.265SS..SBendtrans-138.7159.7178.2-60.5-177.5176.4-179.90109.6L117K101-L117 HydrophobicContact CB-CD2 4.11Å
102P98.4Very high96.2Very high50 Ų5047.2 Ų47.233%0.32525%0.245SC..  trans-56.2139.3178.7-26.936.3000112.7E74E74-P102 HydrophobicContact CG-CB 4.14Å; E74-P102 HydrophobicContact CG-CG 4.16Å; E74-P102 WeakPolarHBondContact O-CA 3.11Å; E74-P102 WeakPolarHBondContact OE1-CG 3.4Å
103V98.8Very high96.7Very high9 Ų945.1 Ų45.16%0.05524%0.236CC..EExtended strand (participates in β ladder)trans-81125.2174177.40000108.5L51 V64 E74 V77 F99 V106 I115L51-V103 HydrophobicContact CD1-CG1 4.45Å; V64-V103 HydrophobicContact CG1-CB 4.11Å; V64-V103 HydrophobicContact CG2-CB 4.24Å; V64-V103 HydrophobicContact CG2-CG1 3.97Å; E74-V103 PolarHBondContact O-N 3.16Å; V77-V103 HydrophobicContact CG2-CB 4.36Å; V77-V103 HydrophobicContact CG2-CG1 3.93Å; V77-V103 HydrophobicContact CG2-CG2 3.83Å; F99-V103 HydrophobicContact CD2-CG2 3.77Å; F99-V103 HydrophobicContact CE2-CG2 4.35Å; V103-V106 HydrophobicContact CG1-CG2 3.87Å; V103-I115 HydrophobicContact CG1-CG2 3.85Å; V103-I115 HydrophobicContact CG2-CG2 3.98Å
104L98.6Very high97Very high50 Ų5042.7 Ų42.726%0.26222%0.223SC..EExtended strand (participates in β ladder)trans-102.5-24.2-175.6-59.1179.9000113.1V116 K118 N141L104-V116 PolarHBondContact N-O 3.48Å; L104-K118 HydrophobicContact CD1-CB 3.96Å; L104-N141 WeakPolarHBondContact CD1-O 3.38Å
105A98.4Very high97.2Very high6 Ų640.9 Ų40.95%0.0521%0.212CC..EExtended strand (participates in β ladder)trans-157.4150.2172.800000111.3V116 G144A105-V116 HydrophobicContact CB-CB 4.04Å; A105-V116 HydrophobicContact CB-CG2 4.11Å; A105-V116 PolarHBondContact N-O 2.88Å; A105-V116 PolarHBondContact O-N 3.02Å; A105-G144 WeakPolarHBondContact CB-O 3.04Å
106V98.6Very high97.4Very high4 Ų438.6 Ų38.62%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-123.5134.2168.4-175.40000108.4A62 V64 V77 V103 M108 I113 I114A62-V106 HydrophobicContact CB-CG1 3.82Å; V64-V106 HydrophobicContact CG2-CG2 3.95Å; V77-V106 HydrophobicContact CG1-CG1 4.4Å; V77-V106 HydrophobicContact CG1-CG2 3.98Å; V77-V106 HydrophobicContact CG2-CG2 3.92Å; V103-V106 HydrophobicContact CG1-CG2 3.87Å; V106-M108 HydrophobicContact CG1-CG 4.31Å; V106-I113 HydrophobicContact CG1-CD1 3.92Å; V106-I113 HydrophobicContact CG1-CG1 3.94Å; V106-I114 WeakPolarHBondContact CA-O 3.38Å
107R98.2Very high97.5Very high61 Ų6133.6 Ų33.623%0.2318%0.177CC..EExtended strand (participates in β ladder)trans-128.2143.5169.6-64-68.1179.8-95.22.7108.9I114 C146 L148R107-I114 HydrophobicContact CB-CB 4.18Å; R107-I114 PolarHBondContact N-O 3.18Å; R107-I114 PolarHBondContact O-N 3.14Å; R107-C146 VanDerWaalsContact CG-SG 3.58Å; R107-L148 HydrophobicContact CB-CB 4.14Å; R107-L148 HydrophobicContact CB-CD2 4.34Å
108M96.8Very high97.4Very high5 Ų537.5 Ų37.53%0.02519%0.194CC..EExtended strand (participates in β ladder)trans-132148.3-178.4-65.8-171.7-67.700111Q14 S53 M54 L55 A62 V106 I113 F126Q14-M108 PolarHBondContact NE2-O 3.45Å; S53-M108 WeakPolarHBondContact O-CE 3.09Å; M54-M108 WeakPolarHBondContact O-CE 3.5Å; L55-M108 HydrophobicContact CB-CE 3.96Å; L55-M108 HydrophobicContact CB-SD 4.45Å; L55-M108 HydrophobicContact CD1-CB 4Å; A62-M108 HydrophobicContact CB-CE 3.74Å; A62-M108 HydrophobicContact CB-SD 3.77Å; V106-M108 HydrophobicContact CG1-CG 4.31Å; M108-I113 HydrophobicContact CG-CB 4.28Å; M108-I113 HydrophobicContact CG-CD1 4.08Å; M108-I113 HydrophobicContact CG-CG1 3.85Å; M108-I113 HydrophobicContact SD-CD1 4.06Å; M108-I113 HydrophobicContact SD-CG1 4.47Å; M108-F126 HydrophobicContact SD-CE1 4.2Å; M108-F126 HydrophobicContact SD-CZ 4.33Å
109R94.8Very high97.4Very high3 Ų335.8 Ų35.81%0.01118%0.181CC..EExtended strand (participates in β ladder)trans-134.5172.4162.860-177.2-75.5131.43.8107.9L55 D111 K112 L148 C149 S151 K154L55-R109 WeakPolarHBondContact CD1-O 3.39Å; R109-D111 WeakPolarHBondContact CD-OD1 3.22Å; R109-D111 WeakPolarHBondContact CG-OD1 3.45Å; R109-D111 IonicContact CZ-OD1 3.09Å; R109-D111 IonicContact NE-OD1 3.73Å; R109-D111 PolarHBondContact NE-OD1 2.95Å; R109-D111 IonicContact NH2-OD1 3.06Å; R109-D111 PolarHBondContact O-N 3.45Å; R109-K112 HydrophobicContact CG-CB 3.78Å; R109-K112 PolarHBondContact N-O 3.3Å; R109-K112 PolarHBondContact O-N 2.8Å; R109-K112 VanDerWaalsContact O-O 3.09Å; R109-L148 HydrophobicContact CB-CD2 3.84Å; R109-L148 HydrophobicContact CG-CD2 3.73Å; R109-C149 PolarHBondContact NH1-O 3.12Å; R109-S151 VanDerWaalsContact CZ-O 3.32Å; R109-S151 PolarHBondContact NH1-O 2.92Å; R109-S151 PolarHBondContact NH2-O 2.82Å; R109-K154 PolarHBondContact NH1-O 3.43Å; R109-K154 VanDerWaalsContact NH1-O 3.17Å
110H92.6Very high97.3Very high94 Ų9438.4 Ų38.444%0.43519%0.193SC..THydrogen-bonded Turntrans-53.1-32.7-174.4-69.4-71.8000114.8H56H56-H110 AromaticContact CD2-CD2 3.83Å; H56-H110 AromaticContact CD2-CE1 3.46Å; H56-H110 PolarHBondContact CD2-CE1 3.47Å; H56-H110 VanDerWaalsContact CD2-CE1 3.46Å; H56-H110 AromaticContact CD2-NE2 3.32Å; H56-H110 PolarHBondContact CD2-NE2 3.26Å; H56-H110 VanDerWaalsContact CD2-NE2 3.32Å; H56-H110 AromaticContact CE1-NE2 3.74Å; H56-H110 AromaticContact CG-CE1 3.93Å; H56-H110 AromaticContact CG-NE2 3.82Å; H56-H110 AromaticContact NE2-CD2 3.53Å; H56-H110 AromaticContact NE2-CE1 3.93Å; H56-H110 AromaticContact NE2-NE2 3.31Å; H56-H110 PolarHBondContact NE2-NE2 3.2Å
111D94.6Very high97.4Very high48 Ų4831.9 Ų31.926%0.25715%0.153SC..THydrogen-bonded Turntrans-114.3-2-174.366.4-39.1000114.7R109 F126 Q155R109-D111 WeakPolarHBondContact CD-OD1 3.22Å; R109-D111 WeakPolarHBondContact CG-OD1 3.45Å; R109-D111 IonicContact CZ-OD1 3.09Å; R109-D111 IonicContact NE-OD1 3.73Å; R109-D111 PolarHBondContact NE-OD1 2.95Å; R109-D111 IonicContact NH2-OD1 3.06Å; R109-D111 PolarHBondContact O-N 3.45Å; D111-F126 CarbonylContact C-O 3.53Å; D111-F126 WeakPolarHBondContact CA-O 3.12Å; D111-F126 PolarHBondContact O-N 3.17Å; D111-Q155 PolarHBondContact OD2-NE2 3.36Å; D111-Q155 PolarHBondContact OD2-OE1 2.77Å
112K96.4Very high97.4Very high9 Ų928 Ų284%0.03914%0.136CC..EExtended strand (participates in β ladder)trans-149.6145.5-174.4-62.3178.1173.449.50113.5R109 I114 V123 Y124 L133 L172R109-K112 HydrophobicContact CG-CB 3.78Å; R109-K112 PolarHBondContact N-O 3.3Å; R109-K112 PolarHBondContact O-N 2.8Å; R109-K112 VanDerWaalsContact O-O 3.09Å; K112-I114 HydrophobicContact CB-CD1 4.01Å; K112-V123 HydrophobicContact CB-CG1 4.36Å; K112-V123 HydrophobicContact CD-CG1 4.03Å; K112-V123 HydrophobicContact CG-CG1 4.44Å; K112-Y124 VanDerWaalsContact CA-O 3.24Å; K112-Y124 WeakPolarHBondContact CA-O 2.96Å; K112-L133 HydrophobicContact CD-CD1 4.28Å; K112-L133 HydrophobicContact CG-CD1 4.19Å; K112-L172 HydrophobicContact CD-CB 4.02Å; K112-L172 HydrophobicContact CD-CD1 4.18Å; K112-L172 VanDerWaalsContact CE-O 3.28Å; K112-L172 WeakPolarHBondContact CE-O 3.34Å
113I98.3Very high97.4Very high0 Ų025.6 Ų25.60%012%0.12CC..EExtended strand (participates in β ladder)trans-118.2133.3167.7-175.2167.2000109.9A62 V77 I79 F97 V106 M108 I115 V123 Y124 F126A62-I113 HydrophobicContact CB-CD1 4.48Å; V77-I113 HydrophobicContact CG1-CD1 4.36Å; I79-I113 HydrophobicContact CD1-CD1 3.69Å; F97-I113 HydrophobicContact CE1-CG2 4.37Å; F97-I113 HydrophobicContact CE2-CD1 4.21Å; F97-I113 HydrophobicContact CE2-CG2 4.39Å; F97-I113 HydrophobicContact CZ-CG2 3.88Å; V106-I113 HydrophobicContact CG1-CD1 3.92Å; V106-I113 HydrophobicContact CG1-CG1 3.94Å; M108-I113 HydrophobicContact CG-CB 4.28Å; M108-I113 HydrophobicContact CG-CD1 4.08Å; M108-I113 HydrophobicContact CG-CG1 3.85Å; M108-I113 HydrophobicContact SD-CD1 4.06Å; M108-I113 HydrophobicContact SD-CG1 4.47Å; I113-I115 HydrophobicContact CD1-CD1 4.47Å; I113-I115 HydrophobicContact CG1-CD1 4.42Å; I113-I115 HydrophobicContact CG1-CG1 4.18Å; I113-V123 WeakPolarHBondContact O-CA 3.36Å; I113-Y124 PolarHBondContact N-O 2.93Å; I113-Y124 PolarHBondContact O-N 3.13Å; I113-F126 HydrophobicContact CB-CB 4.16Å; I113-F126 HydrophobicContact CB-CD2 3.99Å; I113-F126 HydrophobicContact CB-CG 4.06Å; I113-F126 HydrophobicContact CD1-CE2 4.43Å; I113-F126 HydrophobicContact CG2-CB 4.07Å; I113-F126 HydrophobicContact CG2-CD2 3.77Å; I113-F126 HydrophobicContact CG2-CG 4.15Å
114I98.5Very high97.3Very high0 Ų027 Ų270%013%0.125CC..EExtended strand (participates in β ladder)trans-115125.2-176.1-63.358.6000106.8V106 R107 K112 V116 I121 F122 V123 L148 L157V106-I114 WeakPolarHBondContact CA-O 3.38Å; R107-I114 HydrophobicContact CB-CB 4.18Å; R107-I114 PolarHBondContact N-O 3.18Å; R107-I114 PolarHBondContact O-N 3.14Å; K112-I114 HydrophobicContact CB-CD1 4.01Å; I114-V116 HydrophobicContact CG2-CG2 4.3Å; I114-I121 HydrophobicContact CG2-CG2 3.62Å; I114-F122 WeakPolarHBondContact CA-O 3.1Å; I114-V123 HydrophobicContact CD1-CG1 4.43Å; I114-V123 HydrophobicContact CG1-CG1 4.47Å; I114-V123 HydrophobicContact CG1-CG2 4.31Å; I114-L148 HydrophobicContact CD1-CD1 4Å; I114-L148 HydrophobicContact CD1-CD2 3.38Å; I114-L148 HydrophobicContact CD1-CG 4.27Å; I114-L148 HydrophobicContact CG1-CD1 4.27Å; I114-L148 HydrophobicContact CG1-CD2 4.17Å; I114-L157 HydrophobicContact CG1-CD1 4.32Å; I114-L157 HydrophobicContact CG2-CD1 4.15Å
115I98.7Very high97.2Very high0 Ų025.8 Ų25.80%012%0.121CC..EExtended strand (participates in β ladder)trans-123120.4-176.1-60.9167.2000108.4V77 F97 F99 V103 I113 L117 I121 F122 Y124V77-I115 HydrophobicContact CB-CD1 4.28Å; V77-I115 HydrophobicContact CG2-CD1 3.94Å; V77-I115 HydrophobicContact CG2-CG1 4.11Å; V77-I115 HydrophobicContact CG2-CG2 3.97Å; F97-I115 HydrophobicContact CB-CD1 3.93Å; F97-I115 HydrophobicContact CD1-CD1 4.19Å; F97-I115 HydrophobicContact CD2-CD1 4.24Å; F97-I115 HydrophobicContact CG-CD1 3.88Å; F99-I115 HydrophobicContact CD2-CG2 4.13Å; F99-I115 HydrophobicContact CE1-CG2 4.25Å; F99-I115 HydrophobicContact CE2-CB 4.32Å; F99-I115 HydrophobicContact CE2-CD1 3.71Å; F99-I115 HydrophobicContact CE2-CG2 3.55Å; F99-I115 HydrophobicContact CZ-CB 3.98Å; F99-I115 HydrophobicContact CZ-CD1 3.47Å; F99-I115 VanDerWaalsContact CZ-CD1 3.47Å; F99-I115 HydrophobicContact CZ-CG1 4.29Å; F99-I115 HydrophobicContact CZ-CG2 3.62Å; V103-I115 HydrophobicContact CG1-CG2 3.85Å; V103-I115 HydrophobicContact CG2-CG2 3.98Å; I113-I115 HydrophobicContact CD1-CD1 4.47Å; I113-I115 HydrophobicContact CG1-CD1 4.42Å; I113-I115 HydrophobicContact CG1-CG1 4.18Å; I115-L117 HydrophobicContact CG2-CD1 3.88Å; I115-I121 WeakPolarHBondContact O-CA 3.3Å; I115-F122 PolarHBondContact N-O 2.78Å; I115-F122 PolarHBondContact O-N 3.32Å; I115-Y124 HydrophobicContact CD1-CD2 4.23Å; I115-Y124 HydrophobicContact CD1-CE2 4.2Å
116V98.7Very high97.1Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-107.7124-173.4-173.70000110.2L104 A105 I114 I121 C146L104-V116 PolarHBondContact N-O 3.48Å; A105-V116 HydrophobicContact CB-CB 4.04Å; A105-V116 HydrophobicContact CB-CG2 4.11Å; A105-V116 PolarHBondContact N-O 2.88Å; A105-V116 PolarHBondContact O-N 3.02Å; I114-V116 HydrophobicContact CG2-CG2 4.3Å; V116-I121 HydrophobicContact CB-CG1 4.46Å; V116-I121 HydrophobicContact CG1-CG1 4.03Å; V116-I121 HydrophobicContact CG2-CG1 4.15Å; V116-I121 HydrophobicContact CG2-CG2 4.46Å; V116-C146 HydrophobicContact CG2-CB 4.08Å; V116-C146 WeakPolarHBondContact CG2-SG 3.36Å
117L98.4Very high96.8Very high5 Ų527.7 Ų27.73%0.02613%0.132CC..EExtended strand (participates in β ladder)trans-107173.6169.3-7159.7000107.9F99 K101 I115 N119 K120 F122F99-L117 HydrophobicContact CB-CD2 4.02Å; F99-L117 HydrophobicContact CD1-CD1 4.11Å; F99-L117 HydrophobicContact CD1-CD2 4.27Å; F99-L117 HydrophobicContact CG-CD1 4.2Å; F99-L117 HydrophobicContact CG-CD2 4.35Å; K101-L117 HydrophobicContact CB-CD2 4.11Å; I115-L117 HydrophobicContact CG2-CD1 3.88Å; L117-N119 PolarHBondContact O-N 2.88Å; L117-N119 VanDerWaalsContact O-N 3.09Å; L117-K120 PolarHBondContact N-O 2.82Å; L117-F122 HydrophobicContact CD1-CD2 3.8Å; L117-F122 HydrophobicContact CD1-CE2 3.82Å; L117-F122 HydrophobicContact CD2-CE2 3.7Å; L117-F122 HydrophobicContact CG-CE2 4.33Å
118K97.2Very high96.4Very high98 Ų9831.4 Ų31.443%0.42616%0.156SC..SBendtrans-53.2-34.7-178.2-172.6171.1178173.70114.8L104 D140 N141L104-K118 HydrophobicContact CD1-CB 3.96Å; K118-D140 WeakPolarHBondContact CE-OD1 3.33Å; K118-D140 WeakPolarHBondContact CG-OD1 3.43Å; K118-D140 IonicContact NZ-OD1 3.89Å; K118-N141 WeakPolarHBondContact O-CB 3.48Å; K118-N141 PolarHBondContact O-N 2.85Å
119N96.4Very high96.2Very high54 Ų5438.1 Ų38.129%0.28919%0.192SC..SBendtrans-133.89.1-175.6-52.9108.5000113.7L117 T138 D140L117-N119 PolarHBondContact O-N 2.88Å; L117-N119 VanDerWaalsContact O-N 3.09Å; N119-T138 VanDerWaalsContact CA-OG1 3.28Å; N119-T138 WeakPolarHBondContact CA-OG1 3.47Å; N119-T138 PolarHBondContact O-N 3.06Å; N119-T138 PolarHBondContact O-OG1 3.3Å; N119-D140 WeakPolarHBondContact ND2-CA 3.48Å
120K97.3Very high96.2Very high72 Ų7239.6 Ų39.631%0.31320%0.202SC..EExtended strand (participates in β ladder)trans-145.7145.9-177-69.8-164.2172-138.90110.8L117 F122 E135 F136 D137L117-K120 PolarHBondContact N-O 2.82Å; K120-F122 HydrophobicContact CB-CE2 3.89Å; K120-F122 HydrophobicContact CB-CZ 4.2Å; K120-F122 HydrophobicContact CD-CE2 4.47Å; K120-F122 HydrophobicContact CD-CZ 3.96Å; K120-E135 IonicContact NZ-OE1 2.8Å; K120-E135 PolarHBondContact NZ-OE1 3.36Å; K120-F136 CarbonylContact C-O 3.52Å; K120-F136 VanDerWaalsContact CA-O 3.29Å; K120-F136 WeakPolarHBondContact CA-O 3.48Å; K120-D137 WeakPolarHBondContact CE-OD1 3.22Å; K120-D137 IonicContact NZ-OD1 3.63Å; K120-D137 PolarHBondContact NZ-OD1 2.92Å
121I98.1Very high96.4Very high0 Ų039.2 Ų39.20%021%0.206CC..EExtended strand (participates in β ladder)trans-121.4127.7169.3-61.9174.4000108.1I114 I115 V116 E135 F136 T138 L157 F159I114-I121 HydrophobicContact CG2-CG2 3.62Å; I115-I121 WeakPolarHBondContact O-CA 3.3Å; V116-I121 HydrophobicContact CB-CG1 4.46Å; V116-I121 HydrophobicContact CG1-CG1 4.03Å; V116-I121 HydrophobicContact CG2-CG1 4.15Å; V116-I121 HydrophobicContact CG2-CG2 4.46Å; I121-E135 WeakPolarHBondContact O-CA 3.29Å; I121-F136 HydrophobicContact CB-CB 4.4Å; I121-F136 HydrophobicContact CB-CD2 4.41Å; I121-F136 HydrophobicContact CG2-CD2 4.42Å; I121-F136 PolarHBondContact N-O 2.92Å; I121-F136 PolarHBondContact O-N 2.89Å; I121-T138 HydrophobicContact CD1-CG2 3.69Å; I121-T138 HydrophobicContact CG1-CG2 3.74Å; I121-L157 HydrophobicContact CG2-CD2 4.26Å; I121-F159 HydrophobicContact CD1-CB 3.61Å; I121-F159 HydrophobicContact CD1-CD1 3.8Å; I121-F159 HydrophobicContact CD1-CD2 3.74Å; I121-F159 HydrophobicContact CD1-CE1 4.37Å; I121-F159 HydrophobicContact CD1-CE2 4.31Å; I121-F159 HydrophobicContact CD1-CG 3.45Å; I121-F159 VanDerWaalsContact CD1-CG 3.45Å
122F98.2Very high96.4Very high20 Ų2042.2 Ų42.29%0.08822%0.217CC..EExtended strand (participates in β ladder)trans-106.6140173.9-59.8-88.5000109.8F99 I114 I115 L117 K120 Y124 K132 E135F99-F122 AromaticContact CD1-CD2 3.89Å; F99-F122 HydrophobicContact CD1-CD2 3.89Å; F99-F122 AromaticContact CD1-CE2 3.85Å; F99-F122 HydrophobicContact CD1-CE2 3.85Å; F99-F122 HydrophobicContact CD1-CZ 4.42Å; F99-F122 HydrophobicContact CE1-CB 4.28Å; F99-F122 HydrophobicContact CE1-CD1 4.48Å; F99-F122 AromaticContact CE1-CD2 3.59Å; F99-F122 HydrophobicContact CE1-CD2 3.59Å; F99-F122 HydrophobicContact CE1-CE2 4.01Å; F99-F122 AromaticContact CE1-CG 3.87Å; F99-F122 HydrophobicContact CE1-CG 3.87Å; I114-F122 WeakPolarHBondContact CA-O 3.1Å; I115-F122 PolarHBondContact N-O 2.78Å; I115-F122 PolarHBondContact O-N 3.32Å; L117-F122 HydrophobicContact CD1-CD2 3.8Å; L117-F122 HydrophobicContact CD1-CE2 3.82Å; L117-F122 HydrophobicContact CD2-CE2 3.7Å; L117-F122 HydrophobicContact CG-CE2 4.33Å; K120-F122 HydrophobicContact CB-CE2 3.89Å; K120-F122 HydrophobicContact CB-CZ 4.2Å; K120-F122 HydrophobicContact CD-CE2 4.47Å; K120-F122 HydrophobicContact CD-CZ 3.96Å; F122-Y124 HydrophobicContact CB-CD2 4.22Å; F122-Y124 HydrophobicContact CB-CE2 3.53Å; F122-Y124 HydrophobicContact CG-CE2 4.36Å; F122-K132 HydrophobicContact CD1-CD 3.92Å; F122-K132 HydrophobicContact CE1-CD 4.5Å; F122-E135 HydrophobicContact CD1-CB 4.39Å; F122-E135 HydrophobicContact CD1-CG 3.95Å; F122-E135 VanDerWaalsContact CE1-CD 3.41Å; F122-E135 HydrophobicContact CE1-CG 3.74Å; F122-E135 HydrophobicContact CZ-CG 4.48Å
123V97.6Very high96.4Very high0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-123123.4174.5-1740000108.2K112 I113 I114 L133 F134 F136 L157 L172K112-V123 HydrophobicContact CB-CG1 4.36Å; K112-V123 HydrophobicContact CD-CG1 4.03Å; K112-V123 HydrophobicContact CG-CG1 4.44Å; I113-V123 WeakPolarHBondContact O-CA 3.36Å; I114-V123 HydrophobicContact CD1-CG1 4.43Å; I114-V123 HydrophobicContact CG1-CG1 4.47Å; I114-V123 HydrophobicContact CG1-CG2 4.31Å; V123-L133 PolarHBondContact O-N 2.95Å; V123-F134 HydrophobicContact CB-CB 4Å; V123-F134 HydrophobicContact CB-CD2 3.98Å; V123-F134 HydrophobicContact CG1-CD2 4.01Å; V123-F134 HydrophobicContact CG2-CB 4.13Å; V123-F134 HydrophobicContact CG2-CD2 4.47Å; V123-F134 PolarHBondContact N-O 2.81Å; V123-F134 PolarHBondContact O-N 2.84Å; V123-F134 VanDerWaalsContact O-N 3.16Å; V123-F136 HydrophobicContact CG2-CD2 4.38Å; V123-F136 HydrophobicContact CG2-CE2 3.85Å; V123-L157 HydrophobicContact CG2-CD2 4.32Å; V123-L172 HydrophobicContact CG1-CD1 4.11Å; V123-L172 HydrophobicContact CG2-CD1 4.45Å; V123-L172 HydrophobicContact CG2-CD2 4.32Å
124Y97.9Very high96.2Very high37 Ų3745.5 Ų45.515%0.14523%0.233CC..EExtended strand (participates in β ladder)trans-114.3152.9176-63.3-103000110.5F97 F99 K112 I113 I115 F122 V131 K132F97-Y124 HydrophobicContact CD1-CD1 4.14Å; F97-Y124 HydrophobicContact CD1-CD2 4.24Å; F97-Y124 HydrophobicContact CD1-CE1 4.14Å; F97-Y124 HydrophobicContact CD1-CE2 4.24Å; F97-Y124 HydrophobicContact CD1-CG 4.21Å; F97-Y124 AromaticContact CE1-CD1 3.81Å; F97-Y124 HydrophobicContact CE1-CD1 3.81Å; F97-Y124 HydrophobicContact CE1-CD2 4.17Å; F97-Y124 HydrophobicContact CE1-CE1 4.27Å; F97-Y124 AromaticContact CE1-CG 3.78Å; F97-Y124 HydrophobicContact CE1-CG 3.78Å; F99-Y124 HydrophobicContact CE1-CE2 4.22Å; F99-Y124 HydrophobicContact CZ-CE2 4.01Å; K112-Y124 VanDerWaalsContact CA-O 3.24Å; K112-Y124 WeakPolarHBondContact CA-O 2.96Å; I113-Y124 PolarHBondContact N-O 2.93Å; I113-Y124 PolarHBondContact O-N 3.13Å; I115-Y124 HydrophobicContact CD1-CD2 4.23Å; I115-Y124 HydrophobicContact CD1-CE2 4.2Å; F122-Y124 HydrophobicContact CB-CD2 4.22Å; F122-Y124 HydrophobicContact CB-CE2 3.53Å; F122-Y124 HydrophobicContact CG-CE2 4.36Å; Y124-V131 CarbonylContact C-O 3.55Å; Y124-V131 WeakPolarHBondContact CA-O 3.34Å; Y124-K132 HydrophobicContact CD1-CB 3.93Å; Y124-K132 HydrophobicContact CE1-CB 3.67Å; Y124-K132 HydrophobicContact CE1-CG 4.25Å
