A0A087XXJ6_POEFO Loading...

Octanoyl-[acyl-carrier-protein]:protein N-octanoyltransferase LIPT2, mitochondrial

Catalyzes the transfer of endogenously produced octanoic acid from octanoyl-acyl-carrier-protein onto the lipoyl domains of lipoate-dependent enzymes. Lipoyl-ACP can also act as a substrate although octanoyl-ACP is likely to be the physiological substrate.

AlphaFold DB , UniProt , Accession A0A087XXJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 231 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
1M41.5Very low82.4Confident235 Ų23589.3 Ų89.3100%1.15846%0.464SS*.  0111.10-73.3171.3165.300107.8T3M1-T3 PolarHBondContact O-N 2.74Å; M1-T3 VanDerWaalsContact O-N 3.08Å
2Q46.9Very low83.7Confident202 Ų20289.9 Ų89.994%0.94446%0.456SS*.  trans-64.9109.1169.5-86.6175-10.900106.9A4Q2-A4 PolarHBondContact O-N 3.2Å
3T61.2Low84.7Confident134 Ų13484.5 Ų84.582%0.82243%0.429SS*.PPolyproline II helixtrans-58.8121.3170.643.50000107.4M1 R5M1-T3 PolarHBondContact O-N 2.74Å; M1-T3 VanDerWaalsContact O-N 3.08Å; T3-R5 PolarHBondContact O-N 3.39Å
4A80.8Confident85.5Confident86 Ų8681 Ų8171%0.71142%0.424SS*.PPolyproline II helixtrans-53.1133.8179.500000109.8Q2Q2-A4 PolarHBondContact O-N 3.2Å
5R90.1Very high86.4Confident157 Ų15782.5 Ų82.559%0.59243%0.432SS*.PPolyproline II helixtrans-57.5129178.4-68.9-173.4-173.8176.12.8109.4T3 L7 S211 R213T3-R5 PolarHBondContact O-N 3.39Å; R5-L7 PolarHBondContact O-N 2.96Å; R5-S211 WeakPolarHBondContact CB-O 3.47Å; R5-S211 WeakPolarHBondContact CD-O 3.5Å; R5-S211 VanDerWaalsContact CG-O 3.31Å; R5-S211 WeakPolarHBondContact CG-O 3.4Å; R5-R213 HydrophobicContact CB-CG 4.23Å; R5-R213 PolarHBondContact O-NE 3.15Å; R5-R213 PolarHBondContact O-NH2 3.23Å
6P95.1Very high87.1Confident25 Ų2578.7 Ų78.716%0.16241%0.413CS..PPolyproline II helixtrans-52.6138177.6-27.535.6000111.1S100 F101 C212 R213P6-S100 WeakPolarHBondContact CG-O 3.47Å; P6-F101 HydrophobicContact CB-CE1 3.8Å; P6-F101 HydrophobicContact CB-CE2 4.2Å; P6-F101 HydrophobicContact CB-CZ 3.58Å; P6-F101 HydrophobicContact CG-CD1 4.03Å; P6-F101 HydrophobicContact CG-CE1 3.7Å; P6-F101 HydrophobicContact CG-CE2 4.42Å; P6-F101 HydrophobicContact CG-CZ 3.91Å; P6-C212 CarbonylContact O-C 3.59Å; P6-C212 WeakPolarHBondContact O-CA 3.39Å; P6-C212 VanDerWaalsContact O-CB 3.31Å; P6-C212 WeakPolarHBondContact O-CB 3.23Å; P6-R213 PolarHBondContact O-N 3.22Å
7L96.9Very high87.7Confident78 Ų7877.1 Ų77.141%0.40841%0.41SS..EExtended strand (participates in β ladder)trans-86.7133.8169.9-17764.8000108.5R5 H38 R213 T215R5-L7 PolarHBondContact O-N 2.96Å; L7-H38 PolarHBondContact O-CD2 3Å; L7-R213 HydrophobicContact CD1-CB 4.04Å; L7-T215 HydrophobicContact CD1-CG2 3.81Å; L7-T215 HydrophobicContact CD2-CG2 4.25Å; L7-T215 HydrophobicContact CG-CG2 4.1Å
