A0A077YV77_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YV77, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 286 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
1M48.8Very low81.4Confident48 Ų4858.2 Ų58.224%0.23635%0.353CS..  0122.40-165.4-165.7-65.300110.6S3 S4 L6 L43 N44 R45 I61M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.19Å; M1-S4 PolarHBondContact N-O 2.96Å; M1-S4 PolarHBondContact N-OG 2.83Å; M1-S4 WeakPolarHBondContact O-CA 3.23Å; M1-S4 WeakPolarHBondContact O-CB 3.24Å; M1-S4 PolarHBondContact O-N 3.35Å; M1-S4 PolarHBondContact O-OG 2.82Å; M1-L6 PolarHBondContact N-O 3.46Å; M1-L43 HydrophobicContact CE-CB 3.67Å; M1-L43 HydrophobicContact CE-CD2 4.26Å; M1-N44 WeakPolarHBondContact CE-O 3.22Å; M1-N44 VanDerWaalsContact SD-O 3.36Å; M1-R45 HydrophobicContact SD-CG 4.14Å; M1-I61 HydrophobicContact CE-CD1 3.04Å; M1-I61 HydrophobicContact SD-CD1 4.35Å
2F62.1Low82.4Confident111 Ų11168.3 Ų68.349%0.48740%0.402SS..THydrogen-bonded Turntrans48.548.9-176.5-50.9-74000113.1S4 R45 A85F2-S4 VanDerWaalsContact C-N 3.3Å; F2-S4 PolarHBondContact O-N 3.04Å; F2-R45 HydrophobicContact CD2-CG 3.92Å; F2-R45 HydrophobicContact CE2-CG 3.73Å; F2-A85 HydrophobicContact CE1-CB 4.38Å; F2-A85 HydrophobicContact CZ-CB 3.91Å
3S70.6Confident83.5Confident132 Ų13271.6 Ų71.692%0.92343%0.431SS*.THydrogen-bonded Turntrans71.46.7-172.2-480000116.8M1M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.19Å
4S79.4Confident84.3Confident51 Ų5168.9 Ų68.936%0.35742%0.42SS..  trans-74.8155.6170.485.10000113.1M1 F2 L6M1-S4 PolarHBondContact N-O 2.96Å; M1-S4 PolarHBondContact N-OG 2.83Å; M1-S4 WeakPolarHBondContact O-CA 3.23Å; M1-S4 WeakPolarHBondContact O-CB 3.24Å; M1-S4 PolarHBondContact O-N 3.35Å; M1-S4 PolarHBondContact O-OG 2.82Å; F2-S4 VanDerWaalsContact C-N 3.3Å; F2-S4 PolarHBondContact O-N 3.04Å; S4-L6 PolarHBondContact O-N 2.84Å; S4-L6 PolarHBondContact OG-N 3.26Å
5S86.4Confident85.1Confident21 Ų2167.7 Ų67.715%0.14741%0.414CS..SBendtrans-70-2.7176.153.20000115.4H22 F23S5-H22 WeakPolarHBondContact CB-CE1 3.49Å; S5-H22 CarbonylContact O-C 3.56Å; S5-H22 WeakPolarHBondContact O-CA 3.11Å; S5-H22 PolarHBondContact OG-CD2 3.14Å; S5-H22 PolarHBondContact OG-CE1 2.93Å; S5-H22 PolarHBondContact OG-NE2 3.22Å; S5-F23 WeakPolarHBondContact O-CD1 3.13Å; S5-F23 PolarHBondContact O-N 2.93Å
6L87.2Confident85.9Confident40 Ų4072.4 Ų72.421%0.20942%0.422CS..EExtended strand (participates in β ladder)trans-83124.3-178.2-165.176.5000110.6M1 S4 V20 I29 I61M1-L6 PolarHBondContact N-O 3.46Å; S4-L6 PolarHBondContact O-N 2.84Å; S4-L6 PolarHBondContact OG-N 3.26Å; L6-V20 HydrophobicContact CD1-CG1 3.5Å; L6-V20 VanDerWaalsContact CD1-CG1 3.5Å; L6-V20 HydrophobicContact CD2-CG1 4.38Å; L6-V20 HydrophobicContact CG-CG1 4Å; L6-I29 HydrophobicContact CD1-CD1 3.31Å; L6-I61 HydrophobicContact CD2-CD1 3.89Å; L6-I61 HydrophobicContact CD2-CG1 4.05Å
7V89.1Confident86.5Confident63 Ų6372.1 Ų72.138%0.38241%0.414SS..EExtended strand (participates in β ladder)trans-127.4142.2175.41750000108.8C21 F23V7-C21 PolarHBondContact N-O 3.11Å; V7-C21 PolarHBondContact O-N 2.75Å; V7-F23 HydrophobicContact CG2-CB 4.45Å; V7-F23 HydrophobicContact CG2-CD1 3.78Å
8T90.2Very high86.9Confident31 Ų3168.1 Ų68.119%0.1939%0.391CS..EExtended strand (participates in β ladder)trans-117.3129.1172.6-58.40000108.5V18 Q19 V20 V41 L43T8-V18 HydrophobicContact CG2-CG2 3.21Å; T8-Q19 CarbonylContact C-O 3.58Å; T8-Q19 VanDerWaalsContact CA-O 3.29Å; T8-Q19 WeakPolarHBondContact CA-O 3.32Å; T8-V20 HydrophobicContact CG2-CG2 4.26Å; T8-V41 HydrophobicContact CG2-CG1 3.94Å; T8-L43 WeakPolarHBondContact OG1-CD2 3.36Å
9S92.1Very high87.2Confident47 Ų4767.5 Ų67.533%0.32938%0.384SS..EExtended strand (participates in β ladder)trans-130150.6-176.357.30000111.6Q19S9-Q19 PolarHBondContact N-O 3.38Å; S9-Q19 PolarHBondContact O-N 2.84Å
10V95.1Very high87.3Confident54 Ų5464.3 Ų64.333%0.32737%0.366SS..EExtended strand (participates in β ladder)trans-130.4126.5167.4-179.90000105.4V18 I38 V41V10-V18 HydrophobicContact CG2-CB 4.39Å; V10-V18 HydrophobicContact CG2-CG2 4.25Å; V10-I38 HydrophobicContact CG1-CB 4.29Å; V10-I38 HydrophobicContact CG1-CD1 4.17Å; V10-I38 HydrophobicContact CG2-CB 4.29Å; V10-I38 HydrophobicContact CG2-CD1 3.71Å; V10-I38 HydrophobicContact CG2-CG2 4.07Å; V10-V41 HydrophobicContact CG2-CG2 3.96Å
11S94.2Very high87.4Confident42 Ų4262.8 Ų62.829%0.29436%0.36SS..EExtended strand (participates in β ladder)trans-95154.2-179.771.70000111.2S13 A14 P15S11-S13 PolarHBondContact O-N 2.9Å; S11-S13 PolarHBondContact OG-OG 3.07Å; S11-A14 CarbonylContact O-C 3.54Å; S11-A14 PolarHBondContact O-N 3.32Å; S11-A14 VanDerWaalsContact O-N 3.14Å; S11-A14 PolarHBondContact OG-N 3.41Å; S11-P15 WeakPolarHBondContact O-CA 3.41Å
12L93.7Very high89.3Confident179 Ų17962.1 Ų62.194%0.93736%0.356SS*.THydrogen-bonded Turntrans-63.5-27.2171.6-64.8176.4000112.4A14L12-A14 VanDerWaalsContact C-N 3.33Å
13S96.2Very high90.5Very high112 Ų11262.3 Ų62.378%0.78336%0.356SS*.THydrogen-bonded Turntrans-75.3-20.7175.555.90000113.6S11S11-S13 PolarHBondContact O-N 2.9Å; S11-S13 PolarHBondContact OG-OG 3.07Å
14A95.5Very high91.4Very high33 Ų3362.6 Ų62.627%0.27334%0.343SS..EExtended strand (participates in β ladder)trans-140.365.3-179.800000110.5S11 L12 R16 K17S11-A14 CarbonylContact O-C 3.54Å; S11-A14 PolarHBondContact O-N 3.32Å; S11-A14 VanDerWaalsContact O-N 3.14Å; S11-A14 PolarHBondContact OG-N 3.41Å; L12-A14 VanDerWaalsContact C-N 3.33Å; A14-R16 PolarHBondContact O-N 2.93Å; A14-K17 HydrophobicContact CB-CB 4.1Å; A14-K17 PolarHBondContact O-N 3.43Å
15P96.5Very high91.9Very high52 Ų5266.9 Ų66.934%0.33836%0.356SS..EExtended strand (participates in β ladder)trans-66.5-10.7-170.827.9-36.1000113.8S11 I38S11-P15 WeakPolarHBondContact O-CA 3.41Å; P15-I38 WeakPolarHBondContact O-CB 3.37Å; P15-I38 PolarHBondContact O-N 3.41Å
16R97.2Very high92Very high143 Ų14373.4 Ų73.454%0.5439%0.389SS..EExtended strand (participates in β ladder)trans-102.34.1-179.9-56.9-169.4-70.6173.7-2.2113.3A14 S33 Y34 A35A14-R16 PolarHBondContact O-N 2.93Å; R16-S33 CarbonylContact O-C 3.6Å; R16-S33 WeakPolarHBondContact O-CA 3.49Å; R16-Y34 PolarHBondContact O-N 3.46Å; R16-A35 WeakPolarHBondContact CD-O 3.47Å; R16-A35 PolarHBondContact NH1-O 3.2Å
17K95.8Very high92.2Very high66 Ų6676.7 Ų76.729%0.28740%0.403SS..EExtended strand (participates in β ladder)trans-120.3122.5-175.9-171.8179.7178.5-174.80109.7A14 Q19 S31 Q32A14-K17 HydrophobicContact CB-CB 4.1Å; A14-K17 PolarHBondContact O-N 3.43Å; K17-Q19 HydrophobicContact CD-CG 4.39Å; K17-Q19 HydrophobicContact CG-CG 4.37Å; K17-S31 WeakPolarHBondContact CE-OG 3.46Å; K17-S31 PolarHBondContact NZ-OG 2.89Å; K17-Q32 WeakPolarHBondContact CA-O 3.27Å
18V94.3Very high92.1Very high0 Ų077.9 Ų77.90%041%0.405CS..EExtended strand (participates in β ladder)trans-93.2133.1167.674.80000109T8 V10 S31 Q32 Y34 I38 V41 M64T8-V18 HydrophobicContact CG2-CG2 3.21Å; V10-V18 HydrophobicContact CG2-CB 4.39Å; V10-V18 HydrophobicContact CG2-CG2 4.25Å; V18-S31 WeakPolarHBondContact O-CA 3.43Å; V18-S31 VanDerWaalsContact O-CB 3.27Å; V18-S31 WeakPolarHBondContact O-CB 3.22Å; V18-Q32 HydrophobicContact CG1-CB 3.81Å; V18-Q32 PolarHBondContact N-O 3.21Å; V18-Q32 PolarHBondContact O-N 3.02Å; V18-Y34 HydrophobicContact CB-CE2 4.14Å; V18-Y34 HydrophobicContact CG1-CE2 3.68Å; V18-I38 HydrophobicContact CB-CD1 3.97Å; V18-V41 HydrophobicContact CG2-CG2 4.39Å; V18-M64 HydrophobicContact CG1-CE 3.98Å
19Q91.7Very high92Very high57 Ų5780.5 Ų80.527%0.26642%0.416SS..EExtended strand (participates in β ladder)trans-117.2132174.1-66.2-178.3-66.700109.2T8 S9 K17 E28T8-Q19 CarbonylContact C-O 3.58Å; T8-Q19 VanDerWaalsContact CA-O 3.29Å; T8-Q19 WeakPolarHBondContact CA-O 3.32Å; S9-Q19 PolarHBondContact N-O 3.38Å; S9-Q19 PolarHBondContact O-N 2.84Å; K17-Q19 HydrophobicContact CD-CG 4.39Å; K17-Q19 HydrophobicContact CG-CG 4.37Å; Q19-E28 PolarHBondContact NE2-OE2 3Å
20V89.8Confident91.8Very high4 Ų479.9 Ų79.92%0.02441%0.412CS..EExtended strand (participates in β ladder)trans-109.1120173.1-176.10000107.5L6 T8 I29 C30 M64L6-V20 HydrophobicContact CD1-CG1 3.5Å; L6-V20 VanDerWaalsContact CD1-CG1 3.5Å; L6-V20 HydrophobicContact CD2-CG1 4.38Å; L6-V20 HydrophobicContact CG-CG1 4Å; T8-V20 HydrophobicContact CG2-CG2 4.26Å; V20-I29 HydrophobicContact CG1-CD1 4.4Å; V20-I29 PolarHBondContact O-N 3.2Å; V20-C30 PolarHBondContact N-O 3.38Å; V20-C30 PolarHBondContact O-N 2.71Å; V20-M64 HydrophobicContact CG2-CG 4.06Å; V20-M64 HydrophobicContact CG2-SD 3.99Å
21C89.4Confident91.6Very high33 Ų3379.6 Ų79.622%0.22341%0.412CS..EExtended strand (participates in β ladder)trans-127.5152.5-176.165.20000112.2V7 Q27V7-C21 PolarHBondContact N-O 3.11Å; V7-C21 PolarHBondContact O-N 2.75Å; C21-Q27 CarbonylContact C-O 3.53Å; C21-Q27 VanDerWaalsContact CA-O 3.27Å; C21-Q27 WeakPolarHBondContact CA-O 3.4Å
22H89.7Confident91.6Very high34 Ų3481.5 Ų81.516%0.15742%0.416CS..EExtended strand (participates in β ladder)trans-98.297168.8-170.9-65.1000108.7S5 Q24 K25 N26 Q27 I29S5-H22 WeakPolarHBondContact CB-CE1 3.49Å; S5-H22 CarbonylContact O-C 3.56Å; S5-H22 WeakPolarHBondContact O-CA 3.11Å; S5-H22 PolarHBondContact OG-CD2 3.14Å; S5-H22 PolarHBondContact OG-CE1 2.93Å; S5-H22 PolarHBondContact OG-NE2 3.22Å; H22-Q24 VanDerWaalsContact C-N 3.31Å; H22-Q24 PolarHBondContact O-N 3.11Å; H22-K25 HydrophobicContact CB-CB 4.28Å; H22-K25 VanDerWaalsContact CE1-CG 3.49Å; H22-K25 WeakPolarHBondContact CE1-CG 3.27Å; H22-K25 WeakPolarHBondContact ND1-CB 3.21Å; H22-K25 WeakPolarHBondContact ND1-CG 3.32Å; H22-K25 PolarHBondContact ND1-N 2.82Å; H22-K25 CarbonylContact O-C 3.58Å; H22-K25 PolarHBondContact O-N 2.82Å; H22-N26 PolarHBondContact O-N 3.3Å; H22-Q27 PolarHBondContact N-O 3.34Å; H22-Q27 PolarHBondContact O-N 3.23Å; H22-I29 HydrophobicContact CB-CD1 4.11Å; H22-I29 HydrophobicContact CB-CG1 4.42Å
23F86.8Confident91.6Very high114 Ų11476.8 Ų76.850%0.540%0.398SS..G310 helixtrans-61.8-37.2-168.177.2-103.1000113.1S5 V7 K25 N26S5-F23 WeakPolarHBondContact O-CD1 3.13Å; S5-F23 PolarHBondContact O-N 2.93Å; V7-F23 HydrophobicContact CG2-CB 4.45Å; V7-F23 HydrophobicContact CG2-CD1 3.78Å; F23-K25 PolarHBondContact O-N 3.2Å; F23-N26 PolarHBondContact O-N 3.01Å
24Q89.9Confident91.6Very high139 Ų13972.7 Ų72.765%0.6537%0.366SS*.G310 helixtrans-67.7-24.5179.1-65.9177.2-23.300113.2H22H22-Q24 VanDerWaalsContact C-N 3.31Å; H22-Q24 PolarHBondContact O-N 3.11Å
25K89.8Confident91.4Very high141 Ų14174.7 Ų74.761%0.61338%0.383SS*.G310 helixtrans-100.8-2.3179.1-72.5177.2-178.1-175.10111.5H22 F23 Q27H22-K25 HydrophobicContact CB-CB 4.28Å; H22-K25 VanDerWaalsContact CE1-CG 3.49Å; H22-K25 WeakPolarHBondContact CE1-CG 3.27Å; H22-K25 WeakPolarHBondContact ND1-CB 3.21Å; H22-K25 WeakPolarHBondContact ND1-CG 3.32Å; H22-K25 PolarHBondContact ND1-N 2.82Å; H22-K25 CarbonylContact O-C 3.58Å; H22-K25 PolarHBondContact O-N 2.82Å; F23-K25 PolarHBondContact O-N 3.2Å; K25-Q27 HydrophobicContact CB-CB 4.1Å; K25-Q27 PolarHBondContact O-N 3.15Å; K25-Q27 VanDerWaalsContact O-N 3.15Å
26N88.4Confident91.3Very high158 Ų15876.5 Ų76.585%0.84539%0.39SS*.THydrogen-bonded Turntrans44.941.1-170.5-160.829.9000113.2H22 F23H22-N26 PolarHBondContact O-N 3.3Å; F23-N26 PolarHBondContact O-N 3.01Å
27Q89.8Confident91.3Very high109 Ų10972.6 Ų72.651%0.50938%0.384SS..EExtended strand (participates in β ladder)trans-116.1128.5-172.3-176179.87.400110.4C21 H22 K25C21-Q27 CarbonylContact C-O 3.53Å; C21-Q27 VanDerWaalsContact CA-O 3.27Å; C21-Q27 WeakPolarHBondContact CA-O 3.4Å; H22-Q27 PolarHBondContact N-O 3.34Å; H22-Q27 PolarHBondContact O-N 3.23Å; K25-Q27 HydrophobicContact CB-CB 4.1Å; K25-Q27 PolarHBondContact O-N 3.15Å; K25-Q27 VanDerWaalsContact O-N 3.15Å
28E88.9Confident91.4Very high88 Ų8870.4 Ų70.441%0.41138%0.375SS..EExtended strand (participates in β ladder)trans-72.9122.8164.6-173.5173.914600108.5Q19 S31Q19-E28 PolarHBondContact NE2-OE2 3Å; E28-S31 WeakPolarHBondContact OE1-CB 3.45Å; E28-S31 PolarHBondContact OE1-OG 3.33Å
29I86.9Confident91.5Very high85 Ų8573.5 Ų73.544%0.43639%0.391SS..EExtended strand (participates in β ladder)trans-83-48176.3-66.4166.1000108.9L6 V20 H22L6-I29 HydrophobicContact CD1-CD1 3.31Å; V20-I29 HydrophobicContact CG1-CD1 4.4Å; V20-I29 PolarHBondContact O-N 3.2Å; H22-I29 HydrophobicContact CB-CD1 4.11Å; H22-I29 HydrophobicContact CB-CG1 4.42Å
30C88.8Confident91.8Very high35 Ų3571.4 Ų71.424%0.23638%0.384CS..EExtended strand (participates in β ladder)trans-163.4159.1179.754.50000110.7V20 M64V20-C30 PolarHBondContact N-O 3.38Å; V20-C30 PolarHBondContact O-N 2.71Å; C30-M64 HydrophobicContact CB-CG 4.49Å; C30-M64 WeakPolarHBondContact SG-CG 3.44Å
31S91.2Very high92.1Very high47 Ų4772.6 Ų72.633%0.32939%0.391SS..EExtended strand (participates in β ladder)trans-138.1149.8167.6510000112.2K17 V18 E28K17-S31 WeakPolarHBondContact CE-OG 3.46Å; K17-S31 PolarHBondContact NZ-OG 2.89Å; V18-S31 WeakPolarHBondContact O-CA 3.43Å; V18-S31 VanDerWaalsContact O-CB 3.27Å; V18-S31 WeakPolarHBondContact O-CB 3.22Å; E28-S31 WeakPolarHBondContact OE1-CB 3.45Å; E28-S31 PolarHBondContact OE1-OG 3.33Å
32Q92.5Very high92.4Very high83 Ų8375.5 Ų75.539%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-133.4135.2-178.8-177.46535.600109.3K17 V18 Y34 M64K17-Q32 WeakPolarHBondContact CA-O 3.27Å; V18-Q32 HydrophobicContact CG1-CB 3.81Å; V18-Q32 PolarHBondContact N-O 3.21Å; V18-Q32 PolarHBondContact O-N 3.02Å; Q32-Y34 HydrophobicContact CB-CE2 4.29Å; Q32-Y34 HydrophobicContact CG-CE1 4.28Å; Q32-Y34 HydrophobicContact CG-CE2 4.04Å; Q32-M64 HydrophobicContact CB-CE 4.39Å
33S94.7Very high92.6Very high80 Ų8076.8 Ų76.856%0.55941%0.405SS*.EExtended strand (participates in β ladder)trans-102.9145176.5-62.60000110.6R16R16-S33 CarbonylContact O-C 3.6Å; R16-S33 WeakPolarHBondContact O-CA 3.49Å
34Y95.6Very high92.9Very high25 Ų2571.4 Ų71.410%0.09838%0.382CS..  trans-119159.6178-59.5-88.4000110.5R16 V18 Q32 N36 I38 V50 L52 C57 H59R16-Y34 PolarHBondContact O-N 3.46Å; V18-Y34 HydrophobicContact CB-CE2 4.14Å; V18-Y34 HydrophobicContact CG1-CE2 3.68Å; Q32-Y34 HydrophobicContact CB-CE2 4.29Å; Q32-Y34 HydrophobicContact CG-CE1 4.28Å; Q32-Y34 HydrophobicContact CG-CE2 4.04Å; Y34-N36 VanDerWaalsContact C-N 3.34Å; Y34-I38 HydrophobicContact CD2-CD1 3.68Å; Y34-I38 HydrophobicContact CD2-CG1 3.87Å; Y34-I38 HydrophobicContact CE2-CD1 3.98Å; Y34-I38 HydrophobicContact CE2-CG1 4.45Å; Y34-I38 HydrophobicContact CG-CG1 4.5Å; Y34-V50 HydrophobicContact CD1-CG1 4.39Å; Y34-V50 HydrophobicContact CD2-CG1 4.17Å; Y34-V50 HydrophobicContact CE1-CB 4.27Å; Y34-V50 HydrophobicContact CE1-CG1 4.11Å; Y34-V50 HydrophobicContact CE2-CB 4.41Å; Y34-V50 HydrophobicContact CE2-CG1 3.84Å; Y34-V50 HydrophobicContact CE2-CG2 4.16Å; Y34-V50 HydrophobicContact CG-CG1 4.44Å; Y34-V50 WeakPolarHBondContact OH-CG2 3.45Å; Y34-L52 HydrophobicContact CD1-CD1 4.44Å; Y34-L52 HydrophobicContact CG-CD2 4.39Å; Y34-C57 HydrophobicContact CE1-CB 3.95Å; Y34-H59 AromaticContact CE1-CE1 3.71Å; Y34-H59 AromaticContact CE1-NE2 3.8Å; Y34-H59 AromaticContact CZ-CE1 3.71Å; Y34-H59 AromaticContact CZ-NE2 3.82Å; Y34-H59 PolarHBondContact OH-CE1 3.21Å; Y34-H59 PolarHBondContact OH-NE2 3.24Å
35A91.8Very high92.9Very high76 Ų7672.3 Ų72.363%0.62838%0.379SS*.SBendtrans-65.4-40179.800000112R16R16-A35 WeakPolarHBondContact CD-O 3.47Å; R16-A35 PolarHBondContact NH1-O 3.2Å
36N94.4Very high93Very high90 Ų9068.4 Ų68.448%0.48136%0.363SS..SBendtrans-115.2167.9-175.4-63-31.8000111.7Y34Y34-N36 VanDerWaalsContact C-N 3.34Å
37S96.8Very high93.3Very high61 Ų6163 Ų6343%0.42733%0.331SS..  trans-62.4135.9177.1-63.70000111.4
38I97.7Very high93.5Very high19 Ų1957.9 Ų57.910%0.09731%0.307CS..  trans-78.3122.2175.9-58.5165000108.3V10 P15 V18 Y34 V41 V50 L52V10-I38 HydrophobicContact CG1-CB 4.29Å; V10-I38 HydrophobicContact CG1-CD1 4.17Å; V10-I38 HydrophobicContact CG2-CB 4.29Å; V10-I38 HydrophobicContact CG2-CD1 3.71Å; V10-I38 HydrophobicContact CG2-CG2 4.07Å; P15-I38 WeakPolarHBondContact O-CB 3.37Å; P15-I38 PolarHBondContact O-N 3.41Å; V18-I38 HydrophobicContact CB-CD1 3.97Å; Y34-I38 HydrophobicContact CD2-CD1 3.68Å; Y34-I38 HydrophobicContact CD2-CG1 3.87Å; Y34-I38 HydrophobicContact CE2-CD1 3.98Å; Y34-I38 HydrophobicContact CE2-CG1 4.45Å; Y34-I38 HydrophobicContact CG-CG1 4.5Å; I38-V41 HydrophobicContact CG2-CG2 3.68Å; I38-V50 HydrophobicContact CB-CG1 4.37Å; I38-V50 HydrophobicContact CD1-CG1 4.29Å; I38-V50 HydrophobicContact CG1-CG1 3.86Å; I38-V50 HydrophobicContact CG2-CG1 3.77Å; I38-L52 HydrophobicContact CG1-CD2 4.13Å
39L97.3Very high93.9Very high65 Ų6553.7 Ų53.734%0.3429%0.287SS..  trans-94.8-35.4-178.7-58.1179.9000112C51 E53 N76L39-C51 PolarHBondContact N-O 3.34Å; L39-E53 HydrophobicContact CD1-CB 3.93Å; L39-E53 HydrophobicContact CD1-CG 4.47Å; L39-N76 WeakPolarHBondContact CD1-O 3.37Å
40A96.8Very high94.3Very high13 Ų1349.6 Ų49.611%0.10727%0.266CS..EExtended strand (participates in β ladder)trans-150.2151.2174.500000112.1C51 G79A40-C51 HydrophobicContact CB-CB 4Å; A40-C51 PolarHBondContact N-O 2.83Å; A40-C51 PolarHBondContact O-N 2.92Å; A40-G79 WeakPolarHBondContact CB-O 3.46Å
41V96.5Very high94.8Very high30 Ų3048 Ų4818%0.18226%0.255CS..EExtended strand (participates in β ladder)trans-124.1133168.7-173.70000108.6T8 V10 V18 I38 L43 V48 V49T8-V41 HydrophobicContact CG2-CG1 3.94Å; V10-V41 HydrophobicContact CG2-CG2 3.96Å; V18-V41 HydrophobicContact CG2-CG2 4.39Å; I38-V41 HydrophobicContact CG2-CG2 3.68Å; V41-L43 HydrophobicContact CG1-CD1 3.83Å; V41-L43 HydrophobicContact CG1-CG 4.34Å; V41-V48 HydrophobicContact CG1-CG1 3.99Å; V41-V49 CarbonylContact C-O 3.56Å; V41-V49 WeakPolarHBondContact CA-O 3.25Å
42R95.5Very high95.1Very high94 Ų9446 Ų4636%0.35524%0.241SC..EExtended strand (participates in β ladder)trans-127141.7174.9-60.7-67.4-180-116.32.3109.6V49 C81 L83R42-V49 HydrophobicContact CB-CB 4.27Å; R42-V49 PolarHBondContact N-O 2.79Å; R42-V49 PolarHBondContact O-N 2.98Å; R42-C81 PolarHBondContact NE-O 3.38Å; R42-C81 PolarHBondContact NH2-O 3.08Å; R42-L83 HydrophobicContact CB-CB 3.75Å; R42-L83 HydrophobicContact CB-CD2 4.32Å
43L93.7Very high95.2Very high61 Ų6146.2 Ų46.232%0.31924%0.242SC..EExtended strand (participates in β ladder)trans-136.6143.2-175.2-57.999.2000111.5M1 T8 V41 R47 V48 I61M1-L43 HydrophobicContact CE-CB 3.67Å; M1-L43 HydrophobicContact CE-CD2 4.26Å; T8-L43 WeakPolarHBondContact OG1-CD2 3.36Å; V41-L43 HydrophobicContact CG1-CD1 3.83Å; V41-L43 HydrophobicContact CG1-CG 4.34Å; L43-R47 WeakPolarHBondContact CA-O 3.48Å; L43-V48 HydrophobicContact CD2-CB 4.5Å; L43-V48 HydrophobicContact CD2-CG1 4.33Å; L43-V48 HydrophobicContact CD2-CG2 3.67Å; L43-V48 HydrophobicContact CG-CG1 4.41Å; L43-V48 HydrophobicContact CG-CG2 4.27Å; L43-I61 HydrophobicContact CD2-CD1 4.22Å