125S96.5Very high96Very high26 Ų2649 Ų4918%0.18225%0.25CC..EExtended strand (participates in β ladder)trans-62.8151.9160.563.80000109.5P130 V131S125-P130 VanDerWaalsContact O-CA 3.27Å; S125-P130 WeakPolarHBondContact O-CA 3.32Å; S125-P130 WeakPolarHBondContact O-CB 3.18Å; S125-V131 PolarHBondContact N-O 2.84Å; S125-V131 WeakPolarHBondContact OG-CG2 3.34Å; S125-V131 PolarHBondContact OG-N 2.79Å
126F95.6Very high95.9Very high9 Ų950.2 Ų50.24%0.03926%0.255CS..  trans-156.6152.2-177.2-165.7-100.9000109.1L55 L60 I79 L95 M108 D111 I113 P130L55-F126 HydrophobicContact CD2-CD1 4.36Å; L55-F126 HydrophobicContact CD2-CE1 3.99Å; L60-F126 HydrophobicContact CD1-CE1 3.74Å; L60-F126 HydrophobicContact CD1-CZ 3.95Å; I79-F126 HydrophobicContact CD1-CE2 3.95Å; I79-F126 HydrophobicContact CD1-CZ 4.13Å; I79-F126 HydrophobicContact CG1-CE2 3.93Å; I79-F126 HydrophobicContact CG1-CZ 4.31Å; I79-F126 HydrophobicContact CG2-CE2 4.19Å; I79-F126 HydrophobicContact CG2-CZ 3.83Å; L95-F126 HydrophobicContact CD1-CE2 3.87Å; M108-F126 HydrophobicContact SD-CE1 4.2Å; M108-F126 HydrophobicContact SD-CZ 4.33Å; D111-F126 CarbonylContact C-O 3.53Å; D111-F126 WeakPolarHBondContact CA-O 3.12Å; D111-F126 PolarHBondContact O-N 3.17Å; I113-F126 HydrophobicContact CB-CB 4.16Å; I113-F126 HydrophobicContact CB-CD2 3.99Å; I113-F126 HydrophobicContact CB-CG 4.06Å; I113-F126 HydrophobicContact CD1-CE2 4.43Å; I113-F126 HydrophobicContact CG2-CB 4.07Å; I113-F126 HydrophobicContact CG2-CD2 3.77Å; I113-F126 HydrophobicContact CG2-CG 4.15Å; F126-P130 HydrophobicContact CD2-CG 4.32Å
127P92.7Very high95.7Very high41 Ų4154.7 Ų54.727%0.26628%0.279SS..SBendcis-87.3-26.8-533.5-33.4000114.4L60 N129 P130L60-P127 HydrophobicContact CD1-CB 3.81Å; L60-P127 HydrophobicContact CD1-CG 4.46Å; P127-N129 PolarHBondContact O-N 2.94Å; P127-P130 WeakPolarHBondContact O-CD 3.32Å
128D89.8Confident95.4Very high138 Ų13855 Ų5574%0.73828%0.281SS*.SBendtrans-81.7122.9-169.4-57.9-50.9000112
129N91.2Very high95.2Very high147 Ų14754.8 Ų54.879%0.78628%0.278SS*.SBendtrans43.368-178.6-64.6-42.9000113.6P127 V131P127-N129 PolarHBondContact O-N 2.94Å; N129-V131 PolarHBondContact O-N 3.13Å
130P96Very high95.1Very high33 Ų3355.8 Ų55.821%0.21428%0.283CS..  trans-54.3126.6-176.9-28.237000113.7L95 F97 S125 F126 P127L95-P130 HydrophobicContact CD1-CG 3.75Å; L95-P130 HydrophobicContact CD2-CG 4.27Å; F97-P130 HydrophobicContact CE1-CB 3.6Å; F97-P130 HydrophobicContact CE1-CG 4.21Å; F97-P130 HydrophobicContact CZ-CB 3.56Å; F97-P130 HydrophobicContact CZ-CG 3.68Å; S125-P130 VanDerWaalsContact O-CA 3.27Å; S125-P130 WeakPolarHBondContact O-CA 3.32Å; S125-P130 WeakPolarHBondContact O-CB 3.18Å; F126-P130 HydrophobicContact CD2-CG 4.32Å; P127-P130 WeakPolarHBondContact O-CD 3.32Å
131V95.7Very high95.1Very high86 Ų8652.5 Ų52.552%0.52127%0.269SS..  trans-120.5144.6172-64.30000110.3Y124 S125 N129 L133Y124-V131 CarbonylContact C-O 3.55Å; Y124-V131 WeakPolarHBondContact CA-O 3.34Å; S125-V131 PolarHBondContact N-O 2.84Å; S125-V131 WeakPolarHBondContact OG-CG2 3.34Å; S125-V131 PolarHBondContact OG-N 2.79Å; N129-V131 PolarHBondContact O-N 3.13Å; V131-L133 HydrophobicContact CG2-CD2 4.12Å; V131-L133 PolarHBondContact O-N 3.27Å
132K96.1Very high95.1Very high112 Ų11256.1 Ų56.149%0.48729%0.292SS..EExtended strand (participates in β ladder)trans-68.1119.2177.6-172.3172.965.3170.80109.5F122 Y124 E135F122-K132 HydrophobicContact CD1-CD 3.92Å; F122-K132 HydrophobicContact CE1-CD 4.5Å; Y124-K132 HydrophobicContact CD1-CB 3.93Å; Y124-K132 HydrophobicContact CE1-CB 3.67Å; Y124-K132 HydrophobicContact CE1-CG 4.25Å; K132-E135 IonicContact NZ-OE2 3.78Å; K132-E135 PolarHBondContact NZ-OE2 2.99Å
133L94.8Very high94.9Very high47 Ų4761.1 Ų61.125%0.24631%0.314CS..EExtended strand (participates in β ladder)trans-95.1-46.6179.1-59.5176.3000111.3K112 V123 V131 T175K112-L133 HydrophobicContact CD-CD1 4.28Å; K112-L133 HydrophobicContact CG-CD1 4.19Å; V123-L133 PolarHBondContact O-N 2.95Å; V131-L133 HydrophobicContact CG2-CD2 4.12Å; V131-L133 PolarHBondContact O-N 3.27Å; L133-T175 HydrophobicContact CD1-CG2 3.96Å; L133-T175 HydrophobicContact CD2-CG2 4.27Å
134F94.6Very high94.9Very high31 Ų3161.2 Ų61.214%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-140.5154.5-176.3-50.8-81.8000111.7V123 F136 L172 N174 T175V123-F134 HydrophobicContact CB-CB 4Å; V123-F134 HydrophobicContact CB-CD2 3.98Å; V123-F134 HydrophobicContact CG1-CD2 4.01Å; V123-F134 HydrophobicContact CG2-CB 4.13Å; V123-F134 HydrophobicContact CG2-CD2 4.47Å; V123-F134 PolarHBondContact N-O 2.81Å; V123-F134 PolarHBondContact O-N 2.84Å; V123-F134 VanDerWaalsContact O-N 3.16Å; F134-F136 HydrophobicContact CB-CD2 4.48Å; F134-F136 HydrophobicContact CB-CE1 4.46Å; F134-F136 HydrophobicContact CB-CE2 3.64Å; F134-F136 HydrophobicContact CB-CZ 3.62Å; F134-F136 HydrophobicContact CD1-CZ 4.34Å; F134-F136 HydrophobicContact CG-CE2 4.38Å; F134-F136 HydrophobicContact CG-CZ 4.03Å; F134-L172 HydrophobicContact CD2-CD2 3.81Å; F134-L172 HydrophobicContact CE2-CB 4.16Å; F134-L172 HydrophobicContact CE2-CD2 4Å; F134-L172 HydrophobicContact CG-CD2 4.38Å; F134-N174 WeakPolarHBondContact CZ-O 3.01Å; F134-T175 HydrophobicContact CE2-CG2 4.04Å; F134-T175 HydrophobicContact CZ-CG2 4.08Å
135E95.4Very high95Very high74 Ų7460.3 Ų60.335%0.34631%0.312SS..EExtended strand (participates in β ladder)trans-139.1126.3171.4-175.9173.7159.600108K120 I121 F122 K132K120-E135 IonicContact NZ-OE1 2.8Å; K120-E135 PolarHBondContact NZ-OE1 3.36Å; I121-E135 WeakPolarHBondContact O-CA 3.29Å; F122-E135 HydrophobicContact CD1-CB 4.39Å; F122-E135 HydrophobicContact CD1-CG 3.95Å; F122-E135 VanDerWaalsContact CE1-CD 3.41Å; F122-E135 HydrophobicContact CE1-CG 3.74Å; F122-E135 HydrophobicContact CZ-CG 4.48Å; K132-E135 IonicContact NZ-OE2 3.78Å; K132-E135 PolarHBondContact NZ-OE2 2.99Å
136F95.2Very high95Very high25 Ų2559.3 Ų59.311%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-119.9127.5179.1-54.4-73.8000109.4K120 I121 V123 F134 L157 F159 V170 L172 P183K120-F136 CarbonylContact C-O 3.52Å; K120-F136 VanDerWaalsContact CA-O 3.29Å; K120-F136 WeakPolarHBondContact CA-O 3.48Å; I121-F136 HydrophobicContact CB-CB 4.4Å; I121-F136 HydrophobicContact CB-CD2 4.41Å; I121-F136 HydrophobicContact CG2-CD2 4.42Å; I121-F136 PolarHBondContact N-O 2.92Å; I121-F136 PolarHBondContact O-N 2.89Å; V123-F136 HydrophobicContact CG2-CD2 4.38Å; V123-F136 HydrophobicContact CG2-CE2 3.85Å; F134-F136 HydrophobicContact CB-CD2 4.48Å; F134-F136 HydrophobicContact CB-CE1 4.46Å; F134-F136 HydrophobicContact CB-CE2 3.64Å; F134-F136 HydrophobicContact CB-CZ 3.62Å; F134-F136 HydrophobicContact CD1-CZ 4.34Å; F134-F136 HydrophobicContact CG-CE2 4.38Å; F134-F136 HydrophobicContact CG-CZ 4.03Å; F136-L157 HydrophobicContact CD2-CD2 4.33Å; F136-L157 HydrophobicContact CE2-CD2 4.11Å; F136-F159 HydrophobicContact CB-CZ 4.04Å; F136-F159 HydrophobicContact CG-CZ 4.13Å; F136-V170 HydrophobicContact CE1-CG1 3.93Å; F136-V170 HydrophobicContact CE1-CG2 4.1Å; F136-V170 HydrophobicContact CZ-CB 4.26Å; F136-V170 HydrophobicContact CZ-CG1 3.69Å; F136-V170 HydrophobicContact CZ-CG2 4.22Å; F136-L172 HydrophobicContact CE2-CD2 4.06Å; F136-L172 HydrophobicContact CZ-CD2 4.03Å; F136-P183 HydrophobicContact CD1-CG 4.46Å; F136-P183 HydrophobicContact CE1-CG 4.45Å
137D94.1Very high95.2Very high94 Ų9460.5 Ų60.550%0.50331%0.312SS..EExtended strand (participates in β ladder)trans-75.1136.9165.5-67.1-50.7000109.3K120 H162K120-D137 WeakPolarHBondContact CE-OD1 3.22Å; K120-D137 IonicContact NZ-OD1 3.63Å; K120-D137 PolarHBondContact NZ-OD1 2.92Å; D137-H162 PolarHBondContact O-CE1 3.06Å; D137-H162 PolarHBondContact O-NE2 3.5Å
138T93.8Very high95.4Very high11 Ų1159 Ų597%0.06730%0.302CS..  trans-118.7162.4178.168.20000111N119 I121 F159N119-T138 VanDerWaalsContact CA-OG1 3.28Å; N119-T138 WeakPolarHBondContact CA-OG1 3.47Å; N119-T138 PolarHBondContact O-N 3.06Å; N119-T138 PolarHBondContact O-OG1 3.3Å; I121-T138 HydrophobicContact CD1-CG2 3.69Å; I121-T138 HydrophobicContact CG1-CG2 3.74Å; T138-F159 HydrophobicContact CG2-CD2 3.75Å; T138-F159 HydrophobicContact CG2-CE2 3.84Å
139R92.3Very high95.8Very high94 Ų9452.5 Ų52.536%0.35527%0.267SS..SBendtrans-59167.8156.8-172.6179174.9111.11109.3N141 H162 E192R139-N141 PolarHBondContact O-N 2.97Å; R139-H162 PolarHBondContact NH1-O 2.84Å; R139-E192 IonicContact NH2-OE1 2.7Å
140D95.2Very high95.9Very high75 Ų7546.3 Ų46.340%0.40124%0.235SC..  trans-44.8113.6163.8-161.736.7000112.3K118 N119 P142K118-D140 WeakPolarHBondContact CE-OD1 3.33Å; K118-D140 WeakPolarHBondContact CG-OD1 3.43Å; K118-D140 IonicContact NZ-OD1 3.89Å; N119-D140 WeakPolarHBondContact ND2-CA 3.48Å; D140-P142 VanDerWaalsContact C-CD 3.41Å
141N97Very high95.8Very high3 Ų345.9 Ų45.92%0.01623%0.233CC..  trans-127.263.5-177.4-17213.2000109.5L104 K118 R139 K143 G144 I145L104-N141 WeakPolarHBondContact CD1-O 3.38Å; K118-N141 WeakPolarHBondContact O-CB 3.48Å; K118-N141 PolarHBondContact O-N 2.85Å; R139-N141 PolarHBondContact O-N 2.97Å; N141-K143 PolarHBondContact O-N 3.25Å; N141-G144 PolarHBondContact O-N 2.81Å; N141-G144 PolarHBondContact OD1-N 3.25Å; N141-I145 VanDerWaalsContact CG-N 3.35Å; N141-I145 PolarHBondContact ND2-N 2.67Å; N141-I145 VanDerWaalsContact ND2-N 3.16Å; N141-I145 PolarHBondContact ND2-O 3.21Å; N141-I145 WeakPolarHBondContact OD1-CB 3.28Å; N141-I145 PolarHBondContact OD1-N 2.93Å
142P96.6Very high95.5Very high76 Ų7647.9 Ų47.949%0.49424%0.239SC..THydrogen-bonded Turntrans-66.3-12.9-172.328.4-36.9000113.9D140D140-P142 VanDerWaalsContact C-CD 3.41Å
143K95.9Very high95.3Very high125 Ų12551.5 Ų51.554%0.54326%0.258SS..THydrogen-bonded Turntrans-101.85.8176.8-66.6-171176.9-167.30113.5N141 I145N141-K143 PolarHBondContact O-N 3.25Å; K143-I145 HydrophobicContact CB-CD1 4.24Å; K143-I145 HydrophobicContact CB-CG1 3.83Å; K143-I145 PolarHBondContact O-N 2.91Å
144G97.6Very high95.2Very high1 Ų151.6 Ų51.61%0.0126%0.257CS..  trans60.229.5-179.100000114.1A105 N141 C146A105-G144 WeakPolarHBondContact CB-O 3.04Å; N141-G144 PolarHBondContact O-N 2.81Å; N141-G144 PolarHBondContact OD1-N 3.25Å; G144-C146 PolarHBondContact O-N 2.93Å; G144-C146 VanDerWaalsContact O-N 3.09Å
145I98.3Very high95.2Very high19 Ų1951.5 Ų51.510%0.09726%0.257CS..  trans-62.7115.4-174-56.8170.6000109.2N141 K143 P160 I193 V196N141-I145 VanDerWaalsContact CG-N 3.35Å; N141-I145 PolarHBondContact ND2-N 2.67Å; N141-I145 VanDerWaalsContact ND2-N 3.16Å; N141-I145 PolarHBondContact ND2-O 3.21Å; N141-I145 WeakPolarHBondContact OD1-CB 3.28Å; N141-I145 PolarHBondContact OD1-N 2.93Å; K143-I145 HydrophobicContact CB-CD1 4.24Å; K143-I145 HydrophobicContact CB-CG1 3.83Å; K143-I145 PolarHBondContact O-N 2.91Å; I145-P160 HydrophobicContact CB-CG 3.83Å; I145-P160 HydrophobicContact CD1-CG 4.39Å; I145-P160 HydrophobicContact CG2-CG 3.91Å; I145-P160 WeakPolarHBondContact O-CD 3.39Å; I145-I193 VanDerWaalsContact CD1-O 3.31Å; I145-I193 WeakPolarHBondContact CD1-O 3.47Å; I145-I193 HydrophobicContact CG2-CG2 4.36Å; I145-V196 HydrophobicContact CG2-CB 4.32Å; I145-V196 HydrophobicContact CG2-CG1 3.94Å; I145-V196 HydrophobicContact CG2-CG2 3.59Å
146C98.3Very high95.3Very high5 Ų548.1 Ų48.13%0.03424%0.241CC..  trans-157.1162.2164.671.90000108.7R107 V116 G144 L157 V158 F159R107-C146 VanDerWaalsContact CG-SG 3.58Å; V116-C146 HydrophobicContact CG2-CB 4.08Å; V116-C146 WeakPolarHBondContact CG2-SG 3.36Å; G144-C146 PolarHBondContact O-N 2.93Å; G144-C146 VanDerWaalsContact O-N 3.09Å; C146-L157 HydrophobicContact CB-CD1 4.36Å; C146-V158 CarbonylContact C-O 3.58Å; C146-V158 VanDerWaalsContact CA-O 3.22Å; C146-V158 WeakPolarHBondContact CA-O 3.46Å; C146-F159 HydrophobicContact CB-CB 4.17Å
147D98.4Very high95.5Very high33 Ų3347 Ų4718%0.17624%0.236CC..EExtended strand (participates in β ladder)trans-143.1151164.5-16426.1000111.4V158 V196 A197 L198D147-V158 HydrophobicContact CB-CG1 3.84Å; D147-V158 PolarHBondContact N-O 2.86Å; D147-V158 PolarHBondContact O-N 2.94Å; D147-V196 HydrophobicContact CB-CG2 4.09Å; D147-A197 VanDerWaalsContact OD2-CA 3.3Å; D147-A197 WeakPolarHBondContact OD2-CA 3.02Å; D147-L198 PolarHBondContact OD2-N 2.97Å
148L97.7Very high95.7Very high11 Ų1142.5 Ų42.56%0.05821%0.212CC..EExtended strand (participates in β ladder)trans-125.9127.4-172.2-179.869.8000109.7R107 R109 I114 P150 L157 L172R107-L148 HydrophobicContact CB-CB 4.14Å; R107-L148 HydrophobicContact CB-CD2 4.34Å; R109-L148 HydrophobicContact CB-CD2 3.84Å; R109-L148 HydrophobicContact CG-CD2 3.73Å; I114-L148 HydrophobicContact CD1-CD1 4Å; I114-L148 HydrophobicContact CD1-CD2 3.38Å; I114-L148 HydrophobicContact CD1-CG 4.27Å; I114-L148 HydrophobicContact CG1-CD1 4.27Å; I114-L148 HydrophobicContact CG1-CD2 4.17Å; L148-P150 WeakPolarHBondContact O-CD 3.21Å; L148-L157 HydrophobicContact CD1-CB 4.31Å; L148-L157 HydrophobicContact CD1-CD1 4.38Å; L148-L172 HydrophobicContact CD1-CD1 4.05Å
149C97.1Very high95.9Very high0 Ų042 Ų420%021%0.209CC..  trans-60.7122.9175.3-177.20000110.4R109 S151 K154 L156 L198 G202R109-C149 PolarHBondContact NH1-O 3.12Å; C149-S151 VanDerWaalsContact C-N 3.3Å; C149-S151 VanDerWaalsContact SG-CB 3.58Å; C149-K154 WeakPolarHBondContact CB-O 3.5Å; C149-K154 PolarHBondContact SG-O 2.87Å; C149-L156 HydrophobicContact CB-CB 3.99Å; C149-L156 WeakPolarHBondContact CB-O 3.09Å; C149-L156 PolarHBondContact N-O 3.15Å; C149-L198 HydrophobicContact CB-CD1 4.11Å; C149-G202 VanDerWaalsContact SG-CA 3.53Å
150P93.6Very high96.1Very high18 Ų1838.1 Ų38.112%0.11720%0.196CC..  trans-79.1-12.617932.7-36.1000113.1Q14 L148Q14-P150 HydrophobicContact CB-CB 3.92Å; Q14-P150 HydrophobicContact CG-CB 4.26Å; L148-P150 WeakPolarHBondContact O-CD 3.21Å
151S93.5Very high96.1Very high24 Ų2434.6 Ų34.617%0.16818%0.177CC..  trans-59.6140.2179.1176.60000112.8R109 C149 E153 Q200R109-S151 VanDerWaalsContact CZ-O 3.32Å; R109-S151 PolarHBondContact NH1-O 2.92Å; R109-S151 PolarHBondContact NH2-O 2.82Å; C149-S151 VanDerWaalsContact C-N 3.3Å; C149-S151 VanDerWaalsContact SG-CB 3.58Å; S151-E153 VanDerWaalsContact C-N 3.28Å; S151-E153 PolarHBondContact OG-N 2.87Å; S151-Q200 WeakPolarHBondContact CB-O 3.47Å
152L90.5Very high96Very high127 Ų12739.4 Ų39.467%0.66520%0.2SC*.SBendtrans-68.6-28.5170.3-64.1178.8000112.2
153E91.4Very high95.9Very high188 Ų18842 Ų4288%0.87920%0.203SC*.SBendtrans-83-28.2-175.5-59.9179.1173.900113S151S151-E153 VanDerWaalsContact C-N 3.28Å; S151-E153 PolarHBondContact OG-N 2.87Å
154K93Very high96Very high49 Ų4938.1 Ų38.121%0.21319%0.191CC..  trans-129.5118.5-175.1-164.8174.9-172.7179.50111.5R109 C149 L156 G202 T220R109-K154 PolarHBondContact NH1-O 3.43Å; R109-K154 VanDerWaalsContact NH1-O 3.17Å; C149-K154 WeakPolarHBondContact CB-O 3.5Å; C149-K154 PolarHBondContact SG-O 2.87Å; K154-L156 HydrophobicContact CD-CB 4.41Å; K154-L156 HydrophobicContact CG-CB 4.12Å; K154-L156 PolarHBondContact O-N 3.29Å; K154-G202 WeakPolarHBondContact CD-O 3.26Å; K154-G202 WeakPolarHBondContact CE-O 3.15Å; K154-G202 PolarHBondContact NZ-O 2.84Å; K154-T220 PolarHBondContact NZ-OG1 2.95Å
155Q95Very high95.9Very high30 Ų3038.2 Ų38.214%0.1419%0.192CC..  trans-98.952.8-177.7-46.4-155.3-1.800112.3D111 L172D111-Q155 PolarHBondContact OD2-NE2 3.36Å; D111-Q155 PolarHBondContact OD2-OE1 2.77Å; Q155-L172 HydrophobicContact CB-CB 4.01Å; Q155-L172 WeakPolarHBondContact O-CB 3.43Å; Q155-L172 WeakPolarHBondContact O-CG 3.19Å; Q155-L172 PolarHBondContact O-N 2.9Å; Q155-L172 PolarHBondContact OE1-O 3Å
156L97.3Very high95.9Very high3 Ų337.3 Ų37.32%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-88.1127.3-173.4-170.870.1000111.6C149 K154 L169 V170 F184 L198 G202 T220C149-L156 HydrophobicContact CB-CB 3.99Å; C149-L156 WeakPolarHBondContact CB-O 3.09Å; C149-L156 PolarHBondContact N-O 3.15Å; K154-L156 HydrophobicContact CD-CB 4.41Å; K154-L156 HydrophobicContact CG-CB 4.12Å; K154-L156 PolarHBondContact O-N 3.29Å; L156-L169 HydrophobicContact CD1-CB 4.2Å; L156-L169 HydrophobicContact CD2-CD2 4.14Å; L156-V170 WeakPolarHBondContact CA-O 3.46Å; L156-F184 HydrophobicContact CD1-CE1 4.36Å; L156-F184 HydrophobicContact CD1-CZ 4.39Å; L156-L198 HydrophobicContact CB-CD1 4.41Å; L156-L198 HydrophobicContact CD2-CD1 4.27Å; L156-L198 HydrophobicContact CD2-CD2 3.87Å; L156-L198 HydrophobicContact CG-CD1 4.29Å; L156-L198 WeakPolarHBondContact O-CD1 3.22Å; L156-G202 WeakPolarHBondContact CD2-O 3.42Å; L156-T220 HydrophobicContact CD2-CG2 3.68Å
157L98.1Very high95.9Very high0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-108.2135.6170.6174.368.2000109.3I114 I121 V123 F136 C146 L148 F159 L169 V170 L172I114-L157 HydrophobicContact CG1-CD1 4.32Å; I114-L157 HydrophobicContact CG2-CD1 4.15Å; I121-L157 HydrophobicContact CG2-CD2 4.26Å; V123-L157 HydrophobicContact CG2-CD2 4.32Å; F136-L157 HydrophobicContact CD2-CD2 4.33Å; F136-L157 HydrophobicContact CE2-CD2 4.11Å; C146-L157 HydrophobicContact CB-CD1 4.36Å; L148-L157 HydrophobicContact CD1-CB 4.31Å; L148-L157 HydrophobicContact CD1-CD1 4.38Å; L157-F159 HydrophobicContact CD2-CD1 4.08Å; L157-F159 HydrophobicContact CD2-CE1 4.06Å; L157-F159 HydrophobicContact CG-CD1 3.96Å; L157-F159 HydrophobicContact CG-CE1 4.28Å; L157-L169 CarbonylContact O-C 3.59Å; L157-L169 VanDerWaalsContact O-CA 3.3Å; L157-L169 WeakPolarHBondContact O-CA 3.43Å; L157-V170 PolarHBondContact N-O 2.97Å; L157-V170 PolarHBondContact O-N 3.35Å; L157-L172 HydrophobicContact CB-CD1 3.82Å; L157-L172 HydrophobicContact CB-CD2 4.48Å; L157-L172 HydrophobicContact CB-CG 4.15Å; L157-L172 HydrophobicContact CD2-CD1 4.35Å; L157-L172 HydrophobicContact CD2-CD2 4.47Å
158V98.5Very high95.9Very high0 Ų036.5 Ų36.50%018%0.182CC..EExtended strand (participates in β ladder)trans-122.9139.517365.90000111.3C146 D147 L167 Q168 L169 V196 L198C146-V158 CarbonylContact C-O 3.58Å; C146-V158 VanDerWaalsContact CA-O 3.22Å; C146-V158 WeakPolarHBondContact CA-O 3.46Å; D147-V158 HydrophobicContact CB-CG1 3.84Å; D147-V158 PolarHBondContact N-O 2.86Å; D147-V158 PolarHBondContact O-N 2.94Å; V158-L167 HydrophobicContact CG2-CB 4.25Å; V158-L167 HydrophobicContact CG2-CD2 4.45Å; V158-Q168 WeakPolarHBondContact CA-O 3.36Å; V158-L169 HydrophobicContact CB-CG 4.22Å; V158-L169 HydrophobicContact CG2-CD1 4.08Å; V158-L169 HydrophobicContact CG2-CG 3.91Å; V158-V196 HydrophobicContact CG1-CB 4.4Å; V158-V196 HydrophobicContact CG1-CG2 4.15Å; V158-L198 HydrophobicContact CB-CD1 4.31Å; V158-L198 HydrophobicContact CB-CD2 4.47Å; V158-L198 HydrophobicContact CB-CG 4.4Å; V158-L198 HydrophobicContact CG1-CD1 3.81Å; V158-L198 HydrophobicContact CG1-CD2 4.14Å; V158-L198 HydrophobicContact CG1-CG 3.65Å