8V98.4Very high88.3Confident0 Ų072.9 Ų72.90%039%0.388CS..EExtended strand (participates in β ladder)trans-127.4123.2177.1-172.50000108.3H38 L40 L96 F101 C212 R213 L214 T215V8-H38 WeakPolarHBondContact CA-O 3.47Å; V8-H38 HydrophobicContact CB-CB 4.23Å; V8-H38 HydrophobicContact CG1-CB 4.1Å; V8-H38 HydrophobicContact CG2-CB 3.86Å; V8-L40 HydrophobicContact CG1-CD2 4.29Å; V8-L40 HydrophobicContact CG1-CG 3.82Å; V8-L96 HydrophobicContact CG1-CD2 4.08Å; V8-L96 HydrophobicContact CG2-CD2 4.4Å; V8-F101 HydrophobicContact CG2-CZ 4.08Å; V8-C212 HydrophobicContact CG2-CB 3.91Å; V8-R213 PolarHBondContact N-O 2.95Å; V8-L214 HydrophobicContact CB-CD2 3.87Å; V8-L214 HydrophobicContact CG1-CD2 4.38Å; V8-L214 WeakPolarHBondContact O-CA 3.49Å; V8-T215 PolarHBondContact O-N 2.93Å; V8-T215 VanDerWaalsContact O-N 3.1Å
9E98.4Very high88.7Confident64 Ų6476.4 Ų76.430%0.29940%0.401SS..EExtended strand (participates in β ladder)trans-75.5140.8175-67.4179.4165.300110.2R31 H38 T39 L40 T215 A217E9-R31 IonicContact OE2-NH1 2.79Å; E9-H38 PolarHBondContact N-O 3.09Å; E9-T39 HydrophobicContact CB-CG2 4.24Å; E9-T39 CarbonylContact O-C 3.58Å; E9-T39 VanDerWaalsContact O-CA 3.25Å; E9-T39 WeakPolarHBondContact O-CA 3.32Å; E9-T39 WeakPolarHBondContact O-CG2 3.37Å; E9-L40 PolarHBondContact O-N 2.93Å; E9-T215 CarbonylContact C-O 3.46Å; E9-T215 WeakPolarHBondContact CA-O 3.43Å; E9-T215 HydrophobicContact CG-CG2 3.96Å; E9-A217 HydrophobicContact CB-CB 3.97Å; E9-A217 HydrophobicContact CG-CB 4.2Å
10V98.6Very high89.1Confident1 Ų175.6 Ų75.61%0.00640%0.395CS..EExtended strand (participates in β ladder)trans-108.8123.5173.9-178.60000107.4L40 L42 L203 L214 T215 A217V10-L40 HydrophobicContact CG2-CD1 4.46Å; V10-L42 HydrophobicContact CG1-CD1 3.9Å; V10-L42 HydrophobicContact CG1-CG 4.37Å; V10-L203 HydrophobicContact CG1-CD1 4.15Å; V10-L203 HydrophobicContact CG1-CD2 3.9Å; V10-L203 HydrophobicContact CG2-CD2 3.83Å; V10-L214 HydrophobicContact CG2-CB 4.1Å; V10-L214 HydrophobicContact CG2-CD1 4.4Å; V10-L214 HydrophobicContact CG2-CD2 4.23Å; V10-L214 HydrophobicContact CG2-CG 4.47Å; V10-T215 PolarHBondContact N-O 3.34Å; V10-A217 PolarHBondContact O-N 2.8Å
11V98.3Very high89.5Confident0 Ų072 Ų720%038%0.376CS..EExtended strand (participates in β ladder)trans-125.9121.7-176.8-1760000108.3L13 Y28 T39 L40 L41 L42 A217V11-L13 HydrophobicContact CG1-CD2 3.72Å; V11-Y28 HydrophobicContact CG2-CE1 4.13Å; V11-Y28 WeakPolarHBondContact CG2-OH 3.47Å; V11-T39 HydrophobicContact CB-CG2 4.36Å; V11-T39 HydrophobicContact CG2-CG2 3.62Å; V11-L40 PolarHBondContact N-O 2.83Å; V11-L41 HydrophobicContact CB-CD2 3.88Å; V11-L41 HydrophobicContact CG1-CD2 4.32Å; V11-L41 HydrophobicContact CG2-CD2 4.25Å; V11-L42 PolarHBondContact O-N 2.91Å; V11-A217 HydrophobicContact CG2-CB 4.06Å