44N93.4Very high95.3Very high1 Ų148 Ų481%0.00524%0.242CC..  trans-134.8-175.6163.373.912.5000109.5M1 Q46 R47 I61 L83 T84 S86 S89M1-N44 WeakPolarHBondContact CE-O 3.22Å; M1-N44 VanDerWaalsContact SD-O 3.36Å; N44-Q46 PolarHBondContact O-N 2.96Å; N44-Q46 PolarHBondContact OD1-N 3.47Å; N44-R47 PolarHBondContact N-O 2.87Å; N44-R47 VanDerWaalsContact N-O 3.11Å; N44-R47 PolarHBondContact OD1-N 3.3Å; N44-I61 VanDerWaalsContact O-CD1 3.27Å; N44-I61 WeakPolarHBondContact O-CD1 3.12Å; N44-L83 HydrophobicContact CB-CD2 4.02Å; N44-L83 HydrophobicContact CB-CG 4.42Å; N44-T84 WeakPolarHBondContact CB-O 3.49Å; N44-T84 PolarHBondContact ND2-O 3.12Å; N44-S86 PolarHBondContact ND2-O 2.9Å; N44-S89 WeakPolarHBondContact ND2-CB 3.48Å; N44-S89 PolarHBondContact ND2-OG 3.02Å
45R90.6Very high95.4Very high157 Ų15748 Ų4859%0.59225%0.245SC*.SBendtrans-62.8-9.9-174.4-67-173.4178.9-94.51.2114.8M1 F2 I61M1-R45 HydrophobicContact SD-CG 4.14Å; F2-R45 HydrophobicContact CD2-CG 3.92Å; F2-R45 HydrophobicContact CE2-CG 3.73Å; R45-I61 WeakPolarHBondContact O-CG2 3.37Å
46Q92.3Very high95.7Very high60 Ų6044.4 Ų44.428%0.2822%0.215SC..SBendtrans-125.2-24-175.4-50.7-168800114.6N44 I61 D87N44-Q46 PolarHBondContact O-N 2.96Å; N44-Q46 PolarHBondContact OD1-N 3.47Å; Q46-I61 VanDerWaalsContact C-CG2 3.49Å; Q46-I61 PolarHBondContact O-N 3.27Å; Q46-I61 VanDerWaalsContact O-N 3.11Å; Q46-D87 VanDerWaalsContact NE2-CG 3.34Å; Q46-D87 PolarHBondContact NE2-OD1 2.88Å
47R94Very high95.8Very high45 Ų4540.6 Ų40.617%0.1720%0.195CC..EExtended strand (participates in β ladder)trans-132.5146.3-168-59-66.7-173.2-80.6-9.1112.4L43 N44 I58 H59 L83 T107L43-R47 WeakPolarHBondContact CA-O 3.48Å; N44-R47 PolarHBondContact N-O 2.87Å; N44-R47 VanDerWaalsContact N-O 3.11Å; N44-R47 PolarHBondContact OD1-N 3.3Å; R47-I58 HydrophobicContact CG-CG2 4.49Å; R47-H59 CarbonylContact C-O 3.56Å; R47-H59 VanDerWaalsContact CA-O 3.25Å; R47-H59 WeakPolarHBondContact CA-O 3.5Å; R47-L83 HydrophobicContact CB-CD2 4.4Å; R47-T107 HydrophobicContact CG-CG2 4.22Å
48V94.2Very high95.8Very high0 Ų037.7 Ų37.70%018%0.175CC..EExtended strand (participates in β ladder)trans-115.4117.3161.8-179.90000108.2V41 L43 V50 H59 I61 M64V41-V48 HydrophobicContact CG1-CG1 3.99Å; L43-V48 HydrophobicContact CD2-CB 4.5Å; L43-V48 HydrophobicContact CD2-CG1 4.33Å; L43-V48 HydrophobicContact CD2-CG2 3.67Å; L43-V48 HydrophobicContact CG-CG1 4.41Å; L43-V48 HydrophobicContact CG-CG2 4.27Å; V48-V50 HydrophobicContact CG1-CG2 4.21Å; V48-H59 HydrophobicContact CB-CB 4.36Å; V48-H59 PolarHBondContact N-O 3.4Å; V48-H59 PolarHBondContact O-N 3.2Å; V48-H59 PolarHBondContact O-ND1 3.48Å; V48-I61 HydrophobicContact CG2-CB 4.03Å; V48-I61 HydrophobicContact CG2-CD1 4.16Å; V48-I61 HydrophobicContact CG2-CG1 3.79Å; V48-M64 HydrophobicContact CB-CE 4.48Å; V48-M64 HydrophobicContact CB-SD 3.9Å; V48-M64 HydrophobicContact CG1-CE 4.27Å; V48-M64 HydrophobicContact CG1-SD 4.18Å; V48-M64 HydrophobicContact CG2-SD 3.71Å
49V96.3Very high95.6Very high0 Ų036.9 Ų36.90%017%0.171CC..EExtended strand (participates in β ladder)trans-101.7125.1175.91750000108.6V41 R42 I56 C57 I58 L83 L91V41-V49 CarbonylContact C-O 3.56Å; V41-V49 WeakPolarHBondContact CA-O 3.25Å; R42-V49 HydrophobicContact CB-CB 4.27Å; R42-V49 PolarHBondContact N-O 2.79Å; R42-V49 PolarHBondContact O-N 2.98Å; V49-I56 HydrophobicContact CG1-CG2 3.43Å; V49-I56 VanDerWaalsContact CG1-CG2 3.43Å; V49-C57 WeakPolarHBondContact CA-O 3.35Å; V49-I58 HydrophobicContact CG2-CG1 4.39Å; V49-I58 HydrophobicContact CG2-CG2 4.44Å; V49-L83 HydrophobicContact CG2-CD1 4.07Å; V49-L83 HydrophobicContact CG2-CD2 3.93Å; V49-L83 HydrophobicContact CG2-CG 4.49Å; V49-L91 HydrophobicContact CG1-CD1 3.91Å; V49-L91 HydrophobicContact CG1-CD2 4.15Å; V49-L91 HydrophobicContact CG2-CD1 4.49Å
50V97.1Very high95.4Very high0 Ų035.8 Ų35.80%017%0.165CC..EExtended strand (participates in β ladder)trans-113.5115.5175.8179.10000108.1Y34 I38 V48 L52 I56 C57Y34-V50 HydrophobicContact CD1-CG1 4.39Å; Y34-V50 HydrophobicContact CD2-CG1 4.17Å; Y34-V50 HydrophobicContact CE1-CB 4.27Å; Y34-V50 HydrophobicContact CE1-CG1 4.11Å; Y34-V50 HydrophobicContact CE2-CB 4.41Å; Y34-V50 HydrophobicContact CE2-CG1 3.84Å; Y34-V50 HydrophobicContact CE2-CG2 4.16Å; Y34-V50 HydrophobicContact CG-CG1 4.44Å; Y34-V50 WeakPolarHBondContact OH-CG2 3.45Å; I38-V50 HydrophobicContact CB-CG1 4.37Å; I38-V50 HydrophobicContact CD1-CG1 4.29Å; I38-V50 HydrophobicContact CG1-CG1 3.86Å; I38-V50 HydrophobicContact CG2-CG1 3.77Å; V48-V50 HydrophobicContact CG1-CG2 4.21Å; V50-L52 HydrophobicContact CG1-CD2 4.16Å; V50-I56 WeakPolarHBondContact O-CA 3.15Å; V50-C57 HydrophobicContact CB-CB 4.42Å; V50-C57 PolarHBondContact N-O 3.37Å; V50-C57 PolarHBondContact O-N 3.49Å
51C97.6Very high95.1Very high0 Ų036.2 Ų36.20%017%0.166CC..EExtended strand (participates in β ladder)trans-93120177.9-163.80000109.6L39 A40L39-C51 PolarHBondContact N-O 3.34Å; A40-C51 HydrophobicContact CB-CB 4Å; A40-C51 PolarHBondContact N-O 2.83Å; A40-C51 PolarHBondContact O-N 2.92Å
52L97.4Very high94.7Very high7 Ų745.6 Ų45.64%0.03720%0.198CC..  trans-99.5-178.8164.8-49-178.3000108.1Y34 I38 V50 S55Y34-L52 HydrophobicContact CD1-CD1 4.44Å; Y34-L52 HydrophobicContact CG-CD2 4.39Å; I38-L52 HydrophobicContact CG1-CD2 4.13Å; V50-L52 HydrophobicContact CG1-CD2 4.16Å; L52-S55 WeakPolarHBondContact CA-O 3.38Å; L52-S55 WeakPolarHBondContact CB-O 3.27Å; L52-S55 PolarHBondContact N-O 2.99Å
53E96.4Very high94.4Very high87 Ų8745.7 Ų45.741%0.40721%0.205SC..SBendtrans-66.8-41.7-178-170.2170.9176.700113.3L39 S75 N76L39-E53 HydrophobicContact CD1-CB 3.93Å; L39-E53 HydrophobicContact CD1-CG 4.47Å; E53-S75 PolarHBondContact OE1-OG 2.83Å; E53-N76 PolarHBondContact O-N 3.11Å
54E96.6Very high94.2Very high118 Ų11843.4 Ų43.455%0.55119%0.193SC*.SBendtrans-125.613.9-174.5-60.2-178.9164.800112.9T73E54-T73 WeakPolarHBondContact CA-OG1 3.29Å; E54-T73 PolarHBondContact O-N 3Å; E54-T73 PolarHBondContact O-OG1 3.25Å
55S97.1Very high94.3Very high23 Ų2349.8 Ų49.816%0.16122%0.221CC..  trans-157.3156.2174.151.90000112.4L52 I70 T73L52-S55 WeakPolarHBondContact CA-O 3.38Å; L52-S55 WeakPolarHBondContact CB-O 3.27Å; L52-S55 PolarHBondContact N-O 2.99Å; S55-I70 VanDerWaalsContact CA-O 3.29Å; S55-I70 WeakPolarHBondContact CA-O 3.36Å; S55-I70 WeakPolarHBondContact CB-O 3.32Å; S55-T73 PolarHBondContact N-OG1 2.6Å
56I97.5Very high94.5Very high1 Ų146.3 Ų46.31%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-125.6123.6176-58.8170.1000109.2V49 V50 I69 I70 T73 L91 Y93V49-I56 HydrophobicContact CG1-CG2 3.43Å; V49-I56 VanDerWaalsContact CG1-CG2 3.43Å; V50-I56 WeakPolarHBondContact O-CA 3.15Å; I56-I69 WeakPolarHBondContact O-CA 3.17Å; I56-I70 HydrophobicContact CB-CB 4.31Å; I56-I70 HydrophobicContact CB-CD1 4.46Å; I56-I70 PolarHBondContact N-O 2.89Å; I56-I70 PolarHBondContact O-N 2.78Å; I56-T73 HydrophobicContact CD1-CG2 4.41Å; I56-T73 HydrophobicContact CG1-CG2 4.39Å; I56-L91 HydrophobicContact CD1-CD2 4.4Å; I56-L91 HydrophobicContact CG2-CD2 3.83Å; I56-Y93 HydrophobicContact CD1-CD1 3.93Å; I56-Y93 HydrophobicContact CD1-CD2 4.03Å; I56-Y93 HydrophobicContact CD1-CG 3.6Å
57C97Very high94.6Very high10 Ų1047.1 Ų47.17%0.06822%0.219CC..EExtended strand (participates in β ladder)trans-101.9127.1179-56.70000110.5Y34 V49 V50 H59 L66Y34-C57 HydrophobicContact CE1-CB 3.95Å; V49-C57 WeakPolarHBondContact CA-O 3.35Å; V50-C57 HydrophobicContact CB-CB 4.42Å; V50-C57 PolarHBondContact N-O 3.37Å; V50-C57 PolarHBondContact O-N 3.49Å; C57-H59 WeakPolarHBondContact CB-CE1 3.29Å; C57-H59 PolarHBondContact O-ND1 2.82Å; C57-L66 HydrophobicContact CB-CD1 4.05Å
58I96.3Very high94.7Very high0 Ų048.2 Ų48.20%023%0.226CC..EExtended strand (participates in β ladder)trans-111123.2-178.6-51.5179.5000108.9R47 V49 L67 H68 I70 L91 F105 T107R47-I58 HydrophobicContact CG-CG2 4.49Å; V49-I58 HydrophobicContact CG2-CG1 4.39Å; V49-I58 HydrophobicContact CG2-CG2 4.44Å; I58-L67 PolarHBondContact O-N 2.87Å; I58-H68 HydrophobicContact CB-CB 4.38Å; I58-H68 HydrophobicContact CD1-CB 4.49Å; I58-H68 PolarHBondContact N-O 3.47Å; I58-H68 PolarHBondContact O-N 3.21Å; I58-I70 HydrophobicContact CD1-CD1 4.38Å; I58-L91 HydrophobicContact CD1-CD2 4.15Å; I58-F105 HydrophobicContact CD1-CD1 3.92Å; I58-F105 HydrophobicContact CD1-CE1 3.87Å; I58-T107 HydrophobicContact CD1-CG2 4.39Å; I58-T107 HydrophobicContact CG2-CG2 4.25Å
59H94.9Very high94.8Very high3 Ų350.5 Ų50.51%0.01424%0.238CC..EExtended strand (participates in β ladder)trans-120.2155.6-178-50.372.6000110.7Y34 R47 V48 C57 M64 K65Y34-H59 AromaticContact CE1-CE1 3.71Å; Y34-H59 AromaticContact CE1-NE2 3.8Å; Y34-H59 AromaticContact CZ-CE1 3.71Å; Y34-H59 AromaticContact CZ-NE2 3.82Å; Y34-H59 PolarHBondContact OH-CE1 3.21Å; Y34-H59 PolarHBondContact OH-NE2 3.24Å; R47-H59 CarbonylContact C-O 3.56Å; R47-H59 VanDerWaalsContact CA-O 3.25Å; R47-H59 WeakPolarHBondContact CA-O 3.5Å; V48-H59 HydrophobicContact CB-CB 4.36Å; V48-H59 PolarHBondContact N-O 3.4Å; V48-H59 PolarHBondContact O-N 3.2Å; V48-H59 PolarHBondContact O-ND1 3.48Å; C57-H59 WeakPolarHBondContact CB-CE1 3.29Å; C57-H59 PolarHBondContact O-ND1 2.82Å; H59-M64 HydrophobicContact CB-CE 4.24Å; H59-M64 HydrophobicContact CB-SD 4.26Å; H59-M64 PolarHBondContact CD2-O 3.27Å; H59-K65 CarbonylContact C-O 3.54Å; H59-K65 WeakPolarHBondContact CA-O 3.46Å
60N92.9Very high94.8Very high41 Ų4151.2 Ų51.222%0.21924%0.242CC..EExtended strand (participates in β ladder)trans-73.8133.7165.1-178.4-39.2000109.2R62 D63 M64 K65 L67N60-R62 VanDerWaalsContact C-N 3.32Å; N60-R62 PolarHBondContact O-N 2.99Å; N60-R62 WeakPolarHBondContact OD1-CB 3.2Å; N60-R62 PolarHBondContact OD1-N 2.89Å; N60-D63 VanDerWaalsContact CB-OD1 3.24Å; N60-D63 WeakPolarHBondContact CB-OD1 3.08Å; N60-M64 WeakPolarHBondContact O-CA 3.27Å; N60-M64 PolarHBondContact O-N 2.87Å; N60-K65 PolarHBondContact N-O 2.94Å; N60-L67 HydrophobicContact CB-CD1 3.99Å; N60-L67 HydrophobicContact CB-CD2 4.11Å; N60-L67 HydrophobicContact CB-CG 4.13Å
61I89.9Confident94.6Very high22 Ų2259.5 Ų59.511%0.11327%0.273CS..THydrogen-bonded Turntrans-70.5-24.9-176.8-168.2161.5000115M1 L6 L43 N44 R45 Q46 V48M1-I61 HydrophobicContact CE-CD1 3.04Å; M1-I61 HydrophobicContact SD-CD1 4.35Å; L6-I61 HydrophobicContact CD2-CD1 3.89Å; L6-I61 HydrophobicContact CD2-CG1 4.05Å; L43-I61 HydrophobicContact CD2-CD1 4.22Å; N44-I61 VanDerWaalsContact O-CD1 3.27Å; N44-I61 WeakPolarHBondContact O-CD1 3.12Å; R45-I61 WeakPolarHBondContact O-CG2 3.37Å; Q46-I61 VanDerWaalsContact C-CG2 3.49Å; Q46-I61 PolarHBondContact O-N 3.27Å; Q46-I61 VanDerWaalsContact O-N 3.11Å; V48-I61 HydrophobicContact CG2-CB 4.03Å; V48-I61 HydrophobicContact CG2-CD1 4.16Å; V48-I61 HydrophobicContact CG2-CG1 3.79Å
62R87.3Confident94.4Very high227 Ų22766.8 Ų66.886%0.85731%0.312SS*.THydrogen-bonded Turntrans-76.5-40.1-173.5-64.5-176.4-179.9177.20.8112.4N60N60-R62 VanDerWaalsContact C-N 3.32Å; N60-R62 PolarHBondContact O-N 2.99Å; N60-R62 WeakPolarHBondContact OD1-CB 3.2Å; N60-R62 PolarHBondContact OD1-N 2.89Å
63D89.3Confident94.3Very high96 Ų9667.1 Ų67.151%0.51331%0.314SS..THydrogen-bonded Turntrans-122.40.3-173.461.82.9000113N60 K65N60-D63 VanDerWaalsContact CB-OD1 3.24Å; N60-D63 WeakPolarHBondContact CB-OD1 3.08Å; D63-K65 PolarHBondContact O-N 3.41Å; D63-K65 VanDerWaalsContact O-N 3.07Å; D63-K65 VanDerWaalsContact OD1-CB 3.23Å; D63-K65 WeakPolarHBondContact OD1-CB 3.05Å; D63-K65 PolarHBondContact OD1-N 2.63Å
64M91Very high94.3Very high13 Ų1364.8 Ų64.86%0.06431%0.307CS..  trans53.919.9-172.2-78.2-61.8-65.500114.2V18 V20 C30 Q32 V48 H59 N60 L66V18-M64 HydrophobicContact CG1-CE 3.98Å; V20-M64 HydrophobicContact CG2-CG 4.06Å; V20-M64 HydrophobicContact CG2-SD 3.99Å; C30-M64 HydrophobicContact CB-CG 4.49Å; C30-M64 WeakPolarHBondContact SG-CG 3.44Å; Q32-M64 HydrophobicContact CB-CE 4.39Å; V48-M64 HydrophobicContact CB-CE 4.48Å; V48-M64 HydrophobicContact CB-SD 3.9Å; V48-M64 HydrophobicContact CG1-CE 4.27Å; V48-M64 HydrophobicContact CG1-SD 4.18Å; V48-M64 HydrophobicContact CG2-SD 3.71Å; H59-M64 HydrophobicContact CB-CE 4.24Å; H59-M64 HydrophobicContact CB-SD 4.26Å; H59-M64 PolarHBondContact CD2-O 3.27Å; N60-M64 WeakPolarHBondContact O-CA 3.27Å; N60-M64 PolarHBondContact O-N 2.87Å; M64-L66 PolarHBondContact O-N 2.92Å
65K93.8Very high94.3Very high136 Ų13661.5 Ų61.559%0.59130%0.297SS*.  trans-64.6128.6176-176.5178.9178.4-179.10109.6H59 N60 D63 L67H59-K65 CarbonylContact C-O 3.54Å; H59-K65 WeakPolarHBondContact CA-O 3.46Å; N60-K65 PolarHBondContact N-O 2.94Å; D63-K65 PolarHBondContact O-N 3.41Å; D63-K65 VanDerWaalsContact O-N 3.07Å; D63-K65 VanDerWaalsContact OD1-CB 3.23Å; D63-K65 WeakPolarHBondContact OD1-CB 3.05Å; D63-K65 PolarHBondContact OD1-N 2.63Å; K65-L67 PolarHBondContact O-N 2.94Å
66L94.9Very high94.3Very high84 Ų8460.9 Ų60.944%0.4429%0.292SS..EExtended strand (participates in β ladder)trans-63.2120.4171.8179.970.8000109.6C57 M64 H68 I69C57-L66 HydrophobicContact CB-CD1 4.05Å; M64-L66 PolarHBondContact O-N 2.92Å; L66-H68 WeakPolarHBondContact CD1-O 3.19Å; L66-I69 HydrophobicContact CD1-CD1 4.49Å; L66-I69 HydrophobicContact CD1-CG1 3.82Å; L66-I69 HydrophobicContact CD2-CD1 3.67Å; L66-I69 HydrophobicContact CD2-CG1 3.8Å; L66-I69 HydrophobicContact CG-CG1 4.24Å
67L95.3Very high94.2Very high76 Ų7664.5 Ų64.540%0.39832%0.315SS..EExtended strand (participates in β ladder)trans-96.8-43.3178.6-59.2-179.4000111.3I58 N60 K65I58-L67 PolarHBondContact O-N 2.87Å; N60-L67 HydrophobicContact CB-CD1 3.99Å; N60-L67 HydrophobicContact CB-CD2 4.11Å; N60-L67 HydrophobicContact CB-CG 4.13Å; K65-L67 PolarHBondContact O-N 2.94Å
68H95.7Very high94.1Very high68 Ų6870.2 Ų70.232%0.31535%0.345SS..EExtended strand (participates in β ladder)trans-153.2152.1-175.4-162.577.2000111.4I58 L66 F105I58-H68 HydrophobicContact CB-CB 4.38Å; I58-H68 HydrophobicContact CD1-CB 4.49Å; I58-H68 PolarHBondContact N-O 3.47Å; I58-H68 PolarHBondContact O-N 3.21Å; L66-H68 WeakPolarHBondContact CD1-O 3.19Å; H68-F105 AromaticContact CD2-CE1 3.77Å; H68-F105 AromaticContact CD2-CZ 3.58Å; H68-F105 AromaticContact NE2-CZ 3.49Å; H68-F105 WeakPolarHBondContact NE2-CZ 3.45Å
69I96.1Very high94.1Very high48 Ų4870.3 Ų70.325%0.24635%0.346CS..EExtended strand (participates in β ladder)trans-125.8118.1169-57.8172.7000107.3I56 L66 R71I56-I69 WeakPolarHBondContact O-CA 3.17Å; L66-I69 HydrophobicContact CD1-CD1 4.49Å; L66-I69 HydrophobicContact CD1-CG1 3.82Å; L66-I69 HydrophobicContact CD2-CD1 3.67Å; L66-I69 HydrophobicContact CD2-CG1 3.8Å; L66-I69 HydrophobicContact CG-CG1 4.24Å; I69-R71 HydrophobicContact CB-CG 4.33Å; I69-R71 HydrophobicContact CG2-CG 3.68Å; I69-R71 PolarHBondContact O-N 3.5Å
70I96.6Very high94.3Very high15 Ų1571.3 Ų71.38%0.07735%0.352CS..EExtended strand (participates in β ladder)trans-78.9106.2164.6-50.3179000105.9S55 I56 I58 T73 L91 Y93 F105S55-I70 VanDerWaalsContact CA-O 3.29Å; S55-I70 WeakPolarHBondContact CA-O 3.36Å; S55-I70 WeakPolarHBondContact CB-O 3.32Å; I56-I70 HydrophobicContact CB-CB 4.31Å; I56-I70 HydrophobicContact CB-CD1 4.46Å; I56-I70 PolarHBondContact N-O 2.89Å; I56-I70 PolarHBondContact O-N 2.78Å; I58-I70 HydrophobicContact CD1-CD1 4.38Å; I70-T73 HydrophobicContact CB-CG2 4.22Å; I70-T73 HydrophobicContact CG2-CG2 3.58Å; I70-L91 HydrophobicContact CD1-CD2 3.89Å; I70-Y93 HydrophobicContact CD1-CD1 4.45Å; I70-Y93 HydrophobicContact CD1-CE1 3.72Å; I70-F105 HydrophobicContact CD1-CB 4.25Å; I70-F105 HydrophobicContact CD1-CD1 3.72Å; I70-F105 HydrophobicContact CD1-CD2 4.06Å; I70-F105 HydrophobicContact CD1-CE1 4.01Å; I70-F105 HydrophobicContact CD1-CE2 4.35Å; I70-F105 HydrophobicContact CD1-CG 3.76Å; I70-F105 HydrophobicContact CD1-CZ 4.34Å; I70-F105 HydrophobicContact CG1-CD1 4.33Å; I70-F105 HydrophobicContact CG1-CE1 4.1Å; I70-F105 HydrophobicContact CG1-CE2 4.41Å; I70-F105 HydrophobicContact CG1-CZ 4.17Å
71R94.3Very high94.5Very high174 Ų17469.4 Ų69.466%0.65734%0.342SS*.  trans-90.2162177.9-63.1179.2-177.9-101.50.7109.8I69 T73I69-R71 HydrophobicContact CB-CG 4.33Å; I69-R71 HydrophobicContact CG2-CG 3.68Å; I69-R71 PolarHBondContact O-N 3.5Å; R71-T73 PolarHBondContact O-N 3.46Å
72D91.9Very high94.9Very high153 Ų15369 Ų6982%0.81834%0.339SS*.SBendtrans56.535.9172.4-46.3-44.7000112.9
73T95.6Very high95.4Very high14 Ų1458.7 Ų58.79%0.08630%0.301CS..PPolyproline II helixtrans-69146.9171.565.90000108.7E54 S55 I56 I70 R71 Y93E54-T73 WeakPolarHBondContact CA-OG1 3.29Å; E54-T73 PolarHBondContact O-N 3Å; E54-T73 PolarHBondContact O-OG1 3.25Å; S55-T73 PolarHBondContact N-OG1 2.6Å; I56-T73 HydrophobicContact CD1-CG2 4.41Å; I56-T73 HydrophobicContact CG1-CG2 4.39Å; I70-T73 HydrophobicContact CB-CG2 4.22Å; I70-T73 HydrophobicContact CG2-CG2 3.58Å; R71-T73 PolarHBondContact O-N 3.46Å; T73-Y93 HydrophobicContact CG2-CD2 4.38Å; T73-Y93 HydrophobicContact CG2-CE2 4.08Å
74P96.4Very high95.7Very high38 Ų3854.2 Ų54.225%0.24728%0.277CS..PPolyproline II helixtrans-52.7151.1170.2-17.225000111.2N76 G95 A97P74-N76 PolarHBondContact O-N 2.83Å; P74-N76 VanDerWaalsContact O-N 3.11Å; P74-G95 WeakPolarHBondContact CG-O 3.24Å; P74-A97 HydrophobicContact CB-CB 4.27Å
75S96.7Very high95.8Very high50 Ų5055.6 Ų55.635%0.3529%0.291SS..PPolyproline II helixtrans-51.7119.9176.7175.90000110.6E53 P77E53-S75 PolarHBondContact OE1-OG 2.83Å; S75-P77 VanDerWaalsContact C-CD 3.47Å; S75-P77 WeakPolarHBondContact O-CD 3.33Å
76N96.9Very high95.5Very high10 Ų1050.3 Ų50.35%0.05327%0.271CS..  trans-125.467-177.5-174.59.8000110.3L39 E53 P74 N78 G79 L80L39-N76 WeakPolarHBondContact CD1-O 3.37Å; E53-N76 PolarHBondContact O-N 3.11Å; P74-N76 PolarHBondContact O-N 2.83Å; P74-N76 VanDerWaalsContact O-N 3.11Å; N76-N78 PolarHBondContact O-N 2.87Å; N76-N78 VanDerWaalsContact O-N 3.09Å; N76-G79 PolarHBondContact O-N 3.1Å; N76-G79 PolarHBondContact OD1-N 2.91Å; N76-L80 PolarHBondContact ND2-N 3.29Å; N76-L80 PolarHBondContact ND2-O 3.06Å; N76-L80 PolarHBondContact OD1-N 2.71Å
77P96.1Very high95Very high77 Ų7751.6 Ų51.650%0.528%0.278SS..THydrogen-bonded Turntrans-65.2-18.8-170.926.9-36.3000113.7S75S75-P77 VanDerWaalsContact C-CD 3.47Å; S75-P77 WeakPolarHBondContact O-CD 3.33Å
78N94.8Very high94.7Very high130 Ų13051.6 Ų51.670%0.69528%0.282SS*.THydrogen-bonded Turntrans-91.5-2177-66.6-46000113.3N76 L80N76-N78 PolarHBondContact O-N 2.87Å; N76-N78 VanDerWaalsContact O-N 3.09Å; N78-L80 PolarHBondContact O-N 2.88Å
79G96.6Very high94.7Very high2 Ų248.4 Ų48.42%0.02127%0.267CS..  trans59.934.5-175.900000112.8A40 N76 C81A40-G79 WeakPolarHBondContact CB-O 3.46Å; N76-G79 PolarHBondContact O-N 3.1Å; N76-G79 PolarHBondContact OD1-N 2.91Å; G79-C81 PolarHBondContact O-N 3.14Å