159F98.1Very high95.8Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-155.4167176.455.3-85.9000111.3I121 F136 T138 C146 L157 G161 L167 Q168 V170I121-F159 HydrophobicContact CD1-CB 3.61Å; I121-F159 HydrophobicContact CD1-CD1 3.8Å; I121-F159 HydrophobicContact CD1-CD2 3.74Å; I121-F159 HydrophobicContact CD1-CE1 4.37Å; I121-F159 HydrophobicContact CD1-CE2 4.31Å; I121-F159 HydrophobicContact CD1-CG 3.45Å; I121-F159 VanDerWaalsContact CD1-CG 3.45Å; F136-F159 HydrophobicContact CB-CZ 4.04Å; F136-F159 HydrophobicContact CG-CZ 4.13Å; T138-F159 HydrophobicContact CG2-CD2 3.75Å; T138-F159 HydrophobicContact CG2-CE2 3.84Å; C146-F159 HydrophobicContact CB-CB 4.17Å; L157-F159 HydrophobicContact CD2-CD1 4.08Å; L157-F159 HydrophobicContact CD2-CE1 4.06Å; L157-F159 HydrophobicContact CG-CD1 3.96Å; L157-F159 HydrophobicContact CG-CE1 4.28Å; F159-G161 PolarHBondContact O-N 2.83Å; F159-L167 CarbonylContact O-C 3.54Å; F159-L167 WeakPolarHBondContact O-CA 3.14Å; F159-Q168 HydrophobicContact CD2-CB 4.13Å; F159-Q168 HydrophobicContact CE1-CB 4.29Å; F159-Q168 HydrophobicContact CE2-CB 3.73Å; F159-Q168 HydrophobicContact CZ-CB 3.81Å; F159-Q168 PolarHBondContact N-O 2.88Å; F159-Q168 PolarHBondContact O-N 2.73Å; F159-V170 HydrophobicContact CE1-CG2 3.77Å; F159-V170 HydrophobicContact CZ-CG2 4.14Å
160P97.6Very high95.8Very high14 Ų1436 Ų369%0.09118%0.18CC..EExtended strand (participates in β ladder)trans-60.3127.6174.8-23.334000112.1I145 I193I145-P160 HydrophobicContact CB-CG 3.83Å; I145-P160 HydrophobicContact CD1-CG 4.39Å; I145-P160 HydrophobicContact CG2-CG 3.91Å; I145-P160 WeakPolarHBondContact O-CD 3.39Å; P160-I193 HydrophobicContact CB-CB 4.18Å; P160-I193 HydrophobicContact CB-CG1 4.38Å; P160-I193 HydrophobicContact CG-CB 4.08Å; P160-I193 HydrophobicContact CG-CG2 4.14Å
161G94.9Very high95.9Very high1 Ų138.3 Ų38.31%0.0119%0.191CC..  trans-78.7170.8177.200000113.4F159 K163 S166F159-G161 PolarHBondContact O-N 2.83Å; G161-K163 VanDerWaalsContact C-N 3.31Å; G161-K163 PolarHBondContact O-N 2.72Å; G161-S166 WeakPolarHBondContact CA-OG 3.48Å; G161-S166 PolarHBondContact N-O 3.45Å
162H94.2Very high95.9Very high104 Ų10437.1 Ų37.148%0.48118%0.183SC..SBendtrans-59.7-38.3-179.4-63-72.5000113.7D137 R139 Q168D137-H162 PolarHBondContact O-CE1 3.06Å; D137-H162 PolarHBondContact O-NE2 3.5Å; R139-H162 PolarHBondContact NH1-O 2.84Å; H162-Q168 PolarHBondContact CD2-NE2 2.78Å
163K95.4Very high96Very high129 Ų12934.2 Ų34.256%0.56117%0.173SC*.SBendtrans-75.4134176.3-176.9177.7172.7-168.10109.6G161 G165 S166 N187G161-K163 VanDerWaalsContact C-N 3.31Å; G161-K163 PolarHBondContact O-N 2.72Å; K163-G165 PolarHBondContact O-N 3.24Å; K163-S166 PolarHBondContact N-OG 2.96Å; K163-S166 WeakPolarHBondContact O-CB 3.47Å; K163-S166 PolarHBondContact O-N 2.73Å; K163-S166 PolarHBondContact O-OG 3.27Å; K163-N187 WeakPolarHBondContact CD-OD1 3.36Å; K163-N187 PolarHBondContact NZ-OD1 2.99Å
164C96.7Very high95.9Very high44 Ų4428 Ų2830%0.29715%0.146SC..THydrogen-bonded Turntrans-51.2129.8177.4-174.70000110.9S166 E192C164-S166 PolarHBondContact O-N 3.38Å; C164-E192 PolarHBondContact SG-N 3.31Å
165G97.1Very high95.5Very high3 Ų329 Ų293%0.03116%0.156CC..THydrogen-bonded Turntrans70.79.3-179.700000115.6K163 A188 H189 S191 I193K163-G165 PolarHBondContact O-N 3.24Å; G165-A188 PolarHBondContact O-N 3.09Å; G165-A188 VanDerWaalsContact O-N 3.13Å; G165-H189 WeakPolarHBondContact CA-O 3.36Å; G165-H189 PolarHBondContact O-N 2.89Å; G165-S191 WeakPolarHBondContact CA-O 3.44Å; G165-I193 WeakPolarHBondContact O-CD1 3.34Å
166S97.8Very high94.9Very high1 Ų134.9 Ų34.91%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-92154.8173.170.90000112.1G161 K163 C164 I186 I193G161-S166 WeakPolarHBondContact CA-OG 3.48Å; G161-S166 PolarHBondContact N-O 3.45Å; K163-S166 PolarHBondContact N-OG 2.96Å; K163-S166 WeakPolarHBondContact O-CB 3.47Å; K163-S166 PolarHBondContact O-N 2.73Å; K163-S166 PolarHBondContact O-OG 3.27Å; C164-S166 PolarHBondContact O-N 3.38Å; S166-I186 CarbonylContact C-O 3.55Å; S166-I186 WeakPolarHBondContact CA-O 3.47Å; S166-I186 WeakPolarHBondContact CB-O 3.11Å; S166-I193 WeakPolarHBondContact O-CG1 3.33Å
167L98.1Very high93.7Very high0 Ų041.3 Ų41.30%022%0.223CC..EExtended strand (participates in β ladder)trans-108.1138.8169.9-57.2173.5000108.6V158 F159 L169 T185 I186 A188 I193 V196 F218V158-L167 HydrophobicContact CG2-CB 4.25Å; V158-L167 HydrophobicContact CG2-CD2 4.45Å; F159-L167 CarbonylContact O-C 3.54Å; F159-L167 WeakPolarHBondContact O-CA 3.14Å; L167-L169 HydrophobicContact CB-CD1 3.87Å; L167-T185 CarbonylContact O-C 3.36Å; L167-T185 VanDerWaalsContact O-CA 3.25Å; L167-T185 WeakPolarHBondContact O-CA 3.5Å; L167-I186 HydrophobicContact CB-CB 4.38Å; L167-I186 PolarHBondContact N-O 3.03Å; L167-I186 PolarHBondContact O-N 3.12Å; L167-A188 HydrophobicContact CD1-CB 3.97Å; L167-A188 HydrophobicContact CG-CB 3.95Å; L167-I193 HydrophobicContact CD2-CD1 3.81Å; L167-I193 HydrophobicContact CD2-CG1 3.91Å; L167-I193 HydrophobicContact CD2-CG2 4.1Å; L167-I193 HydrophobicContact CG-CD1 4.41Å; L167-V196 HydrophobicContact CD2-CG1 3.55Å; L167-F218 HydrophobicContact CD1-CD2 4.48Å
168Q97.4Very high92.3Very high21 Ų2145.5 Ų45.510%0.09827%0.267CS..EExtended strand (participates in β ladder)trans-104.7134164.6-88.6178.4-32.700109.4V158 F159 H162 P183 F184V158-Q168 WeakPolarHBondContact CA-O 3.36Å; F159-Q168 HydrophobicContact CD2-CB 4.13Å; F159-Q168 HydrophobicContact CE1-CB 4.29Å; F159-Q168 HydrophobicContact CE2-CB 3.73Å; F159-Q168 HydrophobicContact CZ-CB 3.81Å; F159-Q168 PolarHBondContact N-O 2.88Å; F159-Q168 PolarHBondContact O-N 2.73Å; H162-Q168 PolarHBondContact CD2-NE2 2.78Å; Q168-P183 HydrophobicContact CB-CB 4.44Å; Q168-P183 HydrophobicContact CG-CB 4.27Å; Q168-F184 WeakPolarHBondContact CA-O 3.27Å
169L97.4Very high91Very high0 Ų048.3 Ų48.30%028%0.284CS..EExtended strand (participates in β ladder)trans-123.7133.1179.4-71.785.8000108.8L156 L157 V158 L167 P183 F184 I186 A205 T220L156-L169 HydrophobicContact CD1-CB 4.2Å; L156-L169 HydrophobicContact CD2-CD2 4.14Å; L157-L169 CarbonylContact O-C 3.59Å; L157-L169 VanDerWaalsContact O-CA 3.3Å; L157-L169 WeakPolarHBondContact O-CA 3.43Å; V158-L169 HydrophobicContact CB-CG 4.22Å; V158-L169 HydrophobicContact CG2-CD1 4.08Å; V158-L169 HydrophobicContact CG2-CG 3.91Å; L167-L169 HydrophobicContact CB-CD1 3.87Å; L169-P183 WeakPolarHBondContact O-CA 3.46Å; L169-F184 HydrophobicContact CB-CD1 4.09Å; L169-F184 HydrophobicContact CB-CD2 3.99Å; L169-F184 HydrophobicContact CB-CE1 3.56Å; L169-F184 HydrophobicContact CB-CE2 3.47Å; L169-F184 VanDerWaalsContact CB-CE2 3.47Å; L169-F184 HydrophobicContact CB-CG 4.28Å; L169-F184 HydrophobicContact CB-CZ 3.23Å; L169-F184 HydrophobicContact CD1-CD2 4.46Å; L169-F184 HydrophobicContact CD1-CE2 4.05Å; L169-F184 HydrophobicContact CD2-CE2 3.67Å; L169-F184 HydrophobicContact CD2-CZ 3.63Å; L169-F184 HydrophobicContact CG-CE2 3.92Å; L169-F184 HydrophobicContact CG-CZ 3.97Å; L169-F184 PolarHBondContact N-O 3.01Å; L169-F184 WeakPolarHBondContact O-CD1 3.33Å; L169-F184 PolarHBondContact O-N 2.93Å; L169-I186 HydrophobicContact CD1-CD1 3.81Å; L169-I186 HydrophobicContact CD1-CG1 4Å; L169-I186 HydrophobicContact CD2-CD1 4.38Å; L169-A205 HydrophobicContact CD2-CB 4.47Å; L169-T220 HydrophobicContact CD2-CG2 3.87Å
170V96.4Very high89.5Confident0 Ų053.4 Ų53.40%032%0.319CS..EExtended strand (participates in β ladder)trans-134.2130.5-175.3-167.80000110.5F136 L156 L157 F159 L172 P183F136-V170 HydrophobicContact CE1-CG1 3.93Å; F136-V170 HydrophobicContact CE1-CG2 4.1Å; F136-V170 HydrophobicContact CZ-CB 4.26Å; F136-V170 HydrophobicContact CZ-CG1 3.69Å; F136-V170 HydrophobicContact CZ-CG2 4.22Å; L156-V170 WeakPolarHBondContact CA-O 3.46Å; L157-V170 PolarHBondContact N-O 2.97Å; L157-V170 PolarHBondContact O-N 3.35Å; F159-V170 HydrophobicContact CE1-CG2 3.77Å; F159-V170 HydrophobicContact CZ-CG2 4.14Å; V170-L172 HydrophobicContact CB-CD2 4.42Å; V170-L172 HydrophobicContact CG1-CD2 4.09Å; V170-P183 HydrophobicContact CG2-CB 3.66Å; V170-P183 HydrophobicContact CG2-CG 3.67Å
171D95.1Very high88.4Confident66 Ų6654 Ų5435%0.35332%0.324SS..EExtended strand (participates in β ladder)trans-85.3115.7169.1-171.8-17.6000110.1S173 S181D171-S173 VanDerWaalsContact CG-OG 3.25Å; D171-S173 WeakPolarHBondContact OD1-CB 3.42Å; D171-S173 PolarHBondContact OD1-N 2.65Å; D171-S173 PolarHBondContact OD1-OG 3.16Å; D171-S173 PolarHBondContact OD2-OG 3.01Å; D171-S181 WeakPolarHBondContact O-CB 3.2Å; D171-S181 PolarHBondContact O-OG 3.23Å
172L94.7Very high87.7Confident0 Ų057.5 Ų57.50%035%0.353CS..  trans-89.94.5-176.8-55.4177.7000113.5K112 V123 F134 F136 L148 Q155 L157 V170 N174K112-L172 HydrophobicContact CD-CB 4.02Å; K112-L172 HydrophobicContact CD-CD1 4.18Å; K112-L172 VanDerWaalsContact CE-O 3.28Å; K112-L172 WeakPolarHBondContact CE-O 3.34Å; V123-L172 HydrophobicContact CG1-CD1 4.11Å; V123-L172 HydrophobicContact CG2-CD1 4.45Å; V123-L172 HydrophobicContact CG2-CD2 4.32Å; F134-L172 HydrophobicContact CD2-CD2 3.81Å; F134-L172 HydrophobicContact CE2-CB 4.16Å; F134-L172 HydrophobicContact CE2-CD2 4Å; F134-L172 HydrophobicContact CG-CD2 4.38Å; F136-L172 HydrophobicContact CE2-CD2 4.06Å; F136-L172 HydrophobicContact CZ-CD2 4.03Å; L148-L172 HydrophobicContact CD1-CD1 4.05Å; Q155-L172 HydrophobicContact CB-CB 4.01Å; Q155-L172 WeakPolarHBondContact O-CB 3.43Å; Q155-L172 WeakPolarHBondContact O-CG 3.19Å; Q155-L172 PolarHBondContact O-N 2.9Å; Q155-L172 PolarHBondContact OE1-O 3Å; L157-L172 HydrophobicContact CB-CD1 3.82Å; L157-L172 HydrophobicContact CB-CD2 4.48Å; L157-L172 HydrophobicContact CB-CG 4.15Å; L157-L172 HydrophobicContact CD2-CD1 4.35Å; L157-L172 HydrophobicContact CD2-CD2 4.47Å; V170-L172 HydrophobicContact CB-CD2 4.42Å; V170-L172 HydrophobicContact CG1-CD2 4.09Å; L172-N174 VanDerWaalsContact C-N 3.35Å; L172-N174 PolarHBondContact O-N 3.05Å
173S92.4Very high87.5Confident65 Ų6554.9 Ų54.946%0.45535%0.345SS..  trans-67-33.7-177.559.10000113.2D171 T175D171-S173 VanDerWaalsContact CG-OG 3.25Å; D171-S173 WeakPolarHBondContact OD1-CB 3.42Å; D171-S173 PolarHBondContact OD1-N 2.65Å; D171-S173 PolarHBondContact OD1-OG 3.16Å; D171-S173 PolarHBondContact OD2-OG 3.01Å; S173-T175 PolarHBondContact O-N 3.44Å
174N88Confident87.4Confident59 Ų5950.6 Ų50.632%0.31633%0.326SS..  trans-91.590.3-175.7-163.6-7.2000111.9F134 L172 T179F134-N174 WeakPolarHBondContact CZ-O 3.01Å; L172-N174 VanDerWaalsContact C-N 3.35Å; L172-N174 PolarHBondContact O-N 3.05Å; N174-T179 WeakPolarHBondContact ND2-CB 3.33Å; N174-T179 PolarHBondContact ND2-OG1 2.87Å; N174-T179 WeakPolarHBondContact OD1-CB 3.41Å; N174-T179 PolarHBondContact OD1-OG1 2.96Å
175T85.8Confident87.4Confident68 Ų6851.5 Ų51.542%0.41733%0.331SS..  trans-96.24.6-177.458.40000113.9L133 F134 S173L133-T175 HydrophobicContact CD1-CG2 3.96Å; L133-T175 HydrophobicContact CD2-CG2 4.27Å; F134-T175 HydrophobicContact CE2-CG2 4.04Å; F134-T175 HydrophobicContact CZ-CG2 4.08Å; S173-T175 PolarHBondContact O-N 3.44Å
176K81.9Confident87.5Confident154 Ų15451.7 Ų51.767%0.6733%0.331SS*.SBendtrans-68.1134.8-177.8-69-174.3-179.2-179.80110.1G178 T179K176-G178 PolarHBondContact O-N 2.94Å; K176-T179 HydrophobicContact CB-CG2 4.24Å; K176-T179 PolarHBondContact O-N 2.89Å; K176-T179 PolarHBondContact O-OG1 3.11Å
177P71.3Confident87.5Confident138 Ų13856.6 Ų56.690%0.89636%0.357SS*.THydrogen-bonded Turntrans-55.6129.8173.2-25.134000111.1
178G69.3Low87.4Confident89 Ų8956.8 Ų56.892%0.91836%0.359SS*.THydrogen-bonded Turntrans89.3-4.617800000115.8K176K176-G178 PolarHBondContact O-N 2.94Å
179T72.3Confident87.5Confident58 Ų5856.6 Ų56.636%0.35636%0.358SS..  trans-93.5131.216755.70000109.7N174 K176N174-T179 WeakPolarHBondContact ND2-CB 3.33Å; N174-T179 PolarHBondContact ND2-OG1 2.87Å; N174-T179 WeakPolarHBondContact OD1-CB 3.41Å; N174-T179 PolarHBondContact OD1-OG1 2.96Å; K176-T179 HydrophobicContact CB-CG2 4.24Å; K176-T179 PolarHBondContact O-N 2.89Å; K176-T179 PolarHBondContact O-OG1 3.11Å
180S66.3Low87.4Confident107 Ų10764.8 Ų64.875%0.74840%0.396SS*.  trans-104116.7176.9-175.70000109.9A182S180-A182 VanDerWaalsContact C-N 3.32Å; S180-A182 PolarHBondContact O-N 2.73Å
181S73.4Confident87.4Confident27 Ų2765.9 Ų65.919%0.18940%0.404CS..  trans-83.481.2159.8-70.30000108.5D171 P183D171-S181 WeakPolarHBondContact O-CB 3.2Å; D171-S181 PolarHBondContact O-OG 3.23Å; S181-P183 WeakPolarHBondContact O-CD 3.33Å
182A81.6Confident87.5Confident74 Ų7465.8 Ų65.861%0.61240%0.401SS*.PPolyproline II helixtrans-58.4127.2179.300000110.2S180 F184S180-A182 VanDerWaalsContact C-N 3.32Å; S180-A182 PolarHBondContact O-N 2.73Å; A182-F184 PolarHBondContact O-N 2.83Å
183P89.4Confident87.7Confident49 Ų4966.4 Ų66.432%0.31840%0.404SS..PPolyproline II helixtrans-57.4137.9173.6-22.330.9000110.8F136 Q168 L169 V170 S181F136-P183 HydrophobicContact CD1-CG 4.46Å; F136-P183 HydrophobicContact CE1-CG 4.45Å; Q168-P183 HydrophobicContact CB-CB 4.44Å; Q168-P183 HydrophobicContact CG-CB 4.27Å; L169-P183 WeakPolarHBondContact O-CA 3.46Å; V170-P183 HydrophobicContact CG2-CB 3.66Å; V170-P183 HydrophobicContact CG2-CG 3.67Å; S181-P183 WeakPolarHBondContact O-CD 3.33Å
184F93.6Very high87.9Confident39 Ų3963.9 Ų63.917%0.17139%0.387CS..EExtended strand (participates in β ladder)trans-102152.5166.564.2-87.7000110.7L156 Q168 L169 A182 T220 R223L156-F184 HydrophobicContact CD1-CE1 4.36Å; L156-F184 HydrophobicContact CD1-CZ 4.39Å; Q168-F184 WeakPolarHBondContact CA-O 3.27Å; L169-F184 HydrophobicContact CB-CD1 4.09Å; L169-F184 HydrophobicContact CB-CD2 3.99Å; L169-F184 HydrophobicContact CB-CE1 3.56Å; L169-F184 HydrophobicContact CB-CE2 3.47Å; L169-F184 VanDerWaalsContact CB-CE2 3.47Å; L169-F184 HydrophobicContact CB-CG 4.28Å; L169-F184 HydrophobicContact CB-CZ 3.23Å; L169-F184 HydrophobicContact CD1-CD2 4.46Å; L169-F184 HydrophobicContact CD1-CE2 4.05Å; L169-F184 HydrophobicContact CD2-CE2 3.67Å; L169-F184 HydrophobicContact CD2-CZ 3.63Å; L169-F184 HydrophobicContact CG-CE2 3.92Å; L169-F184 HydrophobicContact CG-CZ 3.97Å; L169-F184 PolarHBondContact N-O 3.01Å; L169-F184 WeakPolarHBondContact O-CD1 3.33Å; L169-F184 PolarHBondContact O-N 2.93Å; A182-F184 PolarHBondContact O-N 2.83Å; F184-T220 VanDerWaalsContact CE2-O 3.25Å; F184-T220 WeakPolarHBondContact CE2-O 3.25Å; F184-T220 WeakPolarHBondContact CZ-O 3.3Å; F184-R223 HydrophobicContact CD2-CG 3.94Å; F184-R223 HydrophobicContact CE2-CG 4.09Å
185T96.7Very high88.4Confident64 Ų6461.7 Ų61.739%0.39338%0.376SS..EExtended strand (participates in β ladder)trans-116.2137.2-170.8-59.90000111.6L167L167-T185 CarbonylContact O-C 3.36Å; L167-T185 VanDerWaalsContact O-CA 3.25Å; L167-T185 WeakPolarHBondContact O-CA 3.5Å
186I98.1Very high89Confident7 Ų759.1 Ų59.14%0.03636%0.36CS..EExtended strand (participates in β ladder)trans-115.6123.7170.6-58.7-179.4000108.5S166 L167 L169 A188 F218 R223S166-I186 CarbonylContact C-O 3.55Å; S166-I186 WeakPolarHBondContact CA-O 3.47Å; S166-I186 WeakPolarHBondContact CB-O 3.11Å; L167-I186 HydrophobicContact CB-CB 4.38Å; L167-I186 PolarHBondContact N-O 3.03Å; L167-I186 PolarHBondContact O-N 3.12Å; L169-I186 HydrophobicContact CD1-CD1 3.81Å; L169-I186 HydrophobicContact CD1-CG1 4Å; L169-I186 HydrophobicContact CD2-CD1 4.38Å; I186-A188 VanDerWaalsContact C-N 3.34Å; I186-A188 HydrophobicContact CG2-CB 4.42Å; I186-A188 PolarHBondContact O-N 2.97Å; I186-F218 HydrophobicContact CD1-CB 3.91Å; I186-F218 HydrophobicContact CD1-CG 4.36Å; I186-F218 HydrophobicContact CG2-CB 4.48Å; I186-F218 HydrophobicContact CG2-CD1 3.48Å; I186-F218 VanDerWaalsContact CG2-CD1 3.48Å; I186-F218 HydrophobicContact CG2-CD2 4.33Å; I186-F218 HydrophobicContact CG2-CE1 3.66Å; I186-F218 HydrophobicContact CG2-CE2 4.49Å; I186-F218 HydrophobicContact CG2-CG 3.84Å; I186-F218 HydrophobicContact CG2-CZ 4.19Å; I186-R223 HydrophobicContact CD1-CB 4.3Å; I186-R223 HydrophobicContact CG1-CB 4.12Å; I186-R223 HydrophobicContact CG1-CG 4.36Å
187N97.8Very high89.8Confident103 Ų10351.9 Ų51.955%0.55133%0.329SS*.EExtended strand (participates in β ladder)trans-79.381.8173.5-67.3-69.7000109.7K163K163-N187 WeakPolarHBondContact CD-OD1 3.36Å; K163-N187 PolarHBondContact NZ-OD1 2.99Å
188A97.6Very high91Very high5 Ų545.9 Ų45.94%0.04129%0.29CS..  trans-81.4-38-168.100000114.1G165 L167 I186 I193 R216 F218G165-A188 PolarHBondContact O-N 3.09Å; G165-A188 VanDerWaalsContact O-N 3.13Å; L167-A188 HydrophobicContact CD1-CB 3.97Å; L167-A188 HydrophobicContact CG-CB 3.95Å; I186-A188 VanDerWaalsContact C-N 3.34Å; I186-A188 HydrophobicContact CG2-CB 4.42Å; I186-A188 PolarHBondContact O-N 2.97Å; A188-I193 HydrophobicContact CB-CD1 4.41Å; A188-R216 VanDerWaalsContact O-CD 3.22Å; A188-R216 WeakPolarHBondContact O-CD 3.43Å; A188-R216 PolarHBondContact O-NH1 3.01Å; A188-F218 HydrophobicContact CB-CE2 3.61Å; A188-F218 HydrophobicContact CB-CZ 3.59Å
189H97.8Very high92.4Very high16 Ų1641.8 Ų41.87%0.07425%0.247CC..  trans-142.9164.6-173.5-61.2-88.4000111.9G165 I193 S207 R216G165-H189 WeakPolarHBondContact CA-O 3.36Å; G165-H189 PolarHBondContact O-N 2.89Å; H189-I193 HydrophobicContact CB-CD1 4.47Å; H189-S207 PolarHBondContact CE1-O 2.86Å; H189-S207 PolarHBondContact NE2-O 3.26Å; H189-S207 VanDerWaalsContact NE2-O 3.11Å; H189-S207 PolarHBondContact NE2-OG 3.31Å; H189-R216 PolarHBondContact ND1-NH1 2.89Å
190Q96.3Very high93.5Very high172 Ų17241 Ų4180%0.80424%0.239SC*.SBendtrans-88-23.6172.9-67.1174.8-2.400112.7
191S96.6Very high94.9Very high23 Ų2338.5 Ų38.516%0.16123%0.225CC..SBendtrans-108.5162.5176.6460000110.9G165 S209G165-S191 WeakPolarHBondContact CA-O 3.44Å; S191-S209 WeakPolarHBondContact O-CB 3.38Å; S191-S209 WeakPolarHBondContact OG-CB 3.48Å; S191-S209 PolarHBondContact OG-OG 2.87Å
192E96.9Very high96.1Very high65 Ų6537.2 Ų37.230%0.30422%0.216SC..  trans-49.7141-178.4-61.4-179.1149.100112.4R139 C164 S209 R210R139-E192 IonicContact NH2-OE1 2.7Å; C164-E192 PolarHBondContact SG-N 3.31Å; E192-S209 CarbonylContact O-C 3.55Å; E192-S209 WeakPolarHBondContact O-CA 3.31Å; E192-S209 WeakPolarHBondContact O-CB 3.46Å; E192-R210 HydrophobicContact CB-CG 3.98Å; E192-R210 PolarHBondContact O-N 3.2Å; E192-R210 WeakPolarHBondContact OE2-CD 3.32Å; E192-R210 IonicContact OE2-CZ 3.81Å; E192-R210 IonicContact OE2-NE 2.7Å; E192-R210 IonicContact OE2-NH1 2.91Å; E192-R210 PolarHBondContact OE2-NH1 3.17Å
193I98.1Very high96.8Very high13 Ų1335.9 Ų35.97%0.06720%0.202CC..EExtended strand (participates in β ladder)trans-65.2133.6174.4-58.6-59.1000108.7I145 P160 G165 S166 L167 A188 H189 V196I145-I193 VanDerWaalsContact CD1-O 3.31Å; I145-I193 WeakPolarHBondContact CD1-O 3.47Å; I145-I193 HydrophobicContact CG2-CG2 4.36Å; P160-I193 HydrophobicContact CB-CB 4.18Å; P160-I193 HydrophobicContact CB-CG1 4.38Å; P160-I193 HydrophobicContact CG-CB 4.08Å; P160-I193 HydrophobicContact CG-CG2 4.14Å; G165-I193 WeakPolarHBondContact O-CD1 3.34Å; S166-I193 WeakPolarHBondContact O-CG1 3.33Å; L167-I193 HydrophobicContact CD2-CD1 3.81Å; L167-I193 HydrophobicContact CD2-CG1 3.91Å; L167-I193 HydrophobicContact CD2-CG2 4.1Å; L167-I193 HydrophobicContact CG-CD1 4.41Å; A188-I193 HydrophobicContact CB-CD1 4.41Å; H189-I193 HydrophobicContact CB-CD1 4.47Å; I193-V196 HydrophobicContact CG2-CG1 3.43Å; I193-V196 VanDerWaalsContact CG2-CG1 3.43Å