12R97.6Very high92.1Very high97 Ų9763.4 Ų63.437%0.36634%0.335SS..EExtended strand (participates in β ladder)trans-101.2103.9-176.1-63.2167.8-172-93.2-2.1109.2E216 T219R12-E216 IonicContact CZ-OE1 2.77Å; R12-E216 IonicContact CZ-OE2 3.98Å; R12-E216 IonicContact NE-OE1 3.36Å; R12-E216 PolarHBondContact NE-OE1 3.24Å; R12-E216 IonicContact NE-OE2 3.56Å; R12-E216 PolarHBondContact NE-OE2 2.99Å; R12-E216 VanDerWaalsContact NE-OE2 3.12Å; R12-E216 IonicContact NH2-OE1 2.72Å; R12-E216 PolarHBondContact NH2-OE1 2.98Å; R12-E216 IonicContact NH2-OE2 2.91Å; R12-T219 PolarHBondContact O-OG1 3.49Å
13L97.1Very high94.5Very high20 Ų2058.8 Ų58.811%0.10531%0.309CS..EExtended strand (participates in β ladder)trans-85.9-15.3-176-53.1178.2000112.8V11 V16 L24 L41 L42 C43 T219V11-L13 HydrophobicContact CG1-CD2 3.72Å; L13-V16 HydrophobicContact CB-CG1 4.05Å; L13-V16 WeakPolarHBondContact O-CG1 3.08Å; L13-L24 HydrophobicContact CD1-CB 4.5Å; L13-L24 HydrophobicContact CD1-CD1 3.63Å; L13-L24 HydrophobicContact CD2-CD1 3.76Å; L13-L24 HydrophobicContact CG-CD1 4.25Å; L13-L41 HydrophobicContact CD1-CB 4Å; L13-L42 PolarHBondContact N-O 2.71Å; L13-C43 HydrophobicContact CB-CB 3.9Å; L13-C43 HydrophobicContact CD1-CB 4.22Å; L13-C43 HydrophobicContact CG-CB 4.49Å; L13-T219 HydrophobicContact CD2-CG2 3.55Å
14G96.4Very high96.1Very high35 Ų3552.6 Ų52.636%0.36127%0.271SS..EExtended strand (participates in β ladder)trans67.4-142.1-173.500000112.1C43 Q44G14-C43 CarbonylContact O-C 3.58Å; G14-C43 VanDerWaalsContact O-CA 3.31Å; G14-C43 WeakPolarHBondContact O-CA 3.36Å; G14-C43 WeakPolarHBondContact O-CB 3.17Å; G14-Q44 PolarHBondContact O-N 2.99Å
15L97.9Very high96.9Very high103 Ų10348.7 Ų48.754%0.53924%0.238SC..EExtended strand (participates in β ladder)trans-87.9115.2177.2-177.966.1000110.3Q44 H45 P87L15-Q44 HydrophobicContact CD1-CB 3.9Å; L15-H45 VanDerWaalsContact CD1-C 3.43Å; L15-P87 HydrophobicContact CD1-CG 4.45Å
16V97.8Very high97.3Very high22 Ų2246 Ų4613%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-130.9155.1-179.2-61.10000111.9L13 E20 C43 Q44 H45 S46L13-V16 HydrophobicContact CB-CG1 4.05Å; L13-V16 WeakPolarHBondContact O-CG1 3.08Å; V16-E20 HydrophobicContact CB-CB 4.43Å; V16-E20 HydrophobicContact CB-CG 4.33Å; V16-C43 HydrophobicContact CG2-CB 4.04Å; V16-Q44 PolarHBondContact N-O 3.48Å; V16-H45 VanDerWaalsContact O-CA 3.29Å; V16-H45 WeakPolarHBondContact O-CA 3.39Å; V16-H45 PolarHBondContact O-ND1 3.11Å; V16-S46 PolarHBondContact O-N 2.96Å