80L97.8Very high94.7Very high24 Ų2448 Ų4813%0.12626%0.262CS..  trans-68.6107.2-177.2-179.260.9000109.5N76 N78 P94 L121 L124N76-L80 PolarHBondContact ND2-N 3.29Å; N76-L80 PolarHBondContact ND2-O 3.06Å; N76-L80 PolarHBondContact OD1-N 2.71Å; N78-L80 PolarHBondContact O-N 2.88Å; L80-P94 HydrophobicContact CB-CG 4.25Å; L80-P94 HydrophobicContact CD2-CG 4.07Å; L80-P94 HydrophobicContact CG-CG 4.32Å; L80-P94 WeakPolarHBondContact O-CD 3.42Å; L80-L121 HydrophobicContact CD2-CB 3.61Å; L80-L124 HydrophobicContact CD1-CB 4.2Å; L80-L124 HydrophobicContact CD1-CG 4.4Å; L80-L124 HydrophobicContact CD2-CD1 4.3Å; L80-L124 HydrophobicContact CD2-CG 4.19Å; L80-L124 HydrophobicContact CG-CD1 4.14Å; L80-L124 HydrophobicContact CG-CG 4.25Å
81C97.9Very high94.8Very high1 Ų147.3 Ų47.31%0.00726%0.259CS..  trans-155.9157.4168.567.40000110.5R42 G79 L91 A92R42-C81 PolarHBondContact NE-O 3.38Å; R42-C81 PolarHBondContact NH2-O 3.08Å; G79-C81 PolarHBondContact O-N 3.14Å; C81-L91 HydrophobicContact CB-CD1 4.12Å; C81-A92 WeakPolarHBondContact CA-O 3.33Å; C81-A92 WeakPolarHBondContact CB-O 3.39Å
82D98.1Very high95Very high12 Ų1239 Ų396%0.06423%0.227CC..EExtended strand (participates in β ladder)trans-138148.5170.1-16027.4000111.3L91 A92 K125 F126D82-L91 WeakPolarHBondContact O-CA 3.43Å; D82-L91 WeakPolarHBondContact O-CD1 3.46Å; D82-A92 PolarHBondContact N-O 3.42Å; D82-A92 PolarHBondContact O-N 3.49Å; D82-K125 IonicContact OD1-NZ 2.7Å; D82-K125 PolarHBondContact OD1-NZ 3.41Å; D82-K125 VanDerWaalsContact OD2-CA 3.28Å; D82-K125 WeakPolarHBondContact OD2-CA 3.44Å; D82-K125 WeakPolarHBondContact OD2-CD 3.34Å; D82-K125 IonicContact OD2-NZ 2.76Å; D82-K125 PolarHBondContact OD2-NZ 2.94Å; D82-F126 HydrophobicContact CB-CD2 4.09Å; D82-F126 WeakPolarHBondContact O-CE2 3.17Å; D82-F126 PolarHBondContact OD2-N 3.41Å
83L97.5Very high95.3Very high12 Ų1232.3 Ų32.36%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-123.3131.4-177178.967.8000108.5R42 N44 R47 V49 S89 L91R42-L83 HydrophobicContact CB-CB 3.75Å; R42-L83 HydrophobicContact CB-CD2 4.32Å; N44-L83 HydrophobicContact CB-CD2 4.02Å; N44-L83 HydrophobicContact CB-CG 4.42Å; R47-L83 HydrophobicContact CB-CD2 4.4Å; V49-L83 HydrophobicContact CG2-CD1 4.07Å; V49-L83 HydrophobicContact CG2-CD2 3.93Å; V49-L83 HydrophobicContact CG2-CG 4.49Å; L83-S89 WeakPolarHBondContact CD1-O 3.47Å; L83-L91 HydrophobicContact CD1-CB 4.36Å
84T96.7Very high95.4Very high1 Ų132.3 Ų32.31%0.00619%0.191CC..  trans-64.4144.2175.860.30000111.5N44 S86 S89 Y90 F126 G130N44-T84 WeakPolarHBondContact CB-O 3.49Å; N44-T84 PolarHBondContact ND2-O 3.12Å; T84-S86 PolarHBondContact O-N 3.11Å; T84-S86 PolarHBondContact OG1-OG 2.86Å; T84-S89 WeakPolarHBondContact OG1-CA 3.45Å; T84-S89 PolarHBondContact OG1-N 2.9Å; T84-Y90 PolarHBondContact N-O 3.48Å; T84-Y90 PolarHBondContact OG1-N 2.88Å; T84-Y90 PolarHBondContact OG1-O 3.14Å; T84-F126 HydrophobicContact CG2-CB 3.92Å; T84-F126 HydrophobicContact CG2-CD1 3.56Å; T84-F126 HydrophobicContact CG2-CD2 3.6Å; T84-F126 HydrophobicContact CG2-CE1 3.83Å; T84-F126 HydrophobicContact CG2-CE2 3.85Å; T84-F126 HydrophobicContact CG2-CG 3.43Å; T84-F126 VanDerWaalsContact CG2-CG 3.43Å; T84-F126 HydrophobicContact CG2-CZ 3.96Å; T84-G130 VanDerWaalsContact CG2-CA 3.44Å
85A92.4Very high95.5Very high43 Ų4331 Ų3136%0.35519%0.185SC..SBendtrans-73.3-18.8172.600000112.6F2F2-A85 HydrophobicContact CE1-CB 4.38Å; F2-A85 HydrophobicContact CZ-CB 3.91Å
86S86.9Confident95.5Very high25 Ų2530 Ų3018%0.17518%0.177CC..SBendtrans-64.5161.117981.50000112.9N44 T84 V88 S89 D129N44-S86 PolarHBondContact ND2-O 2.9Å; T84-S86 PolarHBondContact O-N 3.11Å; T84-S86 PolarHBondContact OG1-OG 2.86Å; S86-V88 VanDerWaalsContact C-N 3.25Å; S86-V88 PolarHBondContact O-N 3.35Å; S86-V88 PolarHBondContact OG-N 2.91Å; S86-S89 PolarHBondContact O-N 2.82Å; S86-D129 WeakPolarHBondContact CB-O 3.37Å
87D85.9Confident95.5Very high110 Ų11031.1 Ų31.159%0.58819%0.189SC*.THydrogen-bonded Turntrans-65.1-27.7177.2-73.9-39.9000113.3Q46 S89Q46-D87 VanDerWaalsContact NE2-CG 3.34Å; Q46-D87 PolarHBondContact NE2-OD1 2.88Å; D87-S89 PolarHBondContact O-N 2.87Å; D87-S89 PolarHBondContact O-OG 2.84Å; D87-S89 VanDerWaalsContact O-OG 3.04Å
88V89Confident95.5Very high77 Ų7735.2 Ų35.247%0.46720%0.2SC..THydrogen-bonded Turntrans-62.3-25.8177.1-173.70000111.5S86 Y90S86-V88 VanDerWaalsContact C-N 3.25Å; S86-V88 PolarHBondContact O-N 3.35Å; S86-V88 PolarHBondContact OG-N 2.91Å; V88-Y90 VanDerWaalsContact C-N 3.29Å; V88-Y90 HydrophobicContact CB-CD2 4.42Å; V88-Y90 HydrophobicContact CB-CE2 4.3Å; V88-Y90 HydrophobicContact CG1-CD1 4.05Å; V88-Y90 HydrophobicContact CG1-CD2 3.89Å; V88-Y90 HydrophobicContact CG1-CE1 3.68Å; V88-Y90 HydrophobicContact CG1-CE2 3.54Å; V88-Y90 HydrophobicContact CG1-CG 4.13Å; V88-Y90 VanDerWaalsContact CG1-CZ 3.42Å; V88-Y90 PolarHBondContact O-N 3.38Å
89S94.3Very high95.6Very high0 Ų030.9 Ų30.90%018%0.181CC..  trans58.933.8172.4-54.60000114.5N44 L83 T84 S86 D87 L91 T107N44-S89 WeakPolarHBondContact ND2-CB 3.48Å; N44-S89 PolarHBondContact ND2-OG 3.02Å; L83-S89 WeakPolarHBondContact CD1-O 3.47Å; T84-S89 WeakPolarHBondContact OG1-CA 3.45Å; T84-S89 PolarHBondContact OG1-N 2.9Å; S86-S89 PolarHBondContact O-N 2.82Å; D87-S89 PolarHBondContact O-N 2.87Å; D87-S89 PolarHBondContact O-OG 2.84Å; D87-S89 VanDerWaalsContact O-OG 3.04Å; S89-L91 PolarHBondContact O-N 2.9Å; S89-T107 VanDerWaalsContact O-CG2 3.22Å; S89-T107 WeakPolarHBondContact O-CG2 3.33Å
90Y97.4Very high95.6Very high40 Ų4030.8 Ų30.816%0.15718%0.18CC..  trans-53.7132.4172.6-68.4-52.4000111.3T84 V88 I104 F105 D106 V111 F126 I148T84-Y90 PolarHBondContact N-O 3.48Å; T84-Y90 PolarHBondContact OG1-N 2.88Å; T84-Y90 PolarHBondContact OG1-O 3.14Å; V88-Y90 VanDerWaalsContact C-N 3.29Å; V88-Y90 HydrophobicContact CB-CD2 4.42Å; V88-Y90 HydrophobicContact CB-CE2 4.3Å; V88-Y90 HydrophobicContact CG1-CD1 4.05Å; V88-Y90 HydrophobicContact CG1-CD2 3.89Å; V88-Y90 HydrophobicContact CG1-CE1 3.68Å; V88-Y90 HydrophobicContact CG1-CE2 3.54Å; V88-Y90 HydrophobicContact CG1-CG 4.13Å; V88-Y90 VanDerWaalsContact CG1-CZ 3.42Å; V88-Y90 PolarHBondContact O-N 3.38Å; Y90-I104 HydrophobicContact CD1-CG2 3.96Å; Y90-I104 HydrophobicContact CG-CG2 4.12Å; Y90-F105 CarbonylContact C-O 3.56Å; Y90-F105 WeakPolarHBondContact CA-O 3.39Å; Y90-D106 HydrophobicContact CD1-CB 4.03Å; Y90-D106 HydrophobicContact CE1-CB 3.87Å; Y90-V111 HydrophobicContact CD1-CG2 4.2Å; Y90-V111 HydrophobicContact CE1-CB 4.42Å; Y90-V111 HydrophobicContact CE1-CG1 4.14Å; Y90-V111 HydrophobicContact CE1-CG2 3.79Å; Y90-F126 WeakPolarHBondContact O-CE2 3.47Å; Y90-I148 HydrophobicContact CD2-CG2 3.79Å; Y90-I148 HydrophobicContact CE2-CG2 3.96Å; Y90-I148 HydrophobicContact CG-CG2 4.37Å
91L98Very high95.6Very high0 Ų032 Ų320%018%0.184CC..EExtended strand (participates in β ladder)trans-111.3127176169.864.3000108.5V49 I56 I58 I70 C81 D82 L83 S89 Y93 I104 F105V49-L91 HydrophobicContact CG1-CD1 3.91Å; V49-L91 HydrophobicContact CG1-CD2 4.15Å; V49-L91 HydrophobicContact CG2-CD1 4.49Å; I56-L91 HydrophobicContact CD1-CD2 4.4Å; I56-L91 HydrophobicContact CG2-CD2 3.83Å; I58-L91 HydrophobicContact CD1-CD2 4.15Å; I70-L91 HydrophobicContact CD1-CD2 3.89Å; C81-L91 HydrophobicContact CB-CD1 4.12Å; D82-L91 WeakPolarHBondContact O-CA 3.43Å; D82-L91 WeakPolarHBondContact O-CD1 3.46Å; L83-L91 HydrophobicContact CD1-CB 4.36Å; S89-L91 PolarHBondContact O-N 2.9Å; L91-Y93 HydrophobicContact CD2-CD1 4.33Å; L91-Y93 HydrophobicContact CG-CD1 4.14Å; L91-I104 CarbonylContact O-C 3.53Å; L91-I104 WeakPolarHBondContact O-CA 3.38Å; L91-F105 HydrophobicContact CB-CB 4.42Å; L91-F105 PolarHBondContact N-O 3.31Å; L91-F105 PolarHBondContact O-N 3.19Å
92A98.4Very high95.7Very high0 Ų031.9 Ų31.90%018%0.184CC..EExtended strand (participates in β ladder)trans-107.9133.717300000110.1C81 D82 V102 H103 I104 L124 F126 L133C81-A92 WeakPolarHBondContact CA-O 3.33Å; C81-A92 WeakPolarHBondContact CB-O 3.39Å; D82-A92 PolarHBondContact N-O 3.42Å; D82-A92 PolarHBondContact O-N 3.49Å; A92-V102 HydrophobicContact CB-CG1 4.18Å; A92-H103 WeakPolarHBondContact CA-O 3.22Å; A92-I104 HydrophobicContact CB-CD1 3.69Å; A92-L124 HydrophobicContact CB-CD1 4.39Å; A92-F126 HydrophobicContact CB-CD2 4.36Å; A92-F126 HydrophobicContact CB-CE2 3.43Å; A92-F126 VanDerWaalsContact CB-CE2 3.43Å; A92-F126 HydrophobicContact CB-CZ 3.58Å; A92-L133 HydrophobicContact CB-CD1 3.94Å; A92-L133 HydrophobicContact CB-CD2 4.08Å
93Y98.2Very high95.7Very high13 Ų1332.7 Ų32.75%0.05119%0.187CC..EExtended strand (participates in β ladder)trans-150.4161.4175.362.9-83.9000111I56 I70 T73 L91 G95 H103 F105I56-Y93 HydrophobicContact CD1-CD1 3.93Å; I56-Y93 HydrophobicContact CD1-CD2 4.03Å; I56-Y93 HydrophobicContact CD1-CG 3.6Å; I70-Y93 HydrophobicContact CD1-CD1 4.45Å; I70-Y93 HydrophobicContact CD1-CE1 3.72Å; T73-Y93 HydrophobicContact CG2-CD2 4.38Å; T73-Y93 HydrophobicContact CG2-CE2 4.08Å; L91-Y93 HydrophobicContact CD2-CD1 4.33Å; L91-Y93 HydrophobicContact CG-CD1 4.14Å; Y93-G95 PolarHBondContact O-N 3.43Å; Y93-H103 HydrophobicContact CD1-CB 4.34Å; Y93-H103 HydrophobicContact CD2-CB 4.26Å; Y93-H103 HydrophobicContact CE1-CB 3.82Å; Y93-H103 HydrophobicContact CE2-CB 3.71Å; Y93-H103 AromaticContact CE2-ND1 3.81Å; Y93-H103 VanDerWaalsContact CZ-CB 3.46Å; Y93-H103 AromaticContact CZ-ND1 3.94Å; Y93-H103 PolarHBondContact N-O 3.12Å; Y93-H103 VanDerWaalsContact N-O 3.12Å; Y93-H103 PolarHBondContact O-N 2.9Å; Y93-F105 HydrophobicContact CE1-CB 4.07Å
94P98.3Very high95.7Very high13 Ų1332.1 Ų32.18%0.08418%0.184CC..EExtended strand (participates in β ladder)trans-62.1127.4176.6-2434.1000113L80 S96 E101 L121L80-P94 HydrophobicContact CB-CG 4.25Å; L80-P94 HydrophobicContact CD2-CG 4.07Å; L80-P94 HydrophobicContact CG-CG 4.32Å; L80-P94 WeakPolarHBondContact O-CD 3.42Å; P94-S96 VanDerWaalsContact C-N 3.34Å; P94-E101 CarbonylContact C-O 3.54Å; P94-E101 WeakPolarHBondContact CA-O 3.35Å; P94-L121 HydrophobicContact CB-CD1 4.13Å; P94-L121 HydrophobicContact CG-CD1 4.18Å
95G97.5Very high95.7Very high12 Ų1232.7 Ų32.712%0.12419%0.187CC..SBendtrans-83.4-8.8171.600000113.9P74 Y93 E101 H103P74-G95 WeakPolarHBondContact CG-O 3.24Å; Y93-G95 PolarHBondContact O-N 3.43Å; G95-E101 PolarHBondContact N-O 2.93Å; G95-H103 WeakPolarHBondContact CA-NE2 3.41Å
96S97.3Very high95.8Very high27 Ų2733.1 Ų33.119%0.18918%0.183CC..  trans-148.8150.3174.1-178.10000111.2P94 H98 S99P94-S96 VanDerWaalsContact C-N 3.34Å; S96-H98 VanDerWaalsContact C-N 3.34Å; S96-H98 PolarHBondContact OG-N 2.87Å; S96-S99 WeakPolarHBondContact CB-OG 3.34Å; S96-S99 PolarHBondContact OG-N 2.79Å; S96-S99 PolarHBondContact OG-OG 2.91Å
97A96.6Very high95.7Very high35 Ų3532.7 Ų32.729%0.28918%0.18SC..SBendtrans-78.6-18.3171.700000112.9P74 A120P74-A97 HydrophobicContact CB-CB 4.27Å; A97-A120 WeakPolarHBondContact O-CB 3.36Å
98H96Very high95.8Very high162 Ų16229.9 Ų29.975%0.7517%0.172SC*.SBendtrans-119.5-26.8-170.2-52.9102000113.5S96 G119 A120S96-H98 VanDerWaalsContact C-N 3.34Å; S96-H98 PolarHBondContact OG-N 2.87Å; H98-G119 CarbonylContact O-C 3.5Å; H98-G119 WeakPolarHBondContact O-CA 3.45Å; H98-A120 PolarHBondContact O-N 2.87Å; H98-A120 VanDerWaalsContact O-N 3.13Å
99S96.7Very high96Very high40 Ų4031.1 Ų31.128%0.2818%0.175SC..SBendtrans-105.5165.8175.573.80000111S96 E101 G119S96-S99 WeakPolarHBondContact CB-OG 3.34Å; S96-S99 PolarHBondContact OG-N 2.79Å; S96-S99 PolarHBondContact OG-OG 2.91Å; S99-E101 PolarHBondContact O-N 3.4Å; S99-E101 VanDerWaalsContact O-N 3.15Å; S99-G119 CarbonylContact C-O 3.57Å
100G97.1Very high96.1Very high0 Ų034.9 Ų34.90%020%0.195CC..EExtended strand (participates in β ladder)trans-85.938178.500000112.9A116 H117 G119G100-A116 WeakPolarHBondContact O-CA 3.41Å; G100-A116 VanDerWaalsContact O-CB 3.26Å; G100-A116 WeakPolarHBondContact O-CB 3.25Å; G100-A116 PolarHBondContact O-N 2.76Å; G100-H117 WeakPolarHBondContact CA-O 3.28Å; G100-H117 PolarHBondContact N-O 2.98Å; G100-H117 PolarHBondContact O-N 2.57Å; G100-H117 VanDerWaalsContact O-N 3.09Å; G100-G119 WeakPolarHBondContact CA-O 3.3Å; G100-G119 PolarHBondContact N-O 3.36Å
101E98.3Very high96.1Very high48 Ų4835.6 Ų35.622%0.22420%0.204CC..EExtended strand (participates in β ladder)trans-77135.5178.1-171178165.600110.6P94 G95 S99 H103 I114 L121P94-E101 CarbonylContact C-O 3.54Å; P94-E101 WeakPolarHBondContact CA-O 3.35Å; G95-E101 PolarHBondContact N-O 2.93Å; S99-E101 PolarHBondContact O-N 3.4Å; S99-E101 VanDerWaalsContact O-N 3.15Å; E101-H103 IonicContact OE1-CD2 2.79Å; E101-H103 PolarHBondContact OE1-CD2 2.87Å; E101-H103 IonicContact OE1-CE1 3.94Å; E101-H103 IonicContact OE1-NE2 3.41Å; E101-H103 PolarHBondContact OE1-NE2 3.2Å; E101-I114 CarbonylContact C-O 3.57Å; E101-I114 WeakPolarHBondContact CA-O 3.44Å; E101-L121 WeakPolarHBondContact O-CD1 3.4Å
102V98.5Very high96Very high0 Ų036.9 Ų36.90%021%0.211CC..EExtended strand (participates in β ladder)trans-117.3129.9176.2-170.40000108.9A92 I104 M113 I114 A116 L121 L124 L133A92-V102 HydrophobicContact CB-CG1 4.18Å; V102-I104 HydrophobicContact CG1-CD1 3.88Å; V102-M113 CarbonylContact O-C 3.57Å; V102-M113 WeakPolarHBondContact O-CA 3.32Å; V102-I114 HydrophobicContact CB-CB 4.28Å; V102-I114 PolarHBondContact N-O 2.87Å; V102-I114 PolarHBondContact O-N 3.01Å; V102-A116 HydrophobicContact CG2-CB 3.75Å; V102-L121 HydrophobicContact CG2-CD1 3.66Å; V102-L121 HydrophobicContact CG2-CD2 4.31Å; V102-L124 HydrophobicContact CG1-CD1 4.25Å; V102-L124 HydrophobicContact CG1-CD2 4.2Å; V102-L124 HydrophobicContact CG2-CD2 3.91Å; V102-L133 HydrophobicContact CG1-CD2 3.75Å
103H98.2Very high96Very high28 Ų2842.2 Ų42.213%0.1324%0.238CC..EExtended strand (participates in β ladder)trans-100.2134.1169.1-72-175.7000110A92 Y93 G95 E101 L110A92-H103 WeakPolarHBondContact CA-O 3.22Å; Y93-H103 HydrophobicContact CD1-CB 4.34Å; Y93-H103 HydrophobicContact CD2-CB 4.26Å; Y93-H103 HydrophobicContact CE1-CB 3.82Å; Y93-H103 HydrophobicContact CE2-CB 3.71Å; Y93-H103 AromaticContact CE2-ND1 3.81Å; Y93-H103 VanDerWaalsContact CZ-CB 3.46Å; Y93-H103 AromaticContact CZ-ND1 3.94Å; Y93-H103 PolarHBondContact N-O 3.12Å; Y93-H103 VanDerWaalsContact N-O 3.12Å; Y93-H103 PolarHBondContact O-N 2.9Å; G95-H103 WeakPolarHBondContact CA-NE2 3.41Å; E101-H103 IonicContact OE1-CD2 2.79Å; E101-H103 PolarHBondContact OE1-CD2 2.87Å; E101-H103 IonicContact OE1-CE1 3.94Å; E101-H103 IonicContact OE1-NE2 3.41Å; E101-H103 PolarHBondContact OE1-NE2 3.2Å; H103-L110 HydrophobicContact CB-CD1 3.69Å
104I98Very high96Very high0 Ų042 Ų420%024%0.237CC..EExtended strand (participates in β ladder)trans-111.5126.4174.2-50.3-60.8000108.8Y90 L91 A92 V102 V111 V112 I114 F126 L133 I148Y90-I104 HydrophobicContact CD1-CG2 3.96Å; Y90-I104 HydrophobicContact CG-CG2 4.12Å; L91-I104 CarbonylContact O-C 3.53Å; L91-I104 WeakPolarHBondContact O-CA 3.38Å; A92-I104 HydrophobicContact CB-CD1 3.69Å; V102-I104 HydrophobicContact CG1-CD1 3.88Å; I104-V111 HydrophobicContact CG2-CB 4.47Å; I104-V111 WeakPolarHBondContact O-CB 3.29Å; I104-V111 PolarHBondContact O-N 3.05Å; I104-V112 HydrophobicContact CB-CG1 3.57Å; I104-V112 HydrophobicContact CG1-CG1 3.43Å; I104-V112 VanDerWaalsContact CG1-CG1 3.43Å; I104-V112 HydrophobicContact CG2-CG1 4.28Å; I104-V112 PolarHBondContact N-O 3.24Å; I104-V112 PolarHBondContact O-N 3.22Å; I104-I114 HydrophobicContact CG1-CD1 4.24Å; I104-F126 HydrophobicContact CD1-CZ 4.09Å; I104-L133 HydrophobicContact CD1-CD2 3.69Å; I104-I148 HydrophobicContact CD1-CD1 4.06Å; I104-I148 HydrophobicContact CG1-CD1 4.04Å; I104-I148 HydrophobicContact CG2-CG2 4.27Å
105F97Very high96Very high13 Ų1347.5 Ų47.56%0.05727%0.271CS..EExtended strand (participates in β ladder)trans-126.6133.7-173.4-165.4-97.5000110.3I58 H68 I70 Y90 L91 Y93 T107 A108 N109 L110I58-F105 HydrophobicContact CD1-CD1 3.92Å; I58-F105 HydrophobicContact CD1-CE1 3.87Å; H68-F105 AromaticContact CD2-CE1 3.77Å; H68-F105 AromaticContact CD2-CZ 3.58Å; H68-F105 AromaticContact NE2-CZ 3.49Å; H68-F105 WeakPolarHBondContact NE2-CZ 3.45Å; I70-F105 HydrophobicContact CD1-CB 4.25Å; I70-F105 HydrophobicContact CD1-CD1 3.72Å; I70-F105 HydrophobicContact CD1-CD2 4.06Å; I70-F105 HydrophobicContact CD1-CE1 4.01Å; I70-F105 HydrophobicContact CD1-CE2 4.35Å; I70-F105 HydrophobicContact CD1-CG 3.76Å; I70-F105 HydrophobicContact CD1-CZ 4.34Å; I70-F105 HydrophobicContact CG1-CD1 4.33Å; I70-F105 HydrophobicContact CG1-CE1 4.1Å; I70-F105 HydrophobicContact CG1-CE2 4.41Å; I70-F105 HydrophobicContact CG1-CZ 4.17Å; Y90-F105 CarbonylContact C-O 3.56Å; Y90-F105 WeakPolarHBondContact CA-O 3.39Å; L91-F105 HydrophobicContact CB-CB 4.42Å; L91-F105 PolarHBondContact N-O 3.31Å; L91-F105 PolarHBondContact O-N 3.19Å; Y93-F105 HydrophobicContact CE1-CB 4.07Å; F105-T107 VanDerWaalsContact CD1-CA 3.47Å; F105-T107 VanDerWaalsContact CD1-N 3.28Å; F105-T107 VanDerWaalsContact CE1-CA 3.49Å; F105-T107 PolarHBondContact O-N 3.15Å; F105-A108 VanDerWaalsContact CE1-N 3.35Å; F105-A108 VanDerWaalsContact CZ-O 3.27Å; F105-A108 WeakPolarHBondContact CZ-O 3.42Å; F105-N109 WeakPolarHBondContact CA-O 3.35Å; F105-N109 WeakPolarHBondContact CD2-O 3.29Å; F105-N109 WeakPolarHBondContact CG-O 3.36Å; F105-L110 HydrophobicContact CD2-CB 4.3Å
106D93.6Very high96Very high52 Ų5246.9 Ų46.928%0.27827%0.265SS..  trans-88.420.6-178.467.59.1000113.9Y90 A108 N109 V111Y90-D106 HydrophobicContact CD1-CB 4.03Å; Y90-D106 HydrophobicContact CE1-CB 3.87Å; D106-A108 PolarHBondContact O-N 3.19Å; D106-A108 WeakPolarHBondContact OD1-CA 3.49Å; D106-A108 PolarHBondContact OD1-N 3.01Å; D106-N109 PolarHBondContact N-O 2.82Å; D106-N109 PolarHBondContact OD1-N 2.74Å; D106-V111 HydrophobicContact CB-CG2 3.59Å
107T84.9Confident96Very high17 Ų1746.2 Ų46.210%0.10426%0.259CS..SBendtrans73-2.2-170.875.70000116.4R47 I58 S89 F105R47-T107 HydrophobicContact CG-CG2 4.22Å; I58-T107 HydrophobicContact CD1-CG2 4.39Å; I58-T107 HydrophobicContact CG2-CG2 4.25Å; S89-T107 VanDerWaalsContact O-CG2 3.22Å; S89-T107 WeakPolarHBondContact O-CG2 3.33Å; F105-T107 VanDerWaalsContact CD1-CA 3.47Å; F105-T107 VanDerWaalsContact CD1-N 3.28Å; F105-T107 VanDerWaalsContact CE1-CA 3.49Å; F105-T107 PolarHBondContact O-N 3.15Å
108A88.5Confident96Very high51 Ų5152.2 Ų52.242%0.42129%0.286SS..SBendtrans-128.7-38.4171.100000113.3F105 D106F105-A108 VanDerWaalsContact CE1-N 3.35Å; F105-A108 VanDerWaalsContact CZ-O 3.27Å; F105-A108 WeakPolarHBondContact CZ-O 3.42Å; D106-A108 PolarHBondContact O-N 3.19Å; D106-A108 WeakPolarHBondContact OD1-CA 3.49Å; D106-A108 PolarHBondContact OD1-N 3.01Å
109N94.1Very high96Very high102 Ų10245.6 Ų45.655%0.54526%0.262SS..SBendtrans-137.7154.1-173-54.5-69.8000111.6F105 D106 V111F105-N109 WeakPolarHBondContact CA-O 3.35Å; F105-N109 WeakPolarHBondContact CD2-O 3.29Å; F105-N109 WeakPolarHBondContact CG-O 3.36Å; D106-N109 PolarHBondContact N-O 2.82Å; D106-N109 PolarHBondContact OD1-N 2.74Å; N109-V111 PolarHBondContact O-N 2.9Å