194A97.1Very high97.2Very high11 Ų1134.6 Ų34.69%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-116.5-24.6179.200000112.8A208 S209 R210A194-A208 PolarHBondContact N-O 2.79Å; A194-S209 VanDerWaalsContact CB-C 3.49Å; A194-R210 HydrophobicContact CB-CG 4.11Å
195C97.8Very high97.5Very high13 Ų1332.8 Ų32.89%0.08819%0.185CC..EExtended strand (participates in β ladder)trans-153.7143.5178.6-167.70000109.7S207 A208 L238 I241C195-S207 WeakPolarHBondContact O-CA 3.45Å; C195-A208 HydrophobicContact CB-CB 4.44Å; C195-A208 PolarHBondContact N-O 2.83Å; C195-A208 VanDerWaalsContact N-O 3.17Å; C195-A208 PolarHBondContact O-N 3.03Å; C195-L238 HydrophobicContact CB-CB 4.25Å; C195-I241 HydrophobicContact CB-CD1 3.99Å; C195-I241 HydrophobicContact CB-CG1 4.44Å
196V98.4Very high97.6Very high14 Ų1429.7 Ų29.79%0.08517%0.167CC..EExtended strand (participates in β ladder)trans-138.9150175.5-57.70000109.3I145 D147 V158 L167 I193 A206I145-V196 HydrophobicContact CG2-CB 4.32Å; I145-V196 HydrophobicContact CG2-CG1 3.94Å; I145-V196 HydrophobicContact CG2-CG2 3.59Å; D147-V196 HydrophobicContact CB-CG2 4.09Å; V158-V196 HydrophobicContact CG1-CB 4.4Å; V158-V196 HydrophobicContact CG1-CG2 4.15Å; L167-V196 HydrophobicContact CD2-CG1 3.55Å; I193-V196 HydrophobicContact CG2-CG1 3.43Å; I193-V196 VanDerWaalsContact CG2-CG1 3.43Å; V196-A206 CarbonylContact C-O 3.54Å; V196-A206 WeakPolarHBondContact CA-O 3.45Å
197A98.6Very high97.6Very high2 Ų229.4 Ų29.42%0.01717%0.165CC..EExtended strand (participates in β ladder)trans-151.3143.817200000110.4D147 A205 A206 I241 F243D147-A197 VanDerWaalsContact OD2-CA 3.3Å; D147-A197 WeakPolarHBondContact OD2-CA 3.02Å; A197-A205 CarbonylContact O-C 3.54Å; A197-A205 WeakPolarHBondContact O-CA 3.29Å; A197-A206 PolarHBondContact N-O 3.28Å; A197-A206 PolarHBondContact O-N 3.05Å; A197-I241 HydrophobicContact CB-CB 4.13Å; A197-I241 HydrophobicContact CB-CG2 4.04Å; A197-I241 WeakPolarHBondContact CB-O 3.33Å; A197-F243 HydrophobicContact CB-CD2 4.43Å; A197-F243 HydrophobicContact CB-CE2 4.24Å
198L98.6Very high97.6Very high12 Ų1224.5 Ų24.56%0.06314%0.139CC..EExtended strand (participates in β ladder)trans-101.5148.2166.7-70.2169.5000109.2D147 C149 L156 V158 A205 T220D147-L198 PolarHBondContact OD2-N 2.97Å; C149-L198 HydrophobicContact CB-CD1 4.11Å; L156-L198 HydrophobicContact CB-CD1 4.41Å; L156-L198 HydrophobicContact CD2-CD1 4.27Å; L156-L198 HydrophobicContact CD2-CD2 3.87Å; L156-L198 HydrophobicContact CG-CD1 4.29Å; L156-L198 WeakPolarHBondContact O-CD1 3.22Å; V158-L198 HydrophobicContact CB-CD1 4.31Å; V158-L198 HydrophobicContact CB-CD2 4.47Å; V158-L198 HydrophobicContact CB-CG 4.4Å; V158-L198 HydrophobicContact CG1-CD1 3.81Å; V158-L198 HydrophobicContact CG1-CD2 4.14Å; V158-L198 HydrophobicContact CG1-CG 3.65Å; L198-A205 HydrophobicContact CD2-CB 3.85Å; L198-T220 HydrophobicContact CD2-CG2 4.03Å
199N97.9Very high97.7Very high4 Ų424.6 Ų24.62%0.02114%0.139CC..  trans-75167.9166.373.6-27.6000111A201 G202 S203 V204 F243 S247N199-A201 VanDerWaalsContact C-N 3.25Å; N199-A201 PolarHBondContact O-N 2.89Å; N199-G202 WeakPolarHBondContact O-CA 3.45Å; N199-G202 PolarHBondContact O-N 2.9Å; N199-G202 WeakPolarHBondContact OD1-CA 3.47Å; N199-G202 PolarHBondContact OD1-N 2.91Å; N199-G202 VanDerWaalsContact OD1-N 3.09Å; N199-S203 PolarHBondContact ND2-OG 2.95Å; N199-S203 PolarHBondContact OD1-N 3.41Å; N199-V204 PolarHBondContact N-O 3.03Å; N199-V204 VanDerWaalsContact N-O 3.1Å; N199-V204 PolarHBondContact OD1-N 3.45Å; N199-V204 PolarHBondContact OD1-O 2.84Å; N199-F243 HydrophobicContact CB-CB 4.11Å; N199-F243 HydrophobicContact CB-CD1 3.9Å; N199-F243 HydrophobicContact CB-CD2 3.85Å; N199-F243 HydrophobicContact CB-CE1 4.23Å; N199-F243 HydrophobicContact CB-CE2 4.2Å; N199-F243 HydrophobicContact CB-CG 3.68Å; N199-F243 HydrophobicContact CB-CZ 4.37Å; N199-S247 WeakPolarHBondContact CB-OG 3.23Å; N199-S247 PolarHBondContact ND2-OG 2.88Å
200Q95.6Very high97.6Very high42 Ų4232 Ų3220%0.19617%0.166CC..THydrogen-bonded Turntrans-55.4-38.1-176.1-70.2-65.4-33.400113.4Q14 S151 G202Q14-Q200 PolarHBondContact O-NE2 3.02Å; S151-Q200 WeakPolarHBondContact CB-O 3.47Å; Q200-G202 VanDerWaalsContact C-N 3.3Å; Q200-G202 PolarHBondContact O-N 2.9Å
201A96.3Very high97.6Very high54 Ų5429.2 Ų29.245%0.44615%0.152SC..THydrogen-bonded Turntrans-79.4-9.3177.700000113.9N199 S203N199-A201 VanDerWaalsContact C-N 3.25Å; N199-A201 PolarHBondContact O-N 2.89Å; A201-S203 PolarHBondContact O-N 3.27Å
202G97Very high97.6Very high0 Ų028.1 Ų28.10%014%0.144CC..SBendtrans61.721.2-173.200000113.6C149 K154 L156 N199 Q200 T220C149-G202 VanDerWaalsContact SG-CA 3.53Å; K154-G202 WeakPolarHBondContact CD-O 3.26Å; K154-G202 WeakPolarHBondContact CE-O 3.15Å; K154-G202 PolarHBondContact NZ-O 2.84Å; L156-G202 WeakPolarHBondContact CD2-O 3.42Å; N199-G202 WeakPolarHBondContact O-CA 3.45Å; N199-G202 PolarHBondContact O-N 2.9Å; N199-G202 WeakPolarHBondContact OD1-CA 3.47Å; N199-G202 PolarHBondContact OD1-N 2.91Å; N199-G202 VanDerWaalsContact OD1-N 3.09Å; Q200-G202 VanDerWaalsContact C-N 3.3Å; Q200-G202 PolarHBondContact O-N 2.9Å; G202-T220 WeakPolarHBondContact O-CG2 3.46Å; G202-T220 PolarHBondContact O-OG1 3.24Å
203S97.4Very high97.6Very high45 Ų4526.3 Ų26.332%0.31514%0.138SC..  trans-83.7-26.9177.957.80000112.5N199 A201 T220N199-S203 PolarHBondContact ND2-OG 2.95Å; N199-S203 PolarHBondContact OD1-N 3.41Å; A201-S203 PolarHBondContact O-N 3.27Å; S203-T220 WeakPolarHBondContact CA-OG1 3.35Å; S203-T220 WeakPolarHBondContact O-CB 3.16Å; S203-T220 WeakPolarHBondContact O-CG2 3.45Å; S203-T220 PolarHBondContact O-N 2.9Å; S203-T220 PolarHBondContact O-OG1 2.91Å
204V98.3Very high97.6Very high22 Ų2226.7 Ų26.713%0.13314%0.14CC..EExtended strand (participates in β ladder)trans-126.1133.5-177.5-175.70000110.6N199 L217 F218 L226 F243N199-V204 PolarHBondContact N-O 3.03Å; N199-V204 VanDerWaalsContact N-O 3.1Å; N199-V204 PolarHBondContact OD1-N 3.45Å; N199-V204 PolarHBondContact OD1-O 2.84Å; V204-L217 HydrophobicContact CG1-CB 4.02Å; V204-L217 HydrophobicContact CG1-CD2 4.09Å; V204-L217 HydrophobicContact CG1-CG 4.29Å; V204-F218 WeakPolarHBondContact CA-O 3.32Å; V204-L226 HydrophobicContact CG1-CD1 4.13Å; V204-L226 HydrophobicContact CG2-CD1 3.96Å; V204-F243 HydrophobicContact CB-CE1 4.38Å; V204-F243 HydrophobicContact CB-CZ 4.29Å; V204-F243 HydrophobicContact CG1-CE1 4.03Å; V204-F243 HydrophobicContact CG1-CZ 3.86Å
205A98.6Very high97.6Very high1 Ų126.2 Ų26.21%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-108.6124.117100000110.4L169 A197 L198 L217 F218 T220L169-A205 HydrophobicContact CD2-CB 4.47Å; A197-A205 CarbonylContact O-C 3.54Å; A197-A205 WeakPolarHBondContact O-CA 3.29Å; L198-A205 HydrophobicContact CD2-CB 3.85Å; A205-L217 CarbonylContact O-C 3.51Å; A205-L217 WeakPolarHBondContact O-CA 3.22Å; A205-F218 PolarHBondContact N-O 3.48Å; A205-F218 PolarHBondContact O-N 2.97Å; A205-T220 HydrophobicContact CB-CG2 3.95Å
206A98.7Very high97.7Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-96.2144168.300000110.4V196 A197 I215 R216 L217 I241 F243 L250V196-A206 CarbonylContact C-O 3.54Å; V196-A206 WeakPolarHBondContact CA-O 3.45Å; A197-A206 PolarHBondContact N-O 3.28Å; A197-A206 PolarHBondContact O-N 3.05Å; A206-I215 HydrophobicContact CB-CG2 4.39Å; A206-R216 CarbonylContact C-O 3.6Å; A206-R216 WeakPolarHBondContact CA-O 3.34Å; A206-L217 HydrophobicContact CB-CG 4.3Å; A206-I241 HydrophobicContact CB-CG2 3.95Å; A206-F243 HydrophobicContact CB-CE2 3.73Å; A206-F243 HydrophobicContact CB-CZ 3.63Å; A206-L250 HydrophobicContact CB-CD1 3.84Å
207S98.7Very high97.7Very high0 Ų027 Ų270%014%0.136CC..EExtended strand (participates in β ladder)trans-147.6148.4173.160.70000112.7H189 C195 I215 R216H189-S207 PolarHBondContact CE1-O 2.86Å; H189-S207 PolarHBondContact NE2-O 3.26Å; H189-S207 VanDerWaalsContact NE2-O 3.11Å; H189-S207 PolarHBondContact NE2-OG 3.31Å; C195-S207 WeakPolarHBondContact O-CA 3.45Å; S207-I215 WeakPolarHBondContact O-CA 3.42Å; S207-R216 PolarHBondContact N-O 2.9Å; S207-R216 PolarHBondContact O-N 2.68Å
208A98.5Very high97.7Very high0 Ų027.4 Ų27.40%014%0.137CC..EExtended strand (participates in β ladder)trans-128.1149.4167.700000110A194 C195 I215 L238 I241A194-A208 PolarHBondContact N-O 2.79Å; C195-A208 HydrophobicContact CB-CB 4.44Å; C195-A208 PolarHBondContact N-O 2.83Å; C195-A208 VanDerWaalsContact N-O 3.17Å; C195-A208 PolarHBondContact O-N 3.03Å; A208-I215 HydrophobicContact CB-CG1 4.32Å; A208-L238 HydrophobicContact CB-CD1 4.19Å; A208-L238 HydrophobicContact CB-CD2 3.66Å; A208-L238 HydrophobicContact CB-CG 4.45Å; A208-I241 HydrophobicContact CB-CD1 4Å
209S97.9Very high97.6Very high7 Ų728.6 Ų28.65%0.04914%0.143CC..EExtended strand (participates in β ladder)trans-97.6176.2175.664.50000112.1S191 E192 A194 K211 G212S191-S209 WeakPolarHBondContact O-CB 3.38Å; S191-S209 WeakPolarHBondContact OG-CB 3.48Å; S191-S209 PolarHBondContact OG-OG 2.87Å; E192-S209 CarbonylContact O-C 3.55Å; E192-S209 WeakPolarHBondContact O-CA 3.31Å; E192-S209 WeakPolarHBondContact O-CB 3.46Å; A194-S209 VanDerWaalsContact CB-C 3.49Å; S209-K211 PolarHBondContact O-N 2.8Å; S209-K211 VanDerWaalsContact O-N 3.13Å; S209-G212 VanDerWaalsContact O-CA 3.28Å; S209-G212 WeakPolarHBondContact O-CA 3.33Å; S209-G212 PolarHBondContact O-N 3.11Å
210R96.6Very high97.6Very high172 Ų17228.6 Ų28.665%0.64914%0.143SC*.THydrogen-bonded Turntrans-58.8-21.1175.1-72.1-17368.5-174.70.5114.5E192 A194 G212E192-R210 HydrophobicContact CB-CG 3.98Å; E192-R210 PolarHBondContact O-N 3.2Å; E192-R210 WeakPolarHBondContact OE2-CD 3.32Å; E192-R210 IonicContact OE2-CZ 3.81Å; E192-R210 IonicContact OE2-NE 2.7Å; E192-R210 IonicContact OE2-NH1 2.91Å; E192-R210 PolarHBondContact OE2-NH1 3.17Å; A194-R210 HydrophobicContact CB-CG 4.11Å; R210-G212 VanDerWaalsContact C-N 3.3Å
211K97.1Very high97.6Very high114 Ų11431.5 Ų31.550%0.49616%0.164SC..THydrogen-bonded Turntrans-67.1-35.9168.9-71.6-175.5179.3-174.30111.2S209 T213 P235 A236S209-K211 PolarHBondContact O-N 2.8Å; S209-K211 VanDerWaalsContact O-N 3.13Å; K211-T213 PolarHBondContact O-N 2.88Å; K211-P235 VanDerWaalsContact O-CA 3.22Å; K211-P235 WeakPolarHBondContact O-CA 3.25Å; K211-P235 WeakPolarHBondContact O-CB 3.44Å; K211-A236 PolarHBondContact O-N 3.31Å
212G96.6Very high97.6Very high0 Ų032.6 Ų32.60%017%0.165CC..  trans62.33174.800000116.6S209 R210 L214 R231 A236 L238S209-G212 VanDerWaalsContact O-CA 3.28Å; S209-G212 WeakPolarHBondContact O-CA 3.33Å; S209-G212 PolarHBondContact O-N 3.11Å; R210-G212 VanDerWaalsContact C-N 3.3Å; G212-L214 VanDerWaalsContact C-N 3.29Å; G212-R231 PolarHBondContact O-NE 3.17Å; G212-R231 PolarHBondContact O-NH2 2.9Å; G212-A236 WeakPolarHBondContact CA-O 3.34Å; G212-L238 WeakPolarHBondContact O-CD1 3.3Å
213T96.6Very high97.5Very high27 Ų2738.9 Ų38.917%0.16619%0.189CC..SBendtrans-71.6-26.3179.254.10000112.6K211 R231 T233K211-T213 PolarHBondContact O-N 2.88Å; T213-R231 PolarHBondContact O-N 2.98Å; T213-T233 WeakPolarHBondContact CG2-O 3.46Å
214L97.1Very high97.5Very high21 Ų2141.5 Ų41.511%0.1120%0.199CC..EExtended strand (participates in β ladder)trans-127.3141-175.4-61.5174.7000110.8G212 E228 L229 R230G212-L214 VanDerWaalsContact C-N 3.29Å; L214-E228 HydrophobicContact CD1-CG 4.34Å; L214-E228 WeakPolarHBondContact CD1-OE1 3.45Å; L214-E228 HydrophobicContact CD2-CG 4.16Å; L214-L229 CarbonylContact C-O 3.54Å; L214-L229 VanDerWaalsContact CA-O 3.31Å; L214-L229 WeakPolarHBondContact CA-O 3.04Å; L214-R230 HydrophobicContact CD2-CB 4.15Å; L214-R230 HydrophobicContact CD2-CG 4.37Å
215I98.4Very high97.4Very high0 Ų045.6 Ų45.60%022%0.215CC..EExtended strand (participates in β ladder)trans-113.7128.2167.1-55.8168.1000106.6A206 S207 A208 L217 L229 L238 I241 L250 A252 F262A206-I215 HydrophobicContact CB-CG2 4.39Å; S207-I215 WeakPolarHBondContact O-CA 3.42Å; A208-I215 HydrophobicContact CB-CG1 4.32Å; I215-L217 HydrophobicContact CG2-CD1 4.29Å; I215-L229 HydrophobicContact CB-CB 4.25Å; I215-L229 PolarHBondContact N-O 2.95Å; I215-L229 PolarHBondContact O-N 2.99Å; I215-L238 HydrophobicContact CD1-CD2 4.01Å; I215-L238 HydrophobicContact CG1-CD2 4.01Å; I215-I241 HydrophobicContact CG1-CD1 4.39Å; I215-I241 HydrophobicContact CG2-CD1 3.96Å; I215-L250 HydrophobicContact CD1-CD2 4.18Å; I215-L250 HydrophobicContact CG2-CD2 4.49Å; I215-A252 HydrophobicContact CD1-CB 3.51Å; I215-F262 HydrophobicContact CD1-CE2 4Å; I215-F262 HydrophobicContact CD1-CZ 4.47Å
216R98.2Very high97.2Very high40 Ų4049.7 Ų49.715%0.15124%0.237CC..EExtended strand (participates in β ladder)trans-116.5134.9-179.4-71.1179.9175.8119.37.9110.5A188 H189 A206 S207 F218 K225 E228A188-R216 VanDerWaalsContact O-CD 3.22Å; A188-R216 WeakPolarHBondContact O-CD 3.43Å; A188-R216 PolarHBondContact O-NH1 3.01Å; H189-R216 PolarHBondContact ND1-NH1 2.89Å; A206-R216 CarbonylContact C-O 3.6Å; A206-R216 WeakPolarHBondContact CA-O 3.34Å; S207-R216 PolarHBondContact N-O 2.9Å; S207-R216 PolarHBondContact O-N 2.68Å; R216-F218 HydrophobicContact CB-CD2 4.39Å; R216-F218 HydrophobicContact CB-CE2 3.41Å; R216-F218 VanDerWaalsContact CB-CE2 3.41Å; R216-F218 HydrophobicContact CB-CZ 3.61Å; R216-F218 HydrophobicContact CG-CZ 4.44Å; R216-K225 HydrophobicContact CG-CD 4.2Å; R216-E228 HydrophobicContact CG-CB 4.45Å; R216-E228 HydrophobicContact CG-CG 4.05Å; R216-E228 IonicContact CZ-OE2 3.58Å; R216-E228 IonicContact NE-OE2 2.96Å; R216-E228 PolarHBondContact NE-OE2 2.76Å; R216-E228 IonicContact NH2-OE1 3.62Å; R216-E228 IonicContact NH2-OE2 3.88Å; R216-E228 PolarHBondContact NH2-OE2 2.93Å; R216-E228 VanDerWaalsContact NH2-OE2 3.12Å
217L98.5Very high97Very high5 Ų550.9 Ų50.93%0.02624%0.244CC..EExtended strand (participates in β ladder)trans-107.4137.4177.7-7275.6000109.2V204 A205 A206 I215 K225 L226 V227 L229 F243 L250 L264V204-L217 HydrophobicContact CG1-CB 4.02Å; V204-L217 HydrophobicContact CG1-CD2 4.09Å; V204-L217 HydrophobicContact CG1-CG 4.29Å; A205-L217 CarbonylContact O-C 3.51Å; A205-L217 WeakPolarHBondContact O-CA 3.22Å; A206-L217 HydrophobicContact CB-CG 4.3Å; I215-L217 HydrophobicContact CG2-CD1 4.29Å; L217-K225 CarbonylContact O-C 3.58Å; L217-L226 HydrophobicContact CB-CB 4.46Å; L217-L226 PolarHBondContact O-N 3.06Å; L217-V227 HydrophobicContact CB-CB 4.36Å; L217-V227 HydrophobicContact CD1-CB 4.49Å; L217-V227 PolarHBondContact N-O 3.4Å; L217-V227 PolarHBondContact O-N 3.1Å; L217-L229 HydrophobicContact CD1-CD1 3.57Å; L217-L229 HydrophobicContact CD1-CG 3.98Å; L217-F243 HydrophobicContact CD2-CE1 3.92Å; L217-F243 HydrophobicContact CD2-CZ 4.29Å; L217-L250 HydrophobicContact CD1-CD1 4.25Å; L217-L250 HydrophobicContact CD2-CD1 4.37Å; L217-L250 HydrophobicContact CG-CD1 4.47Å; L217-L264 HydrophobicContact CD2-CD1 3.67Å; L217-L264 HydrophobicContact CD2-CD2 3.57Å; L217-L264 HydrophobicContact CD2-CG 4.23Å
218F98.6Very high96.8Very high9 Ų952.1 Ų52.14%0.03925%0.25CC..EExtended strand (participates in β ladder)trans-130.5141.4-178-57.8-91.6000110.5L167 I186 A188 V204 A205 R216 T220 D224 K225L167-F218 HydrophobicContact CD1-CD2 4.48Å; I186-F218 HydrophobicContact CD1-CB 3.91Å; I186-F218 HydrophobicContact CD1-CG 4.36Å; I186-F218 HydrophobicContact CG2-CB 4.48Å; I186-F218 HydrophobicContact CG2-CD1 3.48Å; I186-F218 VanDerWaalsContact CG2-CD1 3.48Å; I186-F218 HydrophobicContact CG2-CD2 4.33Å; I186-F218 HydrophobicContact CG2-CE1 3.66Å; I186-F218 HydrophobicContact CG2-CE2 4.49Å; I186-F218 HydrophobicContact CG2-CG 3.84Å; I186-F218 HydrophobicContact CG2-CZ 4.19Å; A188-F218 HydrophobicContact CB-CE2 3.61Å; A188-F218 HydrophobicContact CB-CZ 3.59Å; V204-F218 WeakPolarHBondContact CA-O 3.32Å; A205-F218 PolarHBondContact N-O 3.48Å; A205-F218 PolarHBondContact O-N 2.97Å; R216-F218 HydrophobicContact CB-CD2 4.39Å; R216-F218 HydrophobicContact CB-CE2 3.41Å; R216-F218 VanDerWaalsContact CB-CE2 3.41Å; R216-F218 HydrophobicContact CB-CZ 3.61Å; R216-F218 HydrophobicContact CG-CZ 4.44Å; F218-T220 PolarHBondContact O-N 2.9Å; F218-D224 CarbonylContact C-O 3.6Å; F218-D224 VanDerWaalsContact CA-O 3.23Å; F218-D224 WeakPolarHBondContact CA-O 3.35Å; F218-K225 HydrophobicContact CD1-CB 3.9Å; F218-K225 HydrophobicContact CD1-CG 4.27Å; F218-K225 HydrophobicContact CE1-CB 3.71Å; F218-K225 HydrophobicContact CE1-CD 4.35Å; F218-K225 HydrophobicContact CE1-CG 3.86Å; F218-K225 HydrophobicContact CZ-CG 4.29Å
219D97.9Very high96.7Very high38 Ų3852.1 Ų52.120%0.20325%0.25CC..EExtended strand (participates in β ladder)trans-69.3127.3166.6-169.8-75.8000108.6T221 T222 R223 D224 L226D219-T221 VanDerWaalsContact C-N 3.26Å; D219-T221 PolarHBondContact O-N 2.78Å; D219-T221 VanDerWaalsContact OD1-CA 3.3Å; D219-T221 WeakPolarHBondContact OD1-CA 3.41Å; D219-T221 VanDerWaalsContact OD1-CB 3.29Å; D219-T221 WeakPolarHBondContact OD1-CB 3.24Å; D219-T221 PolarHBondContact OD1-N 2.9Å; D219-T222 WeakPolarHBondContact CB-OG1 3.42Å; D219-T222 PolarHBondContact OD1-N 2.93Å; D219-R223 WeakPolarHBondContact O-CA 3.41Å; D219-R223 PolarHBondContact O-N 3.05Å; D219-D224 PolarHBondContact N-O 2.93Å; D219-L226 HydrophobicContact CB-CD1 4.13Å; D219-L226 HydrophobicContact CB-CD2 4.05Å; D219-L226 HydrophobicContact CB-CG 4.14Å
220T97.1Very high96.6Very high3 Ų352.9 Ų52.92%0.01825%0.252CS..THydrogen-bonded Turntrans-75.9-15.2-176.857.80000113.1K154 L156 L169 F184 L198 G202 S203 A205 F218K154-T220 PolarHBondContact NZ-OG1 2.95Å; L156-T220 HydrophobicContact CD2-CG2 3.68Å; L169-T220 HydrophobicContact CD2-CG2 3.87Å; F184-T220 VanDerWaalsContact CE2-O 3.25Å; F184-T220 WeakPolarHBondContact CE2-O 3.25Å; F184-T220 WeakPolarHBondContact CZ-O 3.3Å; L198-T220 HydrophobicContact CD2-CG2 4.03Å; G202-T220 WeakPolarHBondContact O-CG2 3.46Å; G202-T220 PolarHBondContact O-OG1 3.24Å; S203-T220 WeakPolarHBondContact CA-OG1 3.35Å; S203-T220 WeakPolarHBondContact O-CB 3.16Å; S203-T220 WeakPolarHBondContact O-CG2 3.45Å; S203-T220 PolarHBondContact O-N 2.9Å; S203-T220 PolarHBondContact O-OG1 2.91Å; A205-T220 HydrophobicContact CB-CG2 3.95Å; F218-T220 PolarHBondContact O-N 2.9Å
221T94.9Very high96.5Very high103 Ų10345.1 Ų45.163%0.63222%0.222SC*.THydrogen-bonded Turntrans-96.7-55.5179.6-53.50000110.3D219D219-T221 VanDerWaalsContact C-N 3.26Å; D219-T221 PolarHBondContact O-N 2.78Å; D219-T221 VanDerWaalsContact OD1-CA 3.3Å; D219-T221 WeakPolarHBondContact OD1-CA 3.41Å; D219-T221 VanDerWaalsContact OD1-CB 3.29Å; D219-T221 WeakPolarHBondContact OD1-CB 3.24Å; D219-T221 PolarHBondContact OD1-N 2.9Å
222T96.1Very high96.3Very high77 Ų7740.1 Ų40.147%0.47220%0.203SC..THydrogen-bonded Turntrans-80.6-20.9-177.978.30000112.8D219 D224D219-T222 WeakPolarHBondContact CB-OG1 3.42Å; D219-T222 PolarHBondContact OD1-N 2.93Å; T222-D224 VanDerWaalsContact CB-OD2 3.27Å; T222-D224 WeakPolarHBondContact CB-OD2 3.35Å; T222-D224 PolarHBondContact O-N 3.41Å; T222-D224 WeakPolarHBondContact OG1-CB 3.28Å; T222-D224 VanDerWaalsContact OG1-CG 3.25Å; T222-D224 PolarHBondContact OG1-N 2.79Å; T222-D224 PolarHBondContact OG1-OD2 3.47Å