17S97.9Very high97.3Very high51 Ų5147.4 Ų47.436%0.35724%0.24SC..  trans-63.115617077.70000110.7Q19 E20 G21S17-Q19 VanDerWaalsContact C-N 3.27Å; S17-Q19 PolarHBondContact O-N 3.05Å; S17-E20 PolarHBondContact O-N 3.35Å; S17-E20 WeakPolarHBondContact OG-CB 3.39Å; S17-E20 PolarHBondContact OG-N 3.3Å; S17-E20 VanDerWaalsContact OG-N 3.14Å; S17-G21 PolarHBondContact O-N 3.27Å
18Y97.6Very high97.3Very high3 Ų343.7 Ų43.71%0.01222%0.22CC..Hα-helixtrans-60.6-40.1177.6-172.2-109.9000112.1E20 G21 L22 H45 V48 T50 H74 A76Y18-E20 PolarHBondContact O-N 2.91Å; Y18-G21 PolarHBondContact O-N 3.46Å; Y18-L22 HydrophobicContact CD1-CD1 3.95Å; Y18-L22 HydrophobicContact CD1-CG 4.31Å; Y18-L22 HydrophobicContact CE1-CD1 3.56Å; Y18-L22 HydrophobicContact CE1-CD2 4.26Å; Y18-L22 HydrophobicContact CE1-CG 3.94Å; Y18-L22 PolarHBondContact O-N 3.14Å; Y18-H45 AromaticContact CD2-CD2 3.9Å; Y18-H45 AromaticContact CD2-NE2 3.8Å; Y18-V48 HydrophobicContact CD1-CG2 4.46Å; Y18-V48 HydrophobicContact CD2-CG1 4.23Å; Y18-V48 HydrophobicContact CG-CG1 4.33Å; Y18-V48 HydrophobicContact CG-CG2 4.1Å; Y18-T50 HydrophobicContact CD1-CG2 4.03Å; Y18-T50 HydrophobicContact CD2-CG2 3.95Å; Y18-T50 HydrophobicContact CE1-CG2 3.64Å; Y18-T50 HydrophobicContact CE2-CG2 3.6Å; Y18-T50 HydrophobicContact CG-CG2 4.16Å; Y18-T50 VanDerWaalsContact CZ-CG2 3.44Å; Y18-H74 HydrophobicContact CD1-CB 3.74Å; Y18-H74 AromaticContact CD1-CD2 3.84Å; Y18-H74 AromaticContact CD1-CG 3.69Å; Y18-H74 HydrophobicContact CE1-CB 3.84Å; Y18-A76 HydrophobicContact CE1-CB 4.49Å; Y18-A76 VanDerWaalsContact OH-CB 3.3Å; Y18-A76 WeakPolarHBondContact OH-CB 3.45Å
19Q96.3Very high97.3Very high139 Ų13945.3 Ų45.365%0.6523%0.23SC*.Hα-helixtrans-63.5-40.5178.6-174.1172.13.100112.1S17 L22 R23S17-Q19 VanDerWaalsContact C-N 3.27Å; S17-Q19 PolarHBondContact O-N 3.05Å; Q19-L22 PolarHBondContact O-N 3.16Å; Q19-R23 PolarHBondContact O-N 2.9Å
20E96.4Very high97.2Very high59 Ų5944.5 Ų44.528%0.27623%0.228SC..Hα-helixtrans-66.1-40.8175.5-179.857.7-168.800111.5V16 S17 Y18 L22 R23 L24V16-E20 HydrophobicContact CB-CB 4.43Å; V16-E20 HydrophobicContact CB-CG 4.33Å; S17-E20 PolarHBondContact O-N 3.35Å; S17-E20 WeakPolarHBondContact OG-CB 3.39Å; S17-E20 PolarHBondContact OG-N 3.3Å; S17-E20 VanDerWaalsContact OG-N 3.14Å; Y18-E20 PolarHBondContact O-N 2.91Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.4Å; E20-R23 WeakPolarHBondContact O-CB 3.44Å; E20-R23 PolarHBondContact O-N 3.06Å; E20-R23 IonicContact OE1-CZ 2.67Å; E20-R23 IonicContact OE1-NE 2.8Å; E20-R23 PolarHBondContact OE1-NE 2.51Å; E20-R23 IonicContact OE1-NH2 2.74Å; E20-R23 PolarHBondContact OE1-NH2 3.34Å; E20-R23 IonicContact OE2-CZ 3.68Å; E20-R23 IonicContact OE2-NE 3.4Å; E20-R23 PolarHBondContact OE2-NE 2.99Å; E20-R23 IonicContact OE2-NH2 3.32Å; E20-L24 HydrophobicContact CG-CD1 4.11Å; E20-L24 WeakPolarHBondContact O-CG 3.49Å; E20-L24 PolarHBondContact O-N 2.69Å