110L96Very high96Very high80 Ų8044.4 Ų44.442%0.41925%0.254SS..EExtended strand (participates in β ladder)trans-70.7126.1167.1-176.769.7000109H103 F105 M113H103-L110 HydrophobicContact CB-CD1 3.69Å; F105-L110 HydrophobicContact CD2-CB 4.3Å; L110-M113 HydrophobicContact CD1-CG 4.41Å; L110-M113 HydrophobicContact CD2-CG 3.82Å; L110-M113 HydrophobicContact CD2-SD 3.92Å; L110-M113 HydrophobicContact CG-CG 4.39Å
111V96.6Very high96.1Very high55 Ų5545 Ų4533%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-99.7-50.5-172.9179.60000110.8Y90 I104 D106 N109 P149Y90-V111 HydrophobicContact CD1-CG2 4.2Å; Y90-V111 HydrophobicContact CE1-CB 4.42Å; Y90-V111 HydrophobicContact CE1-CG1 4.14Å; Y90-V111 HydrophobicContact CE1-CG2 3.79Å; I104-V111 HydrophobicContact CG2-CB 4.47Å; I104-V111 WeakPolarHBondContact O-CB 3.29Å; I104-V111 PolarHBondContact O-N 3.05Å; D106-V111 HydrophobicContact CB-CG2 3.59Å; N109-V111 PolarHBondContact O-N 2.9Å; V111-P149 HydrophobicContact CG1-CB 3.71Å
112V97.3Very high96Very high26 Ų2644.3 Ų44.316%0.15826%0.257CS..EExtended strand (participates in β ladder)trans-151.5144.9-178.963.80000110.8I104 I114 P149I104-V112 HydrophobicContact CB-CG1 3.57Å; I104-V112 HydrophobicContact CG1-CG1 3.43Å; I104-V112 VanDerWaalsContact CG1-CG1 3.43Å; I104-V112 HydrophobicContact CG2-CG1 4.28Å; I104-V112 PolarHBondContact N-O 3.24Å; I104-V112 PolarHBondContact O-N 3.22Å; V112-I114 HydrophobicContact CG1-CD1 4.4Å; V112-I114 HydrophobicContact CG1-CG1 4.37Å; V112-I114 HydrophobicContact CG2-CG1 4.15Å; V112-P149 WeakPolarHBondContact CG1-O 3.12Å
113M98Very high96Very high113 Ų11344.6 Ų44.656%0.55726%0.26SS*.EExtended strand (participates in β ladder)trans-110.8127.7170.6-60.5-176.6-68.400108.5V102 L110V102-M113 CarbonylContact O-C 3.57Å; V102-M113 WeakPolarHBondContact O-CA 3.32Å; L110-M113 HydrophobicContact CD1-CG 4.41Å; L110-M113 HydrophobicContact CD2-CG 3.82Å; L110-M113 HydrophobicContact CD2-SD 3.92Å; L110-M113 HydrophobicContact CG-CG 4.39Å
114I98.5Very high96Very high7 Ų743.8 Ų43.84%0.03626%0.257CS..EExtended strand (participates in β ladder)trans-118.9119.5-175.5-55.5174.3000108.8E101 V102 I104 V112 A116 F146 I148E101-I114 CarbonylContact C-O 3.57Å; E101-I114 WeakPolarHBondContact CA-O 3.44Å; V102-I114 HydrophobicContact CB-CB 4.28Å; V102-I114 PolarHBondContact N-O 2.87Å; V102-I114 PolarHBondContact O-N 3.01Å; I104-I114 HydrophobicContact CG1-CD1 4.24Å; V112-I114 HydrophobicContact CG1-CD1 4.4Å; V112-I114 HydrophobicContact CG1-CG1 4.37Å; V112-I114 HydrophobicContact CG2-CG1 4.15Å; I114-A116 VanDerWaalsContact C-N 3.27Å; I114-A116 HydrophobicContact CG2-CB 4.17Å; I114-A116 PolarHBondContact O-N 2.62Å; I114-F146 HydrophobicContact CD1-CB 4.09Å; I114-F146 HydrophobicContact CD1-CG 4.27Å; I114-F146 HydrophobicContact CG2-CD1 3.48Å; I114-F146 VanDerWaalsContact CG2-CD1 3.48Å; I114-F146 HydrophobicContact CG2-CD2 4.28Å; I114-F146 HydrophobicContact CG2-CE1 3.42Å; I114-F146 VanDerWaalsContact CG2-CE1 3.42Å; I114-F146 HydrophobicContact CG2-CE2 4.24Å; I114-F146 HydrophobicContact CG2-CG 3.93Å; I114-F146 HydrophobicContact CG2-CZ 3.84Å; I114-I148 HydrophobicContact CD1-CD1 3.82Å
115T98.1Very high96Very high129 Ų12947.1 Ų47.179%0.79127%0.271SS*.EExtended strand (participates in β ladder)trans-77.777.6170.154.90000109.8
116A97.9Very high96.1Very high0 Ų046.7 Ų46.70%027%0.269CS..EExtended strand (participates in β ladder)trans-78.2-35.9-168.600000113.7G100 V102 I114 R144 F146G100-A116 WeakPolarHBondContact O-CA 3.41Å; G100-A116 VanDerWaalsContact O-CB 3.26Å; G100-A116 WeakPolarHBondContact O-CB 3.25Å; G100-A116 PolarHBondContact O-N 2.76Å; V102-A116 HydrophobicContact CG2-CB 3.75Å; I114-A116 VanDerWaalsContact C-N 3.27Å; I114-A116 HydrophobicContact CG2-CB 4.17Å; I114-A116 PolarHBondContact O-N 2.62Å; A116-R144 WeakPolarHBondContact O-CD 3.14Å; A116-R144 PolarHBondContact O-NH1 2.82Å; A116-F146 HydrophobicContact CB-CE2 3.64Å; A116-F146 HydrophobicContact CB-CZ 3.64Å
117H97.4Very high96.2Very high12 Ų1244.4 Ų44.46%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-146163.1178.8-58.2-93.6000112.2G100 G119 S135G100-H117 WeakPolarHBondContact CA-O 3.28Å; G100-H117 PolarHBondContact N-O 2.98Å; G100-H117 PolarHBondContact O-N 2.57Å; G100-H117 VanDerWaalsContact O-N 3.09Å; H117-G119 VanDerWaalsContact C-N 3.3Å; H117-G119 PolarHBondContact O-N 3.49Å; H117-S135 PolarHBondContact NE2-O 2.91Å; H117-S135 PolarHBondContact NE2-OG 3.05Å
118N95.7Very high96.6Very high162 Ų16246.6 Ų46.687%0.86627%0.273SS*.SBendtrans-79.1-11.9178-66-4.2000113.6
119G96Very high96.9Very high23 Ų2348 Ų4824%0.23727%0.273CS..SBendtrans-135167.4179.400000111H98 S99 G100 H117H98-G119 CarbonylContact O-C 3.5Å; H98-G119 WeakPolarHBondContact O-CA 3.45Å; S99-G119 CarbonylContact C-O 3.57Å; G100-G119 WeakPolarHBondContact CA-O 3.3Å; G100-G119 PolarHBondContact N-O 3.36Å; H117-G119 VanDerWaalsContact C-N 3.3Å; H117-G119 PolarHBondContact O-N 3.49Å
120A97.3Very high96.9Very high14 Ų1443.2 Ų43.212%0.11625%0.248CC..  trans-45144.6-176.400000113.7A97 H98 S137 E138A97-A120 WeakPolarHBondContact O-CB 3.36Å; H98-A120 PolarHBondContact O-N 2.87Å; H98-A120 VanDerWaalsContact O-N 3.13Å; A120-S137 CarbonylContact O-C 3.56Å; A120-S137 WeakPolarHBondContact O-CA 3.45Å; A120-S137 WeakPolarHBondContact O-CB 3.1Å; A120-E138 HydrophobicContact CB-CG 4.14Å; A120-E138 PolarHBondContact O-N 3.48Å
121L98.1Very high97Very high12 Ų1242.3 Ų42.36%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-76.8140.3-179.9-63.8169.4000111.2L80 P94 E101 V102 L124 A136L80-L121 HydrophobicContact CD2-CB 3.61Å; P94-L121 HydrophobicContact CB-CD1 4.13Å; P94-L121 HydrophobicContact CG-CD1 4.18Å; E101-L121 WeakPolarHBondContact O-CD1 3.4Å; V102-L121 HydrophobicContact CG2-CD1 3.66Å; V102-L121 HydrophobicContact CG2-CD2 4.31Å; L121-L124 HydrophobicContact CD1-CD1 4.16Å; L121-L124 HydrophobicContact CD1-CD2 4.22Å; L121-L124 HydrophobicContact CD1-CG 4.38Å; L121-A136 WeakPolarHBondContact CA-O 3.33Å
122S97.1Very high97Very high34 Ų3441.7 Ų41.724%0.23824%0.238CC..EExtended strand (participates in β ladder)trans-111.5-26.5173.562.70000113.1A136 S137S122-A136 PolarHBondContact N-O 3.24Å; S122-A136 PolarHBondContact OG-O 2.82Å; S122-S137 PolarHBondContact OG-O 2.84Å
123A97.9Very high97.1Very high6 Ų640.5 Ų40.55%0.0523%0.231CC..EExtended strand (participates in β ladder)trans-148.8143.9-179.200000111.7S135 A136 I167 L170A123-S135 WeakPolarHBondContact O-CA 3.42Å; A123-A136 HydrophobicContact CB-CB 4.3Å; A123-A136 PolarHBondContact N-O 2.96Å; A123-A136 PolarHBondContact O-N 2.81Å; A123-I167 HydrophobicContact CB-CB 4.38Å; A123-I167 HydrophobicContact CB-CG2 3.79Å; A123-L170 HydrophobicContact CB-CD1 3.69Å; A123-L170 HydrophobicContact CB-CG 3.95Å
124L98Very high97.1Very high12 Ų1235.1 Ų35.16%0.06320%0.204CC..EExtended strand (participates in β ladder)trans-140.4135.4174.9-71.3176.3000108.4L80 A92 V102 L121 L133 A134L80-L124 HydrophobicContact CD1-CB 4.2Å; L80-L124 HydrophobicContact CD1-CG 4.4Å; L80-L124 HydrophobicContact CD2-CD1 4.3Å; L80-L124 HydrophobicContact CD2-CG 4.19Å; L80-L124 HydrophobicContact CG-CD1 4.14Å; L80-L124 HydrophobicContact CG-CG 4.25Å; A92-L124 HydrophobicContact CB-CD1 4.39Å; V102-L124 HydrophobicContact CG1-CD1 4.25Å; V102-L124 HydrophobicContact CG1-CD2 4.2Å; V102-L124 HydrophobicContact CG2-CD2 3.91Å; L121-L124 HydrophobicContact CD1-CD1 4.16Å; L121-L124 HydrophobicContact CD1-CD2 4.22Å; L121-L124 HydrophobicContact CD1-CG 4.38Å; L124-L133 HydrophobicContact CD2-CD2 4.28Å; L124-A134 WeakPolarHBondContact CA-O 3.31Å
125K98.5Very high97.1Very high69 Ų6934.8 Ų34.830%0.320%0.202SC..EExtended strand (participates in β ladder)trans-150.1124.8174.7-164.477.8-163.272.60111.7D82 A134 L170 F172D82-K125 IonicContact OD1-NZ 2.7Å; D82-K125 PolarHBondContact OD1-NZ 3.41Å; D82-K125 VanDerWaalsContact OD2-CA 3.28Å; D82-K125 WeakPolarHBondContact OD2-CA 3.44Å; D82-K125 WeakPolarHBondContact OD2-CD 3.34Å; D82-K125 IonicContact OD2-NZ 2.76Å; D82-K125 PolarHBondContact OD2-NZ 2.94Å; K125-A134 PolarHBondContact N-O 3.32Å; K125-A134 PolarHBondContact O-N 2.7Å; K125-L170 HydrophobicContact CB-CB 3.83Å; K125-L170 WeakPolarHBondContact CD-O 3.48Å; K125-L170 VanDerWaalsContact CG-O 3.25Å; K125-L170 WeakPolarHBondContact CG-O 3.49Å; K125-F172 VanDerWaalsContact O-CE2 3.3Å; K125-F172 WeakPolarHBondContact O-CE2 3.33Å
126F98.3Very high97.1Very high4 Ų428.6 Ų28.62%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-76.8150.4164.7-74-73000111.2D82 T84 Y90 A92 I104 R132 L133 I148D82-F126 HydrophobicContact CB-CD2 4.09Å; D82-F126 WeakPolarHBondContact O-CE2 3.17Å; D82-F126 PolarHBondContact OD2-N 3.41Å; T84-F126 HydrophobicContact CG2-CB 3.92Å; T84-F126 HydrophobicContact CG2-CD1 3.56Å; T84-F126 HydrophobicContact CG2-CD2 3.6Å; T84-F126 HydrophobicContact CG2-CE1 3.83Å; T84-F126 HydrophobicContact CG2-CE2 3.85Å; T84-F126 HydrophobicContact CG2-CG 3.43Å; T84-F126 VanDerWaalsContact CG2-CG 3.43Å; T84-F126 HydrophobicContact CG2-CZ 3.96Å; Y90-F126 WeakPolarHBondContact O-CE2 3.47Å; A92-F126 HydrophobicContact CB-CD2 4.36Å; A92-F126 HydrophobicContact CB-CE2 3.43Å; A92-F126 VanDerWaalsContact CB-CE2 3.43Å; A92-F126 HydrophobicContact CB-CZ 3.58Å; I104-F126 HydrophobicContact CD1-CZ 4.09Å; F126-R132 WeakPolarHBondContact CA-O 3.32Å; F126-L133 HydrophobicContact CD1-CB 4.12Å; F126-L133 HydrophobicContact CD1-CD1 3.9Å; F126-L133 HydrophobicContact CD2-CD1 4.2Å; F126-L133 HydrophobicContact CE1-CB 4.14Å; F126-L133 HydrophobicContact CE1-CD1 4.01Å; F126-L133 HydrophobicContact CE2-CD1 4.32Å; F126-L133 HydrophobicContact CG-CD1 4.01Å; F126-L133 HydrophobicContact CZ-CD1 4.23Å; F126-I148 HydrophobicContact CE1-CG1 4.05Å; F126-I148 HydrophobicContact CE1-CG2 4.28Å
127N96.9Very high97.1Very high5 Ų529 Ų293%0.02717%0.167CC..  trans-73177.2162.272.7-26.1000111.7D129 G130 T131 R132 F172 S176N127-D129 PolarHBondContact ND2-OD1 3.38Å; N127-D129 PolarHBondContact O-N 2.84Å; N127-D129 PolarHBondContact OD1-OD1 2.84Å; N127-D129 VanDerWaalsContact OD1-OD1 3.08Å; N127-G130 PolarHBondContact O-N 3.28Å; N127-G130 WeakPolarHBondContact OD1-CA 3.47Å; N127-G130 PolarHBondContact OD1-N 3.14Å; N127-G130 VanDerWaalsContact OD1-N 3.14Å; N127-T131 PolarHBondContact ND2-OG1 2.93Å; N127-T131 PolarHBondContact OD1-N 2.97Å; N127-R132 HydrophobicContact CB-CB 4.29Å; N127-R132 PolarHBondContact N-O 2.88Å; N127-R132 PolarHBondContact OD1-N 3.14Å; N127-R132 PolarHBondContact OD1-O 2.89Å; N127-R132 VanDerWaalsContact OD1-O 3.12Å; N127-F172 HydrophobicContact CB-CB 3.98Å; N127-F172 HydrophobicContact CB-CD1 3.8Å; N127-F172 HydrophobicContact CB-CD2 3.79Å; N127-F172 HydrophobicContact CB-CE1 4.18Å; N127-F172 HydrophobicContact CB-CE2 4.19Å; N127-F172 HydrophobicContact CB-CG 3.57Å; N127-F172 HydrophobicContact CB-CZ 4.37Å; N127-S176 WeakPolarHBondContact CB-OG 3.5Å; N127-S176 PolarHBondContact ND2-OG 3.19Å
128S93.2Very high97Very high62 Ų6234 Ų3443%0.43419%0.191SC..SBendtrans-64.9-38.8-171.447.10000113.9S174S128-S174 PolarHBondContact OG-O 2.62Å; S128-S174 VanDerWaalsContact OG-O 3.11Å
129D93.2Very high96.9Very high80 Ų8032.8 Ų32.843%0.42818%0.178SC..SBendtrans-87.4-10.3179.96127.4000113.8S86 N127 T131S86-D129 WeakPolarHBondContact CB-O 3.37Å; N127-D129 PolarHBondContact ND2-OD1 3.38Å; N127-D129 PolarHBondContact O-N 2.84Å; N127-D129 PolarHBondContact OD1-OD1 2.84Å; N127-D129 VanDerWaalsContact OD1-OD1 3.08Å; D129-T131 VanDerWaalsContact C-N 3.35Å; D129-T131 HydrophobicContact CB-CG2 4.42Å; D129-T131 VanDerWaalsContact OD1-CB 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.19Å; D129-T131 VanDerWaalsContact OD1-CG2 3.32Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.34Å; D129-T131 PolarHBondContact OD1-N 2.89Å; D129-T131 PolarHBondContact OD1-OG1 2.96Å; D129-T131 PolarHBondContact OD2-OG1 3.05Å
130G95.7Very high96.8Very high3 Ų331.7 Ų31.73%0.03117%0.166CC..SBendtrans79.910.7179.100000115.2T84 N127T84-G130 VanDerWaalsContact CG2-CA 3.44Å; N127-G130 PolarHBondContact O-N 3.28Å; N127-G130 WeakPolarHBondContact OD1-CA 3.47Å; N127-G130 PolarHBondContact OD1-N 3.14Å; N127-G130 VanDerWaalsContact OD1-N 3.14Å
131T96.4Very high96.6Very high61 Ų6132.8 Ų32.837%0.37417%0.172SC..SBendtrans-85.4-15179.263.10000113.7N127 D129 I148N127-T131 PolarHBondContact ND2-OG1 2.93Å; N127-T131 PolarHBondContact OD1-N 2.97Å; D129-T131 VanDerWaalsContact C-N 3.35Å; D129-T131 HydrophobicContact CB-CG2 4.42Å; D129-T131 VanDerWaalsContact OD1-CB 3.29Å; D129-T131 WeakPolarHBondContact OD1-CB 3.19Å; D129-T131 VanDerWaalsContact OD1-CG2 3.32Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.34Å; D129-T131 PolarHBondContact OD1-N 2.89Å; D129-T131 PolarHBondContact OD1-OG1 2.96Å; D129-T131 PolarHBondContact OD2-OG1 3.05Å; T131-I148 PolarHBondContact O-N 2.78Å
132R97.7Very high96.5Very high42 Ų4233.2 Ų33.216%0.15818%0.175CC..EExtended strand (participates in β ladder)trans-131.7142.2-179.6-60-179.9179.3-169.8-8.7111.7F126 N127 V145 F146 L154 F172 S176 T195F126-R132 WeakPolarHBondContact CA-O 3.32Å; N127-R132 HydrophobicContact CB-CB 4.29Å; N127-R132 PolarHBondContact N-O 2.88Å; N127-R132 PolarHBondContact OD1-N 3.14Å; N127-R132 PolarHBondContact OD1-O 2.89Å; N127-R132 VanDerWaalsContact OD1-O 3.12Å; R132-V145 HydrophobicContact CB-CG1 4.12Å; R132-F146 CarbonylContact C-O 3.58Å; R132-F146 VanDerWaalsContact CA-O 3.24Å; R132-F146 WeakPolarHBondContact CA-O 3.21Å; R132-L154 HydrophobicContact CG-CD1 4.13Å; R132-F172 HydrophobicContact CB-CE1 4.17Å; R132-F172 HydrophobicContact CB-CZ 4.07Å; R132-S176 PolarHBondContact NH1-O 3.2Å; R132-S176 VanDerWaalsContact NH1-O 3.15Å; R132-T195 PolarHBondContact NH2-OG1 2.92Å
133L98.6Very high96.4Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-123.9121.9173.4-18072.8000110.5A92 V102 I104 L124 F126 V145 F146 I148A92-L133 HydrophobicContact CB-CD1 3.94Å; A92-L133 HydrophobicContact CB-CD2 4.08Å; V102-L133 HydrophobicContact CG1-CD2 3.75Å; I104-L133 HydrophobicContact CD1-CD2 3.69Å; L124-L133 HydrophobicContact CD2-CD2 4.28Å; F126-L133 HydrophobicContact CD1-CB 4.12Å; F126-L133 HydrophobicContact CD1-CD1 3.9Å; F126-L133 HydrophobicContact CD2-CD1 4.2Å; F126-L133 HydrophobicContact CE1-CB 4.14Å; F126-L133 HydrophobicContact CE1-CD1 4.01Å; F126-L133 HydrophobicContact CE2-CD1 4.32Å; F126-L133 HydrophobicContact CG-CD1 4.01Å; F126-L133 HydrophobicContact CZ-CD1 4.23Å; L133-V145 CarbonylContact O-C 3.52Å; L133-V145 VanDerWaalsContact O-CA 3.32Å; L133-V145 WeakPolarHBondContact O-CA 3.46Å; L133-F146 PolarHBondContact N-O 3.23Å; L133-F146 PolarHBondContact O-N 2.95Å; L133-I148 HydrophobicContact CB-CD1 3.9Å; L133-I148 HydrophobicContact CB-CG1 3.86Å; L133-I148 HydrophobicContact CD2-CD1 4.48Å
134A98.7Very high96.4Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-90.4143.8168.300000110.8L124 K125 R144 V145 L170 F172 L179L124-A134 WeakPolarHBondContact CA-O 3.31Å; K125-A134 PolarHBondContact N-O 3.32Å; K125-A134 PolarHBondContact O-N 2.7Å; A134-R144 CarbonylContact C-O 3.57Å; A134-R144 VanDerWaalsContact CA-O 3.31Å; A134-R144 WeakPolarHBondContact CA-O 3.38Å; A134-V145 HydrophobicContact CB-CG2 4.24Å; A134-L170 HydrophobicContact CB-CD1 4.04Å; A134-F172 HydrophobicContact CB-CE2 3.52Å; A134-F172 HydrophobicContact CB-CZ 3.71Å; A134-L179 HydrophobicContact CB-CD1 3.76Å; A134-L179 HydrophobicContact CB-CD2 3.72Å; A134-L179 HydrophobicContact CB-CG 4.42Å
135S98.6Very high96.4Very high0 Ų033.2 Ų33.20%017%0.168CC..EExtended strand (participates in β ladder)trans-142.2153.5178.266.90000112.6H117 A123 R144 F146H117-S135 PolarHBondContact NE2-O 2.91Å; H117-S135 PolarHBondContact NE2-OG 3.05Å; A123-S135 WeakPolarHBondContact O-CA 3.42Å; S135-R144 PolarHBondContact N-O 2.68Å; S135-R144 PolarHBondContact O-N 3.41Å; S135-F146 WeakPolarHBondContact OG-CE2 3.34Å
136A98.1Very high96.4Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-141.2148.3169.400000110.8L121 S122 A123 I143 I167 L170L121-A136 WeakPolarHBondContact CA-O 3.33Å; S122-A136 PolarHBondContact N-O 3.24Å; S122-A136 PolarHBondContact OG-O 2.82Å; A123-A136 HydrophobicContact CB-CB 4.3Å; A123-A136 PolarHBondContact N-O 2.96Å; A123-A136 PolarHBondContact O-N 2.81Å; A136-I143 HydrophobicContact CB-CD1 3.61Å; A136-I167 HydrophobicContact CB-CB 4.21Å; A136-I167 HydrophobicContact CB-CG1 3.76Å; A136-I167 HydrophobicContact CB-CG2 4.26Å; A136-L170 HydrophobicContact CB-CD1 4.41Å
137S97.1Very high96.4Very high8 Ų831.7 Ų31.76%0.05617%0.165CC..EExtended strand (participates in β ladder)trans-87.2170.817058.70000112.3A120 S122 K139 G140A120-S137 CarbonylContact O-C 3.56Å; A120-S137 WeakPolarHBondContact O-CA 3.45Å; A120-S137 WeakPolarHBondContact O-CB 3.1Å; S122-S137 PolarHBondContact OG-O 2.84Å; S137-K139 PolarHBondContact O-N 2.79Å; S137-G140 WeakPolarHBondContact O-CA 3.09Å; S137-G140 PolarHBondContact O-N 3.13Å
138E95.6Very high96.4Very high118 Ų11831.9 Ų31.955%0.55117%0.166SC*.THydrogen-bonded Turntrans-59.4-27.2173-68.9-174.4157.900113.7A120 G140A120-E138 HydrophobicContact CB-CG 4.14Å; A120-E138 PolarHBondContact O-N 3.48Å; E138-G140 PolarHBondContact O-N 2.84Å
139K94.1Very high96.6Very high135 Ų13532.1 Ų32.159%0.58717%0.166SC*.THydrogen-bonded Turntrans-64.7-32.1171.5-67.4-174.4-179.6179.50111.4S137 T141 C164 A165S137-K139 PolarHBondContact O-N 2.79Å; K139-T141 PolarHBondContact O-N 2.8Å; K139-C164 VanDerWaalsContact O-CA 3.25Å; K139-C164 WeakPolarHBondContact O-CA 3.21Å; K139-C164 WeakPolarHBondContact O-CB 3.42Å; K139-A165 PolarHBondContact O-N 3.46Å
140G94.5Very high96.8Very high0 Ų031.8 Ų31.80%017%0.17CC..  trans56.523.9175.900000115S137 E138 R159 A165S137-G140 WeakPolarHBondContact O-CA 3.09Å; S137-G140 PolarHBondContact O-N 3.13Å; E138-G140 PolarHBondContact O-N 2.84Å; G140-R159 VanDerWaalsContact O-CZ 3.28Å; G140-R159 PolarHBondContact O-NE 2.97Å; G140-R159 PolarHBondContact O-NH2 2.83Å; G140-A165 WeakPolarHBondContact CA-O 3.45Å
141T93.3Very high96.8Very high37 Ų3732.5 Ų32.523%0.22718%0.177CC..SBendtrans-84.1-30.3178.449.90000112.2K139 R159K139-T141 PolarHBondContact O-N 2.8Å; T141-R159 PolarHBondContact O-N 3.22Å
142V94.4Very high96.9Very high21 Ų2135.5 Ų35.513%0.12719%0.187CC..EExtended strand (participates in β ladder)trans-126.6135.3-174.91790000109.2R144 E156 F157V142-R144 HydrophobicContact CG1-CG 4.06Å; V142-E156 HydrophobicContact CG1-CG 3.4Å; V142-F157 CarbonylContact C-O 3.52Å; V142-F157 WeakPolarHBondContact CA-O 3.35Å