223R96Very high96Very high133 Ų13344.3 Ų44.350%0.50223%0.229SC..  trans71.18.7-177.2-48.2168.9-167.9168.53.2113.6F184 I186 D219F184-R223 HydrophobicContact CD2-CG 3.94Å; F184-R223 HydrophobicContact CE2-CG 4.09Å; I186-R223 HydrophobicContact CD1-CB 4.3Å; I186-R223 HydrophobicContact CG1-CB 4.12Å; I186-R223 HydrophobicContact CG1-CG 4.36Å; D219-R223 WeakPolarHBondContact O-CA 3.41Å; D219-R223 PolarHBondContact O-N 3.05Å
224D96.4Very high95.8Very high99 Ų9948 Ų4853%0.52925%0.248SC..  trans-73.7143.3179.4-64.1-43.8000111.1F218 D219 T222 L226F218-D224 CarbonylContact C-O 3.6Å; F218-D224 VanDerWaalsContact CA-O 3.23Å; F218-D224 WeakPolarHBondContact CA-O 3.35Å; D219-D224 PolarHBondContact N-O 2.93Å; T222-D224 VanDerWaalsContact CB-OD2 3.27Å; T222-D224 WeakPolarHBondContact CB-OD2 3.35Å; T222-D224 PolarHBondContact O-N 3.41Å; T222-D224 WeakPolarHBondContact OG1-CB 3.28Å; T222-D224 VanDerWaalsContact OG1-CG 3.25Å; T222-D224 PolarHBondContact OG1-N 2.79Å; T222-D224 PolarHBondContact OG1-OD2 3.47Å; D224-L226 PolarHBondContact O-N 3.24Å
225K96.1Very high95.7Very high108 Ų10851.1 Ų51.147%0.4727%0.269SS..EExtended strand (participates in β ladder)trans-72.6112.5169.6-172.1178.270.3172.70108.7R216 L217 F218 E228R216-K225 HydrophobicContact CG-CD 4.2Å; L217-K225 CarbonylContact O-C 3.58Å; F218-K225 HydrophobicContact CD1-CB 3.9Å; F218-K225 HydrophobicContact CD1-CG 4.27Å; F218-K225 HydrophobicContact CE1-CB 3.71Å; F218-K225 HydrophobicContact CE1-CD 4.35Å; F218-K225 HydrophobicContact CE1-CG 3.86Å; F218-K225 HydrophobicContact CZ-CG 4.29Å; K225-E228 IonicContact NZ-OE2 2.69Å; K225-E228 PolarHBondContact NZ-OE2 2.86Å
226L95.1Very high95.5Very high87 Ų8751.3 Ų51.346%0.45527%0.27SS..EExtended strand (participates in β ladder)trans-78.7-52.2-179.4-63176.5000111.6V204 L217 D219 D224V204-L226 HydrophobicContact CG1-CD1 4.13Å; V204-L226 HydrophobicContact CG2-CD1 3.96Å; L217-L226 HydrophobicContact CB-CB 4.46Å; L217-L226 PolarHBondContact O-N 3.06Å; D219-L226 HydrophobicContact CB-CD1 4.13Å; D219-L226 HydrophobicContact CB-CD2 4.05Å; D219-L226 HydrophobicContact CB-CG 4.14Å; D224-L226 PolarHBondContact O-N 3.24Å
227V93.6Very high95.3Very high25 Ų2552 Ų5215%0.15228%0.279CS..EExtended strand (participates in β ladder)trans-145.3145.5-172.2-178.10000110.3L217 L229L217-V227 HydrophobicContact CB-CB 4.36Å; L217-V227 HydrophobicContact CD1-CB 4.49Å; L217-V227 PolarHBondContact N-O 3.4Å; L217-V227 PolarHBondContact O-N 3.1Å; V227-L229 HydrophobicContact CG1-CD2 3.51Å; V227-L229 HydrophobicContact CG1-CG 3.95Å
228E94.8Very high95.3Very high26 Ų2652 Ų5212%0.12128%0.279CS..EExtended strand (participates in β ladder)trans-119.8114.8169.3-173.9168.5118.300109.4L214 R216 K225L214-E228 HydrophobicContact CD1-CG 4.34Å; L214-E228 WeakPolarHBondContact CD1-OE1 3.45Å; L214-E228 HydrophobicContact CD2-CG 4.16Å; R216-E228 HydrophobicContact CG-CB 4.45Å; R216-E228 HydrophobicContact CG-CG 4.05Å; R216-E228 IonicContact CZ-OE2 3.58Å; R216-E228 IonicContact NE-OE2 2.96Å; R216-E228 PolarHBondContact NE-OE2 2.76Å; R216-E228 IonicContact NH2-OE1 3.62Å; R216-E228 IonicContact NH2-OE2 3.88Å; R216-E228 PolarHBondContact NH2-OE2 2.93Å; R216-E228 VanDerWaalsContact NH2-OE2 3.12Å; K225-E228 IonicContact NZ-OE2 2.69Å; K225-E228 PolarHBondContact NZ-OE2 2.86Å
229L96.7Very high95.2Very high0 Ų055.2 Ų55.20%029%0.292CS..EExtended strand (participates in β ladder)trans-102.9134.8-178.1-55.4172.9000109.3L214 I215 L217 V227 L250 F262 L264 Q292L214-L229 CarbonylContact C-O 3.54Å; L214-L229 VanDerWaalsContact CA-O 3.31Å; L214-L229 WeakPolarHBondContact CA-O 3.04Å; I215-L229 HydrophobicContact CB-CB 4.25Å; I215-L229 PolarHBondContact N-O 2.95Å; I215-L229 PolarHBondContact O-N 2.99Å; L217-L229 HydrophobicContact CD1-CD1 3.57Å; L217-L229 HydrophobicContact CD1-CG 3.98Å; V227-L229 HydrophobicContact CG1-CD2 3.51Å; V227-L229 HydrophobicContact CG1-CG 3.95Å; L229-L250 HydrophobicContact CD1-CD2 4.16Å; L229-F262 HydrophobicContact CB-CD1 3.87Å; L229-F262 HydrophobicContact CB-CE1 3.87Å; L229-F262 HydrophobicContact CB-CG 4.31Å; L229-F262 HydrophobicContact CB-CZ 4.31Å; L229-F262 HydrophobicContact CD1-CB 3.75Å; L229-F262 HydrophobicContact CD1-CD1 4.07Å; L229-F262 HydrophobicContact CD1-CD2 4.03Å; L229-F262 HydrophobicContact CD1-CG 3.7Å; L229-F262 HydrophobicContact CD2-CB 4.1Å; L229-F262 HydrophobicContact CD2-CD1 3.89Å; L229-F262 HydrophobicContact CD2-CG 4.2Å; L229-F262 HydrophobicContact CG-CB 4.48Å; L229-F262 HydrophobicContact CG-CD1 4.16Å; L229-F262 HydrophobicContact CG-CG 4.29Å; L229-L264 HydrophobicContact CD1-CD2 3.97Å; L229-Q292 CarbonylContact C-O 3.48Å; L229-Q292 WeakPolarHBondContact CA-O 3.18Å; L229-Q292 HydrophobicContact CD2-CB 4.15Å
230R96.6Very high95.1Very high24 Ų2454.1 Ų54.19%0.09129%0.287CS..EExtended strand (participates in β ladder)trans-100.2110.2177.4-176.2169.4-64.6-79.9-3.1109.8L214 Y288 S291 Q292 W293L214-R230 HydrophobicContact CD2-CB 4.15Å; L214-R230 HydrophobicContact CD2-CG 4.37Å; R230-Y288 VanDerWaalsContact CZ-CD2 3.42Å; R230-S291 VanDerWaalsContact NE-CB 3.28Å; R230-S291 PolarHBondContact NE-OG 3.16Å; R230-S291 PolarHBondContact NH2-OG 3.18Å; R230-Q292 PolarHBondContact N-O 2.83Å; R230-W293 HydrophobicContact CB-CD2 4.29Å; R230-W293 HydrophobicContact CB-CG 4.46Å; R230-W293 HydrophobicContact CG-CD2 4.06Å; R230-W293 HydrophobicContact CG-CE3 4.21Å; R230-W293 HydrophobicContact CG-CH2 4.12Å; R230-W293 HydrophobicContact CG-CZ2 3.95Å; R230-W293 HydrophobicContact CG-CZ3 4.25Å
231R94.8Very high95.2Very high9 Ų954.2 Ų54.23%0.03429%0.287CS..  trans-73-42175.4-175.2-83.5-53.6136.71.9110.9G212 T213 D234 A236 H260 F262G212-R231 PolarHBondContact O-NE 3.17Å; G212-R231 PolarHBondContact O-NH2 2.9Å; T213-R231 PolarHBondContact O-N 2.98Å; R231-D234 PolarHBondContact NH1-O 3.36Å; R231-D234 PolarHBondContact NH2-O 3.31Å; R231-A236 VanDerWaalsContact NH2-N 3.15Å; R231-H260 PolarHBondContact O-CE1 2.88Å; R231-H260 PolarHBondContact O-NE2 2.75Å; R231-F262 HydrophobicContact CB-CZ 4.44Å
232G92.3Very high95.3Very high9 Ų951 Ų519%0.09327%0.266CS..  trans-176.6176.9174.600000112.7
233T90.1Very high95.4Very high87 Ų8747.6 Ų47.653%0.53425%0.245SC..SBendtrans-74.3-44.8176-50.60000111.1T213T213-T233 WeakPolarHBondContact CG2-O 3.46Å
234D91.8Very high95.4Very high106 Ų10641.5 Ų41.557%0.56722%0.222SC*.SBendtrans-81145.6-175.6-57.4-41.8000111.9R231R231-D234 PolarHBondContact NH1-O 3.36Å; R231-D234 PolarHBondContact NH2-O 3.31Å
235P95.7Very high95.2Very high85 Ų8542.9 Ų42.955%0.55223%0.225SC*.  trans-56.4145.4170.5-24.334.6000112.5K211 K256K211-P235 VanDerWaalsContact O-CA 3.22Å; K211-P235 WeakPolarHBondContact O-CA 3.25Å; K211-P235 WeakPolarHBondContact O-CB 3.44Å; P235-K256 WeakPolarHBondContact O-CE 3.42Å; P235-K256 PolarHBondContact O-NZ 2.87Å
236A94.8Very high95.1Very high4 Ų442 Ų423%0.03323%0.226CC..  trans-150.6145.617800000110.4K211 G212 R231 L238 D255 K256K211-A236 PolarHBondContact O-N 3.31Å; G212-A236 WeakPolarHBondContact CA-O 3.34Å; R231-A236 VanDerWaalsContact NH2-N 3.15Å; A236-L238 PolarHBondContact O-N 2.89Å; A236-D255 VanDerWaalsContact CA-OD1 3.29Å; A236-D255 WeakPolarHBondContact CA-OD1 3.31Å; A236-D255 VanDerWaalsContact CB-OD1 3.3Å; A236-D255 WeakPolarHBondContact CB-OD1 3.38Å; A236-K256 HydrophobicContact CB-CD 4.48Å; A236-K256 HydrophobicContact CB-CG 3.67Å
237T94.5Very high95.1Very high54 Ų5439.3 Ų39.333%0.33121%0.214SC..  trans-82.8112.7170.4-51.60000108.5S254 D255T237-S254 CarbonylContact O-C 3.58Å; T237-S254 WeakPolarHBondContact O-CA 3.25Å; T237-S254 WeakPolarHBondContact O-CB 3.33Å; T237-D255 WeakPolarHBondContact CB-OD2 3.33Å; T237-D255 PolarHBondContact N-OD1 3.39Å; T237-D255 PolarHBondContact N-OD2 2.68Å; T237-D255 PolarHBondContact O-N 2.95Å; T237-D255 PolarHBondContact OG1-OD2 2.94Å
238L96.5Very high95.1Very high6 Ų638.8 Ų38.83%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-73.4137.8172.8-79.877.5000110C195 A208 G212 I215 A236 I241 A252 S253C195-L238 HydrophobicContact CB-CB 4.25Å; A208-L238 HydrophobicContact CB-CD1 4.19Å; A208-L238 HydrophobicContact CB-CD2 3.66Å; A208-L238 HydrophobicContact CB-CG 4.45Å; G212-L238 WeakPolarHBondContact O-CD1 3.3Å; I215-L238 HydrophobicContact CD1-CD2 4.01Å; I215-L238 HydrophobicContact CG1-CD2 4.01Å; A236-L238 PolarHBondContact O-N 2.89Å; L238-I241 HydrophobicContact CD2-CD1 3.85Å; L238-I241 HydrophobicContact CD2-CG1 3.78Å; L238-A252 HydrophobicContact CD2-CB 4.22Å; L238-S253 WeakPolarHBondContact CA-O 3.31Å
239Y96.6Very high95.2Very high77 Ų7738.4 Ų38.430%0.30221%0.21SC..EExtended strand (participates in β ladder)trans-92.1-45.2173.6-59.4-56.5000111S253 S254 D255 A305 C306Y239-S253 PolarHBondContact N-O 3.4Å; Y239-S254 WeakPolarHBondContact CE2-O 3.15Å; Y239-D255 HydrophobicContact CE2-CB 4.26Å; Y239-D255 WeakPolarHBondContact OH-CA 3.39Å; Y239-D255 WeakPolarHBondContact OH-CB 3.46Å; Y239-A305 HydrophobicContact CD1-CB 3.93Å; Y239-A305 HydrophobicContact CD2-CB 4.38Å; Y239-A305 HydrophobicContact CE1-CB 3.76Å; Y239-A305 HydrophobicContact CE2-CB 4.22Å; Y239-A305 HydrophobicContact CG-CB 4.24Å; Y239-C306 VanDerWaalsContact CB-O 3.32Å; Y239-C306 WeakPolarHBondContact CB-O 3.45Å
240C96.5Very high95.3Very high15 Ų1538.4 Ų38.410%0.10121%0.21CC..EExtended strand (participates in β ladder)trans-150.7165172.5720000113.2A252 S253 I307 C308C240-A252 WeakPolarHBondContact O-CA 3.22Å; C240-S253 PolarHBondContact N-OG 2.69Å; C240-S253 PolarHBondContact O-N 3.17Å; C240-S253 PolarHBondContact SG-OG 3.41Å; C240-I307 HydrophobicContact CB-CG2 4.49Å; C240-I307 VanDerWaalsContact SG-CA 3.58Å; C240-C308 PolarHBondContact SG-N 2.81Å
241I98.4Very high95.4Very high5 Ų537.3 Ų37.33%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-131.1134.5167.9-64.8165.9000106.4C195 A197 A206 A208 I215 L238 L250 C251 A252C195-I241 HydrophobicContact CB-CD1 3.99Å; C195-I241 HydrophobicContact CB-CG1 4.44Å; A197-I241 HydrophobicContact CB-CB 4.13Å; A197-I241 HydrophobicContact CB-CG2 4.04Å; A197-I241 WeakPolarHBondContact CB-O 3.33Å; A206-I241 HydrophobicContact CB-CG2 3.95Å; A208-I241 HydrophobicContact CB-CD1 4Å; I215-I241 HydrophobicContact CG1-CD1 4.39Å; I215-I241 HydrophobicContact CG2-CD1 3.96Å; L238-I241 HydrophobicContact CD2-CD1 3.85Å; L238-I241 HydrophobicContact CD2-CG1 3.78Å; I241-L250 HydrophobicContact CG2-CD1 3.66Å; I241-L250 HydrophobicContact CG2-CD2 3.91Å; I241-L250 HydrophobicContact CG2-CG 3.79Å; I241-C251 WeakPolarHBondContact CA-O 3.13Å; I241-A252 HydrophobicContact CG1-CB 4.23Å
242N98.4Very high95.6Very high36 Ų3636.9 Ų36.919%0.19320%0.204CC..EExtended strand (participates in β ladder)trans-139.1140.4174.1-88.7-41000111.5L250 C251 C308N242-L250 CarbonylContact O-C 3.55Å; N242-L250 WeakPolarHBondContact O-CA 3.24Å; N242-C251 PolarHBondContact N-O 2.87Å; N242-C251 PolarHBondContact O-N 2.93Å; N242-C308 WeakPolarHBondContact CB-O 3.45Å; N242-C308 PolarHBondContact ND2-O 3.37Å
243F98.3Very high95.9Very high5 Ų536.5 Ų36.52%0.02220%0.2CC..EExtended strand (participates in β ladder)trans-82.4150.7169.7-69.1-93.7000110.2Q16 A197 N199 V204 A206 L217 L250 L264Q16-F243 PolarHBondContact NE2-O 2.79Å; A197-F243 HydrophobicContact CB-CD2 4.43Å; A197-F243 HydrophobicContact CB-CE2 4.24Å; N199-F243 HydrophobicContact CB-CB 4.11Å; N199-F243 HydrophobicContact CB-CD1 3.9Å; N199-F243 HydrophobicContact CB-CD2 3.85Å; N199-F243 HydrophobicContact CB-CE1 4.23Å; N199-F243 HydrophobicContact CB-CE2 4.2Å; N199-F243 HydrophobicContact CB-CG 3.68Å; N199-F243 HydrophobicContact CB-CZ 4.37Å; V204-F243 HydrophobicContact CB-CE1 4.38Å; V204-F243 HydrophobicContact CB-CZ 4.29Å; V204-F243 HydrophobicContact CG1-CE1 4.03Å; V204-F243 HydrophobicContact CG1-CZ 3.86Å; A206-F243 HydrophobicContact CB-CE2 3.73Å; A206-F243 HydrophobicContact CB-CZ 3.63Å; L217-F243 HydrophobicContact CD2-CE1 3.92Å; L217-F243 HydrophobicContact CD2-CZ 4.29Å; F243-L250 HydrophobicContact CD1-CD1 4.4Å; F243-L250 HydrophobicContact CE1-CD1 4.05Å; F243-L250 HydrophobicContact CE2-CD1 4.46Å; F243-L250 HydrophobicContact CZ-CD1 4.08Å; F243-L264 HydrophobicContact CD1-CD1 3.58Å; F243-L264 HydrophobicContact CE1-CD1 3.55Å
244S96.3Very high96.1Very high5 Ų532.4 Ų32.44%0.03518%0.175CC..  trans-65.9156.3161.165.60000109.8D246 S247 S248 F249 F310S244-D246 WeakPolarHBondContact CB-OD1 3.09Å; S244-D246 PolarHBondContact O-N 3.1Å; S244-D246 PolarHBondContact OG-OD1 3.46Å; S244-S247 WeakPolarHBondContact O-CA 3.42Å; S244-S247 PolarHBondContact O-N 3.31Å; S244-S247 PolarHBondContact OG-N 3.32Å; S244-S248 PolarHBondContact OG-N 2.75Å; S244-F249 PolarHBondContact N-O 3.38Å; S244-F249 PolarHBondContact OG-N 2.9Å; S244-F249 PolarHBondContact OG-O 3.22Å; S244-F310 VanDerWaalsContact N-CD2 3.25Å; S244-F310 VanDerWaalsContact N-CE2 3.34Å
245H92.4Very high96.3Very high128 Ų12829.6 Ų29.659%0.59316%0.16SC*.THydrogen-bonded Turntrans-57.2-36.3-175.3-162.681.5000112.8S247H245-S247 VanDerWaalsContact C-N 3.33Å
246D92.6Very high96.2Very high88 Ų8830.6 Ų30.647%0.47116%0.156SC..THydrogen-bonded Turntrans-87.53.8176.871.3-18.2000114.1S244 S248S244-D246 WeakPolarHBondContact CB-OD1 3.09Å; S244-D246 PolarHBondContact O-N 3.1Å; S244-D246 PolarHBondContact OG-OD1 3.46Å; D246-S248 PolarHBondContact O-N 2.83Å; D246-S248 VanDerWaalsContact O-N 3.14Å; D246-S248 VanDerWaalsContact OD1-CB 3.31Å; D246-S248 WeakPolarHBondContact OD1-CB 3.39Å; D246-S248 PolarHBondContact OD1-N 2.81Å; D246-S248 PolarHBondContact OD1-OG 3.34Å; D246-S248 WeakPolarHBondContact OD2-CB 3.39Å; D246-S248 PolarHBondContact OD2-OG 2.9Å
247S95.3Very high96.1Very high32 Ų3230.5 Ų30.522%0.22416%0.156CC..SBendtrans57.317.4-173.8-51.40000115N199 S244 H245 F249N199-S247 WeakPolarHBondContact CB-OG 3.23Å; N199-S247 PolarHBondContact ND2-OG 2.88Å; S244-S247 WeakPolarHBondContact O-CA 3.42Å; S244-S247 PolarHBondContact O-N 3.31Å; S244-S247 PolarHBondContact OG-N 3.32Å; H245-S247 VanDerWaalsContact C-N 3.33Å; S247-F249 VanDerWaalsContact C-N 3.32Å
248S94.8Very high96.1Very high14 Ų1429.6 Ų29.610%0.09815%0.15CC..SBendtrans-72.6-25.5176.4-67.80000113S244 D246 L264 K265S244-S248 PolarHBondContact OG-N 2.75Å; D246-S248 PolarHBondContact O-N 2.83Å; D246-S248 VanDerWaalsContact O-N 3.14Å; D246-S248 VanDerWaalsContact OD1-CB 3.31Å; D246-S248 WeakPolarHBondContact OD1-CB 3.39Å; D246-S248 PolarHBondContact OD1-N 2.81Å; D246-S248 PolarHBondContact OD1-OG 3.34Å; D246-S248 WeakPolarHBondContact OD2-CB 3.39Å; D246-S248 PolarHBondContact OD2-OG 2.9Å; S248-L264 PolarHBondContact O-N 2.85Å; S248-K265 PolarHBondContact O-N 3.46Å
249F97.2Very high96.2Very high18 Ų1829.3 Ų29.38%0.07915%0.148CC..EExtended strand (participates in β ladder)trans-136.9162.7-177.3-57.5-81.8000112.5S244 S247 F262 A263 L295 F310 F335S244-F249 PolarHBondContact N-O 3.38Å; S244-F249 PolarHBondContact OG-N 2.9Å; S244-F249 PolarHBondContact OG-O 3.22Å; S247-F249 VanDerWaalsContact C-N 3.32Å; F249-F262 CarbonylContact C-O 3.51Å; F249-F262 WeakPolarHBondContact CA-O 3.38Å; F249-A263 HydrophobicContact CD1-CB 4.08Å; F249-A263 HydrophobicContact CE1-CB 3.97Å; F249-L295 HydrophobicContact CE1-CD2 4.03Å; F249-F310 HydrophobicContact CB-CD1 4.48Å; F249-F310 HydrophobicContact CB-CE1 3.51Å; F249-F310 HydrophobicContact CB-CE2 4.22Å; F249-F310 HydrophobicContact CB-CZ 3.36Å; F249-F310 HydrophobicContact CG-CE1 4.27Å; F249-F335 AromaticContact CD1-CE2 3.89Å; F249-F335 HydrophobicContact CD1-CE2 3.89Å; F249-F335 HydrophobicContact CD1-CZ 4.1Å; F249-F335 HydrophobicContact CD2-CZ 4.12Å; F249-F335 AromaticContact CE1-CE2 3.76Å; F249-F335 HydrophobicContact CE1-CE2 3.76Å; F249-F335 HydrophobicContact CE1-CZ 4.3Å; F249-F335 HydrophobicContact CE2-CE2 4.37Å; F249-F335 HydrophobicContact CE2-CZ 4.3Å; F249-F335 HydrophobicContact CG-CE2 4.28Å; F249-F335 HydrophobicContact CG-CZ 4.03Å; F249-F335 HydrophobicContact CZ-CE2 4.01Å; F249-F335 HydrophobicContact CZ-CZ 4.39Å
250L98.5Very high96.3Very high0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-135.7134.8171.9178.5151.2000109.7A206 I215 L217 L229 I241 N242 F243 A252 F262 L264A206-L250 HydrophobicContact CB-CD1 3.84Å; I215-L250 HydrophobicContact CD1-CD2 4.18Å; I215-L250 HydrophobicContact CG2-CD2 4.49Å; L217-L250 HydrophobicContact CD1-CD1 4.25Å; L217-L250 HydrophobicContact CD2-CD1 4.37Å; L217-L250 HydrophobicContact CG-CD1 4.47Å; L229-L250 HydrophobicContact CD1-CD2 4.16Å; I241-L250 HydrophobicContact CG2-CD1 3.66Å; I241-L250 HydrophobicContact CG2-CD2 3.91Å; I241-L250 HydrophobicContact CG2-CG 3.79Å; N242-L250 CarbonylContact O-C 3.55Å; N242-L250 WeakPolarHBondContact O-CA 3.24Å; F243-L250 HydrophobicContact CD1-CD1 4.4Å; F243-L250 HydrophobicContact CE1-CD1 4.05Å; F243-L250 HydrophobicContact CE2-CD1 4.46Å; F243-L250 HydrophobicContact CZ-CD1 4.08Å; L250-A252 HydrophobicContact CD2-CB 4.48Å; L250-F262 HydrophobicContact CD2-CD2 3.78Å; L250-F262 HydrophobicContact CD2-CE2 4.33Å; L250-F262 PolarHBondContact N-O 2.88Å; L250-F262 PolarHBondContact O-N 3.36Å; L250-L264 HydrophobicContact CB-CD1 3.9Å; L250-L264 HydrophobicContact CB-CD2 4.08Å; L250-L264 HydrophobicContact CB-CG 4.08Å
251C98.6Very high96.4Very high0 Ų025.9 Ų25.90%013%0.133CC..EExtended strand (participates in β ladder)trans-112148.8173.464.20000110.6I241 N242 H260 F310 V321I241-C251 WeakPolarHBondContact CA-O 3.13Å; N242-C251 PolarHBondContact N-O 2.87Å; N242-C251 PolarHBondContact O-N 2.93Å; C251-H260 CarbonylContact C-O 3.54Å; C251-H260 WeakPolarHBondContact CA-O 3.47Å; C251-F310 HydrophobicContact CB-CE2 3.81Å; C251-F310 HydrophobicContact CB-CZ 3.84Å; C251-V321 HydrophobicContact CB-CG1 4.15Å
252A98.5Very high96.4Very high1 Ų125.6 Ų25.61%0.00813%0.132CC..EExtended strand (participates in β ladder)trans-145.8131.4176.100000111.4I215 L238 C240 I241 L250 V259 H260I215-A252 HydrophobicContact CD1-CB 3.51Å; L238-A252 HydrophobicContact CD2-CB 4.22Å; C240-A252 WeakPolarHBondContact O-CA 3.22Å; I241-A252 HydrophobicContact CG1-CB 4.23Å; L250-A252 HydrophobicContact CD2-CB 4.48Å; A252-V259 WeakPolarHBondContact O-CA 3.38Å; A252-H260 PolarHBondContact N-O 2.9Å; A252-H260 PolarHBondContact O-N 2.81Å
253S97.7Very high96.3Very high0 Ų024 Ų240%012%0.123CC..EExtended strand (participates in β ladder)trans-104.8153.8174.461.70000111.3L238 Y239 C240 C306L238-S253 WeakPolarHBondContact CA-O 3.31Å; Y239-S253 PolarHBondContact N-O 3.4Å; C240-S253 PolarHBondContact N-OG 2.69Å; C240-S253 PolarHBondContact O-N 3.17Å; C240-S253 PolarHBondContact SG-OG 3.41Å; S253-C306 WeakPolarHBondContact CB-SG 3.42Å; S253-C306 PolarHBondContact OG-O 3.29Å