21G97.3Very high97.1Very high0 Ų048.5 Ų48.50%024%0.243CC..Hα-helixtrans-58.2-38.717200000113.5S17 Y18 Q25S17-G21 PolarHBondContact O-N 3.27Å; Y18-G21 PolarHBondContact O-N 3.46Å; G21-Q25 VanDerWaalsContact O-CG 3.27Å; G21-Q25 WeakPolarHBondContact O-CG 3.47Å; G21-Q25 PolarHBondContact O-N 3.5Å; G21-Q25 VanDerWaalsContact O-N 3.07Å; G21-Q25 PolarHBondContact O-NE2 2.88Å
22L96.6Very high97Very high55 Ų5549.4 Ų49.429%0.28825%0.247SC..Hα-helixtrans-68.2-42.9174.4-71176.9000112.2Y18 Q19 E20 L24 Q25 Q26Y18-L22 HydrophobicContact CD1-CD1 3.95Å; Y18-L22 HydrophobicContact CD1-CG 4.31Å; Y18-L22 HydrophobicContact CE1-CD1 3.56Å; Y18-L22 HydrophobicContact CE1-CD2 4.26Å; Y18-L22 HydrophobicContact CE1-CG 3.94Å; Y18-L22 PolarHBondContact O-N 3.14Å; Q19-L22 PolarHBondContact O-N 3.16Å; E20-L22 VanDerWaalsContact C-N 3.3Å; E20-L22 PolarHBondContact O-N 3.4Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.27Å; L22-Q25 PolarHBondContact O-N 2.8Å; L22-Q26 PolarHBondContact O-N 2.93Å
23R96.9Very high96.8Very high105 Ų10553.8 Ų53.840%0.39626%0.264SS..Hα-helixtrans-58.7-46.8177.2-170.9-168.871.782.50.1110.8Q19 E20 Q26 V27Q19-R23 PolarHBondContact O-N 2.9Å; E20-R23 WeakPolarHBondContact O-CB 3.44Å; E20-R23 PolarHBondContact O-N 3.06Å; E20-R23 IonicContact OE1-CZ 2.67Å; E20-R23 IonicContact OE1-NE 2.8Å; E20-R23 PolarHBondContact OE1-NE 2.51Å; E20-R23 IonicContact OE1-NH2 2.74Å; E20-R23 PolarHBondContact OE1-NH2 3.34Å; E20-R23 IonicContact OE2-CZ 3.68Å; E20-R23 IonicContact OE2-NE 3.4Å; E20-R23 PolarHBondContact OE2-NE 2.99Å; E20-R23 IonicContact OE2-NH2 3.32Å; R23-Q26 WeakPolarHBondContact O-CB 3.41Å; R23-Q26 PolarHBondContact O-N 3.31Å; R23-V27 WeakPolarHBondContact O-CG2 3.43Å; R23-V27 PolarHBondContact O-N 3.33Å
24L96.6Very high96.6Very high4 Ų462.1 Ų62.12%0.02130%0.3CS..Hα-helixtrans-64-43.9178-70.7166.9000111.6L13 E20 L22 Q26 V27 Y28 L41L13-L24 HydrophobicContact CD1-CB 4.5Å; L13-L24 HydrophobicContact CD1-CD1 3.63Å; L13-L24 HydrophobicContact CD2-CD1 3.76Å; L13-L24 HydrophobicContact CG-CD1 4.25Å; E20-L24 HydrophobicContact CG-CD1 4.11Å; E20-L24 WeakPolarHBondContact O-CG 3.49Å; E20-L24 PolarHBondContact O-N 2.69Å; L22-L24 VanDerWaalsContact C-N 3.33Å; L22-L24 PolarHBondContact O-N 3.27Å; L24-Q26 PolarHBondContact O-N 2.97Å; L24-V27 WeakPolarHBondContact O-CB 3.33Å; L24-V27 PolarHBondContact O-N 3.3Å; L24-V27 VanDerWaalsContact O-N 3.13Å; L24-Y28 VanDerWaalsContact O-CD2 3.29Å; L24-Y28 WeakPolarHBondContact O-CD2 3.2Å; L24-Y28 PolarHBondContact O-N 3.24Å; L24-L41 HydrophobicContact CB-CD1 4.41Å