143I96.7Very high96.9Very high0 Ų039.4 Ų39.40%020%0.202CC..EExtended strand (participates in β ladder)trans-113129.4172.8-48.3-58.5000107.3A136 F157 R159 I167 L170 L179 F191A136-I143 HydrophobicContact CB-CD1 3.61Å; I143-F157 HydrophobicContact CB-CB 4.47Å; I143-F157 PolarHBondContact N-O 3.45Å; I143-F157 PolarHBondContact O-N 3.45Å; I143-R159 HydrophobicContact CG1-CB 4.42Å; I143-I167 HydrophobicContact CD1-CD1 4.28Å; I143-I167 HydrophobicContact CD1-CG1 4.25Å; I143-L170 HydrophobicContact CD1-CD2 4.35Å; I143-L170 HydrophobicContact CG2-CD2 3.93Å; I143-L179 HydrophobicContact CG2-CD2 3.7Å; I143-F191 HydrophobicContact CB-CE2 4.39Å; I143-F191 HydrophobicContact CG1-CE2 4.03Å; I143-F191 HydrophobicContact CG1-CZ 4.4Å
144R97.5Very high96.7Very high53 Ų5342.3 Ų42.320%0.222%0.217CC..EExtended strand (participates in β ladder)trans-119144.2-179.5-74.1169175.1155.2-2.1110.7A116 A134 S135 V142 F146 F155 E156A116-R144 WeakPolarHBondContact O-CD 3.14Å; A116-R144 PolarHBondContact O-NH1 2.82Å; A134-R144 CarbonylContact C-O 3.57Å; A134-R144 VanDerWaalsContact CA-O 3.31Å; A134-R144 WeakPolarHBondContact CA-O 3.38Å; S135-R144 PolarHBondContact N-O 2.68Å; S135-R144 PolarHBondContact O-N 3.41Å; V142-R144 HydrophobicContact CG1-CG 4.06Å; R144-F146 HydrophobicContact CB-CD2 4.41Å; R144-F146 HydrophobicContact CB-CE2 3.49Å; R144-F146 VanDerWaalsContact CB-CE2 3.49Å; R144-F146 HydrophobicContact CB-CZ 3.75Å; R144-F146 HydrophobicContact CG-CZ 4.45Å; R144-F155 WeakPolarHBondContact CA-O 3.3Å; R144-E156 HydrophobicContact CG-CB 4.33Å; R144-E156 HydrophobicContact CG-CG 4.1Å; R144-E156 IonicContact CZ-OE2 2.83Å; R144-E156 VanDerWaalsContact CZ-OE2 3.25Å; R144-E156 IonicContact NE-OE2 3.89Å; R144-E156 PolarHBondContact NE-OE2 3.34Å; R144-E156 IonicContact NH2-OE2 3.25Å; R144-E156 PolarHBondContact NH2-OE2 2.92Å
145V98.3Very high96.6Very high0 Ų043.6 Ų43.60%022%0.222CC..EExtended strand (participates in β ladder)trans-121131.9174.1-178.30000109.1R132 L133 A134 L154 F155 F157 F172 L179 L193R132-V145 HydrophobicContact CB-CG1 4.12Å; L133-V145 CarbonylContact O-C 3.52Å; L133-V145 VanDerWaalsContact O-CA 3.32Å; L133-V145 WeakPolarHBondContact O-CA 3.46Å; A134-V145 HydrophobicContact CB-CG2 4.24Å; V145-L154 PolarHBondContact O-N 2.87Å; V145-F155 HydrophobicContact CB-CB 4.07Å; V145-F155 HydrophobicContact CB-CD2 3.97Å; V145-F155 HydrophobicContact CG1-CD2 4.14Å; V145-F155 HydrophobicContact CG2-CB 4.36Å; V145-F155 PolarHBondContact N-O 2.94Å; V145-F155 PolarHBondContact O-N 2.97Å; V145-F155 VanDerWaalsContact O-N 3.13Å; V145-F157 HydrophobicContact CG2-CE2 4.33Å; V145-F172 HydrophobicContact CG1-CE1 4.25Å; V145-F172 HydrophobicContact CG1-CZ 4Å; V145-F172 HydrophobicContact CG2-CZ 4.43Å; V145-L179 HydrophobicContact CG2-CD2 3.71Å; V145-L193 HydrophobicContact CG2-CD2 4.21Å
146F98.5Very high96.4Very high9 Ų945.2 Ų45.24%0.03923%0.23CC..EExtended strand (participates in β ladder)trans-118149.2-178.1-59.2-92.2000110.9I114 A116 R132 L133 S135 R144 E152 R153I114-F146 HydrophobicContact CD1-CB 4.09Å; I114-F146 HydrophobicContact CD1-CG 4.27Å; I114-F146 HydrophobicContact CG2-CD1 3.48Å; I114-F146 VanDerWaalsContact CG2-CD1 3.48Å; I114-F146 HydrophobicContact CG2-CD2 4.28Å; I114-F146 HydrophobicContact CG2-CE1 3.42Å; I114-F146 VanDerWaalsContact CG2-CE1 3.42Å; I114-F146 HydrophobicContact CG2-CE2 4.24Å; I114-F146 HydrophobicContact CG2-CG 3.93Å; I114-F146 HydrophobicContact CG2-CZ 3.84Å; A116-F146 HydrophobicContact CB-CE2 3.64Å; A116-F146 HydrophobicContact CB-CZ 3.64Å; R132-F146 CarbonylContact C-O 3.58Å; R132-F146 VanDerWaalsContact CA-O 3.24Å; R132-F146 WeakPolarHBondContact CA-O 3.21Å; L133-F146 PolarHBondContact N-O 3.23Å; L133-F146 PolarHBondContact O-N 2.95Å; S135-F146 WeakPolarHBondContact OG-CE2 3.34Å; R144-F146 HydrophobicContact CB-CD2 4.41Å; R144-F146 HydrophobicContact CB-CE2 3.49Å; R144-F146 VanDerWaalsContact CB-CE2 3.49Å; R144-F146 HydrophobicContact CB-CZ 3.75Å; R144-F146 HydrophobicContact CG-CZ 4.45Å; F146-E152 CarbonylContact C-O 3.59Å; F146-E152 WeakPolarHBondContact CA-O 3.12Å; F146-R153 HydrophobicContact CD1-CB 3.86Å; F146-R153 HydrophobicContact CD1-CG 4.37Å; F146-R153 HydrophobicContact CE1-CB 3.66Å; F146-R153 HydrophobicContact CE1-CG 3.96Å; F146-R153 HydrophobicContact CZ-CG 4.36Å
147S97.8Very high96.2Very high32 Ų3245.3 Ų45.322%0.22423%0.23CC..EExtended strand (participates in β ladder)trans-79.9141.7167.5-171.30000110S150 G151 E152S147-S150 WeakPolarHBondContact CB-OG 3.29Å; S147-S150 PolarHBondContact OG-OG 2.92Å; S147-G151 WeakPolarHBondContact O-CA 3.16Å; S147-G151 PolarHBondContact O-N 2.86Å; S147-E152 PolarHBondContact N-O 3.11Å
148I97.4Very high96Very high9 Ų948.6 Ų48.65%0.04624%0.242CC..THydrogen-bonded Turntrans-125.9129.1-177.9-56.2-66.3000107.2Y90 I104 I114 F126 T131 L133Y90-I148 HydrophobicContact CD2-CG2 3.79Å; Y90-I148 HydrophobicContact CE2-CG2 3.96Å; Y90-I148 HydrophobicContact CG-CG2 4.37Å; I104-I148 HydrophobicContact CD1-CD1 4.06Å; I104-I148 HydrophobicContact CG1-CD1 4.04Å; I104-I148 HydrophobicContact CG2-CG2 4.27Å; I114-I148 HydrophobicContact CD1-CD1 3.82Å; F126-I148 HydrophobicContact CE1-CG1 4.05Å; F126-I148 HydrophobicContact CE1-CG2 4.28Å; T131-I148 PolarHBondContact O-N 2.78Å; L133-I148 HydrophobicContact CB-CD1 3.9Å; L133-I148 HydrophobicContact CB-CG1 3.86Å; L133-I148 HydrophobicContact CD2-CD1 4.48Å
149P96.1Very high95.7Very high67 Ų6744 Ų4444%0.43522%0.219SC..THydrogen-bonded Turncis-91.22.710.235.5-36.2000115.6V111 V112 G151V111-P149 HydrophobicContact CG1-CB 3.71Å; V112-P149 WeakPolarHBondContact CG1-O 3.12Å; P149-G151 VanDerWaalsContact C-N 3.25Å; P149-G151 PolarHBondContact O-N 2.89Å
150S96.9Very high94.8Very high73 Ų7338.3 Ų38.351%0.5120%0.199SC..THydrogen-bonded Turntrans-65.2-25.1-171.267.70000114.6S147 E152S147-S150 WeakPolarHBondContact CB-OG 3.29Å; S147-S150 PolarHBondContact OG-OG 2.92Å; S150-E152 PolarHBondContact O-N 2.81Å; S150-E152 PolarHBondContact OG-N 3.06Å
151G97.2Very high93.4Very high18 Ų1843.6 Ų43.619%0.18623%0.226CC..  trans76.64.6-176.600000114.1S147 P149S147-G151 WeakPolarHBondContact O-CA 3.16Å; S147-G151 PolarHBondContact O-N 2.86Å; P149-G151 VanDerWaalsContact C-N 3.25Å; P149-G151 PolarHBondContact O-N 2.89Å
152E97.4Very high92.1Very high123 Ų12351.2 Ų51.258%0.57526%0.256SS*.  trans-69.9133.3-179.6-174-177.1175.700111.2F146 S147 S150 L154F146-E152 CarbonylContact C-O 3.59Å; F146-E152 WeakPolarHBondContact CA-O 3.12Å; S147-E152 PolarHBondContact N-O 3.11Å; S150-E152 PolarHBondContact O-N 2.81Å; S150-E152 PolarHBondContact OG-N 3.06Å; E152-L154 PolarHBondContact O-N 3.43Å
153R97.3Very high91.3Very high125 Ų12559.8 Ų59.847%0.47229%0.286SS..EExtended strand (participates in β ladder)trans-74.8109.6173.8-174.7-172.763129.29.8109.6F146 E156F146-R153 HydrophobicContact CD1-CB 3.86Å; F146-R153 HydrophobicContact CD1-CG 4.37Å; F146-R153 HydrophobicContact CE1-CB 3.66Å; F146-R153 HydrophobicContact CE1-CG 3.96Å; F146-R153 HydrophobicContact CZ-CG 4.36Å; R153-E156 IonicContact CZ-OE2 3.48Å; R153-E156 VanDerWaalsContact NH1-CB 3.27Å; R153-E156 IonicContact NH1-OE1 3.34Å; R153-E156 IonicContact NH1-OE2 2.68Å; R153-E156 PolarHBondContact NH1-OE2 3.33Å
154L96Very high90.9Very high60 Ų6064.1 Ų64.131%0.31432%0.315SS..EExtended strand (participates in β ladder)trans-81.5-41.7177.9-62.3177.2000112.5R132 V145 E152R132-L154 HydrophobicContact CG-CD1 4.13Å; V145-L154 PolarHBondContact O-N 2.87Å; E152-L154 PolarHBondContact O-N 3.43Å
155F95.8Very high90.7Very high27 Ų2761.7 Ų61.712%0.11831%0.306CS..EExtended strand (participates in β ladder)trans-141150.5-174.5-56-85.2000112.3R144 V145 F157 L193 D194R144-F155 WeakPolarHBondContact CA-O 3.3Å; V145-F155 HydrophobicContact CB-CB 4.07Å; V145-F155 HydrophobicContact CB-CD2 3.97Å; V145-F155 HydrophobicContact CG1-CD2 4.14Å; V145-F155 HydrophobicContact CG2-CB 4.36Å; V145-F155 PolarHBondContact N-O 2.94Å; V145-F155 PolarHBondContact O-N 2.97Å; V145-F155 VanDerWaalsContact O-N 3.13Å; F155-F157 HydrophobicContact CB-CD2 4.29Å; F155-F157 HydrophobicContact CB-CE2 3.45Å; F155-F157 VanDerWaalsContact CB-CE2 3.45Å; F155-F157 HydrophobicContact CB-CZ 3.61Å; F155-F157 AromaticContact CD1-CZ 3.87Å; F155-F157 HydrophobicContact CD1-CZ 3.87Å; F155-F157 HydrophobicContact CG-CE2 4.09Å; F155-F157 AromaticContact CG-CZ 3.9Å; F155-F157 HydrophobicContact CG-CZ 3.9Å; F155-L193 HydrophobicContact CD2-CD2 3.91Å; F155-L193 HydrophobicContact CE2-CB 4Å; F155-L193 HydrophobicContact CE2-CD2 4.22Å; F155-L193 HydrophobicContact CG-CD2 4.11Å; F155-L193 HydrophobicContact CZ-CB 4.03Å; F155-D194 WeakPolarHBondContact CE1-O 3.39Å
156E95.3Very high90.5Very high34 Ų3464.8 Ų64.816%0.15933%0.328CS..EExtended strand (participates in β ladder)trans-138.3119.1169.6-177.1172.9115.900110.4V142 R144 R153 Q228V142-E156 HydrophobicContact CG1-CG 3.4Å; R144-E156 HydrophobicContact CG-CB 4.33Å; R144-E156 HydrophobicContact CG-CG 4.1Å; R144-E156 IonicContact CZ-OE2 2.83Å; R144-E156 VanDerWaalsContact CZ-OE2 3.25Å; R144-E156 IonicContact NE-OE2 3.89Å; R144-E156 PolarHBondContact NE-OE2 3.34Å; R144-E156 IonicContact NH2-OE2 3.25Å; R144-E156 PolarHBondContact NH2-OE2 2.92Å; R153-E156 IonicContact CZ-OE2 3.48Å; R153-E156 VanDerWaalsContact NH1-CB 3.27Å; R153-E156 IonicContact NH1-OE1 3.34Å; R153-E156 IonicContact NH1-OE2 2.68Å; R153-E156 PolarHBondContact NH1-OE2 3.33Å; E156-Q228 PolarHBondContact OE1-NE2 3.09Å
157F94.1Very high90.4Very high3 Ų364.8 Ų64.81%0.01333%0.329CS..EExtended strand (participates in β ladder)trans-115.1138.5-178.4-57.6-70.9000111.2V142 I143 V145 F155 F191 K192 L193 E229V142-F157 CarbonylContact C-O 3.52Å; V142-F157 WeakPolarHBondContact CA-O 3.35Å; I143-F157 HydrophobicContact CB-CB 4.47Å; I143-F157 PolarHBondContact N-O 3.45Å; I143-F157 PolarHBondContact O-N 3.45Å; V145-F157 HydrophobicContact CG2-CE2 4.33Å; F155-F157 HydrophobicContact CB-CD2 4.29Å; F155-F157 HydrophobicContact CB-CE2 3.45Å; F155-F157 VanDerWaalsContact CB-CE2 3.45Å; F155-F157 HydrophobicContact CB-CZ 3.61Å; F155-F157 AromaticContact CD1-CZ 3.87Å; F155-F157 HydrophobicContact CD1-CZ 3.87Å; F155-F157 HydrophobicContact CG-CE2 4.09Å; F155-F157 AromaticContact CG-CZ 3.9Å; F155-F157 HydrophobicContact CG-CZ 3.9Å; F157-F191 HydrophobicContact CB-CD1 3.53Å; F157-F191 HydrophobicContact CB-CD2 4.23Å; F157-F191 HydrophobicContact CB-CE1 3.52Å; F157-F191 HydrophobicContact CB-CE2 4.22Å; F157-F191 HydrophobicContact CB-CG 3.9Å; F157-F191 HydrophobicContact CB-CZ 3.87Å; F157-F191 HydrophobicContact CD1-CB 3.89Å; F157-F191 AromaticContact CD1-CD1 3.59Å; F157-F191 HydrophobicContact CD1-CD1 3.59Å; F157-F191 HydrophobicContact CD1-CE1 4.38Å; F157-F191 AromaticContact CD1-CG 3.89Å; F157-F191 HydrophobicContact CD1-CG 3.89Å; F157-F191 HydrophobicContact CD2-CB 3.82Å; F157-F191 HydrophobicContact CD2-CD1 4.2Å; F157-F191 HydrophobicContact CD2-CD2 4.09Å; F157-F191 AromaticContact CD2-CG 3.76Å; F157-F191 HydrophobicContact CD2-CG 3.76Å; F157-F191 HydrophobicContact CE1-CB 3.88Å; F157-F191 HydrophobicContact CE1-CD1 4.38Å; F157-F191 HydrophobicContact CE1-CG 4.39Å; F157-F191 HydrophobicContact CE2-CB 3.8Å; F157-F191 HydrophobicContact CE2-CG 4.27Å; F157-F191 HydrophobicContact CG-CB 3.87Å; F157-F191 AromaticContact CG-CD1 3.49Å; F157-F191 HydrophobicContact CG-CD1 3.49Å; F157-F191 VanDerWaalsContact CG-CD1 3.49Å; F157-F191 HydrophobicContact CG-CD2 4.15Å; F157-F191 HydrophobicContact CG-CE1 4.05Å; F157-F191 AromaticContact CG-CG 3.55Å; F157-F191 HydrophobicContact CG-CG 3.55Å; F157-F191 HydrophobicContact CZ-CB 3.84Å; F157-K192 WeakPolarHBondContact CZ-O 3.3Å; F157-L193 HydrophobicContact CE2-CD2 3.51Å; F157-L193 HydrophobicContact CZ-CD2 3.61Å; F157-E229 HydrophobicContact CD1-CB 3.98Å; F157-E229 HydrophobicContact CE1-CB 4.08Å
158R91.4Very high90.3Very high77 Ų7766.3 Ų66.329%0.29133%0.33SS..EExtended strand (participates in β ladder)trans-93.4110.5172.5-167.5174.4-166.7158.1-3.9110.2G160 I161 Q228R158-G160 WeakPolarHBondContact CG-O 3.18Å; R158-G160 PolarHBondContact NE-O 3.04Å; R158-I161 PolarHBondContact NH2-O 3.47Å; R158-I161 VanDerWaalsContact NH2-O 3.13Å; R158-Q228 HydrophobicContact CB-CB 4.18Å
159R89.5Confident90.3Very high21 Ų2166.7 Ų66.78%0.07933%0.333CS..SBendtrans-71.6-39.6175.2-172.2-81.4-54.9157.48.4111.4G140 T141 I143 R163 A165 H189G140-R159 VanDerWaalsContact O-CZ 3.28Å; G140-R159 PolarHBondContact O-NE 2.97Å; G140-R159 PolarHBondContact O-NH2 2.83Å; T141-R159 PolarHBondContact O-N 3.22Å; I143-R159 HydrophobicContact CG1-CB 4.42Å; R159-R163 PolarHBondContact NH1-O 3.38Å; R159-R163 PolarHBondContact NH2-O 3.06Å; R159-A165 VanDerWaalsContact NH2-N 3.15Å; R159-H189 PolarHBondContact O-CE1 2.81Å
160G75.7Confident90.4Very high15 Ų1563.8 Ų63.816%0.15531%0.314CS..  trans-155.9154.7-179.600000113.7R158R158-G160 WeakPolarHBondContact CG-O 3.18Å; R158-G160 PolarHBondContact NE-O 3.04Å
161I64.3Low90.5Very high112 Ų11260.8 Ų60.857%0.57429%0.293SS*.SBendtrans-87.1-48.2-175.4-59.8174.6000112.4R158R158-I161 PolarHBondContact NH2-O 3.47Å; R158-I161 VanDerWaalsContact NH2-O 3.13Å
162K65.5Low90.5Very high196 Ų19660.9 Ų60.985%0.85229%0.289SS*.SBendtrans-117.9-13.2-166.8-64.4-170.8177.6-177.70115.6
163R78Confident90.5Very high201 Ų20155.5 Ų55.576%0.75826%0.264SS*.  trans-119.9119.8-173-65.8-171.4-177-1751.6111.2R159R159-R163 PolarHBondContact NH1-O 3.38Å; R159-R163 PolarHBondContact NH2-O 3.06Å
164C90Very high90.3Very high91 Ų9153.4 Ų53.462%0.61527%0.269SS*.  trans-58.4146.4163.8-61.90000109.5K139K139-C164 VanDerWaalsContact O-CA 3.25Å; K139-C164 WeakPolarHBondContact O-CA 3.21Å; K139-C164 WeakPolarHBondContact O-CB 3.42Å
165A91.8Very high90.1Very high2 Ų253.3 Ų53.32%0.01727%0.269CS..  trans-145.2137.6175.300000108.8K139 G140 R159 I167 N184 T185K139-A165 PolarHBondContact O-N 3.46Å; G140-A165 WeakPolarHBondContact CA-O 3.45Å; R159-A165 VanDerWaalsContact NH2-N 3.15Å; A165-I167 PolarHBondContact O-N 2.85Å; A165-N184 VanDerWaalsContact CA-OD1 3.23Å; A165-N184 WeakPolarHBondContact CA-OD1 3.27Å; A165-N184 VanDerWaalsContact CB-OD1 3.27Å; A165-N184 WeakPolarHBondContact CB-OD1 3.4Å; A165-T185 HydrophobicContact CB-CG2 4.16Å
166S94Very high90.1Very high65 Ų6552.4 Ų52.446%0.45527%0.266SS..  trans-73.8111.4174.5-55.10000108.3S183 N184S166-S183 CarbonylContact O-C 3.44Å; S166-S183 WeakPolarHBondContact O-CA 3.49Å; S166-S183 WeakPolarHBondContact O-CB 3.17Å; S166-N184 PolarHBondContact N-OD1 2.86Å; S166-N184 PolarHBondContact O-N 3.31Å
167I96.7Very high90.1Very high10 Ų1054.1 Ų54.15%0.05128%0.276CS..EExtended strand (participates in β ladder)trans-70131.1176.1-55.5-48.4000108.5A123 A136 I143 A165 L170 T182A123-I167 HydrophobicContact CB-CB 4.38Å; A123-I167 HydrophobicContact CB-CG2 3.79Å; A136-I167 HydrophobicContact CB-CB 4.21Å; A136-I167 HydrophobicContact CB-CG1 3.76Å; A136-I167 HydrophobicContact CB-CG2 4.26Å; I143-I167 HydrophobicContact CD1-CD1 4.28Å; I143-I167 HydrophobicContact CD1-CG1 4.25Å; A165-I167 PolarHBondContact O-N 2.85Å; I167-L170 HydrophobicContact CG2-CD2 4.35Å; I167-L170 HydrophobicContact CG2-CG 4.28Å; I167-T182 WeakPolarHBondContact CA-O 3.45Å; I167-T182 WeakPolarHBondContact CG2-O 3.34Å
168Y96.4Very high90.3Very high64 Ų6454.2 Ų54.225%0.25128%0.276SS..EExtended strand (participates in β ladder)trans-101.8-38.9179.3-65.8-27.3000112.2T182 S183 N184 G241 C242 K243 N244Y168-T182 PolarHBondContact N-O 2.89Å; Y168-S183 VanDerWaalsContact CD2-O 3.26Å; Y168-S183 WeakPolarHBondContact CD2-O 3.38Å; Y168-S183 WeakPolarHBondContact CE2-O 3.49Å; Y168-N184 HydrophobicContact CE1-CB 4.29Å; Y168-N184 VanDerWaalsContact CE2-CA 3.43Å; Y168-N184 HydrophobicContact CE2-CB 4Å; Y168-N184 WeakPolarHBondContact OH-CB 3.08Å; Y168-G241 PolarHBondContact OH-O 2.91Å; Y168-C242 WeakPolarHBondContact CE2-O 3.37Å; Y168-K243 HydrophobicContact CD1-CG 4.23Å; Y168-K243 HydrophobicContact CE1-CG 3.91Å; Y168-K243 HydrophobicContact CE2-CB 4.49Å; Y168-K243 HydrophobicContact CE2-CG 4.23Å; Y168-N244 WeakPolarHBondContact CB-O 3.02Å
169S97Very high90.6Very high16 Ų1650.5 Ų50.511%0.11226%0.262CS..EExtended strand (participates in β ladder)trans-151.3141-175.7-172.90000111.6C181 T182 C246S169-C181 WeakPolarHBondContact O-CA 3.49Å; S169-T182 WeakPolarHBondContact CB-OG1 3.42Å; S169-T182 PolarHBondContact N-OG1 3.09Å; S169-T182 PolarHBondContact O-N 2.93Å; S169-C246 PolarHBondContact OG-N 3.03Å; S169-C246 PolarHBondContact OG-SG 2.7Å
170L98.4Very high91Very high7 Ų749.5 Ų49.54%0.03726%0.258CS..EExtended strand (participates in β ladder)trans-117.9137.6166.5-67.3173.2000107.8A123 K125 A134 A136 I143 I167 L179 C180 C181A123-L170 HydrophobicContact CB-CD1 3.69Å; A123-L170 HydrophobicContact CB-CG 3.95Å; K125-L170 HydrophobicContact CB-CB 3.83Å; K125-L170 WeakPolarHBondContact CD-O 3.48Å; K125-L170 VanDerWaalsContact CG-O 3.25Å; K125-L170 WeakPolarHBondContact CG-O 3.49Å; A134-L170 HydrophobicContact CB-CD1 4.04Å; A136-L170 HydrophobicContact CB-CD1 4.41Å; I143-L170 HydrophobicContact CD1-CD2 4.35Å; I143-L170 HydrophobicContact CG2-CD2 3.93Å; I167-L170 HydrophobicContact CG2-CD2 4.35Å; I167-L170 HydrophobicContact CG2-CG 4.28Å; L170-L179 HydrophobicContact CB-CD1 4.41Å; L170-C180 CarbonylContact C-O 3.58Å; L170-C180 WeakPolarHBondContact CA-O 3.26Å; L170-C181 HydrophobicContact CD2-CB 3.77Å
171A98.3Very high92Very high9 Ų948.9 Ų48.97%0.07425%0.251CS..EExtended strand (participates in β ladder)trans-147122.3178.300000112.1C180 C246A171-C180 PolarHBondContact N-O 3.3Å; A171-C180 PolarHBondContact O-N 2.96Å; A171-C246 VanDerWaalsContact CB-O 3.3Å; A171-C246 WeakPolarHBondContact CB-O 3.48Å
172F98Very high93.6Very high21 Ų2143.6 Ų43.69%0.09222%0.224CC..EExtended strand (participates in β ladder)trans-73.3149.2168.8-74-93000110.9K125 N127 R132 A134 V145 F178 L179 L193K125-F172 VanDerWaalsContact O-CE2 3.3Å; K125-F172 WeakPolarHBondContact O-CE2 3.33Å; N127-F172 HydrophobicContact CB-CB 3.98Å; N127-F172 HydrophobicContact CB-CD1 3.8Å; N127-F172 HydrophobicContact CB-CD2 3.79Å; N127-F172 HydrophobicContact CB-CE1 4.18Å; N127-F172 HydrophobicContact CB-CE2 4.19Å; N127-F172 HydrophobicContact CB-CG 3.57Å; N127-F172 HydrophobicContact CB-CZ 4.37Å; R132-F172 HydrophobicContact CB-CE1 4.17Å; R132-F172 HydrophobicContact CB-CZ 4.07Å; A134-F172 HydrophobicContact CB-CE2 3.52Å; A134-F172 HydrophobicContact CB-CZ 3.71Å; V145-F172 HydrophobicContact CG1-CE1 4.25Å; V145-F172 HydrophobicContact CG1-CZ 4Å; V145-F172 HydrophobicContact CG2-CZ 4.43Å; F172-F178 CarbonylContact C-O 3.5Å; F172-F178 WeakPolarHBondContact CA-O 3.11Å; F172-L179 HydrophobicContact CD1-CD1 4.4Å; F172-L179 HydrophobicContact CD2-CD1 3.99Å; F172-L179 HydrophobicContact CE1-CD1 4.4Å; F172-L179 HydrophobicContact CE2-CD1 3.96Å; F172-L179 HydrophobicContact CG-CD1 4.22Å; F172-L179 HydrophobicContact CZ-CD1 4.19Å; F172-L193 HydrophobicContact CD1-CD1 3.72Å; F172-L193 HydrophobicContact CE1-CD1 3.46Å; F172-L193 VanDerWaalsContact CE1-CD1 3.46Å