254S95.8Very high96.1Very high2 Ų225 Ų251%0.01413%0.129CC..EExtended strand (participates in β ladder)trans-153.1170.3179.168.30000113.2T237 Y239 K256 G257T237-S254 CarbonylContact O-C 3.58Å; T237-S254 WeakPolarHBondContact O-CA 3.25Å; T237-S254 WeakPolarHBondContact O-CB 3.33Å; Y239-S254 WeakPolarHBondContact CE2-O 3.15Å; S254-K256 PolarHBondContact O-N 2.9Å; S254-G257 PolarHBondContact O-N 3.36Å; S254-G257 VanDerWaalsContact O-N 3.15Å
255D94.8Very high95.9Very high47 Ų4733.2 Ų33.225%0.25116%0.164SC..THydrogen-bonded Turntrans-60.1-8.3175.162.64.9000114.9A236 T237 Y239 G257A236-D255 VanDerWaalsContact CA-OD1 3.29Å; A236-D255 WeakPolarHBondContact CA-OD1 3.31Å; A236-D255 VanDerWaalsContact CB-OD1 3.3Å; A236-D255 WeakPolarHBondContact CB-OD1 3.38Å; T237-D255 WeakPolarHBondContact CB-OD2 3.33Å; T237-D255 PolarHBondContact N-OD1 3.39Å; T237-D255 PolarHBondContact N-OD2 2.68Å; T237-D255 PolarHBondContact O-N 2.95Å; T237-D255 PolarHBondContact OG1-OD2 2.94Å; Y239-D255 HydrophobicContact CE2-CB 4.26Å; Y239-D255 WeakPolarHBondContact OH-CA 3.39Å; Y239-D255 WeakPolarHBondContact OH-CB 3.46Å; D255-G257 PolarHBondContact O-N 3.37Å
256K94.4Very high96Very high105 Ų10530.6 Ų30.646%0.45716%0.155SC..THydrogen-bonded Turntrans-77.5-1173.1-59.9-58.3-179.5-175.80114.2P235 A236 S254 T258P235-K256 WeakPolarHBondContact O-CE 3.42Å; P235-K256 PolarHBondContact O-NZ 2.87Å; A236-K256 HydrophobicContact CB-CD 4.48Å; A236-K256 HydrophobicContact CB-CG 3.67Å; S254-K256 PolarHBondContact O-N 2.9Å; K256-T258 PolarHBondContact O-N 3.18Å
257G93.5Very high95.9Very high3 Ų328.3 Ų28.33%0.03114%0.144CC..SBendtrans67.619.4-177.700000113S254 D255 T299 V300S254-G257 PolarHBondContact O-N 3.36Å; S254-G257 VanDerWaalsContact O-N 3.15Å; D255-G257 PolarHBondContact O-N 3.37Å; G257-T299 CarbonylContact O-C 3.5Å; G257-T299 VanDerWaalsContact O-CA 3.23Å; G257-T299 WeakPolarHBondContact O-CA 3.39Å; G257-V300 PolarHBondContact O-N 2.73Å
258T94.3Very high95.7Very high35 Ų3535.2 Ų35.222%0.21517%0.17CC..EExtended strand (participates in β ladder)trans-118.3133.717757.10000110.5K256 H260 F298 T299K256-T258 PolarHBondContact O-N 3.18Å; T258-H260 PolarHBondContact OG1-NE2 2.87Å; T258-F298 WeakPolarHBondContact CA-O 3.32Å; T258-T299 HydrophobicContact CG2-CG2 4.27Å
259V97.8Very high95.7Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-100.6122.7166.9-179.80000107.9A252 S297 F298 V300 C308 V321 A323A252-V259 WeakPolarHBondContact O-CA 3.38Å; V259-S297 WeakPolarHBondContact O-CA 3.31Å; V259-S297 WeakPolarHBondContact O-CB 3.35Å; V259-F298 HydrophobicContact CB-CD1 4.17Å; V259-F298 HydrophobicContact CB-CD2 4.27Å; V259-F298 HydrophobicContact CB-CE1 3.69Å; V259-F298 HydrophobicContact CB-CE2 3.81Å; V259-F298 HydrophobicContact CB-CG 4.45Å; V259-F298 HydrophobicContact CB-CZ 3.51Å; V259-F298 HydrophobicContact CG1-CD1 4.47Å; V259-F298 HydrophobicContact CG1-CE1 3.65Å; V259-F298 HydrophobicContact CG1-CE2 4.41Å; V259-F298 HydrophobicContact CG1-CZ 3.62Å; V259-F298 HydrophobicContact CG2-CD2 4.47Å; V259-F298 HydrophobicContact CG2-CE1 4.47Å; V259-F298 HydrophobicContact CG2-CE2 3.77Å; V259-F298 HydrophobicContact CG2-CZ 3.78Å; V259-F298 PolarHBondContact N-O 2.75Å; V259-F298 PolarHBondContact O-N 2.82Å; V259-F298 VanDerWaalsContact O-N 3.11Å; V259-V300 HydrophobicContact CG2-CG1 4.17Å; V259-C308 HydrophobicContact CG1-CB 3.98Å; V259-C308 HydrophobicContact CG2-CB 4.48Å; V259-V321 HydrophobicContact CG1-CG1 4.16Å; V259-A323 HydrophobicContact CG2-CB 4.25Å
260H98.2Very high95.6Very high19 Ų1936.4 Ų36.49%0.08818%0.176CC..EExtended strand (participates in β ladder)trans-101139.9179.5-69.5-90.5000110.7R231 C251 A252 T258 F262 S294R231-H260 PolarHBondContact O-CE1 2.88Å; R231-H260 PolarHBondContact O-NE2 2.75Å; C251-H260 CarbonylContact C-O 3.54Å; C251-H260 WeakPolarHBondContact CA-O 3.47Å; A252-H260 PolarHBondContact N-O 2.9Å; A252-H260 PolarHBondContact O-N 2.81Å; T258-H260 PolarHBondContact OG1-NE2 2.87Å; H260-F262 HydrophobicContact CB-CD2 4.4Å; H260-F262 HydrophobicContact CB-CE2 3.53Å; H260-F262 HydrophobicContact CB-CZ 3.76Å; H260-S294 PolarHBondContact ND1-OG 3.4Å; H260-S294 VanDerWaalsContact ND1-OG 3.1Å
261I98.4Very high95.2Very high0 Ų043.2 Ų43.20%020%0.201CC..EExtended strand (participates in β ladder)trans-120.5124.5178.6-49.8172.5000108.4S294 L295 A296 F298 F310 V321 F335I261-S294 CarbonylContact O-C 3.57Å; I261-S294 WeakPolarHBondContact O-CA 3.44Å; I261-S294 VanDerWaalsContact O-CB 3.32Å; I261-S294 WeakPolarHBondContact O-CB 3.4Å; I261-L295 PolarHBondContact O-N 3.06Å; I261-A296 HydrophobicContact CB-CB 4.29Å; I261-A296 HydrophobicContact CD1-CB 4.16Å; I261-A296 PolarHBondContact N-O 2.81Å; I261-A296 PolarHBondContact O-N 2.82Å; I261-F298 HydrophobicContact CD1-CD1 4.33Å; I261-F298 HydrophobicContact CD1-CE1 4.27Å; I261-F310 HydrophobicContact CG2-CE1 4.22Å; I261-F310 HydrophobicContact CG2-CZ 4.35Å; I261-V321 HydrophobicContact CD1-CB 4.15Å; I261-V321 HydrophobicContact CD1-CG2 3.62Å; I261-V321 HydrophobicContact CG1-CG2 3.98Å; I261-F335 HydrophobicContact CD1-CB 4.21Å; I261-F335 HydrophobicContact CD1-CD1 3.76Å; I261-F335 HydrophobicContact CD1-CE1 4.28Å; I261-F335 HydrophobicContact CD1-CG 3.94Å; I261-F335 HydrophobicContact CG2-CD1 4.46Å; I261-F335 HydrophobicContact CG2-CD2 4.22Å; I261-F335 HydrophobicContact CG2-CE1 4.13Å; I261-F335 HydrophobicContact CG2-CE2 3.87Å; I261-F335 HydrophobicContact CG2-CG 4.49Å; I261-F335 HydrophobicContact CG2-CZ 3.81Å
262F98.3Very high94.6Very high0 Ų049.7 Ų49.70%023%0.226CC..EExtended strand (participates in β ladder)trans-118.8135-178.6-56-91000110.3I215 L229 R231 F249 L250 H260 S294I215-F262 HydrophobicContact CD1-CE2 4Å; I215-F262 HydrophobicContact CD1-CZ 4.47Å; L229-F262 HydrophobicContact CB-CD1 3.87Å; L229-F262 HydrophobicContact CB-CE1 3.87Å; L229-F262 HydrophobicContact CB-CG 4.31Å; L229-F262 HydrophobicContact CB-CZ 4.31Å; L229-F262 HydrophobicContact CD1-CB 3.75Å; L229-F262 HydrophobicContact CD1-CD1 4.07Å; L229-F262 HydrophobicContact CD1-CD2 4.03Å; L229-F262 HydrophobicContact CD1-CG 3.7Å; L229-F262 HydrophobicContact CD2-CB 4.1Å; L229-F262 HydrophobicContact CD2-CD1 3.89Å; L229-F262 HydrophobicContact CD2-CG 4.2Å; L229-F262 HydrophobicContact CG-CB 4.48Å; L229-F262 HydrophobicContact CG-CD1 4.16Å; L229-F262 HydrophobicContact CG-CG 4.29Å; R231-F262 HydrophobicContact CB-CZ 4.44Å; F249-F262 CarbonylContact C-O 3.51Å; F249-F262 WeakPolarHBondContact CA-O 3.38Å; L250-F262 HydrophobicContact CD2-CD2 3.78Å; L250-F262 HydrophobicContact CD2-CE2 4.33Å; L250-F262 PolarHBondContact N-O 2.88Å; L250-F262 PolarHBondContact O-N 3.36Å; H260-F262 HydrophobicContact CB-CD2 4.4Å; H260-F262 HydrophobicContact CB-CE2 3.53Å; H260-F262 HydrophobicContact CB-CZ 3.76Å; F262-S294 VanDerWaalsContact CE1-N 3.32Å
263A96.8Very high93.3Very high1 Ų150.7 Ų50.71%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-79.9129.8168.500000110.1F249 D266 L269 N270 L295F249-A263 HydrophobicContact CD1-CB 4.08Å; F249-A263 HydrophobicContact CE1-CB 3.97Å; A263-D266 VanDerWaalsContact CB-O 3.24Å; A263-D266 WeakPolarHBondContact CB-O 3.23Å; A263-L269 HydrophobicContact CB-CB 3.88Å; A263-L269 HydrophobicContact CB-CD1 4.19Å; A263-L269 HydrophobicContact CB-CG 4.49Å; A263-N270 PolarHBondContact N-OD1 2.88Å; A263-N270 PolarHBondContact O-ND2 3.44Å; A263-L295 HydrophobicContact CB-CD2 4.4Å
264L95.3Very high91.5Very high26 Ų2654.5 Ų54.514%0.13626%0.264CS..SBendtrans-104.6-40.7180-59.6-172.3000112.2L217 L229 F243 S248 L250 T267L217-L264 HydrophobicContact CD2-CD1 3.67Å; L217-L264 HydrophobicContact CD2-CD2 3.57Å; L217-L264 HydrophobicContact CD2-CG 4.23Å; L229-L264 HydrophobicContact CD1-CD2 3.97Å; F243-L264 HydrophobicContact CD1-CD1 3.58Å; F243-L264 HydrophobicContact CE1-CD1 3.55Å; S248-L264 PolarHBondContact O-N 2.85Å; L250-L264 HydrophobicContact CB-CD1 3.9Å; L250-L264 HydrophobicContact CB-CD2 4.08Å; L250-L264 HydrophobicContact CB-CG 4.08Å; L264-T267 WeakPolarHBondContact O-CG2 3.33Å
265K92.1Very high89.6Confident178 Ų17859 Ų5977%0.77429%0.288SS*.SBendtrans-78-47.5-178.5-170.4174.6-175.5176.40112.1S248S248-K265 PolarHBondContact O-N 3.46Å
266D92.6Very high87.6Confident74 Ų7458.9 Ų58.940%0.39629%0.293SS..SBendtrans-107.783.3170.2-169.4-0.7000110.8A263 K268 L269A263-D266 VanDerWaalsContact CB-O 3.24Å; A263-D266 WeakPolarHBondContact CB-O 3.23Å; D266-K268 PolarHBondContact O-N 2.59Å; D266-K268 VanDerWaalsContact OD1-CB 3.31Å; D266-K268 WeakPolarHBondContact OD1-CB 3.47Å; D266-K268 PolarHBondContact OD1-N 2.99Å; D266-L269 HydrophobicContact CB-CD1 4.03Å; D266-L269 HydrophobicContact CB-CG 4.04Å; D266-L269 WeakPolarHBondContact O-CB 3.11Å; D266-L269 WeakPolarHBondContact O-CG 3.47Å; D266-L269 PolarHBondContact O-N 2.77Å
267T91.9Very high85.4Confident39 Ų3965.2 Ų65.224%0.23931%0.314CS..THydrogen-bonded Turntrans-64.8-7.3179.756.90000114.2L264 L269 N270 Q292L264-T267 WeakPolarHBondContact O-CG2 3.33Å; T267-L269 VanDerWaalsContact C-N 3.28Å; T267-N270 PolarHBondContact O-N 3.32Å; T267-Q292 PolarHBondContact O-OE1 3.01Å
268K91.3Very high83.4Confident177 Ų17769.5 Ų69.577%0.7734%0.34SS*.THydrogen-bonded Turntrans-74.8-22175.2-59.6173.9-176.3171.90112D266 N270D266-K268 PolarHBondContact O-N 2.59Å; D266-K268 VanDerWaalsContact OD1-CB 3.31Å; D266-K268 WeakPolarHBondContact OD1-CB 3.47Å; D266-K268 PolarHBondContact OD1-N 2.99Å; K268-N270 VanDerWaalsContact C-N 3.25Å; K268-N270 PolarHBondContact O-N 3.13Å
269L93.4Very high81.3Confident52 Ų5270.5 Ų70.527%0.27236%0.357SS..SBendtrans-70.1-25.7175.8-55.7-179.4000111.7A263 D266 T267 L295 P337A263-L269 HydrophobicContact CB-CB 3.88Å; A263-L269 HydrophobicContact CB-CD1 4.19Å; A263-L269 HydrophobicContact CB-CG 4.49Å; D266-L269 HydrophobicContact CB-CD1 4.03Å; D266-L269 HydrophobicContact CB-CG 4.04Å; D266-L269 WeakPolarHBondContact O-CB 3.11Å; D266-L269 WeakPolarHBondContact O-CG 3.47Å; D266-L269 PolarHBondContact O-N 2.77Å; T267-L269 VanDerWaalsContact C-N 3.28Å; L269-L295 HydrophobicContact CB-CD1 4.1Å; L269-L295 HydrophobicContact CB-CD2 4.25Å; L269-L295 WeakPolarHBondContact O-CD1 3.36Å; L269-P337 HydrophobicContact CD1-CB 4.14Å; L269-P337 HydrophobicContact CD2-CB 4.19Å
270N94.9Very high79Confident5 Ų579.3 Ų79.33%0.02740%0.395CS..SBendtrans-68.4138.8176.7-71.8-27.4000111.5A263 T267 K268 Q292 W293A263-N270 PolarHBondContact N-OD1 2.88Å; A263-N270 PolarHBondContact O-ND2 3.44Å; T267-N270 PolarHBondContact O-N 3.32Å; K268-N270 VanDerWaalsContact C-N 3.25Å; K268-N270 PolarHBondContact O-N 3.13Å; N270-Q292 HydrophobicContact CB-CB 4.03Å; N270-Q292 PolarHBondContact ND2-OE1 2.81Å; N270-W293 VanDerWaalsContact CB-O 3.25Å; N270-W293 WeakPolarHBondContact CB-O 3.18Å
271R91.3Very high76.4Confident143 Ų14383.4 Ų83.454%0.5442%0.421SS..EExtended strand (participates in β ladder)trans-63.4141.8174.3-62175.6-168.2-1761.3109.3W293 S294 L295R271-W293 HydrophobicContact CB-CB 3.96Å; R271-W293 PolarHBondContact N-O 2.89Å; R271-W293 WeakPolarHBondContact O-CB 3.26Å; R271-W293 PolarHBondContact O-N 3.03Å; R271-S294 WeakPolarHBondContact CD-O 3.18Å; R271-L295 PolarHBondContact NE-O 2.89Å
272R85.4Confident74Confident136 Ų13685.6 Ų85.651%0.51344%0.443SS..EExtended strand (participates in β ladder)trans-122.8149.7175.1-63.9-174.6-178.8-143.4-0.5109.4A274R272-A274 PolarHBondContact O-N 2.9Å
273S71.7Confident71.7Confident23 Ų2392.1 Ų92.116%0.16149%0.486CS..  trans-59.5136.8177.2-176.80000110.3L275 A276S273-L275 PolarHBondContact O-N 3.18Å; S273-L275 PolarHBondContact OG-N 3.41Å; S273-A276 WeakPolarHBondContact O-CB 3.42Å; S273-A276 PolarHBondContact O-N 2.86Å
274A59.3Low69.2Low80 Ų8098.5 Ų98.566%0.66153%0.525SS*.G310 helixtrans-59.1-26.8175.200000112.2R272 A276 R277R272-A274 PolarHBondContact O-N 2.9Å; A274-A276 PolarHBondContact O-N 2.99Å; A274-R277 PolarHBondContact O-N 2.9Å; A274-R277 VanDerWaalsContact O-N 3.11Å
275L55.7Low67Low97 Ų97101.6 Ų101.651%0.50854%0.54SS..G310 helixtrans-66.6-11.3173.9-64.9171.3000113.3S273 R277 V278 V289S273-L275 PolarHBondContact O-N 3.18Å; S273-L275 PolarHBondContact OG-N 3.41Å; L275-R277 PolarHBondContact O-N 3.34Å; L275-V278 PolarHBondContact O-N 3.48Å; L275-V289 HydrophobicContact CB-CG2 4.37Å
276A52.9Low64.6Low43 Ų4394.2 Ų94.236%0.35551%0.514SS..G310 helixtrans-70.6-19.2170.500000113.9S273 A274 V289S273-A276 WeakPolarHBondContact O-CB 3.42Å; S273-A276 PolarHBondContact O-N 2.86Å; A274-A276 PolarHBondContact O-N 2.99Å; A276-V289 HydrophobicContact CB-CG1 3.58Å
277R49Very low62.5Low238 Ų23897.7 Ų97.790%0.89853%0.528SS*.SBendtrans-86.7-17.3175.2-66.9-175.2170157.9-2113.1A274 L275A274-R277 PolarHBondContact O-N 2.9Å; A274-R277 VanDerWaalsContact O-N 3.11Å; L275-R277 PolarHBondContact O-N 3.34Å
278V51.2Low60.4Low94 Ų9499.9 Ų99.957%0.5753%0.533SS*.SBendtrans-98.898.3175.5-172.70000105.7L275L275-V278 PolarHBondContact O-N 3.48Å
279G49.3Very low58.6Low56 Ų5692.5 Ų92.558%0.57750%0.502SS*.  trans-46.1155.4-168.300000115.4V281G279-V281 VanDerWaalsContact O-CG2 3.23Å; G279-V281 WeakPolarHBondContact O-CG2 3.48Å; G279-V281 PolarHBondContact O-N 3.46Å
280K49.2Very low57.2Low184 Ų18495.1 Ų95.180%0.852%0.517SS*.  trans-34.296.8-176.7-67.5-179.9178.6178.70114
281V45.2Very low56.1Low106 Ų10695 Ų9564%0.64252%0.516SS*.  trans-96.495166.9-161.50000108G279 I285G279-V281 VanDerWaalsContact O-CG2 3.23Å; G279-V281 WeakPolarHBondContact O-CG2 3.48Å; G279-V281 PolarHBondContact O-N 3.46Å; V281-I285 WeakPolarHBondContact O-CD1 3.25Å
282G48.3Very low56.1Low45 Ų4589.1 Ų89.146%0.46450%0.495SS..SBendtrans91.7160.5167.300000117.6V284G282-V284 PolarHBondContact O-N 3.25Å
283P48.3Very low56.5Low138 Ų13885.4 Ų85.490%0.89648%0.481SS*.THydrogen-bonded Turntrans-74.8-18.8-165.4-13.529.1000114.8
284V45.6Very low57.6Low135 Ų13584.7 Ų84.782%0.81848%0.476SS*.THydrogen-bonded Turntrans-98.5-16.2-171.3-174.20000112.4G282G282-V284 PolarHBondContact O-N 3.25Å
285I48.9Very low59.4Low91 Ų9181 Ų8147%0.46745%0.445SS..THydrogen-bonded Turntrans-90.4-17.2-174.4-68.2168000112.3V281 Q287 Y288 V289V281-I285 WeakPolarHBondContact O-CD1 3.25Å; I285-Q287 PolarHBondContact O-N 3.47Å; I285-Y288 PolarHBondContact O-N 2.94Å; I285-V289 HydrophobicContact CG2-CG2 3.52Å; I285-V289 VanDerWaalsContact O-CG2 3.31Å; I285-V289 WeakPolarHBondContact O-CG2 3.34Å; I285-V289 PolarHBondContact O-N 2.99Å
286G40.8Very low61.3Low22 Ų2276.4 Ų76.423%0.22742%0.421CS..Hα-helixtrans-57.8-42.4-171.900000115.9V289 D290G286-V289 PolarHBondContact O-N 3.09Å; G286-D290 PolarHBondContact O-N 2.86Å
287Q49Very low63.4Low147 Ų14776.8 Ų76.869%0.68742%0.421SS*.Hα-helixtrans-74.1-29.6-176.9-67.6-176.5-500113.5I285 V289 S291I285-Q287 PolarHBondContact O-N 3.47Å; Q287-V289 VanDerWaalsContact C-N 3.34Å; Q287-S291 PolarHBondContact O-OG 2.85Å
288Y48.8Very low65.7Low86 Ų8665.9 Ų65.934%0.33738%0.38SS..Hα-helixtrans-71.1-35177.6-175.5-98.6000111.6R230 I285 S291R230-Y288 VanDerWaalsContact CZ-CD2 3.42Å; I285-Y288 PolarHBondContact O-N 2.94Å; Y288-S291 WeakPolarHBondContact O-CB 2.99Å; Y288-S291 PolarHBondContact O-N 3.21Å; Y288-S291 PolarHBondContact O-OG 3.48Å
289V52.5Low67.8Low21 Ų2166 Ų6613%0.12738%0.381CS..Hα-helixtrans-76.8-29.3-176.2176.30000112.5L275 A276 I285 G286 Q287 S291L275-V289 HydrophobicContact CB-CG2 4.37Å; A276-V289 HydrophobicContact CB-CG1 3.58Å; I285-V289 HydrophobicContact CG2-CG2 3.52Å; I285-V289 VanDerWaalsContact O-CG2 3.31Å; I285-V289 WeakPolarHBondContact O-CG2 3.34Å; I285-V289 PolarHBondContact O-N 2.99Å; G286-V289 PolarHBondContact O-N 3.09Å; Q287-V289 VanDerWaalsContact C-N 3.34Å; V289-S291 VanDerWaalsContact C-N 3.31Å
290D63.5Low69.9Low108 Ų10863.9 Ų63.958%0.57836%0.357SS*.THydrogen-bonded Turntrans-83.3-5175.5-67.6-29.7000113.7G286G286-D290 PolarHBondContact O-N 2.86Å
291S72.9Confident71.7Confident1 Ų157.4 Ų57.41%0.00733%0.334CS..PPolyproline II helixtrans-71.7132.7-176.5-62.70000112.6R230 Q287 Y288 V289R230-S291 VanDerWaalsContact NE-CB 3.28Å; R230-S291 PolarHBondContact NE-OG 3.16Å; R230-S291 PolarHBondContact NH2-OG 3.18Å; Q287-S291 PolarHBondContact O-OG 2.85Å; Y288-S291 WeakPolarHBondContact O-CB 2.99Å; Y288-S291 PolarHBondContact O-N 3.21Å; Y288-S291 PolarHBondContact O-OG 3.48Å; V289-S291 VanDerWaalsContact C-N 3.31Å
292Q89.8Confident73.2Confident21 Ų2156 Ų5610%0.09833%0.333CS..EExtended strand (participates in β ladder)trans-92.3124.1177-60.7-178.544.400110.7L229 R230 T267 N270L229-Q292 CarbonylContact C-O 3.48Å; L229-Q292 WeakPolarHBondContact CA-O 3.18Å; L229-Q292 HydrophobicContact CD2-CB 4.15Å; R230-Q292 PolarHBondContact N-O 2.83Å; T267-Q292 PolarHBondContact O-OE1 3.01Å; N270-Q292 HydrophobicContact CB-CB 4.03Å; N270-Q292 PolarHBondContact ND2-OE1 2.81Å
293W94Very high74.6Confident58 Ų5862.2 Ų62.222%0.2235%0.35CS..EExtended strand (participates in β ladder)trans-91.5165.1176.4-65.975.6000111R230 N270 R271 L295R230-W293 HydrophobicContact CB-CD2 4.29Å; R230-W293 HydrophobicContact CB-CG 4.46Å; R230-W293 HydrophobicContact CG-CD2 4.06Å; R230-W293 HydrophobicContact CG-CE3 4.21Å; R230-W293 HydrophobicContact CG-CH2 4.12Å; R230-W293 HydrophobicContact CG-CZ2 3.95Å; R230-W293 HydrophobicContact CG-CZ3 4.25Å; N270-W293 VanDerWaalsContact CB-O 3.25Å; N270-W293 WeakPolarHBondContact CB-O 3.18Å; R271-W293 HydrophobicContact CB-CB 3.96Å; R271-W293 PolarHBondContact N-O 2.89Å; R271-W293 WeakPolarHBondContact O-CB 3.26Å; R271-W293 PolarHBondContact O-N 3.03Å; W293-L295 PolarHBondContact O-N 2.93Å
294S95.6Very high76.4Confident8 Ų856.3 Ų56.36%0.05631%0.312CS..PPolyproline II helixtrans-58.4135.9-179.255.20000112.2H260 I261 F262 R271 A296H260-S294 PolarHBondContact ND1-OG 3.4Å; H260-S294 VanDerWaalsContact ND1-OG 3.1Å; I261-S294 CarbonylContact O-C 3.57Å; I261-S294 WeakPolarHBondContact O-CA 3.44Å; I261-S294 VanDerWaalsContact O-CB 3.32Å; I261-S294 WeakPolarHBondContact O-CB 3.4Å; F262-S294 VanDerWaalsContact CE1-N 3.32Å; R271-S294 WeakPolarHBondContact CD-O 3.18Å; S294-A296 WeakPolarHBondContact CB-O 3.43Å
295L96.3Very high78.7Confident3 Ų351.3 Ų51.32%0.01629%0.285CS..SBendtrans-57.2-52169.3160.760.2000109.8F249 I261 A263 L269 R271 W293 F335 P337F249-L295 HydrophobicContact CE1-CD2 4.03Å; I261-L295 PolarHBondContact O-N 3.06Å; A263-L295 HydrophobicContact CB-CD2 4.4Å; L269-L295 HydrophobicContact CB-CD1 4.1Å; L269-L295 HydrophobicContact CB-CD2 4.25Å; L269-L295 WeakPolarHBondContact O-CD1 3.36Å; R271-L295 PolarHBondContact NE-O 2.89Å; W293-L295 PolarHBondContact O-N 2.93Å; L295-F335 HydrophobicContact CD2-CD2 4.28Å; L295-F335 HydrophobicContact CD2-CE2 4.31Å; L295-P337 WeakPolarHBondContact CD1-O 3.42Å
296A96.7Very high81Confident0 Ų047.1 Ų47.10%026%0.263CS..EExtended strand (participates in β ladder)trans-137.6160.4-176.800000110.4I261 S294 F335 C341I261-A296 HydrophobicContact CB-CB 4.29Å; I261-A296 HydrophobicContact CD1-CB 4.16Å; I261-A296 PolarHBondContact N-O 2.81Å; I261-A296 PolarHBondContact O-N 2.82Å; S294-A296 WeakPolarHBondContact CB-O 3.43Å; A296-F335 HydrophobicContact CB-CB 4.2Å; A296-C341 HydrophobicContact CB-CB 4.04Å