25Q97.6Very high96.4Very high5 Ų561.9 Ų61.92%0.02330%0.297CS..Hα-helixtrans-55.7-39.5173.1-76.3175.580.600112.7G21 L22 Y28 T29 L41 Y93G21-Q25 VanDerWaalsContact O-CG 3.27Å; G21-Q25 WeakPolarHBondContact O-CG 3.47Å; G21-Q25 PolarHBondContact O-N 3.5Å; G21-Q25 VanDerWaalsContact O-N 3.07Å; G21-Q25 PolarHBondContact O-NE2 2.88Å; L22-Q25 PolarHBondContact O-N 2.8Å; Q25-Y28 PolarHBondContact O-N 3.16Å; Q25-T29 VanDerWaalsContact O-CB 3.28Å; Q25-T29 WeakPolarHBondContact O-CB 3.07Å; Q25-T29 PolarHBondContact O-N 2.95Å; Q25-T29 PolarHBondContact O-OG1 2.89Å; Q25-L41 HydrophobicContact CB-CD1 4.5Å; Q25-L41 HydrophobicContact CG-CD1 3.83Å; Q25-Y93 HydrophobicContact CG-CD2 3.85Å; Q25-Y93 HydrophobicContact CG-CG 4Å
26Q96.6Very high96.1Very high101 Ų10161.2 Ų61.247%0.47230%0.298SS..Hα-helixtrans-64.6-46.1176.4-175.158.352.100111.6L22 R23 L24 Y28 T29 D30L22-Q26 PolarHBondContact O-N 2.93Å; R23-Q26 WeakPolarHBondContact O-CB 3.41Å; R23-Q26 PolarHBondContact O-N 3.31Å; L24-Q26 PolarHBondContact O-N 2.97Å; Q26-Y28 VanDerWaalsContact C-N 3.33Å; Q26-Y28 PolarHBondContact O-N 2.88Å; Q26-T29 PolarHBondContact O-N 3.3Å; Q26-D30 PolarHBondContact NE2-OD1 3.26Å; Q26-D30 PolarHBondContact NE2-OD2 3.3Å; Q26-D30 PolarHBondContact O-N 3.28Å
27V96.6Very high96Very high53 Ų5361.4 Ų61.432%0.32130%0.303SS..Hα-helixtrans-53.8-49.8175.5170.20000111R23 L24 D30 R31R23-V27 WeakPolarHBondContact O-CG2 3.43Å; R23-V27 PolarHBondContact O-N 3.33Å; L24-V27 WeakPolarHBondContact O-CB 3.33Å; L24-V27 PolarHBondContact O-N 3.3Å; L24-V27 VanDerWaalsContact O-N 3.13Å; V27-D30 PolarHBondContact O-N 3.42Å; V27-R31 PolarHBondContact O-N 2.92Å
28Y96.8Very high96Very high1 Ų159.5 Ų59.50%0.00429%0.288CS..Hα-helixtrans-71-33.6-179.4-79.3-86.9000113V11 L24 Q25 Q26 D30 R31 T39 L41 P220V11-Y28 HydrophobicContact CG2-CE1 4.13Å; V11-Y28 WeakPolarHBondContact CG2-OH 3.47Å; L24-Y28 VanDerWaalsContact O-CD2 3.29Å; L24-Y28 WeakPolarHBondContact O-CD2 3.2Å; L24-Y28 PolarHBondContact O-N 3.24Å; Q25-Y28 PolarHBondContact O-N 3.16Å; Q26-Y28 VanDerWaalsContact C-N 3.33Å; Q26-Y28 PolarHBondContact O-N 2.88Å; Y28-D30 VanDerWaalsContact C-N 3.31Å; Y28-D30 PolarHBondContact O-N 3.22Å; Y28-R31 WeakPolarHBondContact O-CB 3.46Å; Y28-R31 PolarHBondContact O-N 3.45Å; Y28-T39 HydrophobicContact CD1-CG2 3.65Å; Y28-T39 WeakPolarHBondContact CD1-OG1 3.26Å; Y28-T39 HydrophobicContact CE1-CG2 3.57Å; Y28-T39 HydrophobicContact CG-CG2 4.34Å; Y28-L41 HydrophobicContact CD1-CD2 4.42Å; Y28-L41 HydrophobicContact CD2-CD1 4.04Å; Y28-L41 HydrophobicContact CD2-CD2 3.61Å; Y28-L41 HydrophobicContact CD2-CG 4.4Å; Y28-L41 HydrophobicContact CE1-CD2 4.35Å; Y28-L41 HydrophobicContact CE2-CD2 3.58Å; Y28-L41 HydrophobicContact CG-CD2 4.05Å; Y28-P220 HydrophobicContact CE2-CG 4Å; Y28-P220 VanDerWaalsContact OH-CD 3.26Å; Y28-P220 WeakPolarHBondContact OH-CD 3.22Å; Y28-P220 WeakPolarHBondContact OH-CG 3.39Å