173S96.5Very high95Very high9 Ų934.4 Ų34.46%0.06319%0.185CC..BIsolated β-bridgetrans-65157.1159.660.70000110.4D175 S176 L177 F178S173-D175 VanDerWaalsContact CB-OD1 3.29Å; S173-D175 WeakPolarHBondContact CB-OD1 3.49Å; S173-D175 PolarHBondContact O-N 3.09Å; S173-D175 VanDerWaalsContact O-N 3.14Å; S173-D175 PolarHBondContact OG-OD1 2.76Å; S173-S176 PolarHBondContact O-N 3.26Å; S173-L177 PolarHBondContact OG-N 2.83Å; S173-F178 PolarHBondContact N-O 3.05Å; S173-F178 PolarHBondContact OG-N 3.18Å; S173-F178 PolarHBondContact OG-O 3.25Å
174S92.8Very high95.8Very high81 Ų8127.5 Ų27.557%0.56616%0.163SC*.THydrogen-bonded Turntrans-58.8-27.9-177.6530000114.2S128S128-S174 PolarHBondContact OG-O 2.62Å; S128-S174 VanDerWaalsContact OG-O 3.11Å
175D93.4Very high95.9Very high58 Ų5825.3 Ų25.331%0.3115%0.147SC..THydrogen-bonded Turntrans-95.26.5176.655.213.9000113.6S173 L177 R273S173-D175 VanDerWaalsContact CB-OD1 3.29Å; S173-D175 WeakPolarHBondContact CB-OD1 3.49Å; S173-D175 PolarHBondContact O-N 3.09Å; S173-D175 VanDerWaalsContact O-N 3.14Å; S173-D175 PolarHBondContact OG-OD1 2.76Å; D175-L177 HydrophobicContact CB-CD1 4.47Å; D175-L177 HydrophobicContact CB-CG 4.38Å; D175-L177 PolarHBondContact O-N 2.8Å; D175-L177 VanDerWaalsContact O-N 3.1Å; D175-L177 PolarHBondContact OD1-N 3.03Å; D175-R273 IonicContact OD2-CZ 3.04Å; D175-R273 IonicContact OD2-NH1 3.88Å; D175-R273 PolarHBondContact OD2-NH1 2.86Å; D175-R273 IonicContact OD2-NH2 2.62Å; D175-R273 PolarHBondContact OD2-NH2 2.77Å
176S95.2Very high96Very high8 Ų827.8 Ų27.86%0.05616%0.158CC..SBendtrans59.818.8178.1-52.90000115.5N127 R132 S173 L193N127-S176 WeakPolarHBondContact CB-OG 3.5Å; N127-S176 PolarHBondContact ND2-OG 3.19Å; R132-S176 PolarHBondContact NH1-O 3.2Å; R132-S176 VanDerWaalsContact NH1-O 3.15Å; S173-S176 PolarHBondContact O-N 3.26Å; S176-L193 WeakPolarHBondContact O-CD1 3.47Å
177L95.7Very high95.9Very high71 Ų7127.2 Ų27.237%0.37215%0.152SC..SBendtrans-89.2-15.9178.6-66178.4000113.7S173 D175 L193S173-L177 PolarHBondContact OG-N 2.83Å; D175-L177 HydrophobicContact CB-CD1 4.47Å; D175-L177 HydrophobicContact CB-CG 4.38Å; D175-L177 PolarHBondContact O-N 2.8Å; D175-L177 VanDerWaalsContact O-N 3.1Å; D175-L177 PolarHBondContact OD1-N 3.03Å; L177-L193 PolarHBondContact O-N 3.08Å
178F97.2Very high95.9Very high4 Ų426.8 Ų26.82%0.01815%0.15CC..EExtended strand (participates in β ladder)trans-135.7150.2179.8-58.8-84.1000111.7F172 S173 I190 F191 K192 F232 L248 F271 R273F172-F178 CarbonylContact C-O 3.5Å; F172-F178 WeakPolarHBondContact CA-O 3.11Å; S173-F178 PolarHBondContact N-O 3.05Å; S173-F178 PolarHBondContact OG-N 3.18Å; S173-F178 PolarHBondContact OG-O 3.25Å; F178-I190 HydrophobicContact CB-CG2 4.12Å; F178-I190 HydrophobicContact CD1-CG2 4.16Å; F178-I190 HydrophobicContact CG-CG2 4.49Å; F178-F191 CarbonylContact C-O 3.16Å; F178-F191 WeakPolarHBondContact CA-O 3.27Å; F178-K192 HydrophobicContact CD1-CB 4.12Å; F178-K192 HydrophobicContact CD1-CG 4.11Å; F178-K192 HydrophobicContact CE1-CB 4Å; F178-K192 HydrophobicContact CE1-CD 4.07Å; F178-K192 HydrophobicContact CE1-CG 3.63Å; F178-K192 HydrophobicContact CZ-CG 4.32Å; F178-F232 HydrophobicContact CD1-CD1 4.14Å; F178-F232 HydrophobicContact CD1-CE1 4.37Å; F178-F232 AromaticContact CE1-CD1 3.7Å; F178-F232 HydrophobicContact CE1-CD1 3.7Å; F178-F232 AromaticContact CE1-CE1 3.54Å; F178-F232 HydrophobicContact CE1-CE1 3.54Å; F178-F232 HydrophobicContact CE1-CZ 4.25Å; F178-F232 HydrophobicContact CZ-CE1 4.27Å; F178-L248 HydrophobicContact CB-CD1 3.7Å; F178-F271 HydrophobicContact CD1-CE1 4.27Å; F178-F271 AromaticContact CD1-CZ 3.65Å; F178-F271 HydrophobicContact CD1-CZ 3.65Å; F178-F271 HydrophobicContact CD2-CE1 4.04Å; F178-F271 HydrophobicContact CD2-CZ 4.21Å; F178-F271 HydrophobicContact CE1-CE1 4.47Å; F178-F271 AromaticContact CE1-CZ 3.74Å; F178-F271 HydrophobicContact CE1-CZ 3.74Å; F178-F271 HydrophobicContact CE2-CE1 4.27Å; F178-F271 HydrophobicContact CE2-CZ 4.3Å; F178-F271 HydrophobicContact CG-CE1 4.04Å; F178-F271 AromaticContact CG-CZ 3.89Å; F178-F271 HydrophobicContact CG-CZ 3.89Å; F178-F271 HydrophobicContact CZ-CE1 4.48Å; F178-F271 HydrophobicContact CZ-CZ 4.07Å; F178-R273 HydrophobicContact CE2-CB 4.25Å; F178-R273 HydrophobicContact CE2-CG 4.02Å; F178-R273 HydrophobicContact CZ-CB 4.17Å; F178-R273 HydrophobicContact CZ-CG 4.34Å; F178-R273 WeakPolarHBondContact CZ-O 3.49Å
179L98Very high95.9Very high0 Ų024.9 Ų24.90%014%0.143CC..EExtended strand (participates in β ladder)trans-125.5117.8173.2178.766.7000109.8A134 I143 V145 L170 F172 I190 F191 L193A134-L179 HydrophobicContact CB-CD1 3.76Å; A134-L179 HydrophobicContact CB-CD2 3.72Å; A134-L179 HydrophobicContact CB-CG 4.42Å; I143-L179 HydrophobicContact CG2-CD2 3.7Å; V145-L179 HydrophobicContact CG2-CD2 3.71Å; L170-L179 HydrophobicContact CB-CD1 4.41Å; F172-L179 HydrophobicContact CD1-CD1 4.4Å; F172-L179 HydrophobicContact CD2-CD1 3.99Å; F172-L179 HydrophobicContact CE1-CD1 4.4Å; F172-L179 HydrophobicContact CE2-CD1 3.96Å; F172-L179 HydrophobicContact CG-CD1 4.22Å; F172-L179 HydrophobicContact CZ-CD1 4.19Å; L179-I190 CarbonylContact O-C 3.53Å; L179-I190 WeakPolarHBondContact O-CA 3.48Å; L179-F191 PolarHBondContact N-O 2.94Å; L179-F191 PolarHBondContact O-N 2.8Å; L179-L193 HydrophobicContact CB-CD1 4.25Å; L179-L193 HydrophobicContact CB-CD2 4.31Å; L179-L193 HydrophobicContact CB-CG 4.5Å
180C97.5Very high95.9Very high0 Ų024.1 Ų24.10%014%0.138CC..EExtended strand (participates in β ladder)trans-90.6141.4171.1-1790000110.8L170 A171 I188 H189 I190 L248 L257L170-C180 CarbonylContact C-O 3.58Å; L170-C180 WeakPolarHBondContact CA-O 3.26Å; A171-C180 PolarHBondContact N-O 3.3Å; A171-C180 PolarHBondContact O-N 2.96Å; C180-I188 WeakPolarHBondContact SG-CG2 3.32Å; C180-H189 CarbonylContact C-O 3.55Å; C180-H189 WeakPolarHBondContact CA-O 2.95Å; C180-I190 HydrophobicContact CB-CG1 4.35Å; C180-L248 HydrophobicContact CB-CD1 3.79Å; C180-L248 HydrophobicContact CB-CD2 4.44Å; C180-L248 HydrophobicContact CB-CG 3.84Å; C180-L257 HydrophobicContact CB-CD1 4.41Å; C180-L257 WeakPolarHBondContact SG-CD1 3.11Å
181C97.6Very high95.8Very high1 Ų123.8 Ų23.81%0.00714%0.136CC..EExtended strand (participates in β ladder)trans-133.7124.8178.1178.40000110.2S169 L170 H189 F191S169-C181 WeakPolarHBondContact O-CA 3.49Å; L170-C181 HydrophobicContact CD2-CB 3.77Å; C181-H189 PolarHBondContact N-O 2.8Å; C181-H189 PolarHBondContact O-N 3.39Å; C181-F191 HydrophobicContact CB-CE2 3.94Å
182T96.8Very high95.7Very high1 Ų126.3 Ų26.31%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-113156.417268.20000111.7I167 Y168 S169 I188 N244 C246I167-T182 WeakPolarHBondContact CA-O 3.45Å; I167-T182 WeakPolarHBondContact CG2-O 3.34Å; Y168-T182 PolarHBondContact N-O 2.89Å; S169-T182 WeakPolarHBondContact CB-OG1 3.42Å; S169-T182 PolarHBondContact N-OG1 3.09Å; S169-T182 PolarHBondContact O-N 2.93Å; T182-I188 HydrophobicContact CG2-CB 4.46Å; T182-I188 HydrophobicContact CG2-CD1 3.95Å; T182-I188 HydrophobicContact CG2-CG1 3.93Å; T182-I188 HydrophobicContact CG2-CG2 3.91Å; T182-N244 WeakPolarHBondContact CB-OD1 3.39Å; T182-N244 VanDerWaalsContact CG2-OD1 3.32Å; T182-N244 WeakPolarHBondContact CG2-OD1 3.37Å; T182-N244 PolarHBondContact OG1-OD1 3.15Å; T182-C246 HydrophobicContact CG2-CB 3.56Å
183S95.6Very high95.5Very high3 Ų325.4 Ų25.42%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-148.1-172.1-179.871.80000111.4S166 Y168 T185S166-S183 CarbonylContact O-C 3.44Å; S166-S183 WeakPolarHBondContact O-CA 3.49Å; S166-S183 WeakPolarHBondContact O-CB 3.17Å; Y168-S183 VanDerWaalsContact CD2-O 3.26Å; Y168-S183 WeakPolarHBondContact CD2-O 3.38Å; Y168-S183 WeakPolarHBondContact CE2-O 3.49Å; S183-T185 PolarHBondContact O-N 3.03Å; S183-T185 PolarHBondContact OG-N 3.01Å; S183-T185 PolarHBondContact OG-OG1 2.84Å
184N94.1Very high94.9Very high57 Ų5727.9 Ų27.931%0.30515%0.154SC..SBendtrans-66.9-8.3171.970.2-53.5000114.3A165 S166 Y168 G241A165-N184 VanDerWaalsContact CA-OD1 3.23Å; A165-N184 WeakPolarHBondContact CA-OD1 3.27Å; A165-N184 VanDerWaalsContact CB-OD1 3.27Å; A165-N184 WeakPolarHBondContact CB-OD1 3.4Å; S166-N184 PolarHBondContact N-OD1 2.86Å; S166-N184 PolarHBondContact O-N 3.31Å; Y168-N184 HydrophobicContact CE1-CB 4.29Å; Y168-N184 VanDerWaalsContact CE2-CA 3.43Å; Y168-N184 HydrophobicContact CE2-CB 4Å; Y168-N184 WeakPolarHBondContact OH-CB 3.08Å; N184-G241 PolarHBondContact O-N 3.34Å; N184-G241 VanDerWaalsContact O-N 3.14Å
185T93.3Very high93.6Very high44 Ų4429.1 Ų29.127%0.2716%0.158SC..SBendtrans-87.4158.4171.970.60000111.9A165 S183 T187A165-T185 HydrophobicContact CB-CG2 4.16Å; S183-T185 PolarHBondContact O-N 3.03Å; S183-T185 PolarHBondContact OG-N 3.01Å; S183-T185 PolarHBondContact OG-OG1 2.84Å; T185-T187 PolarHBondContact O-N 3.2Å; T185-T187 PolarHBondContact OG1-O 3Å
186E92.4Very high91.7Very high55 Ų5531.1 Ų31.126%0.25718%0.177SC..SBendtrans-64.7-26.2175.3-63.3169.4-170.100113.3R236 L237 A240E186-R236 HydrophobicContact CB-CG 3.97Å; E186-R236 WeakPolarHBondContact O-CA 3.44Å; E186-R236 IonicContact OE2-CZ 3.24Å; E186-R236 VanDerWaalsContact OE2-CZ 3.24Å; E186-R236 IonicContact OE2-NE 2.8Å; E186-R236 PolarHBondContact OE2-NE 2.91Å; E186-R236 IonicContact OE2-NH2 2.77Å; E186-R236 PolarHBondContact OE2-NH2 3.39Å; E186-L237 PolarHBondContact O-N 3Å; E186-A240 HydrophobicContact CG-CB 3.7Å
187T93.9Very high89.2Confident53 Ų5334.5 Ų34.533%0.32521%0.205SC..EExtended strand (participates in β ladder)trans-78.3125.8-177.8-49.50000111.1T185 T234 A235T185-T187 PolarHBondContact O-N 3.2Å; T185-T187 PolarHBondContact OG1-O 3Å; T187-T234 HydrophobicContact CG2-CG2 4.25Å; T187-A235 WeakPolarHBondContact CA-O 3.35Å
188I96Very high86.2Confident0 Ų038.7 Ų38.70%022%0.223CC..EExtended strand (participates in β ladder)trans-100.3136.1168-56.2-179000107.5C180 T182 T234 A235 L237 L257 V259C180-I188 WeakPolarHBondContact SG-CG2 3.32Å; T182-I188 HydrophobicContact CG2-CB 4.46Å; T182-I188 HydrophobicContact CG2-CD1 3.95Å; T182-I188 HydrophobicContact CG2-CG1 3.93Å; T182-I188 HydrophobicContact CG2-CG2 3.91Å; I188-T234 CarbonylContact O-C 3.57Å; I188-T234 WeakPolarHBondContact O-CA 3.12Å; I188-A235 HydrophobicContact CB-CB 4.13Å; I188-A235 HydrophobicContact CD1-CB 4.47Å; I188-A235 PolarHBondContact N-O 3.11Å; I188-A235 PolarHBondContact O-N 3.25Å; I188-L237 HydrophobicContact CD1-CD1 4.18Å; I188-L237 HydrophobicContact CD1-CD2 4.14Å; I188-L237 HydrophobicContact CD1-CG 3.9Å; I188-L237 HydrophobicContact CG1-CD1 4.4Å; I188-L237 HydrophobicContact CG1-CG 4.31Å; I188-L257 HydrophobicContact CB-CD2 4.49Å; I188-L257 HydrophobicContact CD1-CD2 4.2Å; I188-L257 HydrophobicContact CG2-CD2 3.93Å; I188-V259 HydrophobicContact CD1-CB 4.36Å; I188-V259 HydrophobicContact CD1-CG1 4.16Å; I188-V259 HydrophobicContact CD1-CG2 3.4Å; I188-V259 VanDerWaalsContact CD1-CG2 3.4Å
189H96.5Very high83.4Confident25 Ų2543.8 Ų43.812%0.11626%0.256CS..EExtended strand (participates in β ladder)trans-111.8135.7179.8-63.5-93.3000110.1R159 C180 C181 F191 A231R159-H189 PolarHBondContact O-CE1 2.81Å; C180-H189 CarbonylContact C-O 3.55Å; C180-H189 WeakPolarHBondContact CA-O 2.95Å; C181-H189 PolarHBondContact N-O 2.8Å; C181-H189 PolarHBondContact O-N 3.39Å; H189-F191 HydrophobicContact CB-CE1 4.25Å; H189-F191 HydrophobicContact CB-CE2 4Å; H189-F191 HydrophobicContact CB-CZ 3.67Å; H189-A231 HydrophobicContact CB-CB 3.95Å
190I97.3Very high80.5Confident0 Ų050 Ų500%029%0.288CS..EExtended strand (participates in β ladder)trans-117.5123.4171.3-57.9169.6000107.3F178 L179 C180 A231 F232 A233 L248 L257 F271F178-I190 HydrophobicContact CB-CG2 4.12Å; F178-I190 HydrophobicContact CD1-CG2 4.16Å; F178-I190 HydrophobicContact CG-CG2 4.49Å; L179-I190 CarbonylContact O-C 3.53Å; L179-I190 WeakPolarHBondContact O-CA 3.48Å; C180-I190 HydrophobicContact CB-CG1 4.35Å; I190-A231 CarbonylContact O-C 3.45Å; I190-F232 WeakPolarHBondContact O-CB 3Å; I190-F232 PolarHBondContact O-N 3.41Å; I190-A233 HydrophobicContact CB-CB 4.06Å; I190-A233 HydrophobicContact CD1-CB 4.11Å; I190-A233 PolarHBondContact N-O 2.82Å; I190-A233 PolarHBondContact O-N 2.74Å; I190-A233 VanDerWaalsContact O-N 3.11Å; I190-L248 HydrophobicContact CD1-CD2 4.02Å; I190-L248 HydrophobicContact CG2-CD1 4.21Å; I190-L257 HydrophobicContact CD1-CD2 4.34Å; I190-F271 HydrophobicContact CD1-CD2 3.69Å; I190-F271 HydrophobicContact CD1-CE2 3.92Å; I190-F271 HydrophobicContact CD1-CG 4.17Å; I190-F271 HydrophobicContact CG2-CE2 3.98Å; I190-F271 HydrophobicContact CG2-CZ 3.87Å
191F96.3Very high77.5Confident0 Ų055 Ų550%032%0.323CS..EExtended strand (participates in β ladder)trans-103.2142.5176.6-52.4-71.9000109.5I143 F157 F178 L179 C181 H189 A231I143-F191 HydrophobicContact CB-CE2 4.39Å; I143-F191 HydrophobicContact CG1-CE2 4.03Å; I143-F191 HydrophobicContact CG1-CZ 4.4Å; F157-F191 HydrophobicContact CB-CD1 3.53Å; F157-F191 HydrophobicContact CB-CD2 4.23Å; F157-F191 HydrophobicContact CB-CE1 3.52Å; F157-F191 HydrophobicContact CB-CE2 4.22Å; F157-F191 HydrophobicContact CB-CG 3.9Å; F157-F191 HydrophobicContact CB-CZ 3.87Å; F157-F191 HydrophobicContact CD1-CB 3.89Å; F157-F191 AromaticContact CD1-CD1 3.59Å; F157-F191 HydrophobicContact CD1-CD1 3.59Å; F157-F191 HydrophobicContact CD1-CE1 4.38Å; F157-F191 AromaticContact CD1-CG 3.89Å; F157-F191 HydrophobicContact CD1-CG 3.89Å; F157-F191 HydrophobicContact CD2-CB 3.82Å; F157-F191 HydrophobicContact CD2-CD1 4.2Å; F157-F191 HydrophobicContact CD2-CD2 4.09Å; F157-F191 AromaticContact CD2-CG 3.76Å; F157-F191 HydrophobicContact CD2-CG 3.76Å; F157-F191 HydrophobicContact CE1-CB 3.88Å; F157-F191 HydrophobicContact CE1-CD1 4.38Å; F157-F191 HydrophobicContact CE1-CG 4.39Å; F157-F191 HydrophobicContact CE2-CB 3.8Å; F157-F191 HydrophobicContact CE2-CG 4.27Å; F157-F191 HydrophobicContact CG-CB 3.87Å; F157-F191 AromaticContact CG-CD1 3.49Å; F157-F191 HydrophobicContact CG-CD1 3.49Å; F157-F191 VanDerWaalsContact CG-CD1 3.49Å; F157-F191 HydrophobicContact CG-CD2 4.15Å; F157-F191 HydrophobicContact CG-CE1 4.05Å; F157-F191 AromaticContact CG-CG 3.55Å; F157-F191 HydrophobicContact CG-CG 3.55Å; F157-F191 HydrophobicContact CZ-CB 3.84Å; F178-F191 CarbonylContact C-O 3.16Å; F178-F191 WeakPolarHBondContact CA-O 3.27Å; L179-F191 PolarHBondContact N-O 2.94Å; L179-F191 PolarHBondContact O-N 2.8Å; C181-F191 HydrophobicContact CB-CE2 3.94Å; H189-F191 HydrophobicContact CB-CE1 4.25Å; H189-F191 HydrophobicContact CB-CE2 4Å; H189-F191 HydrophobicContact CB-CZ 3.67Å; F191-A231 HydrophobicContact CD1-CB 4.3Å; F191-A231 HydrophobicContact CE1-CB 3.99Å
192K95.5Very high74.5Confident62 Ų6257.9 Ų57.927%0.2734%0.343SS..EExtended strand (participates in β ladder)trans-92.8139.4173.1-167.1174.5-174.8-143.20108.5F157 F178 D194 F232F157-K192 WeakPolarHBondContact CZ-O 3.3Å; F178-K192 HydrophobicContact CD1-CB 4.12Å; F178-K192 HydrophobicContact CD1-CG 4.11Å; F178-K192 HydrophobicContact CE1-CB 4Å; F178-K192 HydrophobicContact CE1-CD 4.07Å; F178-K192 HydrophobicContact CE1-CG 3.63Å; F178-K192 HydrophobicContact CZ-CG 4.32Å; K192-D194 WeakPolarHBondContact CD-OD2 3.15Å; K192-D194 VanDerWaalsContact CE-CG 3.47Å; K192-D194 WeakPolarHBondContact CE-OD1 3.32Å; K192-D194 WeakPolarHBondContact CE-OD2 3.44Å; K192-D194 IonicContact NZ-OD1 2.84Å; K192-D194 PolarHBondContact NZ-OD1 3.42Å; K192-D194 IonicContact NZ-OD2 2.76Å; K192-D194 PolarHBondContact NZ-OD2 2.69Å; K192-F232 HydrophobicContact CB-CB 3.9Å; K192-F232 HydrophobicContact CB-CD1 4.45Å; K192-F232 HydrophobicContact CB-CD2 4.18Å; K192-F232 HydrophobicContact CB-CG 3.93Å; K192-F232 HydrophobicContact CD-CD2 3.95Å; K192-F232 HydrophobicContact CD-CE2 3.93Å; K192-F232 HydrophobicContact CD-CG 4.39Å; K192-F232 HydrophobicContact CD-CZ 4.34Å
193L94.6Very high71.9Confident1 Ų163 Ų631%0.00537%0.374CS..  trans-110.654.8-173.8-56179.2000110.5V145 F155 F157 F172 S176 L177 L179 T195V145-L193 HydrophobicContact CG2-CD2 4.21Å; F155-L193 HydrophobicContact CD2-CD2 3.91Å; F155-L193 HydrophobicContact CE2-CB 4Å; F155-L193 HydrophobicContact CE2-CD2 4.22Å; F155-L193 HydrophobicContact CG-CD2 4.11Å; F155-L193 HydrophobicContact CZ-CB 4.03Å; F157-L193 HydrophobicContact CE2-CD2 3.51Å; F157-L193 HydrophobicContact CZ-CD2 3.61Å; F172-L193 HydrophobicContact CD1-CD1 3.72Å; F172-L193 HydrophobicContact CE1-CD1 3.46Å; F172-L193 VanDerWaalsContact CE1-CD1 3.46Å; S176-L193 WeakPolarHBondContact O-CD1 3.47Å; L177-L193 PolarHBondContact O-N 3.08Å; L179-L193 HydrophobicContact CB-CD1 4.25Å; L179-L193 HydrophobicContact CB-CD2 4.31Å; L179-L193 HydrophobicContact CB-CG 4.5Å; L193-T195 PolarHBondContact O-N 3.27Å
194D83.4Confident69.5Low62 Ų6270.7 Ų70.733%0.33241%0.41SS..  trans-73.9118.7-178.9-74.5-19.4000110.2F155 K192 S196F155-D194 WeakPolarHBondContact CE1-O 3.39Å; K192-D194 WeakPolarHBondContact CD-OD2 3.15Å; K192-D194 VanDerWaalsContact CE-CG 3.47Å; K192-D194 WeakPolarHBondContact CE-OD1 3.32Å; K192-D194 WeakPolarHBondContact CE-OD2 3.44Å; K192-D194 IonicContact NZ-OD1 2.84Å; K192-D194 PolarHBondContact NZ-OD1 3.42Å; K192-D194 IonicContact NZ-OD2 2.76Å; K192-D194 PolarHBondContact NZ-OD2 2.69Å; D194-S196 PolarHBondContact O-N 3.49Å
195T66Low67Low106 Ų10673.7 Ų73.765%0.6543%0.426SS*.THydrogen-bonded Turntrans-83.8-0.2176.2-44.90000111.8R132 L193 A197R132-T195 PolarHBondContact NH2-OG1 2.92Å; L193-T195 PolarHBondContact O-N 3.27Å; T195-A197 PolarHBondContact O-N 3.02Å
196S53.6Low64.6Low101 Ų10180.1 Ų80.171%0.70645%0.445SS*.THydrogen-bonded Turntrans-91.514.5-174.561.50000114.7D194 E198D194-S196 PolarHBondContact O-N 3.49Å; S196-E198 PolarHBondContact O-N 2.86Å
197A41.8Very low62.6Low78 Ų7879.6 Ų79.665%0.64545%0.445SS*.  trans-73.596.9166.200000107.8T195T195-A197 PolarHBondContact O-N 3.02Å
198E32.9Very low60.6Low160 Ų16081.5 Ų81.575%0.74846%0.461SS*.  trans-50.2139.5159.6-69.7-152.2157.500108.1S196 I200S196-E198 PolarHBondContact O-N 2.86Å; E198-I200 PolarHBondContact O-N 2.85Å; E198-I200 VanDerWaalsContact O-N 3.09Å
199P37.8Very low58.6Low110 Ų11089.7 Ų89.771%0.71450%0.497SS*.  trans-53.7127.6173.124.5-31.1000106.3S201P199-S201 PolarHBondContact O-N 3.49Å
200I38.8Very low56.6Low130 Ų13091.4 Ų91.467%0.66751%0.509SS*.  trans-61.286.8179.2-61166.2000107.6E198 S202E198-I200 PolarHBondContact O-N 2.85Å; E198-I200 VanDerWaalsContact O-N 3.09Å; I200-S202 PolarHBondContact O-N 2.88Å
201S34.2Very low54.2Low105 Ų10593.6 Ų93.673%0.73453%0.532SS*.  trans-8854.4166.660.40000107.5P199P199-S201 PolarHBondContact O-N 3.49Å
202S33.4Very low52Low62 Ų62104.3 Ų104.343%0.43457%0.572SS.*  trans-157.468.4168.8570000110.5I200 H204I200-S202 PolarHBondContact O-N 2.88Å; S202-H204 PolarHBondContact O-N 3.24Å
203V43.6Very low49.9Very low109 Ų109107 Ų10766%0.66159%0.594SS**THydrogen-bonded Turntrans-65.19153-170.70000110.8V207V203-V207 HydrophobicContact CG1-CG2 4.08Å; V203-V207 WeakPolarHBondContact O-CG2 3.44Å