297S96.9Very high83.7Confident50 Ų5047.2 Ų47.235%0.3526%0.258SS..EExtended strand (participates in β ladder)trans-155.8152.7173.857.10000110.2V259V259-S297 WeakPolarHBondContact O-CA 3.31Å; V259-S297 WeakPolarHBondContact O-CB 3.35Å
298F96.9Very high86Confident10 Ų1040.2 Ų40.24%0.04423%0.226CC..EExtended strand (participates in β ladder)trans-137.4164.3170.662.4-88.7000110.3T258 V259 I261 V300 V321 A323 Y333T258-F298 WeakPolarHBondContact CA-O 3.32Å; V259-F298 HydrophobicContact CB-CD1 4.17Å; V259-F298 HydrophobicContact CB-CD2 4.27Å; V259-F298 HydrophobicContact CB-CE1 3.69Å; V259-F298 HydrophobicContact CB-CE2 3.81Å; V259-F298 HydrophobicContact CB-CG 4.45Å; V259-F298 HydrophobicContact CB-CZ 3.51Å; V259-F298 HydrophobicContact CG1-CD1 4.47Å; V259-F298 HydrophobicContact CG1-CE1 3.65Å; V259-F298 HydrophobicContact CG1-CE2 4.41Å; V259-F298 HydrophobicContact CG1-CZ 3.62Å; V259-F298 HydrophobicContact CG2-CD2 4.47Å; V259-F298 HydrophobicContact CG2-CE1 4.47Å; V259-F298 HydrophobicContact CG2-CE2 3.77Å; V259-F298 HydrophobicContact CG2-CZ 3.78Å; V259-F298 PolarHBondContact N-O 2.75Å; V259-F298 PolarHBondContact O-N 2.82Å; V259-F298 VanDerWaalsContact O-N 3.11Å; I261-F298 HydrophobicContact CD1-CD1 4.33Å; I261-F298 HydrophobicContact CD1-CE1 4.27Å; F298-V300 HydrophobicContact CD2-CG1 4.23Å; F298-V300 HydrophobicContact CE2-CG1 3.87Å; F298-V321 HydrophobicContact CE1-CB 3.97Å; F298-V321 HydrophobicContact CE1-CG1 3.79Å; F298-V321 HydrophobicContact CZ-CB 4.42Å; F298-V321 HydrophobicContact CZ-CG1 3.93Å; F298-A323 HydrophobicContact CE2-CB 3.94Å; F298-A323 HydrophobicContact CZ-CB 4.09Å; F298-Y333 HydrophobicContact CB-CD1 3.52Å; F298-Y333 HydrophobicContact CB-CD2 4.34Å; F298-Y333 HydrophobicContact CB-CE1 3.49Å; F298-Y333 VanDerWaalsContact CB-CE1 3.49Å; F298-Y333 HydrophobicContact CB-CE2 4.32Å; F298-Y333 HydrophobicContact CB-CG 3.97Å; F298-Y333 HydrophobicContact CD1-CD1 4.19Å; F298-Y333 HydrophobicContact CD1-CD2 4.26Å; F298-Y333 AromaticContact CD1-CG 3.86Å; F298-Y333 HydrophobicContact CD1-CG 3.86Å; F298-Y333 HydrophobicContact CD2-CD1 4.24Å; F298-Y333 AromaticContact CD2-CD2 3.48Å; F298-Y333 HydrophobicContact CD2-CD2 3.48Å; F298-Y333 VanDerWaalsContact CD2-CD2 3.48Å; F298-Y333 HydrophobicContact CD2-CE1 4.27Å; F298-Y333 AromaticContact CD2-CE2 3.53Å; F298-Y333 HydrophobicContact CD2-CE2 3.53Å; F298-Y333 AromaticContact CD2-CG 3.87Å; F298-Y333 HydrophobicContact CD2-CG 3.87Å; F298-Y333 AromaticContact CD2-CZ 3.93Å; F298-Y333 HydrophobicContact CE1-CD2 4.44Å; F298-Y333 HydrophobicContact CE1-CG 4.28Å; F298-Y333 AromaticContact CE2-CD2 3.69Å; F298-Y333 HydrophobicContact CE2-CD2 3.69Å; F298-Y333 HydrophobicContact CE2-CE2 4.01Å; F298-Y333 HydrophobicContact CE2-CG 4.28Å; F298-Y333 AromaticContact CG-CD1 3.75Å; F298-Y333 HydrophobicContact CG-CD1 3.75Å; F298-Y333 AromaticContact CG-CD2 3.78Å; F298-Y333 HydrophobicContact CG-CD2 3.78Å; F298-Y333 HydrophobicContact CG-CE1 4.01Å; F298-Y333 HydrophobicContact CG-CE2 4.05Å; F298-Y333 AromaticContact CG-CG 3.63Å; F298-Y333 HydrophobicContact CG-CG 3.63Å; F298-Y333 HydrophobicContact CZ-CD2 4.17Å; F298-Y333 HydrophobicContact CZ-CG 4.46Å
299T95.5Very high88.4Confident95 Ų9536.2 Ų36.258%0.58321%0.21SC*.EExtended strand (participates in β ladder)trans-102.7140.5-178.153.50000111.2G257 T258G257-T299 CarbonylContact O-C 3.5Å; G257-T299 VanDerWaalsContact O-CA 3.23Å; G257-T299 WeakPolarHBondContact O-CA 3.39Å; T258-T299 HydrophobicContact CG2-CG2 4.27Å
300V93.3Very high90.4Very high12 Ų1235.9 Ų35.97%0.07321%0.207CC..  trans-116168.7167.7-66.20000108.2G257 V259 F298 A302 A323G257-V300 PolarHBondContact O-N 2.73Å; V259-V300 HydrophobicContact CG2-CG1 4.17Å; F298-V300 HydrophobicContact CD2-CG1 4.23Å; F298-V300 HydrophobicContact CE2-CG1 3.87Å; V300-A302 PolarHBondContact O-N 2.84Å; V300-A302 VanDerWaalsContact O-N 3.16Å; V300-A323 HydrophobicContact CG1-CB 3.87Å
301P86.8Confident91.8Very high49 Ų4931.2 Ų31.232%0.31818%0.184SC..  trans-48.5124.8175-29.637.7000111.7C304P301-C304 HydrophobicContact CB-CB 4.04Å; P301-C304 WeakPolarHBondContact O-CB 3.36Å; P301-C304 PolarHBondContact O-N 2.83Å
302A76.4Confident92.3Very high75 Ų7537.1 Ų37.162%0.6221%0.21SC*.THydrogen-bonded Turntrans-63.3148.4-178.200000110.7V300 C304V300-A302 PolarHBondContact O-N 2.84Å; V300-A302 VanDerWaalsContact O-N 3.16Å; A302-C304 PolarHBondContact O-N 2.82Å
303E77.4Confident91.6Very high176 Ų17640 Ų4082%0.82223%0.226SC*.THydrogen-bonded Turntrans59.36.7-178.3-53.5-177.1167.800114.9
304C87.5Confident90.2Very high15 Ų1542.7 Ų42.710%0.10125%0.249CC..  trans-92121.5169.4-172.70000109.6P301 A302 C306 D327P301-C304 HydrophobicContact CB-CB 4.04Å; P301-C304 WeakPolarHBondContact O-CB 3.36Å; P301-C304 PolarHBondContact O-N 2.83Å; A302-C304 PolarHBondContact O-N 2.82Å; C304-C306 PolarHBondContact O-N 2.72Å; C304-D327 VanDerWaalsContact SG-CG 3.6Å; C304-D327 PolarHBondContact SG-N 2.8Å
305A93.2Very high88.8Confident30 Ų3045.2 Ų45.225%0.24827%0.267CS..  trans-62.1137.4172.500000110.3Y239 C325 V326Y239-A305 HydrophobicContact CD1-CB 3.93Å; Y239-A305 HydrophobicContact CD2-CB 4.38Å; Y239-A305 HydrophobicContact CE1-CB 3.76Å; Y239-A305 HydrophobicContact CE2-CB 4.22Å; Y239-A305 HydrophobicContact CG-CB 4.24Å; A305-C325 WeakPolarHBondContact O-CA 3.34Å; A305-V326 HydrophobicContact CB-CG1 4.01Å; A305-V326 HydrophobicContact CB-CG2 3.99Å; A305-V326 WeakPolarHBondContact O-CG2 3.42Å; A305-V326 PolarHBondContact O-N 3.44Å
306C96.3Very high87.2Confident3 Ų355 Ų552%0.0231%0.309CS..EExtended strand (participates in β ladder)trans-144.9147.2175.373.50000111.9Y239 S253 C304 I324 C325Y239-C306 VanDerWaalsContact CB-O 3.32Å; Y239-C306 WeakPolarHBondContact CB-O 3.45Å; S253-C306 WeakPolarHBondContact CB-SG 3.42Å; S253-C306 PolarHBondContact OG-O 3.29Å; C304-C306 PolarHBondContact O-N 2.72Å; C306-I324 CarbonylContact C-O 3.59Å; C306-I324 WeakPolarHBondContact CA-O 3.31Å; C306-I324 VanDerWaalsContact CB-O 3.26Å; C306-I324 WeakPolarHBondContact CB-O 3.25Å; C306-C325 HydrophobicContact CB-CB 4.12Å; C306-C325 WeakPolarHBondContact CB-SG 3.3Å
307I97.9Very high85.7Confident24 Ų2461 Ų6112%0.12334%0.341CS..EExtended strand (participates in β ladder)trans-96.3143.9166.160.1173.4000108.9L10 F12 C240 A323 I324L10-I307 HydrophobicContact CB-CD1 3.61Å; L10-I307 HydrophobicContact CB-CG1 3.99Å; L10-I307 HydrophobicContact CB-CG2 4.35Å; F12-I307 HydrophobicContact CD2-CB 4.22Å; F12-I307 HydrophobicContact CD2-CD1 3.54Å; F12-I307 HydrophobicContact CD2-CG1 4Å; F12-I307 HydrophobicContact CE2-CB 3.9Å; F12-I307 HydrophobicContact CE2-CD1 3.56Å; F12-I307 HydrophobicContact CE2-CG1 3.55Å; F12-I307 HydrophobicContact CG-CD1 4.12Å; F12-I307 HydrophobicContact CZ-CD1 4.19Å; F12-I307 HydrophobicContact CZ-CG1 4.21Å; C240-I307 HydrophobicContact CB-CG2 4.49Å; C240-I307 VanDerWaalsContact SG-CA 3.58Å; I307-A323 CarbonylContact O-C 3.45Å; I307-A323 WeakPolarHBondContact O-CA 3.37Å; I307-I324 HydrophobicContact CD1-CD1 4.46Å; I307-I324 HydrophobicContact CG1-CB 3.94Å; I307-I324 PolarHBondContact N-O 2.79Å; I307-I324 PolarHBondContact O-N 2.88Å
308C98.4Very high84.6Confident0 Ų061.2 Ų61.20%034%0.34CS..EExtended strand (participates in β ladder)trans-129.4144.7176.665.50000111.9C240 N242 V259 V321 I322 A323C240-C308 PolarHBondContact SG-N 2.81Å; N242-C308 WeakPolarHBondContact CB-O 3.45Å; N242-C308 PolarHBondContact ND2-O 3.37Å; V259-C308 HydrophobicContact CG1-CB 3.98Å; V259-C308 HydrophobicContact CG2-CB 4.48Å; C308-V321 HydrophobicContact CB-CG1 4.38Å; C308-I322 CarbonylContact C-O 3.5Å; C308-I322 WeakPolarHBondContact CA-O 3.4Å; C308-I322 WeakPolarHBondContact CB-O 3.49Å; C308-A323 HydrophobicContact CB-CB 4.46Å
309A97.8Very high84.3Confident1 Ų161.6 Ų61.61%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-150.1169.2179.700000110.6F12 Q16 V321 I322F12-A309 HydrophobicContact CD1-CB 4.19Å; F12-A309 HydrophobicContact CD2-CB 3.68Å; F12-A309 HydrophobicContact CE1-CB 3.91Å; F12-A309 HydrophobicContact CE2-CB 3.39Å; F12-A309 HydrophobicContact CG-CB 4.09Å; F12-A309 HydrophobicContact CZ-CB 3.52Å; Q16-A309 HydrophobicContact CB-CB 3.89Å; Q16-A309 HydrophobicContact CG-CB 3.84Å; A309-V321 WeakPolarHBondContact O-CA 3.35Å; A309-I322 PolarHBondContact N-O 3.01Å; A309-I322 PolarHBondContact O-N 2.9Å
310F96.2Very high84.3Confident15 Ų1557.4 Ų57.47%0.06632%0.317CS..EExtended strand (participates in β ladder)trans-89.3135.5176.6-69.1-90.5000110Q16 S244 F249 C251 I261 S320 V321 F335Q16-F310 VanDerWaalsContact OE1-N 3.15Å; S244-F310 VanDerWaalsContact N-CD2 3.25Å; S244-F310 VanDerWaalsContact N-CE2 3.34Å; F249-F310 HydrophobicContact CB-CD1 4.48Å; F249-F310 HydrophobicContact CB-CE1 3.51Å; F249-F310 HydrophobicContact CB-CE2 4.22Å; F249-F310 HydrophobicContact CB-CZ 3.36Å; F249-F310 HydrophobicContact CG-CE1 4.27Å; C251-F310 HydrophobicContact CB-CE2 3.81Å; C251-F310 HydrophobicContact CB-CZ 3.84Å; I261-F310 HydrophobicContact CG2-CE1 4.22Å; I261-F310 HydrophobicContact CG2-CZ 4.35Å; F310-S320 WeakPolarHBondContact CA-O 3.46Å; F310-V321 HydrophobicContact CD1-CG2 3.65Å; F310-V321 HydrophobicContact CE1-CG2 3.5Å; F310-V321 HydrophobicContact CG-CG2 4.44Å; F310-V321 HydrophobicContact CZ-CG2 4.21Å; F310-F335 HydrophobicContact CD1-CE1 4.19Å; F310-F335 HydrophobicContact CD1-CZ 4.39Å; F310-F335 AromaticContact CE1-CE1 3.9Å; F310-F335 HydrophobicContact CE1-CE1 3.9Å; F310-F335 AromaticContact CE1-CZ 3.86Å; F310-F335 HydrophobicContact CE1-CZ 3.86Å
311G92.3Very high84.5Confident9 Ų956.8 Ų56.89%0.09331%0.314CS..PPolyproline II helixtrans-70.2169.3169.900000111.4E33 N313 S320E33-G311 WeakPolarHBondContact OE2-CA 3.23Å; G311-N313 PolarHBondContact O-N 3.35Å; G311-S320 WeakPolarHBondContact CA-OG 3.39Å; G311-S320 PolarHBondContact N-O 3.4Å
312K83.9Confident85Confident126 Ų12654.5 Ų54.555%0.54830%0.299SS..PPolyproline II helixtrans-70.8128.1174.1-71.4-175.1179.5178.80108.7E33 T314E33-K312 PolarHBondContact OE2-N 3.14Å; K312-T314 PolarHBondContact O-N 2.78Å
313N74.1Confident86Confident82 Ų8251 Ų5144%0.43927%0.269SS..  trans-63102175-79.7-7.2000109.9G311 S315 V318 N319G311-N313 PolarHBondContact O-N 3.35Å; N313-S315 VanDerWaalsContact C-N 3.32Å; N313-V318 PolarHBondContact OD1-O 3Å; N313-N319 PolarHBondContact ND2-OD1 2.77Å; N313-N319 VanDerWaalsContact ND2-OD1 3.1Å; N313-N319 PolarHBondContact OD1-OD1 2.85Å
314T64.6Low87Confident114 Ų11442.6 Ų42.670%0.69923%0.23SC*.SBendtrans-78.8-18.617749.60000112.2K312K312-T314 PolarHBondContact O-N 2.78Å
315S66Low87.5Confident61 Ų6141.9 Ų41.943%0.42723%0.225SC..BIsolated β-bridgetrans-146.9152.2178.3176.10000111.1N313 N317 V318N313-S315 VanDerWaalsContact C-N 3.32Å; S315-N317 PolarHBondContact O-N 2.88Å; S315-V318 PolarHBondContact O-N 2.96Å
316K62.6Low87.6Confident207 Ų20742.6 Ų42.690%0.923%0.227SC*.THydrogen-bonded Turntrans-56.6-20.7-176.5-74.6-175.7177.2178.40114.6
317N65.1Low87.5Confident126 Ų12644 Ų4467%0.67423%0.234SC*.THydrogen-bonded Turntrans-122.82.4-173.8-65-25.9000114.4S315S315-N317 PolarHBondContact O-N 2.88Å
318V74.4Confident87.3Confident56 Ų5642.9 Ų42.934%0.33923%0.228SC..BIsolated β-bridgetrans-115.7110.1-179-176.20000107.8N313 S315 V334N313-V318 PolarHBondContact OD1-O 3Å; S315-V318 PolarHBondContact O-N 2.96Å; V318-V334 HydrophobicContact CG1-CB 4.12Å; V318-V334 HydrophobicContact CG1-CG1 3.6Å
319N90.9Very high87.2Confident18 Ų1843.6 Ų43.610%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-104.2137.1171.3-58.5-80.2000107.8N313 V334 F335N313-N319 PolarHBondContact ND2-OD1 2.77Å; N313-N319 VanDerWaalsContact ND2-OD1 3.1Å; N313-N319 PolarHBondContact OD1-OD1 2.85Å; N319-V334 WeakPolarHBondContact O-CA 3.32Å; N319-F335 HydrophobicContact CB-CD1 3.96Å; N319-F335 HydrophobicContact CB-CD2 4.47Å; N319-F335 HydrophobicContact CB-CE1 3.27Å; N319-F335 HydrophobicContact CB-CE2 3.87Å; N319-F335 HydrophobicContact CB-CZ 3.23Å; N319-F335 VanDerWaalsContact O-CD1 3.25Å; N319-F335 WeakPolarHBondContact O-CD1 3.38Å; N319-F335 PolarHBondContact O-N 2.74Å
320S95.2Very high87.2Confident6 Ų643.7 Ų43.74%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-117.5147.5176.860.10000111.1F310 G311 Y333F310-S320 WeakPolarHBondContact CA-O 3.46Å; G311-S320 WeakPolarHBondContact CA-OG 3.39Å; G311-S320 PolarHBondContact N-O 3.4Å; S320-Y333 CarbonylContact C-O 3.55Å; S320-Y333 WeakPolarHBondContact CA-O 3.41Å
321V97.4Very high87.2Confident0 Ų043.4 Ų43.40%023%0.232CC..EExtended strand (participates in β ladder)trans-121.3136.5168.4177.60000108C251 V259 I261 F298 C308 A309 F310 Y333 F335C251-V321 HydrophobicContact CB-CG1 4.15Å; V259-V321 HydrophobicContact CG1-CG1 4.16Å; I261-V321 HydrophobicContact CD1-CB 4.15Å; I261-V321 HydrophobicContact CD1-CG2 3.62Å; I261-V321 HydrophobicContact CG1-CG2 3.98Å; F298-V321 HydrophobicContact CE1-CB 3.97Å; F298-V321 HydrophobicContact CE1-CG1 3.79Å; F298-V321 HydrophobicContact CZ-CB 4.42Å; F298-V321 HydrophobicContact CZ-CG1 3.93Å; C308-V321 HydrophobicContact CB-CG1 4.38Å; A309-V321 WeakPolarHBondContact O-CA 3.35Å; F310-V321 HydrophobicContact CD1-CG2 3.65Å; F310-V321 HydrophobicContact CE1-CG2 3.5Å; F310-V321 HydrophobicContact CG-CG2 4.44Å; F310-V321 HydrophobicContact CZ-CG2 4.21Å; V321-Y333 PolarHBondContact N-O 3.04Å; V321-Y333 PolarHBondContact O-N 2.85Å; V321-F335 HydrophobicContact CG2-CD1 4.01Å; V321-F335 HydrophobicContact CG2-CE1 3.68Å
322I97.8Very high87.4Confident1 Ų144.1 Ų44.11%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-112.6137-178.2-64169.3000107.3V32 E33 C308 A309 I324 F330 H331 K332V32-I322 HydrophobicContact CG1-CD1 3.14Å; V32-I322 HydrophobicContact CG1-CG1 4.38Å; V32-I322 HydrophobicContact CG1-CG2 4.27Å; E33-I322 HydrophobicContact CG-CD1 4.02Å; C308-I322 CarbonylContact C-O 3.5Å; C308-I322 WeakPolarHBondContact CA-O 3.4Å; C308-I322 WeakPolarHBondContact CB-O 3.49Å; A309-I322 PolarHBondContact N-O 3.01Å; A309-I322 PolarHBondContact O-N 2.9Å; I322-I324 HydrophobicContact CG2-CG1 4.1Å; I322-F330 HydrophobicContact CD1-CZ 4.29Å; I322-F330 HydrophobicContact CG1-CZ 4.34Å; I322-F330 HydrophobicContact CG2-CD2 4.02Å; I322-F330 HydrophobicContact CG2-CE1 4.49Å; I322-F330 HydrophobicContact CG2-CE2 3.32Å; I322-F330 HydrophobicContact CG2-CZ 3.6Å; I322-H331 CarbonylContact C-O 3.52Å; I322-H331 VanDerWaalsContact CA-O 3.25Å; I322-H331 WeakPolarHBondContact CA-O 2.9Å; I322-K332 HydrophobicContact CG1-CB 4.45Å; I322-K332 HydrophobicContact CG1-CG 4.09Å
323A98.1Very high88Confident0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans-124.8128.6171.700000109.9V259 F298 V300 I307 C308 H331V259-A323 HydrophobicContact CG2-CB 4.25Å; F298-A323 HydrophobicContact CE2-CB 3.94Å; F298-A323 HydrophobicContact CZ-CB 4.09Å; V300-A323 HydrophobicContact CG1-CB 3.87Å; I307-A323 CarbonylContact O-C 3.45Å; I307-A323 WeakPolarHBondContact O-CA 3.37Å; C308-A323 HydrophobicContact CB-CB 4.46Å; A323-H331 HydrophobicContact CB-CB 4.34Å; A323-H331 PolarHBondContact N-O 3.17Å; A323-H331 PolarHBondContact O-N 2.91Å
324I98Very high89.1Confident0 Ų037.2 Ų37.20%020%0.2CC..EExtended strand (participates in β ladder)trans-117.5117.3-179.2-50176.3000107L10 F12 F19 C306 I307 I322 F330 Y349L10-I324 HydrophobicContact CD1-CB 4.45Å; L10-I324 HydrophobicContact CD1-CG2 3.91Å; L10-I324 WeakPolarHBondContact CD1-O 3.41Å; L10-I324 HydrophobicContact CD2-CG2 4.12Å; F12-I324 HydrophobicContact CD1-CD1 4.36Å; F12-I324 HydrophobicContact CE1-CD1 3.42Å; F12-I324 VanDerWaalsContact CE1-CD1 3.42Å; F12-I324 HydrophobicContact CE1-CG1 4.36Å; F12-I324 HydrophobicContact CE2-CD1 4.37Å; F12-I324 HydrophobicContact CZ-CD1 3.42Å; F12-I324 VanDerWaalsContact CZ-CD1 3.42Å; F12-I324 HydrophobicContact CZ-CG1 3.91Å; F19-I324 HydrophobicContact CB-CD1 3.85Å; F19-I324 HydrophobicContact CD1-CD1 3.25Å; F19-I324 HydrophobicContact CD2-CD1 3.75Å; F19-I324 HydrophobicContact CD2-CG2 4.08Å; F19-I324 HydrophobicContact CE1-CD1 3.53Å; F19-I324 HydrophobicContact CE2-CD1 4.03Å; F19-I324 HydrophobicContact CE2-CG2 3.7Å; F19-I324 HydrophobicContact CG-CD1 3.34Å; F19-I324 HydrophobicContact CZ-CD1 3.92Å; F19-I324 HydrophobicContact CZ-CG2 4.02Å; C306-I324 CarbonylContact C-O 3.59Å; C306-I324 WeakPolarHBondContact CA-O 3.31Å; C306-I324 VanDerWaalsContact CB-O 3.26Å; C306-I324 WeakPolarHBondContact CB-O 3.25Å; I307-I324 HydrophobicContact CD1-CD1 4.46Å; I307-I324 HydrophobicContact CG1-CB 3.94Å; I307-I324 PolarHBondContact N-O 2.79Å; I307-I324 PolarHBondContact O-N 2.88Å; I322-I324 HydrophobicContact CG2-CG1 4.1Å; I324-F330 HydrophobicContact CG1-CD2 4.1Å; I324-Y349 HydrophobicContact CG2-CD1 3.97Å; I324-Y349 HydrophobicContact CG2-CE1 3.52Å
325C97.1Very high90.5Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-104.7144.5-169.8-590000110.6A305 C306 D327 G328 T329 Y349A305-C325 WeakPolarHBondContact O-CA 3.34Å; C306-C325 HydrophobicContact CB-CB 4.12Å; C306-C325 WeakPolarHBondContact CB-SG 3.3Å; C325-D327 WeakPolarHBondContact CB-OD1 3.38Å; C325-D327 PolarHBondContact O-N 3.33Å; C325-D327 VanDerWaalsContact O-N 3.1Å; C325-G328 PolarHBondContact O-N 3.18Å; C325-T329 WeakPolarHBondContact CB-OG1 2.83Å; C325-T329 PolarHBondContact N-O 3.44Å; C325-Y349 WeakPolarHBondContact O-CE1 3.41Å; C325-Y349 PolarHBondContact O-OH 3.44Å; C325-Y349 VanDerWaalsContact O-OH 3.14Å
326V95.6Very high91.8Very high46 Ų4631.2 Ų31.228%0.27916%0.161SC..THydrogen-bonded Turntrans-65.7-11.5179.3-61.10000113.5V7 L10 A305 G328V7-V326 HydrophobicContact CB-CB 4.31Å; V7-V326 WeakPolarHBondContact CB-O 3.42Å; V7-V326 HydrophobicContact CG1-CB 4.21Å; V7-V326 HydrophobicContact CG1-CG1 4.25Å; V7-V326 WeakPolarHBondContact CG2-O 3.29Å; L10-V326 HydrophobicContact CD1-CG1 3.85Å; L10-V326 HydrophobicContact CG-CG1 4.4Å; A305-V326 HydrophobicContact CB-CG1 4.01Å; A305-V326 HydrophobicContact CB-CG2 3.99Å; A305-V326 WeakPolarHBondContact O-CG2 3.42Å; A305-V326 PolarHBondContact O-N 3.44Å; V326-G328 PolarHBondContact O-N 3.42Å
327D93.9Very high93Very high32 Ų3224.7 Ų24.717%0.17114%0.14CC..THydrogen-bonded Turntrans-78.61.6171.470.2-6.2000113.6R5 C304 C325 T329R5-D327 VanDerWaalsContact CD-O 3.3Å; R5-D327 WeakPolarHBondContact CD-O 3.34Å; C304-D327 VanDerWaalsContact SG-CG 3.6Å; C304-D327 PolarHBondContact SG-N 2.8Å; C325-D327 WeakPolarHBondContact CB-OD1 3.38Å; C325-D327 PolarHBondContact O-N 3.33Å; C325-D327 VanDerWaalsContact O-N 3.1Å; D327-T329 WeakPolarHBondContact OD1-CB 3.3Å; D327-T329 WeakPolarHBondContact OD1-CG2 3.09Å; D327-T329 PolarHBondContact OD1-N 3.37Å; D327-T329 PolarHBondContact OD1-OG1 3.11Å
328G94.9Very high94.2Very high0 Ų024 Ų240%014%0.136CC..SBendtrans92.51.9-179.100000114.4C325 V326 V348 Y349C325-G328 PolarHBondContact O-N 3.18Å; V326-G328 PolarHBondContact O-N 3.42Å; G328-V348 CarbonylContact O-C 3.54Å; G328-V348 WeakPolarHBondContact O-CA 3.14Å; G328-V348 WeakPolarHBondContact O-CG1 3.45Å; G328-Y349 WeakPolarHBondContact O-CD1 3.43Å; G328-Y349 WeakPolarHBondContact O-CE1 3.27Å; G328-Y349 PolarHBondContact O-N 3.14Å