204H43.6Very low48Very low165 Ų165109.1 Ų109.176%0.76461%0.612SS**THydrogen-bonded Turntrans-87.9-18.5-176.4-105-67.6000115.6S202S202-H204 PolarHBondContact O-N 3.24Å
205D41.4Very low46.6Very low120 Ų120108 Ų10864%0.64261%0.611SS**THydrogen-bonded Turntrans-98.1-13.6-179.5-86.9-18.6000114.9S208D205-S208 PolarHBondContact O-OG 2.76Å
206W43.8Very low46.2Very low178 Ų178107.6 Ų107.667%0.67461%0.612SS**THydrogen-bonded Turntrans-94.8-24.4175-86.371.9000113.1S208 F209 V210W206-S208 PolarHBondContact O-N 3.22Å; W206-F209 PolarHBondContact O-N 3.18Å; W206-F209 VanDerWaalsContact O-N 3.14Å; W206-V210 HydrophobicContact CE3-CG2 4.13Å; W206-V210 PolarHBondContact O-N 2.85Å
207V50.7Low46.4Very low44 Ų44112 Ų11227%0.26762%0.615SS.*THydrogen-bonded Turntrans-70.4-16.2174.4178.30000111.7V203 V210 R212 A215V203-V207 HydrophobicContact CG1-CG2 4.08Å; V203-V207 WeakPolarHBondContact O-CG2 3.44Å; V207-V210 VanDerWaalsContact O-O 3.13Å; V207-R212 HydrophobicContact CG1-CG 4Å; V207-A215 HydrophobicContact CG2-CB 3.89Å
208S51.5Low46.8Very low93 Ų93113.4 Ų113.465%0.6561%0.611SS**THydrogen-bonded Turntrans-84.8-26.9170.146.90000113.1D205 W206D205-S208 PolarHBondContact O-OG 2.76Å; W206-S208 PolarHBondContact O-N 3.22Å
209F54Low47.6Very low172 Ų172109.2 Ų109.275%0.75460%0.597SS**THydrogen-bonded Turntrans-91.4-33.6178.2-171.5-103.2000113.3W206W206-F209 PolarHBondContact O-N 3.18Å; W206-F209 VanDerWaalsContact O-N 3.14Å
210V55.1Low48.3Very low61 Ų61107.8 Ų107.837%0.3759%0.59SS.*SBendtrans-108.1110.1174.9-172.40000106.8W206 V207 R212 A214W206-V210 HydrophobicContact CE3-CG2 4.13Å; W206-V210 PolarHBondContact O-N 2.85Å; V207-V210 VanDerWaalsContact O-O 3.13Å; V210-R212 PolarHBondContact O-N 2.82Å; V210-A214 HydrophobicContact CG1-CB 3.94Å
211G46Very low49Very low47 Ų47107.9 Ų107.949%0.48559%0.588SS.*  trans-40137.9-173.500000113.1T213 A214G211-T213 PolarHBondContact O-N 3.22Å; G211-A214 PolarHBondContact O-N 2.87Å
212R50.5Low49.8Very low225 Ų225105.2 Ų105.285%0.84957%0.566SS**THydrogen-bonded Turntrans-46.7-4.7-174.6-77.5-176.8-108-160-4.8116.8V207 V210V207-R212 HydrophobicContact CG1-CG 4Å; V210-R212 PolarHBondContact O-N 2.82Å
213T51.8Low50.4Low119 Ų119104.9 Ų104.973%0.7356%0.564SS**THydrogen-bonded Turntrans-95.1-13.4178.9520000114.6G211G211-T213 PolarHBondContact O-N 3.22Å
214A55.2Low50.7Low45 Ų45103.9 Ų103.937%0.37256%0.555SS.*SBendtrans-107-20-173.300000115.5V210 G211 S216 Y217V210-A214 HydrophobicContact CG1-CB 3.94Å; G211-A214 PolarHBondContact O-N 2.87Å; A214-S216 VanDerWaalsContact C-N 3.31Å; A214-S216 PolarHBondContact O-N 3.02Å; A214-Y217 PolarHBondContact O-N 3.42Å
215A53.2Low51Low38 Ų38100.9 Ų100.931%0.31454%0.544SS..G310 helixtrans-69.2-26.3-175.300000113.7V207 Y217V207-A215 HydrophobicContact CG2-CB 3.89Å; A215-Y217 VanDerWaalsContact C-N 3.26Å; A215-Y217 PolarHBondContact O-N 2.87Å
216S57.3Low51.2Low97 Ų97101.3 Ų101.368%0.67855%0.546SS*.G310 helixtrans-78.3-4.5178.453.30000114.5A214A214-S216 VanDerWaalsContact C-N 3.31Å; A214-S216 PolarHBondContact O-N 3.02Å
217Y58.4Low51.5Low194 Ų19499 Ų9976%0.76154%0.542SS*.G310 helixtrans-112.610.7-178.3-69.3-79.4000113.3A214 A215 P219A214-Y217 PolarHBondContact O-N 3.42Å; A215-Y217 VanDerWaalsContact C-N 3.26Å; A215-Y217 PolarHBondContact O-N 2.87Å; Y217-P219 WeakPolarHBondContact O-CD 3.41Å
218L49.9Very low51.9Low108 Ų10898.7 Ų98.757%0.56554%0.538SS*.  trans-76.7114.4177.2-75.1166.5000109.9V222L218-V222 HydrophobicContact CD2-CB 4.15Å; L218-V222 HydrophobicContact CD2-CG1 3.89Å; L218-V222 HydrophobicContact CD2-CG2 4.33Å
219P48.5Very low52.5Low71 Ų7199 Ų9946%0.46153%0.529SS..  trans-59.7147.8173.4-17.730.8000109.9Y217 H221 V222Y217-P219 WeakPolarHBondContact O-CD 3.41Å; P219-H221 PolarHBondContact O-N 3.03Å; P219-V222 HydrophobicContact CG-CG2 4.44Å; P219-V222 PolarHBondContact O-N 2.84Å
220S53.7Low53.7Low80 Ų80100.8 Ų100.856%0.55953%0.531SS*.Hα-helixtrans-49.6-28.8175.6500000113.4V222 S223 D224S220-V222 VanDerWaalsContact C-N 3.28Å; S220-V222 PolarHBondContact O-N 2.83Å; S220-S223 PolarHBondContact O-N 2.87Å; S220-S223 PolarHBondContact O-OG 2.9Å; S220-D224 PolarHBondContact O-N 2.78Å
221H52.7Low55.3Low133 Ų13399.2 Ų99.262%0.61652%0.524SS*.Hα-helixtrans-62.2-25.4174.9-59-49.5000115P219 I225P219-H221 PolarHBondContact O-N 3.03Å; H221-I225 WeakPolarHBondContact O-CD1 3.32Å; H221-I225 VanDerWaalsContact O-CG1 3.24Å; H221-I225 WeakPolarHBondContact O-CG1 3.45Å; H221-I225 PolarHBondContact O-N 3Å
222V52.2Low57.6Low48 Ų4899.3 Ų99.329%0.29151%0.511SS..Hα-helixtrans-81.3-35.8-179.4-174.90000111L218 P219 S220 D224 I225 L226L218-V222 HydrophobicContact CD2-CB 4.15Å; L218-V222 HydrophobicContact CD2-CG1 3.89Å; L218-V222 HydrophobicContact CD2-CG2 4.33Å; P219-V222 HydrophobicContact CG-CG2 4.44Å; P219-V222 PolarHBondContact O-N 2.84Å; S220-V222 VanDerWaalsContact C-N 3.28Å; S220-V222 PolarHBondContact O-N 2.83Å; V222-D224 VanDerWaalsContact C-N 3.34Å; V222-D224 PolarHBondContact O-N 3Å; V222-I225 PolarHBondContact O-N 2.67Å; V222-L226 HydrophobicContact CG1-CD1 4Å; V222-L226 WeakPolarHBondContact O-CD1 3.45Å; V222-L226 PolarHBondContact O-N 3.48Å
223S45.5Very low59.7Low55 Ų5588.7 Ų88.739%0.38547%0.471SS..Hα-helixtrans-59.7-42.7171.914.90000112S220 I225 L226 Q227S220-S223 PolarHBondContact O-N 2.87Å; S220-S223 PolarHBondContact O-OG 2.9Å; S223-I225 VanDerWaalsContact C-N 3.31Å; S223-I225 PolarHBondContact O-N 3.13Å; S223-L226 PolarHBondContact O-N 3.33Å; S223-Q227 PolarHBondContact O-N 2.91Å; S223-Q227 VanDerWaalsContact O-N 3.14Å
224D49.9Very low61.9Low88 Ų8885.2 Ų85.247%0.47145%0.45SS..Hα-helixtrans-65.8-33.1176.4-71.2-23.2000112.4S220 V222 Q228S220-D224 PolarHBondContact O-N 2.78Å; V222-D224 VanDerWaalsContact C-N 3.34Å; V222-D224 PolarHBondContact O-N 3Å; D224-Q228 WeakPolarHBondContact O-CG 3.44Å
225I48.9Very low63.8Low102 Ų10283.2 Ų83.252%0.52343%0.433SS..Hα-helixtrans-70.5-35.6176.6-69.2165.3000111.2H221 V222 S223H221-I225 WeakPolarHBondContact O-CD1 3.32Å; H221-I225 VanDerWaalsContact O-CG1 3.24Å; H221-I225 WeakPolarHBondContact O-CG1 3.45Å; H221-I225 PolarHBondContact O-N 3Å; V222-I225 PolarHBondContact O-N 2.67Å; S223-I225 VanDerWaalsContact C-N 3.31Å; S223-I225 PolarHBondContact O-N 3.13Å
226L46.3Very low65.9Low130 Ų13088.8 Ų88.868%0.68145%0.446SS*.Hα-helixtrans-74-29.4-179.6-82.2153.4000112.8V222 S223V222-L226 HydrophobicContact CG1-CD1 4Å; V222-L226 WeakPolarHBondContact O-CD1 3.45Å; V222-L226 PolarHBondContact O-N 3.48Å; S223-L226 PolarHBondContact O-N 3.33Å
227Q49.7Very low67.7Low128 Ų12884.7 Ų84.760%0.59842%0.417SS*.Hα-helixtrans-83.4-10.7178.3-71-178.3-2.700114.1S223 E229S223-Q227 PolarHBondContact O-N 2.91Å; S223-Q227 VanDerWaalsContact O-N 3.14Å; Q227-E229 PolarHBondContact O-N 2.92Å
228Q58.7Low69.3Low38 Ų3878.1 Ų78.118%0.17840%0.398CS..  trans-7597.2-178.6-82172.31.600111.3E156 R158 D224E156-Q228 PolarHBondContact OE1-NE2 3.09Å; R158-Q228 HydrophobicContact CB-CB 4.18Å; D224-Q228 WeakPolarHBondContact O-CG 3.44Å
229E65.1Low71.1Confident101 Ų10178.4 Ų78.447%0.47240%0.396SS..BIsolated β-bridgetrans-61.4135.4177.4-68.6-171.5166.800111.8F157 Q227F157-E229 HydrophobicContact CD1-CB 3.98Å; F157-E229 HydrophobicContact CE1-CB 4.08Å; Q227-E229 PolarHBondContact O-N 2.92Å
230R78.4Confident72.9Confident209 Ų20977.6 Ų77.679%0.78940%0.395SS*.PPolyproline II helixtrans-78.2165.9172.3-65.8-177179.7-177.51.6109.8F232R230-F232 PolarHBondContact O-N 2.91Å
231A89.2Confident74.4Confident27 Ų2776.1 Ų76.122%0.22339%0.393CS..PPolyproline II helixtrans-56.9131.1174.100000111.1H189 I190 F191 T234H189-A231 HydrophobicContact CB-CB 3.95Å; I190-A231 CarbonylContact O-C 3.45Å; F191-A231 HydrophobicContact CD1-CB 4.3Å; F191-A231 HydrophobicContact CE1-CB 3.99Å; A231-T234 HydrophobicContact CB-CG2 4.06Å
232F94.1Very high76.3Confident49 Ų4971.5 Ų71.522%0.21538%0.375CS..SBendtrans-67.6-39.3174.5169.9-103.7000111.4F178 I190 K192 R230 F271 G276 G277F178-F232 HydrophobicContact CD1-CD1 4.14Å; F178-F232 HydrophobicContact CD1-CE1 4.37Å; F178-F232 AromaticContact CE1-CD1 3.7Å; F178-F232 HydrophobicContact CE1-CD1 3.7Å; F178-F232 AromaticContact CE1-CE1 3.54Å; F178-F232 HydrophobicContact CE1-CE1 3.54Å; F178-F232 HydrophobicContact CE1-CZ 4.25Å; F178-F232 HydrophobicContact CZ-CE1 4.27Å; I190-F232 WeakPolarHBondContact O-CB 3Å; I190-F232 PolarHBondContact O-N 3.41Å; K192-F232 HydrophobicContact CB-CB 3.9Å; K192-F232 HydrophobicContact CB-CD1 4.45Å; K192-F232 HydrophobicContact CB-CD2 4.18Å; K192-F232 HydrophobicContact CB-CG 3.93Å; K192-F232 HydrophobicContact CD-CD2 3.95Å; K192-F232 HydrophobicContact CD-CE2 3.93Å; K192-F232 HydrophobicContact CD-CG 4.39Å; K192-F232 HydrophobicContact CD-CZ 4.34Å; R230-F232 PolarHBondContact O-N 2.91Å; F232-F271 HydrophobicContact CD1-CE2 4.1Å; F232-F271 HydrophobicContact CD1-CZ 4.3Å; F232-F271 AromaticContact CE1-CE2 3.93Å; F232-F271 HydrophobicContact CE1-CE2 3.93Å; F232-F271 HydrophobicContact CE1-CZ 4.08Å; F232-G276 WeakPolarHBondContact O-CA 3.36Å; F232-G277 PolarHBondContact O-N 3.26Å
233A96Very high78.4Confident2 Ų275.7 Ų75.72%0.01739%0.39CS..EExtended strand (participates in β ladder)trans-140.4157.7174.200000110.8I190 F271 G277I190-A233 HydrophobicContact CB-CB 4.06Å; I190-A233 HydrophobicContact CD1-CB 4.11Å; I190-A233 PolarHBondContact N-O 2.82Å; I190-A233 PolarHBondContact O-N 2.74Å; I190-A233 VanDerWaalsContact O-N 3.11Å; A233-F271 HydrophobicContact CB-CD2 4.11Å; A233-F271 HydrophobicContact CB-CE2 3.78Å; A233-G277 CarbonylContact C-O 3.59Å; A233-G277 WeakPolarHBondContact CA-O 3.5Å; A233-G277 WeakPolarHBondContact CB-O 3.26Å
234T96.6Very high80.8Confident47 Ų4773.4 Ų73.429%0.28837%0.373SS..EExtended strand (participates in β ladder)trans-133.3152.217754.60000110.8T187 I188 A231 G277 E278 C279T187-T234 HydrophobicContact CG2-CG2 4.25Å; I188-T234 CarbonylContact O-C 3.57Å; I188-T234 WeakPolarHBondContact O-CA 3.12Å; A231-T234 HydrophobicContact CB-CG2 4.06Å; T234-G277 PolarHBondContact N-O 3.33Å; T234-E278 CarbonylContact O-C 3.53Å; T234-E278 WeakPolarHBondContact O-CA 3.33Å; T234-C279 WeakPolarHBondContact O-CB 3.34Å; T234-C279 PolarHBondContact O-N 2.85Å; T234-C279 PolarHBondContact O-SG 3.14Å; T234-C279 VanDerWaalsContact O-SG 3.42Å
235A96.4Very high83Confident2 Ų273.6 Ų73.62%0.01738%0.377CS..EExtended strand (participates in β ladder)trans-130.5155.6167.400000109.1T187 I188 L257 Y269 C279T187-A235 WeakPolarHBondContact CA-O 3.35Å; I188-A235 HydrophobicContact CB-CB 4.13Å; I188-A235 HydrophobicContact CD1-CB 4.47Å; I188-A235 PolarHBondContact N-O 3.11Å; I188-A235 PolarHBondContact O-N 3.25Å; A235-L257 HydrophobicContact CB-CD2 3.58Å; A235-Y269 HydrophobicContact CB-CD1 3.9Å; A235-Y269 HydrophobicContact CB-CD2 4.43Å; A235-Y269 HydrophobicContact CB-CE1 4.03Å; A235-Y269 HydrophobicContact CB-CG 4.12Å; A235-C279 HydrophobicContact CB-CB 3.82Å
236R95.8Very high85.4Confident156 Ų15669.3 Ų69.359%0.58936%0.356SS*.EExtended strand (participates in β ladder)trans-119.8122.4178.5-165.5174.8-176.9-177.2-1.7110.9E186 Y269E186-R236 HydrophobicContact CB-CG 3.97Å; E186-R236 WeakPolarHBondContact O-CA 3.44Å; E186-R236 IonicContact OE2-CZ 3.24Å; E186-R236 VanDerWaalsContact OE2-CZ 3.24Å; E186-R236 IonicContact OE2-NE 2.8Å; E186-R236 PolarHBondContact OE2-NE 2.91Å; E186-R236 IonicContact OE2-NH2 2.77Å; E186-R236 PolarHBondContact OE2-NH2 3.39Å; R236-Y269 WeakPolarHBondContact O-CE1 3.45Å; R236-Y269 PolarHBondContact O-OH 3.48Å
237L94.7Very high87.8Confident10 Ų1064.8 Ų64.85%0.05234%0.337CS..  trans-72.5146.6171.2-70.5169.7000110.5E186 I188 H239 V259 Y267 Y269E186-L237 PolarHBondContact O-N 3Å; I188-L237 HydrophobicContact CD1-CD1 4.18Å; I188-L237 HydrophobicContact CD1-CD2 4.14Å; I188-L237 HydrophobicContact CD1-CG 3.9Å; I188-L237 HydrophobicContact CG1-CD1 4.4Å; I188-L237 HydrophobicContact CG1-CG 4.31Å; L237-H239 PolarHBondContact O-N 2.73Å; L237-V259 HydrophobicContact CD1-CG1 4.48Å; L237-V259 HydrophobicContact CD2-CB 4.25Å; L237-V259 HydrophobicContact CD2-CG1 3.92Å; L237-Y267 HydrophobicContact CD2-CD2 3.61Å; L237-Y267 HydrophobicContact CD2-CE2 4Å; L237-Y267 HydrophobicContact CD2-CG 4.22Å; L237-Y269 WeakPolarHBondContact CA-OH 3.32Å
238P92.5Very high90.1Very high56 Ų5659.2 Ų59.236%0.36431%0.311SS..SBendtrans-62.7-27.4176.4-24.835.7000114.1Y267P238-Y267 HydrophobicContact CG-CD1 4.25Å; P238-Y267 HydrophobicContact CG-CE1 3.65Å
239H87.8Confident91.8Very high114 Ų11459.4 Ų59.453%0.52832%0.315SS..SBendtrans-136.9143.7-177.8-49.5107.2000111.1L237L237-H239 PolarHBondContact O-N 2.73Å
240A86Confident93.1Very high54 Ų5457.8 Ų57.845%0.44631%0.312SS..SBendtrans-84.9163.8173.300000112.2E186 C242E186-A240 HydrophobicContact CG-CB 3.7Å; A240-C242 VanDerWaalsContact C-N 3.27Å; A240-C242 PolarHBondContact O-N 2.8Å
241G85.8Confident93.7Very high49 Ų4951.6 Ų51.651%0.50529%0.294SS..SBendtrans81.8-16.9165.800000116.6Y168 N184 K243Y168-G241 PolarHBondContact OH-O 2.91Å; N184-G241 PolarHBondContact O-N 3.34Å; N184-G241 VanDerWaalsContact O-N 3.14Å; G241-K243 PolarHBondContact O-N 3.39Å
242C92.7Very high93.7Very high37 Ų3759.9 Ų59.925%0.2533%0.325CS..  trans-73.8126171.8-61.60000110.5Y168 A240 N244 S261Y168-C242 WeakPolarHBondContact CE2-O 3.37Å; A240-C242 VanDerWaalsContact C-N 3.27Å; A240-C242 PolarHBondContact O-N 2.8Å; C242-N244 PolarHBondContact O-N 3.23Å; C242-N244 PolarHBondContact O-ND2 3.5Å; C242-S261 VanDerWaalsContact CB-OG 3.25Å; C242-S261 WeakPolarHBondContact CB-OG 3.47Å
243K95.2Very high93.5Very high136 Ų13665.7 Ų65.759%0.59135%0.353SS*.  trans-60.7139.6173.3-74.8-174.4179.9-176.70108.9Y168 G241 S261 T262Y168-K243 HydrophobicContact CD1-CG 4.23Å; Y168-K243 HydrophobicContact CE1-CG 3.91Å; Y168-K243 HydrophobicContact CE2-CB 4.49Å; Y168-K243 HydrophobicContact CE2-CG 4.23Å; G241-K243 PolarHBondContact O-N 3.39Å; K243-S261 WeakPolarHBondContact O-CA 3.38Å; K243-T262 HydrophobicContact CB-CG2 3.72Å; K243-T262 PolarHBondContact N-OG1 2.93Å; K243-T262 WeakPolarHBondContact O-CG2 3.37Å; K243-T262 PolarHBondContact O-N 3.25Å; K243-T262 PolarHBondContact O-OG1 3.01Å
244N96.6Very high93.3Very high7 Ų769.8 Ų69.84%0.03738%0.375CS..EExtended strand (participates in β ladder)trans-147.5159.6-17659.668.6000111.5Y168 T182 C242 V259 A260Y168-N244 WeakPolarHBondContact CB-O 3.02Å; T182-N244 WeakPolarHBondContact CB-OD1 3.39Å; T182-N244 VanDerWaalsContact CG2-OD1 3.32Å; T182-N244 WeakPolarHBondContact CG2-OD1 3.37Å; T182-N244 PolarHBondContact OG1-OD1 3.15Å; C242-N244 PolarHBondContact O-N 3.23Å; C242-N244 PolarHBondContact O-ND2 3.5Å; N244-V259 HydrophobicContact CB-CG1 3.83Å; N244-A260 CarbonylContact C-O 3.59Å; N244-A260 WeakPolarHBondContact CA-O 3.26Å; N244-A260 WeakPolarHBondContact CB-O 3.21Å
245V97.2Very high93.3Very high91 Ų9169 Ų6955%0.55237%0.37SS*.EExtended strand (participates in β ladder)trans-122140.1172.5-65.20000109.1V259 A260V245-V259 WeakPolarHBondContact O-CA 3.16Å; V245-A260 HydrophobicContact CG2-CB 3.94Å; V245-A260 PolarHBondContact N-O 3.41Å; V245-A260 PolarHBondContact O-N 2.86Å
246C97.7Very high93.3Very high13 Ų1370 Ų709%0.08837%0.373CS..EExtended strand (participates in β ladder)trans-115.4157-177.566.80000112.5S169 A171 T182 L257 L258S169-C246 PolarHBondContact OG-N 3.03Å; S169-C246 PolarHBondContact OG-SG 2.7Å; A171-C246 VanDerWaalsContact CB-O 3.3Å; A171-C246 WeakPolarHBondContact CB-O 3.48Å; T182-C246 HydrophobicContact CG2-CB 3.56Å; C246-L257 HydrophobicContact CB-CD1 4.22Å; C246-L258 CarbonylContact C-O 3.49Å; C246-L258 VanDerWaalsContact CA-O 3.27Å; C246-L258 WeakPolarHBondContact CA-O 3.18Å
247A97.8Very high93.4Very high35 Ų3562.5 Ų62.529%0.28935%0.345SS..EExtended strand (participates in β ladder)trans-148.8137.8170.100000110.8V249 L258A247-V249 HydrophobicContact CB-CG1 4.11Å; A247-L258 PolarHBondContact N-O 3.25Å; A247-L258 PolarHBondContact O-N 2.74Å
248L97Very high93.6Very high10 Ų1063.8 Ų63.85%0.05235%0.352CS..EExtended strand (participates in β ladder)trans-98.4114.3168.3-71.7172000108.7F178 C180 I190 L257 F271F178-L248 HydrophobicContact CB-CD1 3.7Å; C180-L248 HydrophobicContact CB-CD1 3.79Å; C180-L248 HydrophobicContact CB-CD2 4.44Å; C180-L248 HydrophobicContact CB-CG 3.84Å; I190-L248 HydrophobicContact CD1-CD2 4.02Å; I190-L248 HydrophobicContact CG2-CD1 4.21Å; L248-L257 HydrophobicContact CD2-CB 4.04Å; L248-L257 HydrophobicContact CD2-CD1 4.11Å; L248-F271 HydrophobicContact CD2-CD1 3.95Å; L248-F271 HydrophobicContact CD2-CE1 4.29Å; L248-F271 HydrophobicContact CD2-CG 4.42Å
249V95.2Very high93.8Very high42 Ų4261.1 Ų61.126%0.25533%0.334SS..EExtended strand (participates in β ladder)trans-134157.4-173-63.40000111.1A247 L251 R256 L258A247-V249 HydrophobicContact CB-CG1 4.11Å; V249-L251 HydrophobicContact CG2-CD1 4.21Å; V249-L251 HydrophobicContact CG2-CD2 4.27Å; V249-L251 HydrophobicContact CG2-CG 3.86Å; V249-R256 HydrophobicContact CG2-CB 4.2Å; V249-R256 PolarHBondContact N-O 3.06Å; V249-R256 PolarHBondContact O-N 3.48Å; V249-L258 HydrophobicContact CG2-CD1 3.57Å; V249-L258 HydrophobicContact CG2-CG 3.71Å
250T93.3Very high94.3Very high67 Ų6757.6 Ų57.641%0.41133%0.325SS..EExtended strand (participates in β ladder)trans-102.3110.3170.3-58.40000108.7
251L90.5Very high94.8Very high79 Ų7955.8 Ų55.841%0.41431%0.309SS..EExtended strand (participates in β ladder)trans-109121.7177.5-64.4179.8000109.4V249 Q253 L254 R256 L258V249-L251 HydrophobicContact CG2-CD1 4.21Å; V249-L251 HydrophobicContact CG2-CD2 4.27Å; V249-L251 HydrophobicContact CG2-CG 3.86Å; L251-Q253 VanDerWaalsContact C-N 3.31Å; L251-Q253 PolarHBondContact O-N 3.38Å; L251-L254 PolarHBondContact N-O 3.5Å; L251-L254 PolarHBondContact O-N 3.18Å; L251-R256 HydrophobicContact CB-CG 4.16Å; L251-R256 HydrophobicContact CD1-CB 4.38Å; L251-R256 HydrophobicContact CD1-CG 4.22Å; L251-R256 HydrophobicContact CG-CG 4.37Å; L251-L258 HydrophobicContact CD1-CD1 4.42Å; L251-L258 HydrophobicContact CD1-CD2 4.16Å
252K89Confident95.2Very high201 Ų20158.5 Ų58.587%0.87432%0.316SS*.THydrogen-bonded Turntrans50.948.7-178.4-56.8-175.8178.3-172.50112.5L254K252-L254 PolarHBondContact O-N 2.58Å; K252-L254 VanDerWaalsContact O-N 3.14Å
253Q89.5Confident95.3Very high172 Ų17259.2 Ų59.280%0.80432%0.317SS*.THydrogen-bonded Turntrans654.4-176.1-54.3-61.1-13.700116L251L251-Q253 VanDerWaalsContact C-N 3.31Å; L251-Q253 PolarHBondContact O-N 3.38Å
254L93.1Very high95.2Very high88 Ų8854.6 Ų54.646%0.46131%0.308SS..EExtended strand (participates in β ladder)trans-110.5128.8178.5-56.9174.6000111.3L251 K252 R256L251-L254 PolarHBondContact N-O 3.5Å; L251-L254 PolarHBondContact O-N 3.18Å; K252-L254 PolarHBondContact O-N 2.58Å; K252-L254 VanDerWaalsContact O-N 3.14Å; L254-R256 VanDerWaalsContact CD1-NH2 3.33Å
255P95.5Very high95.2Very high29 Ų2957.7 Ų57.719%0.18832%0.32CS..EExtended strand (participates in β ladder)trans-62135.2172.621.2-30.5000111.8F271 R273P255-F271 HydrophobicContact CB-CD1 4.03Å; P255-F271 WeakPolarHBondContact CB-O 3.45Å; P255-F271 WeakPolarHBondContact CG-O 3.41Å; P255-F271 PolarHBondContact O-N 3.3Å; P255-R273 HydrophobicContact CB-CG 3.65Å; P255-R273 HydrophobicContact CG-CG 3.73Å
256R97.2Very high95.2Very high23 Ų2356.2 Ų56.29%0.08731%0.309CS..EExtended strand (participates in β ladder)trans-138.1142.1-177.8-66.9-64.4-176.6-91.94.4110.8V249 L251 L254 I268 Y269 N270 Q282V249-R256 HydrophobicContact CG2-CB 4.2Å; V249-R256 PolarHBondContact N-O 3.06Å; V249-R256 PolarHBondContact O-N 3.48Å; L251-R256 HydrophobicContact CB-CG 4.16Å; L251-R256 HydrophobicContact CD1-CB 4.38Å; L251-R256 HydrophobicContact CD1-CG 4.22Å; L251-R256 HydrophobicContact CG-CG 4.37Å; L254-R256 VanDerWaalsContact CD1-NH2 3.33Å; R256-I268 HydrophobicContact CG-CG2 4.38Å; R256-Y269 WeakPolarHBondContact CA-O 3.49Å; R256-Y269 WeakPolarHBondContact CD-O 3.43Å; R256-N270 PolarHBondContact NE-OD1 3.35Å; R256-N270 PolarHBondContact NH1-OD1 2.8Å; R256-N270 PolarHBondContact NH2-OD1 3.24Å; R256-Q282 VanDerWaalsContact CZ-OE1 3.22Å
257L97.7Very high95.2Very high0 Ų055.9 Ų55.90%031%0.306CS..EExtended strand (participates in β ladder)trans-97.1121.8161.9166.468000107.9C180 I188 I190 A235 C246 L248 V259 Y269C180-L257 HydrophobicContact CB-CD1 4.41Å; C180-L257 WeakPolarHBondContact SG-CD1 3.11Å; I188-L257 HydrophobicContact CB-CD2 4.49Å; I188-L257 HydrophobicContact CD1-CD2 4.2Å; I188-L257 HydrophobicContact CG2-CD2 3.93Å; I190-L257 HydrophobicContact CD1-CD2 4.34Å; A235-L257 HydrophobicContact CB-CD2 3.58Å; C246-L257 HydrophobicContact CB-CD1 4.22Å; L248-L257 HydrophobicContact CD2-CB 4.04Å; L248-L257 HydrophobicContact CD2-CD1 4.11Å; L257-V259 HydrophobicContact CD1-CG2 4.12Å; L257-V259 HydrophobicContact CD2-CG2 4.22Å; L257-V259 HydrophobicContact CG-CG2 3.94Å; L257-Y269 HydrophobicContact CD2-CD2 4.13Å; L257-Y269 HydrophobicContact CD2-CG 4.45Å; L257-Y269 HydrophobicContact CG-CD2 4.29Å; L257-Y269 PolarHBondContact N-O 3.05Å; L257-Y269 PolarHBondContact O-N 2.88Å
258L97.7Very high95.2Very high36 Ų3655.1 Ų55.119%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-103.6137.2171.9-58.4-177.6000109.4C246 A247 V249 L251 L266 Y267 I268C246-L258 CarbonylContact C-O 3.49Å; C246-L258 VanDerWaalsContact CA-O 3.27Å; C246-L258 WeakPolarHBondContact CA-O 3.18Å; A247-L258 PolarHBondContact N-O 3.25Å; A247-L258 PolarHBondContact O-N 2.74Å; V249-L258 HydrophobicContact CG2-CD1 3.57Å; V249-L258 HydrophobicContact CG2-CG 3.71Å; L251-L258 HydrophobicContact CD1-CD1 4.42Å; L251-L258 HydrophobicContact CD1-CD2 4.16Å; L258-L266 HydrophobicContact CB-CD1 4.34Å; L258-Y267 CarbonylContact C-O 3.6Å; L258-Y267 WeakPolarHBondContact CA-O 3.41Å; L258-I268 HydrophobicContact CD2-CB 4.05Å; L258-I268 HydrophobicContact CD2-CD1 4.05Å; L258-I268 HydrophobicContact CD2-CG1 3.64Å; L258-I268 HydrophobicContact CD2-CG2 3.78Å
259V97.8Very high95.2Very high0 Ų054.8 Ų54.80%030%0.295CS..EExtended strand (participates in β ladder)trans-135.7112.5176.7-168.20000109.1I188 L237 N244 V245 L257 L266 Y267 Y269I188-V259 HydrophobicContact CD1-CB 4.36Å; I188-V259 HydrophobicContact CD1-CG1 4.16Å; I188-V259 HydrophobicContact CD1-CG2 3.4Å; I188-V259 VanDerWaalsContact CD1-CG2 3.4Å; L237-V259 HydrophobicContact CD1-CG1 4.48Å; L237-V259 HydrophobicContact CD2-CB 4.25Å; L237-V259 HydrophobicContact CD2-CG1 3.92Å; N244-V259 HydrophobicContact CB-CG1 3.83Å; V245-V259 WeakPolarHBondContact O-CA 3.16Å; L257-V259 HydrophobicContact CD1-CG2 4.12Å; L257-V259 HydrophobicContact CD2-CG2 4.22Å; L257-V259 HydrophobicContact CG-CG2 3.94Å; V259-L266 CarbonylContact O-C 3.6Å; V259-L266 WeakPolarHBondContact O-CA 3.48Å; V259-Y267 PolarHBondContact N-O 3.14Å; V259-Y267 PolarHBondContact O-N 2.94Å; V259-Y269 HydrophobicContact CG2-CD2 4.36Å; V259-Y269 HydrophobicContact CG2-CE2 4.1Å
260A97.3Very high95.3Very high41 Ų4155.6 Ų55.634%0.33930%0.298SS..EExtended strand (participates in β ladder)trans-100.1129.2174.700000109.4N244 V245 Y265 L266N244-A260 CarbonylContact C-O 3.59Å; N244-A260 WeakPolarHBondContact CA-O 3.26Å; N244-A260 WeakPolarHBondContact CB-O 3.21Å; V245-A260 HydrophobicContact CG2-CB 3.94Å; V245-A260 PolarHBondContact N-O 3.41Å; V245-A260 PolarHBondContact O-N 2.86Å; A260-Y265 WeakPolarHBondContact CA-O 3.38Å; A260-L266 HydrophobicContact CB-CD1 4.21Å
261S96.5Very high95.4Very high15 Ų1552.9 Ų52.911%0.10528%0.28CS..EExtended strand (participates in β ladder)trans-118.3152.4-171.91730000111.7C242 K243 D263 G264 Y265C242-S261 VanDerWaalsContact CB-OG 3.25Å; C242-S261 WeakPolarHBondContact CB-OG 3.47Å; K243-S261 WeakPolarHBondContact O-CA 3.38Å; S261-D263 WeakPolarHBondContact CB-OD1 3.1Å; S261-D263 PolarHBondContact O-N 3.21Å; S261-D263 PolarHBondContact OG-OD1 3.49Å; S261-G264 PolarHBondContact O-N 3.4Å; S261-Y265 PolarHBondContact N-O 3.39Å
262T95.5Very high95.6Very high107 Ų10752.2 Ų52.266%0.65628%0.277SS*.THydrogen-bonded Turntrans-67.4-14.6-176.649.40000114.6K243 G264K243-T262 HydrophobicContact CB-CG2 3.72Å; K243-T262 PolarHBondContact N-OG1 2.93Å; K243-T262 WeakPolarHBondContact O-CG2 3.37Å; K243-T262 PolarHBondContact O-N 3.25Å; K243-T262 PolarHBondContact O-OG1 3.01Å; T262-G264 PolarHBondContact O-N 3.07Å
263D93.4Very high95.9Very high51 Ų5146.4 Ų46.427%0.27325%0.25SC..THydrogen-bonded Turntrans-77.60.7170.861.7-12.9000113.1S261 Y265S261-D263 WeakPolarHBondContact CB-OD1 3.1Å; S261-D263 PolarHBondContact O-N 3.21Å; S261-D263 PolarHBondContact OG-OD1 3.49Å; D263-Y265 HydrophobicContact CB-CD2 4.32Å; D263-Y265 PolarHBondContact OD1-N 3.4Å; D263-Y265 WeakPolarHBondContact OD2-CD2 3.18Å
264G94.5Very high96Very high39 Ų3944.1 Ų44.140%0.40225%0.247SC..SBendtrans95.32.9174.100000114.1S261 T262S261-G264 PolarHBondContact O-N 3.4Å; T262-G264 PolarHBondContact O-N 3.07Å
265Y96.4Very high96Very high73 Ų7347.4 Ų47.429%0.28626%0.26SS..  trans-90.9145.3-179.9-69.1-86.3000113.1A260 S261 D263 H285 R286A260-Y265 WeakPolarHBondContact CA-O 3.38Å; S261-Y265 PolarHBondContact N-O 3.39Å; D263-Y265 HydrophobicContact CB-CD2 4.32Å; D263-Y265 PolarHBondContact OD1-N 3.4Å; D263-Y265 WeakPolarHBondContact OD2-CD2 3.18Å; Y265-H285 CarbonylContact C-O 3.55Å; Y265-H285 VanDerWaalsContact CA-O 3.26Å; Y265-H285 WeakPolarHBondContact CA-O 3.49Å; Y265-H285 WeakPolarHBondContact CD1-O 3.19Å; Y265-R286 HydrophobicContact CD1-CB 4.13Å; Y265-R286 HydrophobicContact CE1-CB 4.04Å; Y265-R286 HydrophobicContact CE1-CG 4.38Å
266L97.2Very high95.9Very high60 Ų6046.5 Ų46.531%0.31426%0.256SS..EExtended strand (participates in β ladder)trans-113.4115.3164.7172.968000109.2L258 V259 A260 I268 Q284 H285L258-L266 HydrophobicContact CB-CD1 4.34Å; V259-L266 CarbonylContact O-C 3.6Å; V259-L266 WeakPolarHBondContact O-CA 3.48Å; A260-L266 HydrophobicContact CB-CD1 4.21Å; L266-I268 HydrophobicContact CG-CG1 4.38Å; L266-Q284 CarbonylContact O-C 3.43Å; L266-Q284 WeakPolarHBondContact O-CA 3.23Å; L266-H285 HydrophobicContact CB-CB 4.29Å; L266-H285 PolarHBondContact N-O 3.02Å; L266-H285 PolarHBondContact O-N 2.67Å
267Y97.2Very high95.7Very high5 Ų547.2 Ų47.22%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-98.3135.9175.8-54.8-75.6000110.7L237 P238 L258 V259 L281 Q284L237-Y267 HydrophobicContact CD2-CD2 3.61Å; L237-Y267 HydrophobicContact CD2-CE2 4Å; L237-Y267 HydrophobicContact CD2-CG 4.22Å; P238-Y267 HydrophobicContact CG-CD1 4.25Å; P238-Y267 HydrophobicContact CG-CE1 3.65Å; L258-Y267 CarbonylContact C-O 3.6Å; L258-Y267 WeakPolarHBondContact CA-O 3.41Å; V259-Y267 PolarHBondContact N-O 3.14Å; V259-Y267 PolarHBondContact O-N 2.94Å; Y267-L281 HydrophobicContact CD1-CD1 4.17Å; Y267-Q284 HydrophobicContact CD1-CB 3.98Å; Y267-Q284 HydrophobicContact CE1-CB 4.21Å
268I97.2Very high95.6Very high19 Ų1954.4 Ų54.410%0.09730%0.304CS..EExtended strand (participates in β ladder)trans-123114.4-179.1-51.4-170.9000108.4R256 L258 L266 Q282 K283R256-I268 HydrophobicContact CG-CG2 4.38Å; L258-I268 HydrophobicContact CD2-CB 4.05Å; L258-I268 HydrophobicContact CD2-CD1 4.05Å; L258-I268 HydrophobicContact CD2-CG1 3.64Å; L258-I268 HydrophobicContact CD2-CG2 3.78Å; L266-I268 HydrophobicContact CG-CG1 4.38Å; I268-Q282 WeakPolarHBondContact O-CA 3.25Å; I268-Q282 WeakPolarHBondContact O-CB 3.27Å; I268-Q282 PolarHBondContact O-N 2.84Å; I268-K283 HydrophobicContact CB-CB 4.2Å; I268-K283 HydrophobicContact CD1-CB 4.32Å; I268-K283 HydrophobicContact CG1-CB 4.4Å; I268-K283 PolarHBondContact N-O 3.31Å; I268-K283 PolarHBondContact O-N 3.24Å
269Y98Very high95.6Very high3 Ų353 Ų531%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-108.3144.2178.9-59.1-100.6000111.5A235 R236 L237 R256 L257 V259 C279 V280 L281A235-Y269 HydrophobicContact CB-CD1 3.9Å; A235-Y269 HydrophobicContact CB-CD2 4.43Å; A235-Y269 HydrophobicContact CB-CE1 4.03Å; A235-Y269 HydrophobicContact CB-CG 4.12Å; R236-Y269 WeakPolarHBondContact O-CE1 3.45Å; R236-Y269 PolarHBondContact O-OH 3.48Å; L237-Y269 WeakPolarHBondContact CA-OH 3.32Å; R256-Y269 WeakPolarHBondContact CA-O 3.49Å; R256-Y269 WeakPolarHBondContact CD-O 3.43Å; L257-Y269 HydrophobicContact CD2-CD2 4.13Å; L257-Y269 HydrophobicContact CD2-CG 4.45Å; L257-Y269 HydrophobicContact CG-CD2 4.29Å; L257-Y269 PolarHBondContact N-O 3.05Å; L257-Y269 PolarHBondContact O-N 2.88Å; V259-Y269 HydrophobicContact CG2-CD2 4.36Å; V259-Y269 HydrophobicContact CG2-CE2 4.1Å; Y269-C279 HydrophobicContact CD1-CB 4.42Å; Y269-C279 WeakPolarHBondContact CD1-O 3.25Å; Y269-V280 CarbonylContact C-O 3.57Å; Y269-V280 WeakPolarHBondContact CA-O 3.42Å; Y269-L281 HydrophobicContact CD1-CB 3.9Å; Y269-L281 HydrophobicContact CD1-CD1 4.17Å; Y269-L281 HydrophobicContact CD2-CD1 4.35Å; Y269-L281 HydrophobicContact CE1-CB 3.73Å; Y269-L281 HydrophobicContact CE1-CD1 3.87Å; Y269-L281 HydrophobicContact CE1-CG 4.35Å; Y269-L281 HydrophobicContact CE2-CD1 4.04Å; Y269-L281 HydrophobicContact CG-CD1 4.4Å
270N96.7Very high95.5Very high60 Ų6057.6 Ų57.632%0.32133%0.325SS..EExtended strand (participates in β ladder)trans-73.1124.2166.7-69.4-26.6000108.9R256 C279 V280 Q282R256-N270 PolarHBondContact NE-OD1 3.35Å; R256-N270 PolarHBondContact NH1-OD1 2.8Å; R256-N270 PolarHBondContact NH2-OD1 3.24Å; N270-C279 VanDerWaalsContact O-CA 3.3Å; N270-C279 WeakPolarHBondContact O-CA 3.24Å; N270-C279 VanDerWaalsContact O-CB 3.27Å; N270-C279 WeakPolarHBondContact O-CB 3.33Å; N270-V280 PolarHBondContact N-O 3.2Å; N270-Q282 PolarHBondContact OD1-OE1 2.87Å; N270-Q282 VanDerWaalsContact OD1-OE1 3.05Å
271F96.4Very high95.5Very high9 Ų958.9 Ų58.94%0.03933%0.325CS..  trans-113.3115.8178168.7-132.2000109.8F178 I190 F232 A233 L248 P255 R273F178-F271 HydrophobicContact CD1-CE1 4.27Å; F178-F271 AromaticContact CD1-CZ 3.65Å; F178-F271 HydrophobicContact CD1-CZ 3.65Å; F178-F271 HydrophobicContact CD2-CE1 4.04Å; F178-F271 HydrophobicContact CD2-CZ 4.21Å; F178-F271 HydrophobicContact CE1-CE1 4.47Å; F178-F271 AromaticContact CE1-CZ 3.74Å; F178-F271 HydrophobicContact CE1-CZ 3.74Å; F178-F271 HydrophobicContact CE2-CE1 4.27Å; F178-F271 HydrophobicContact CE2-CZ 4.3Å; F178-F271 HydrophobicContact CG-CE1 4.04Å; F178-F271 AromaticContact CG-CZ 3.89Å; F178-F271 HydrophobicContact CG-CZ 3.89Å; F178-F271 HydrophobicContact CZ-CE1 4.48Å; F178-F271 HydrophobicContact CZ-CZ 4.07Å; I190-F271 HydrophobicContact CD1-CD2 3.69Å; I190-F271 HydrophobicContact CD1-CE2 3.92Å; I190-F271 HydrophobicContact CD1-CG 4.17Å; I190-F271 HydrophobicContact CG2-CE2 3.98Å; I190-F271 HydrophobicContact CG2-CZ 3.87Å; F232-F271 HydrophobicContact CD1-CE2 4.1Å; F232-F271 HydrophobicContact CD1-CZ 4.3Å; F232-F271 AromaticContact CE1-CE2 3.93Å; F232-F271 HydrophobicContact CE1-CE2 3.93Å; F232-F271 HydrophobicContact CE1-CZ 4.08Å; A233-F271 HydrophobicContact CB-CD2 4.11Å; A233-F271 HydrophobicContact CB-CE2 3.78Å; L248-F271 HydrophobicContact CD2-CD1 3.95Å; L248-F271 HydrophobicContact CD2-CE1 4.29Å; L248-F271 HydrophobicContact CD2-CG 4.42Å; P255-F271 HydrophobicContact CB-CD1 4.03Å; P255-F271 WeakPolarHBondContact CB-O 3.45Å; P255-F271 WeakPolarHBondContact CG-O 3.41Å; P255-F271 PolarHBondContact O-N 3.3Å; F271-R273 HydrophobicContact CD1-CG 3.9Å; F271-R273 HydrophobicContact CE1-CG 3.54Å; F271-R273 HydrophobicContact CZ-CG 4.15Å; F271-R273 PolarHBondContact O-N 2.83Å
272N94.5Very high95.3Very high65 Ų6562.3 Ų62.335%0.34834%0.34SS..  trans-83.5111.5174.3-172.2-19.7000109.9V274 E275 G276N272-V274 VanDerWaalsContact C-N 3.31Å; N272-V274 PolarHBondContact O-N 3.3Å; N272-V274 PolarHBondContact OD1-N 3.36Å; N272-E275 PolarHBondContact ND2-OE2 3.31Å; N272-E275 VanDerWaalsContact ND2-OE2 3.08Å; N272-E275 PolarHBondContact OD1-N 3.39Å; N272-G276 VanDerWaalsContact O-CA 3.29Å; N272-G276 WeakPolarHBondContact O-CA 3.1Å; N272-G276 PolarHBondContact O-N 3.14Å
273R93.7Very high95.2Very high80 Ų8062.5 Ų62.530%0.30233%0.331SS..THydrogen-bonded Turntrans-73.2-19.5-179.2-73.6-177.658.4163.96.9114.5D175 F178 P255 F271D175-R273 IonicContact OD2-CZ 3.04Å; D175-R273 IonicContact OD2-NH1 3.88Å; D175-R273 PolarHBondContact OD2-NH1 2.86Å; D175-R273 IonicContact OD2-NH2 2.62Å; D175-R273 PolarHBondContact OD2-NH2 2.77Å; F178-R273 HydrophobicContact CE2-CB 4.25Å; F178-R273 HydrophobicContact CE2-CG 4.02Å; F178-R273 HydrophobicContact CZ-CB 4.17Å; F178-R273 HydrophobicContact CZ-CG 4.34Å; F178-R273 WeakPolarHBondContact CZ-O 3.49Å; P255-R273 HydrophobicContact CB-CG 3.65Å; P255-R273 HydrophobicContact CG-CG 3.73Å; F271-R273 HydrophobicContact CD1-CG 3.9Å; F271-R273 HydrophobicContact CE1-CG 3.54Å; F271-R273 HydrophobicContact CZ-CG 4.15Å; F271-R273 PolarHBondContact O-N 2.83Å
274V92.5Very high95.3Very high124 Ų12465.6 Ų65.675%0.75235%0.345SS*.THydrogen-bonded Turntrans-91.6-53.3-175.9-179.30000110N272N272-V274 VanDerWaalsContact C-N 3.31Å; N272-V274 PolarHBondContact O-N 3.3Å; N272-V274 PolarHBondContact OD1-N 3.36Å
275E92.5Very high95.2Very high157 Ų15768.1 Ų68.173%0.73435%0.345SS*.THydrogen-bonded Turntrans-96.1-21.6-173.5-60.4174.1165.400113.4N272N272-E275 PolarHBondContact ND2-OE2 3.31Å; N272-E275 VanDerWaalsContact ND2-OE2 3.08Å; N272-E275 PolarHBondContact OD1-N 3.39Å
276G93.1Very high95Very high10 Ų1076.3 Ų76.310%0.10338%0.376CS..  trans69.4-132.4-174.600000112.1F232 N272F232-G276 WeakPolarHBondContact O-CA 3.36Å; N272-G276 VanDerWaalsContact O-CA 3.29Å; N272-G276 WeakPolarHBondContact O-CA 3.1Å; N272-G276 PolarHBondContact O-N 3.14Å
277G94.1Very high94.9Very high37 Ų3777.2 Ų77.238%0.38138%0.379SS..EExtended strand (participates in β ladder)trans80.2-157.4176.800000114.9F232 A233 T234 C279F232-G277 PolarHBondContact O-N 3.26Å; A233-G277 CarbonylContact C-O 3.59Å; A233-G277 WeakPolarHBondContact CA-O 3.5Å; A233-G277 WeakPolarHBondContact CB-O 3.26Å; T234-G277 PolarHBondContact N-O 3.33Å; G277-C279 PolarHBondContact O-N 3.46Å
278E95.8Very high94.7Very high152 Ų15280.9 Ų80.971%0.7140%0.398SS*.EExtended strand (participates in β ladder)trans-77.7122.2-179.4-172.3173.6-171.500111.1T234 V280T234-E278 CarbonylContact O-C 3.53Å; T234-E278 WeakPolarHBondContact O-CA 3.33Å; E278-V280 PolarHBondContact O-N 2.85Å
279C96.8Very high94.6Very high6 Ų684.4 Ų84.44%0.04142%0.415CS..PPolyproline II helixtrans-78.8120.2177.4-59.80000109.6T234 A235 Y269 N270 G277T234-C279 WeakPolarHBondContact O-CB 3.34Å; T234-C279 PolarHBondContact O-N 2.85Å; T234-C279 PolarHBondContact O-SG 3.14Å; T234-C279 VanDerWaalsContact O-SG 3.42Å; A235-C279 HydrophobicContact CB-CB 3.82Å; Y269-C279 HydrophobicContact CD1-CB 4.42Å; Y269-C279 WeakPolarHBondContact CD1-O 3.25Å; N270-C279 VanDerWaalsContact O-CA 3.3Å; N270-C279 WeakPolarHBondContact O-CA 3.24Å; N270-C279 VanDerWaalsContact O-CB 3.27Å; N270-C279 WeakPolarHBondContact O-CB 3.33Å; G277-C279 PolarHBondContact O-N 3.46Å
280V95.9Very high94.4Very high96 Ų9689.2 Ų89.258%0.58244%0.438SS*.EExtended strand (participates in β ladder)trans-80.3129.6-179.2-178.70000110.5Y269 N270 E278 Q282Y269-V280 CarbonylContact C-O 3.57Å; Y269-V280 WeakPolarHBondContact CA-O 3.42Å; N270-V280 PolarHBondContact N-O 3.2Å; E278-V280 PolarHBondContact O-N 2.85Å; V280-Q282 PolarHBondContact O-N 3.13Å
281L96.7Very high94.3Very high68 Ų6891 Ų9136%0.35645%0.446SS..EExtended strand (participates in β ladder)trans-64116.4173.5-17964.8000109.7Y267 Y269 K283Y267-L281 HydrophobicContact CD1-CD1 4.17Å; Y269-L281 HydrophobicContact CD1-CB 3.9Å; Y269-L281 HydrophobicContact CD1-CD1 4.17Å; Y269-L281 HydrophobicContact CD2-CD1 4.35Å; Y269-L281 HydrophobicContact CE1-CB 3.73Å; Y269-L281 HydrophobicContact CE1-CD1 3.87Å; Y269-L281 HydrophobicContact CE1-CG 4.35Å; Y269-L281 HydrophobicContact CE2-CD1 4.04Å; Y269-L281 HydrophobicContact CG-CD1 4.4Å; L281-K283 WeakPolarHBondContact CD1-O 3.46Å
282Q93.9Very high94.1Very high87 Ų8796.5 Ų96.541%0.40747%0.473SS..EExtended strand (participates in β ladder)trans-92.4-44.6-179.4-166.7-169-1.100111.9R256 I268 N270 V280R256-Q282 VanDerWaalsContact CZ-OE1 3.22Å; I268-Q282 WeakPolarHBondContact O-CA 3.25Å; I268-Q282 WeakPolarHBondContact O-CB 3.27Å; I268-Q282 PolarHBondContact O-N 2.84Å; N270-Q282 PolarHBondContact OD1-OE1 2.87Å; N270-Q282 VanDerWaalsContact OD1-OE1 3.05Å; V280-Q282 PolarHBondContact O-N 3.13Å
283K93.7Very high94.1Very high111 Ų11198.7 Ų98.748%0.48348%0.482SS..EExtended strand (participates in β ladder)trans-147.1150.4-176.7-62.9-172.5177.8-172.30110.8I268 L281I268-K283 HydrophobicContact CB-CB 4.2Å; I268-K283 HydrophobicContact CD1-CB 4.32Å; I268-K283 HydrophobicContact CG1-CB 4.4Å; I268-K283 PolarHBondContact N-O 3.31Å; I268-K283 PolarHBondContact O-N 3.24Å; L281-K283 WeakPolarHBondContact CD1-O 3.46Å
284Q94.2Very high94.1Very high117 Ų117100.2 Ų100.255%0.54750%0.496SS..EExtended strand (participates in β ladder)trans-126137.5164.964.6-177.8-6.100108.9L266 Y267L266-Q284 CarbonylContact O-C 3.43Å; L266-Q284 WeakPolarHBondContact O-CA 3.23Å; Y267-Q284 HydrophobicContact CD1-CB 3.98Å; Y267-Q284 HydrophobicContact CE1-CB 4.21Å
285H93.6Very high94.3Very high91 Ų9198.2 Ų98.242%0.42147%0.474SS..EExtended strand (participates in β ladder)trans-125.4156175.8-63.3-77.3000109.3Y265 L266Y265-H285 CarbonylContact C-O 3.55Å; Y265-H285 VanDerWaalsContact CA-O 3.26Å; Y265-H285 WeakPolarHBondContact CA-O 3.49Å; Y265-H285 WeakPolarHBondContact CD1-O 3.19Å; L266-H285 HydrophobicContact CB-CB 4.29Å; L266-H285 PolarHBondContact N-O 3.02Å; L266-H285 PolarHBondContact O-N 2.67Å
286R90.9Very high94.4Very high246 Ų24692.8 Ų92.893%0.92845%0.451SS*.  trans-128.90172.7-174179.4-177.1-168.80.8108.6Y265Y265-R286 HydrophobicContact CD1-CB 4.13Å; Y265-R286 HydrophobicContact CE1-CB 4.04Å; Y265-R286 HydrophobicContact CE1-CG 4.38Å

Retrieved 286 of 286 residues in 152.2 ms (Link to these results)

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