329T95.6Very high95Very high15 Ų1522 Ų229%0.09213%0.126CC..EExtended strand (participates in β ladder)trans-91.7141.2-177.964.90000113.3C325 D327 H331 F346C325-T329 WeakPolarHBondContact CB-OG1 2.83Å; C325-T329 PolarHBondContact N-O 3.44Å; D327-T329 WeakPolarHBondContact OD1-CB 3.3Å; D327-T329 WeakPolarHBondContact OD1-CG2 3.09Å; D327-T329 PolarHBondContact OD1-N 3.37Å; D327-T329 PolarHBondContact OD1-OG1 3.11Å; T329-H331 WeakPolarHBondContact CB-NE2 3.39Å; T329-H331 PolarHBondContact OG1-NE2 3.2Å; T329-F346 HydrophobicContact CG2-CE2 4Å; T329-F346 HydrophobicContact CG2-CZ 3.97Å
330F97Very high95Very high4 Ų425.1 Ų25.12%0.01814%0.143CC..EExtended strand (participates in β ladder)trans-114.4132.5174.5176.6-85.5000109.1V32 L35 I322 I324 K332 F346 D347 Y349V32-F330 HydrophobicContact CG1-CE2 4.46Å; L35-F330 HydrophobicContact CB-CE1 4.5Å; L35-F330 HydrophobicContact CB-CZ 4.38Å; L35-F330 HydrophobicContact CD1-CD2 3.77Å; L35-F330 HydrophobicContact CD1-CE2 3.89Å; L35-F330 HydrophobicContact CD1-CG 4.31Å; L35-F330 HydrophobicContact CD2-CB 3.82Å; L35-F330 HydrophobicContact CD2-CD1 3.78Å; L35-F330 HydrophobicContact CD2-CD2 3.93Å; L35-F330 HydrophobicContact CD2-CE1 4.28Å; L35-F330 HydrophobicContact CD2-CE2 4.4Å; L35-F330 HydrophobicContact CD2-CG 3.59Å; L35-F330 HydrophobicContact CG-CD2 4.39Å; L35-F330 HydrophobicContact CG-CG 4.49Å; I322-F330 HydrophobicContact CD1-CZ 4.29Å; I322-F330 HydrophobicContact CG1-CZ 4.34Å; I322-F330 HydrophobicContact CG2-CD2 4.02Å; I322-F330 HydrophobicContact CG2-CE1 4.49Å; I322-F330 HydrophobicContact CG2-CE2 3.32Å; I322-F330 HydrophobicContact CG2-CZ 3.6Å; I324-F330 HydrophobicContact CG1-CD2 4.1Å; F330-K332 HydrophobicContact CE1-CB 4.02Å; F330-F346 WeakPolarHBondContact O-CA 3.4Å; F330-D347 HydrophobicContact CB-CB 4.31Å; F330-D347 HydrophobicContact CD1-CB 4.49Å; F330-D347 PolarHBondContact N-O 2.93Å; F330-D347 PolarHBondContact O-N 3.49Å; F330-Y349 HydrophobicContact CB-CD1 4.3Å
331H97.2Very high95.1Very high9 Ų926.1 Ų26.14%0.04215%0.149CC..EExtended strand (participates in β ladder)trans-130.6128.4-178.7-59.2-105.6000109.5I322 A323 T329 Y333 F346I322-H331 CarbonylContact C-O 3.52Å; I322-H331 VanDerWaalsContact CA-O 3.25Å; I322-H331 WeakPolarHBondContact CA-O 2.9Å; A323-H331 HydrophobicContact CB-CB 4.34Å; A323-H331 PolarHBondContact N-O 3.17Å; A323-H331 PolarHBondContact O-N 2.91Å; T329-H331 WeakPolarHBondContact CB-NE2 3.39Å; T329-H331 PolarHBondContact OG1-NE2 3.2Å; H331-Y333 HydrophobicContact CB-CD2 4.27Å; H331-Y333 HydrophobicContact CB-CE2 4.03Å; H331-F346 AromaticContact CE1-CD2 3.5Å; H331-F346 AromaticContact CE1-CE2 3.44Å; H331-F346 VanDerWaalsContact CE1-CE2 3.44Å; H331-F346 WeakPolarHBondContact CE1-CE2 3.44Å; H331-F346 AromaticContact ND1-CD2 3.62Å; H331-F346 AromaticContact NE2-CE2 3.79Å
332K96.5Very high95Very high23 Ų2331 Ų3110%0.118%0.175CC..EExtended strand (participates in β ladder)trans-117.5126.2171.9-172.3-175.3-172.7-163.50109.6E33 I322 F330 E344 A345E33-K332 WeakPolarHBondContact OE1-CE 3.25Å; E33-K332 IonicContact OE1-NZ 3.88Å; E33-K332 PolarHBondContact OE1-NZ 2.83Å; I322-K332 HydrophobicContact CG1-CB 4.45Å; I322-K332 HydrophobicContact CG1-CG 4.09Å; F330-K332 HydrophobicContact CE1-CB 4.02Å; K332-E344 HydrophobicContact CD-CB 4.31Å; K332-E344 HydrophobicContact CD-CG 4.33Å; K332-E344 WeakPolarHBondContact CD-OE2 3.18Å; K332-E344 WeakPolarHBondContact CE-OE2 3.45Å; K332-E344 HydrophobicContact CG-CB 4.29Å; K332-E344 VanDerWaalsContact NZ-CD 3.25Å; K332-E344 IonicContact NZ-OE1 2.77Å; K332-E344 PolarHBondContact NZ-OE1 3.49Å; K332-E344 IonicContact NZ-OE2 3Å; K332-E344 PolarHBondContact NZ-OE2 3.06Å; K332-E344 PolarHBondContact O-N 2.61Å; K332-A345 HydrophobicContact CB-CB 3.88Å; K332-A345 HydrophobicContact CD-CB 4.37Å; K332-A345 PolarHBondContact N-O 2.77Å; K332-A345 PolarHBondContact O-N 3.48Å
333Y96.9Very high94.9Very high29 Ų2938 Ų3811%0.11420%0.202CC..EExtended strand (participates in β ladder)trans-123.6133.2178.1-81.2-106.3000110.3F298 S320 V321 H331 N342 R343F298-Y333 HydrophobicContact CB-CD1 3.52Å; F298-Y333 HydrophobicContact CB-CD2 4.34Å; F298-Y333 HydrophobicContact CB-CE1 3.49Å; F298-Y333 VanDerWaalsContact CB-CE1 3.49Å; F298-Y333 HydrophobicContact CB-CE2 4.32Å; F298-Y333 HydrophobicContact CB-CG 3.97Å; F298-Y333 HydrophobicContact CD1-CD1 4.19Å; F298-Y333 HydrophobicContact CD1-CD2 4.26Å; F298-Y333 AromaticContact CD1-CG 3.86Å; F298-Y333 HydrophobicContact CD1-CG 3.86Å; F298-Y333 HydrophobicContact CD2-CD1 4.24Å; F298-Y333 AromaticContact CD2-CD2 3.48Å; F298-Y333 HydrophobicContact CD2-CD2 3.48Å; F298-Y333 VanDerWaalsContact CD2-CD2 3.48Å; F298-Y333 HydrophobicContact CD2-CE1 4.27Å; F298-Y333 AromaticContact CD2-CE2 3.53Å; F298-Y333 HydrophobicContact CD2-CE2 3.53Å; F298-Y333 AromaticContact CD2-CG 3.87Å; F298-Y333 HydrophobicContact CD2-CG 3.87Å; F298-Y333 AromaticContact CD2-CZ 3.93Å; F298-Y333 HydrophobicContact CE1-CD2 4.44Å; F298-Y333 HydrophobicContact CE1-CG 4.28Å; F298-Y333 AromaticContact CE2-CD2 3.69Å; F298-Y333 HydrophobicContact CE2-CD2 3.69Å; F298-Y333 HydrophobicContact CE2-CE2 4.01Å; F298-Y333 HydrophobicContact CE2-CG 4.28Å; F298-Y333 AromaticContact CG-CD1 3.75Å; F298-Y333 HydrophobicContact CG-CD1 3.75Å; F298-Y333 AromaticContact CG-CD2 3.78Å; F298-Y333 HydrophobicContact CG-CD2 3.78Å; F298-Y333 HydrophobicContact CG-CE1 4.01Å; F298-Y333 HydrophobicContact CG-CE2 4.05Å; F298-Y333 AromaticContact CG-CG 3.63Å; F298-Y333 HydrophobicContact CG-CG 3.63Å; F298-Y333 HydrophobicContact CZ-CD2 4.17Å; F298-Y333 HydrophobicContact CZ-CG 4.46Å; S320-Y333 CarbonylContact C-O 3.55Å; S320-Y333 WeakPolarHBondContact CA-O 3.41Å; V321-Y333 PolarHBondContact N-O 3.04Å; V321-Y333 PolarHBondContact O-N 2.85Å; H331-Y333 HydrophobicContact CB-CD2 4.27Å; H331-Y333 HydrophobicContact CB-CE2 4.03Å; Y333-N342 CarbonylContact C-O 3.18Å; Y333-N342 VanDerWaalsContact CA-O 3.26Å; Y333-N342 WeakPolarHBondContact CA-O 3.17Å; Y333-N342 VanDerWaalsContact CD1-C 3.43Å; Y333-R343 HydrophobicContact CD1-CB 4.13Å; Y333-R343 HydrophobicContact CD2-CB 4.46Å; Y333-R343 HydrophobicContact CD2-CG 4.28Å; Y333-R343 HydrophobicContact CE1-CB 3.65Å; Y333-R343 HydrophobicContact CE1-CG 4.34Å; Y333-R343 HydrophobicContact CE2-CB 4.02Å; Y333-R343 HydrophobicContact CE2-CG 3.76Å
334V95.7Very high94.7Very high34 Ų3442.8 Ų42.821%0.20622%0.224CC..EExtended strand (participates in β ladder)trans-93.1140.6168.6-70.80000109.7V318 N319 C341 N342 E344V318-V334 HydrophobicContact CG1-CB 4.12Å; V318-V334 HydrophobicContact CG1-CG1 3.6Å; N319-V334 WeakPolarHBondContact O-CA 3.32Å; V334-C341 CarbonylContact O-C 3.47Å; V334-C341 VanDerWaalsContact O-CA 3.3Å; V334-C341 WeakPolarHBondContact O-CA 3.31Å; V334-N342 HydrophobicContact CG2-CB 4.31Å; V334-N342 PolarHBondContact N-O 3.05Å; V334-N342 PolarHBondContact O-N 2.99Å; V334-E344 HydrophobicContact CG1-CB 4.09Å; V334-E344 HydrophobicContact CG1-CG 4.3Å; V334-E344 WeakPolarHBondContact CG1-OE2 3.42Å; V334-E344 HydrophobicContact CG2-CB 4.48Å
335F94.7Very high94.5Very high2 Ų244.2 Ų44.21%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-132.6151.5176.372-83000111.9F249 I261 L295 A296 F310 N319 V321 N340 C341F249-F335 AromaticContact CD1-CE2 3.89Å; F249-F335 HydrophobicContact CD1-CE2 3.89Å; F249-F335 HydrophobicContact CD1-CZ 4.1Å; F249-F335 HydrophobicContact CD2-CZ 4.12Å; F249-F335 AromaticContact CE1-CE2 3.76Å; F249-F335 HydrophobicContact CE1-CE2 3.76Å; F249-F335 HydrophobicContact CE1-CZ 4.3Å; F249-F335 HydrophobicContact CE2-CE2 4.37Å; F249-F335 HydrophobicContact CE2-CZ 4.3Å; F249-F335 HydrophobicContact CG-CE2 4.28Å; F249-F335 HydrophobicContact CG-CZ 4.03Å; F249-F335 HydrophobicContact CZ-CE2 4.01Å; F249-F335 HydrophobicContact CZ-CZ 4.39Å; I261-F335 HydrophobicContact CD1-CB 4.21Å; I261-F335 HydrophobicContact CD1-CD1 3.76Å; I261-F335 HydrophobicContact CD1-CE1 4.28Å; I261-F335 HydrophobicContact CD1-CG 3.94Å; I261-F335 HydrophobicContact CG2-CD1 4.46Å; I261-F335 HydrophobicContact CG2-CD2 4.22Å; I261-F335 HydrophobicContact CG2-CE1 4.13Å; I261-F335 HydrophobicContact CG2-CE2 3.87Å; I261-F335 HydrophobicContact CG2-CG 4.49Å; I261-F335 HydrophobicContact CG2-CZ 3.81Å; L295-F335 HydrophobicContact CD2-CD2 4.28Å; L295-F335 HydrophobicContact CD2-CE2 4.31Å; A296-F335 HydrophobicContact CB-CB 4.2Å; F310-F335 HydrophobicContact CD1-CE1 4.19Å; F310-F335 HydrophobicContact CD1-CZ 4.39Å; F310-F335 AromaticContact CE1-CE1 3.9Å; F310-F335 HydrophobicContact CE1-CE1 3.9Å; F310-F335 AromaticContact CE1-CZ 3.86Å; F310-F335 HydrophobicContact CE1-CZ 3.86Å; N319-F335 HydrophobicContact CB-CD1 3.96Å; N319-F335 HydrophobicContact CB-CD2 4.47Å; N319-F335 HydrophobicContact CB-CE1 3.27Å; N319-F335 HydrophobicContact CB-CE2 3.87Å; N319-F335 HydrophobicContact CB-CZ 3.23Å; N319-F335 VanDerWaalsContact O-CD1 3.25Å; N319-F335 WeakPolarHBondContact O-CD1 3.38Å; N319-F335 PolarHBondContact O-N 2.74Å; V321-F335 HydrophobicContact CG2-CD1 4.01Å; V321-F335 HydrophobicContact CG2-CE1 3.68Å; F335-N340 WeakPolarHBondContact CA-O 3.19Å; F335-N340 WeakPolarHBondContact CB-O 3.21Å; F335-C341 HydrophobicContact CB-CB 4.29Å
336T92.4Very high94.5Very high48 Ų4848.4 Ų48.429%0.29425%0.254SS..  trans-119.6158.5-177.348.10000111.1D338 G339 N340T336-D338 WeakPolarHBondContact CB-OD1 3.19Å; T336-D338 PolarHBondContact O-N 3.49Å; T336-D338 VanDerWaalsContact O-N 3.14Å; T336-D338 PolarHBondContact OG1-OD1 3.49Å; T336-G339 PolarHBondContact O-N 3.48Å; T336-N340 PolarHBondContact N-O 2.93Å; T336-N340 WeakPolarHBondContact OG1-CB 3.24Å
337P89.1Confident94.5Very high70 Ų7049.5 Ų49.546%0.45526%0.259SS..THydrogen-bonded Turntrans-60.8-20-177.8-26.836.3000115.7L269 L295 G339L269-P337 HydrophobicContact CD1-CB 4.14Å; L269-P337 HydrophobicContact CD2-CB 4.19Å; L295-P337 WeakPolarHBondContact CD1-O 3.42Å; P337-G339 PolarHBondContact O-N 2.78Å
338D89.5Confident94.6Very high112 Ų11249.8 Ų49.860%0.59926%0.262SS*.THydrogen-bonded Turntrans-80.1-2.7173.664.4-23.4000113.3T336 N340T336-D338 WeakPolarHBondContact CB-OD1 3.19Å; T336-D338 PolarHBondContact O-N 3.49Å; T336-D338 VanDerWaalsContact O-N 3.14Å; T336-D338 PolarHBondContact OG1-OD1 3.49Å; D338-N340 PolarHBondContact OD1-ND2 3.33Å; D338-N340 PolarHBondContact OD2-ND2 3.14Å
339G90.8Very high94.5Very high12 Ų1249.8 Ų49.812%0.12426%0.262CS..SBendtrans92.56.9173.700000114.8T336 P337T336-G339 PolarHBondContact O-N 3.48Å; P337-G339 PolarHBondContact O-N 2.78Å
340N92.7Very high94.4Very high85 Ų8550.3 Ų50.346%0.45526%0.264SS..  trans-68.6142.8169.1-60.5-40000109.9F335 T336 D338F335-N340 WeakPolarHBondContact CA-O 3.19Å; F335-N340 WeakPolarHBondContact CB-O 3.21Å; T336-N340 PolarHBondContact N-O 2.93Å; T336-N340 WeakPolarHBondContact OG1-CB 3.24Å; D338-N340 PolarHBondContact OD1-ND2 3.33Å; D338-N340 PolarHBondContact OD2-ND2 3.14Å
341C95.4Very high94.1Very high26 Ų2654.4 Ų54.418%0.17629%0.286CS..EExtended strand (participates in β ladder)trans-144.5111.9179.8-166.70000109.2A296 V334 F335A296-C341 HydrophobicContact CB-CB 4.04Å; V334-C341 CarbonylContact O-C 3.47Å; V334-C341 VanDerWaalsContact O-CA 3.3Å; V334-C341 WeakPolarHBondContact O-CA 3.31Å; F335-C341 HydrophobicContact CB-CB 4.29Å
342N95.4Very high93.6Very high102 Ų10256.2 Ų56.255%0.54530%0.295SS..EExtended strand (participates in β ladder)trans-122.9141.7-172.5-63.9-52.9000110.1Y333 V334 E344Y333-N342 CarbonylContact C-O 3.18Å; Y333-N342 VanDerWaalsContact CA-O 3.26Å; Y333-N342 WeakPolarHBondContact CA-O 3.17Å; Y333-N342 VanDerWaalsContact CD1-C 3.43Å; V334-N342 HydrophobicContact CG2-CB 4.31Å; V334-N342 PolarHBondContact N-O 3.05Å; V334-N342 PolarHBondContact O-N 2.99Å; N342-E344 PolarHBondContact O-N 3.43Å
343R96Very high92Very high149 Ų14960 Ų6056%0.56232%0.323SS*.EExtended strand (participates in β ladder)trans-69.2123.6175.3-166.8170.567179.4-0.4109.3Y333Y333-R343 HydrophobicContact CD1-CB 4.13Å; Y333-R343 HydrophobicContact CD2-CB 4.46Å; Y333-R343 HydrophobicContact CD2-CG 4.28Å; Y333-R343 HydrophobicContact CE1-CB 3.65Å; Y333-R343 HydrophobicContact CE1-CG 4.34Å; Y333-R343 HydrophobicContact CE2-CB 4.02Å; Y333-R343 HydrophobicContact CE2-CG 3.76Å
344E94.7Very high90Very high100 Ų10062.3 Ų62.347%0.46734%0.338SS..EExtended strand (participates in β ladder)trans-95.3-42.9175.6-173.1-172.217400110.8K332 V334 N342K332-E344 HydrophobicContact CD-CB 4.31Å; K332-E344 HydrophobicContact CD-CG 4.33Å; K332-E344 WeakPolarHBondContact CD-OE2 3.18Å; K332-E344 WeakPolarHBondContact CE-OE2 3.45Å; K332-E344 HydrophobicContact CG-CB 4.29Å; K332-E344 VanDerWaalsContact NZ-CD 3.25Å; K332-E344 IonicContact NZ-OE1 2.77Å; K332-E344 PolarHBondContact NZ-OE1 3.49Å; K332-E344 IonicContact NZ-OE2 3Å; K332-E344 PolarHBondContact NZ-OE2 3.06Å; K332-E344 PolarHBondContact O-N 2.61Å; V334-E344 HydrophobicContact CG1-CB 4.09Å; V334-E344 HydrophobicContact CG1-CG 4.3Å; V334-E344 WeakPolarHBondContact CG1-OE2 3.42Å; V334-E344 HydrophobicContact CG2-CB 4.48Å; N342-E344 PolarHBondContact O-N 3.43Å
345A94.3Very high87.5Confident30 Ų3067.7 Ų67.725%0.24837%0.365CS..EExtended strand (participates in β ladder)trans-143153.6179.100000112K332K332-A345 HydrophobicContact CB-CB 3.88Å; K332-A345 HydrophobicContact CD-CB 4.37Å; K332-A345 PolarHBondContact N-O 2.77Å; K332-A345 PolarHBondContact O-N 3.48Å
346F95.9Very high85Confident88 Ų8874.7 Ų74.739%0.38640%0.403SS..EExtended strand (participates in β ladder)trans-146.5128.8172.5171-92.6000108.3T329 F330 H331 V348T329-F346 HydrophobicContact CG2-CE2 4Å; T329-F346 HydrophobicContact CG2-CZ 3.97Å; F330-F346 WeakPolarHBondContact O-CA 3.4Å; H331-F346 AromaticContact CE1-CD2 3.5Å; H331-F346 AromaticContact CE1-CE2 3.44Å; H331-F346 VanDerWaalsContact CE1-CE2 3.44Å; H331-F346 WeakPolarHBondContact CE1-CE2 3.44Å; H331-F346 AromaticContact ND1-CD2 3.62Å; H331-F346 AromaticContact NE2-CE2 3.79Å; F346-V348 HydrophobicContact CE1-CG2 4.37Å; F346-V348 HydrophobicContact CZ-CG2 4.4Å
347D95.9Very high82.5Confident69 Ų6979.7 Ų79.737%0.36943%0.428SS..EExtended strand (participates in β ladder)trans-142.5162.7-180-67.6-72.1000110.1L35 F330L35-D347 HydrophobicContact CD2-CB 3.56Å; F330-D347 HydrophobicContact CB-CB 4.31Å; F330-D347 HydrophobicContact CD1-CB 4.49Å; F330-D347 PolarHBondContact N-O 2.93Å; F330-D347 PolarHBondContact O-N 3.49Å
348V95.2Very high79.8Confident39 Ų3988.7 Ų88.724%0.23646%0.46CS..EExtended strand (participates in β ladder)trans-107.996.9168.8-174.60000106.9R5 G328 F346 L350 D351R5-V348 VanDerWaalsContact NH1-CG1 3.3Å; G328-V348 CarbonylContact O-C 3.54Å; G328-V348 WeakPolarHBondContact O-CA 3.14Å; G328-V348 WeakPolarHBondContact O-CG1 3.45Å; F346-V348 HydrophobicContact CE1-CG2 4.37Å; F346-V348 HydrophobicContact CZ-CG2 4.4Å; V348-L350 PolarHBondContact O-N 3.29Å; V348-L350 VanDerWaalsContact O-N 3.12Å; V348-D351 HydrophobicContact CB-CB 4.23Å; V348-D351 HydrophobicContact CG1-CB 4.19Å; V348-D351 WeakPolarHBondContact CG1-OD2 3.42Å; V348-D351 PolarHBondContact O-N 2.48Å
349Y94.5Very high79.3Confident0 Ų087.6 Ų87.60%045%0.453CS..G310 helixtrans-64.7-22.8-168.267.6-99.8000113.1F19 C21 Y30 I324 C325 G328 F330 D351F19-Y349 HydrophobicContact CE2-CD2 4.14Å; F19-Y349 HydrophobicContact CE2-CE2 4.21Å; F19-Y349 HydrophobicContact CE2-CG 4.39Å; F19-Y349 HydrophobicContact CZ-CD1 4.43Å; F19-Y349 HydrophobicContact CZ-CD2 4.17Å; F19-Y349 HydrophobicContact CZ-CG 4.06Å; C21-Y349 HydrophobicContact CB-CE2 4.37Å; Y30-Y349 HydrophobicContact CD2-CD2 4.34Å; Y30-Y349 HydrophobicContact CE1-CD2 4.43Å; Y30-Y349 VanDerWaalsContact CE1-O 3.29Å; Y30-Y349 WeakPolarHBondContact CE1-O 3.31Å; Y30-Y349 AromaticContact CE2-CD2 3.65Å; Y30-Y349 HydrophobicContact CE2-CD2 3.65Å; Y30-Y349 HydrophobicContact CE2-CE2 4.18Å; Y30-Y349 AromaticContact CZ-CD2 3.71Å; Y30-Y349 PolarHBondContact OH-O 3.45Å; I324-Y349 HydrophobicContact CG2-CD1 3.97Å; I324-Y349 HydrophobicContact CG2-CE1 3.52Å; C325-Y349 WeakPolarHBondContact O-CE1 3.41Å; C325-Y349 PolarHBondContact O-OH 3.44Å; C325-Y349 VanDerWaalsContact O-OH 3.14Å; G328-Y349 WeakPolarHBondContact O-CD1 3.43Å; G328-Y349 WeakPolarHBondContact O-CE1 3.27Å; G328-Y349 PolarHBondContact O-N 3.14Å; F330-Y349 HydrophobicContact CB-CD1 4.3Å; Y349-D351 VanDerWaalsContact C-N 3.3Å
350L92.6Very high78.7Confident25 Ų2591.5 Ų91.513%0.13147%0.471CS..G310 helixtrans-74.1-20.9174.8-66179.7000113.5R5 V7 M23 V348R5-L350 HydrophobicContact CB-CD1 3.55Å; R5-L350 HydrophobicContact CG-CD1 4.26Å; V7-L350 HydrophobicContact CG2-CD1 3.95Å; M23-L350 HydrophobicContact CE-CD1 4.29Å; M23-L350 HydrophobicContact CE-CD2 3.53Å; M23-L350 HydrophobicContact SD-CD2 3.78Å; V348-L350 PolarHBondContact O-N 3.29Å; V348-L350 VanDerWaalsContact O-N 3.12Å
351D91.2Very high77.9Confident91 Ų9191.9 Ų91.949%0.48747%0.472SS..G310 helixtrans-99.35.5-179.4-59.8-18.9000111.7R5 V348 Y349 C353R5-D351 IonicContact CZ-OD1 3.39Å; R5-D351 IonicContact CZ-OD2 3.32Å; R5-D351 IonicContact NH1-OD1 2.88Å; R5-D351 PolarHBondContact NH1-OD1 3.1Å; R5-D351 IonicContact NH1-OD2 3.12Å; R5-D351 PolarHBondContact NH1-OD2 3.17Å; R5-D351 IonicContact NH2-OD1 3.9Å; R5-D351 IonicContact NH2-OD2 3.87Å; R5-D351 PolarHBondContact NH2-OD2 3.18Å; R5-D351 VanDerWaalsContact NH2-OD2 3.09Å; V348-D351 HydrophobicContact CB-CB 4.23Å; V348-D351 HydrophobicContact CG1-CB 4.19Å; V348-D351 WeakPolarHBondContact CG1-OD2 3.42Å; V348-D351 PolarHBondContact O-N 2.48Å; Y349-D351 VanDerWaalsContact C-N 3.3Å; D351-C353 PolarHBondContact O-N 2.98Å
352I85.1Confident76.9Confident46 Ų4695.8 Ų95.824%0.23649%0.489CS..  trans-72.887.2169.6-59.1175.4000106L35L35-I352 HydrophobicContact CD1-CD1 4.36Å; L35-I352 HydrophobicContact CD2-CD1 3.52Å; L35-I352 HydrophobicContact CG-CD1 3.54Å
353C64.6Low75.8Confident102 Ų10295.4 Ų95.469%0.68949%0.486SS*.  trans-66.1147.2170.6-67.90000109.7D351 D355D351-C353 PolarHBondContact O-N 2.98Å; C353-D355 PolarHBondContact O-N 3.07Å
354D53.5Low74.4Confident79 Ų7991.8 Ų91.842%0.42248%0.481SS..  trans-61.8118165.1-69.3-40000107.7H40 D356H40-D354 IonicContact CE1-OD2 3.58Å; D354-D356 HydrophobicContact CB-CB 4.44Å; D354-D356 PolarHBondContact O-N 2.61Å
355D44.1Very low73Confident146 Ų14691.2 Ų91.278%0.78148%0.481SS*.THydrogen-bonded Turntrans-65.812.3169.7-82.1-34.4000112.3C353C353-D355 PolarHBondContact O-N 3.07Å
356D42.4Very low71.3Confident150 Ų15095.9 Ų95.980%0.80250%0.499SS*.THydrogen-bonded Turntrans-90.85.1-179.2-74-27.4000113.8D354D354-D356 HydrophobicContact CB-CB 4.44Å; D354-D356 PolarHBondContact O-N 2.61Å
357D38.5Very low69.3Low152 Ų15296.6 Ų96.681%0.81351%0.509SS*.  trans-100.145.7172.6-86.6-20.9000113.3
358F33.6Very low66.8Low260 Ų26099.1 Ų99.1100%1.1452%0.522SS*.  trans-130.90168.4-82.2-73.8000114.7

Retrieved 358 of 358 residues in 231.4 ms (Link to these results)

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