29T97.3Very high96.1Very high34 Ų3459.3 Ų59.321%0.20929%0.287CS..Hα-helixtrans-63-39.9173-61.10000110.7Q25 Q26 R31 H32 V153Q25-T29 VanDerWaalsContact O-CB 3.28Å; Q25-T29 WeakPolarHBondContact O-CB 3.07Å; Q25-T29 PolarHBondContact O-N 2.95Å; Q25-T29 PolarHBondContact O-OG1 2.89Å; Q26-T29 PolarHBondContact O-N 3.3Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 3.45Å; T29-H32 WeakPolarHBondContact O-CB 3.45Å; T29-H32 PolarHBondContact O-N 3.27Å; T29-V153 HydrophobicContact CG2-CG1 3.87Å
30D96.7Very high96.2Very high47 Ų4752.7 Ų52.725%0.25126%0.256SS..Hα-helixtrans-70.6-25.5-179.3-77.3-37.7000113.7Q26 V27 Y28 H32 R33Q26-D30 PolarHBondContact NE2-OD1 3.26Å; Q26-D30 PolarHBondContact NE2-OD2 3.3Å; Q26-D30 PolarHBondContact O-N 3.28Å; V27-D30 PolarHBondContact O-N 3.42Å; Y28-D30 VanDerWaalsContact C-N 3.31Å; Y28-D30 PolarHBondContact O-N 3.22Å; D30-H32 PolarHBondContact O-N 3.07Å; D30-H32 VanDerWaalsContact O-N 3.15Å; D30-R33 VanDerWaalsContact O-CB 3.29Å; D30-R33 WeakPolarHBondContact O-CB 3.19Å; D30-R33 WeakPolarHBondContact O-CG 3.46Å; D30-R33 PolarHBondContact O-N 3.33Å; D30-R33 IonicContact OD1-CZ 3.2Å; D30-R33 IonicContact OD1-NE 2.92Å; D30-R33 PolarHBondContact OD1-NE 3.03Å; D30-R33 IonicContact OD1-NH2 3.54Å; D30-R33 PolarHBondContact OD1-NH2 3.45Å
31R96.3Very high96.3Very high84 Ų8449.9 Ų49.932%0.31724%0.243SC..Hα-helixtrans-56.9-29.6171.9-66.1179.5-177.4-165.2-0.2112E9 V27 Y28 T29 R33 F34 A37E9-R31 IonicContact OE2-NH1 2.79Å; V27-R31 PolarHBondContact O-N 2.92Å; Y28-R31 WeakPolarHBondContact O-CB 3.46Å; Y28-R31 PolarHBondContact O-N 3.45Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 3.45Å; R31-R33 PolarHBondContact O-N 2.98Å; R31-R33 VanDerWaalsContact O-N 3.09Å; R31-F34 PolarHBondContact O-N 3.04Å; R31-A37 HydrophobicContact CB-CB 3.68Å
32H96.5Very high96.4Very high19 Ų1950.2 Ų50.29%0.08825%0.245CC..G310 helixtrans-65.1-12.2178.2-77.7-72000115T29 D30 F34 G35 A37 H38 N97 V153T29-H32 WeakPolarHBondContact O-CB 3.45Å; T29-H32 PolarHBondContact O-N 3.27Å; D30-H32 PolarHBondContact O-N 3.07Å; D30-H32 VanDerWaalsContact O-N 3.15Å; H32-F34 PolarHBondContact O-N 2.77Å; H32-G35 CarbonylContact C-O 3.57Å; H32-G35 VanDerWaalsContact CA-O 3.23Å; H32-G35 WeakPolarHBondContact CA-O 3.26Å; H32-G35 PolarHBondContact O-N 2.91Å; H32-A37 VanDerWaalsContact CE1-C 3.47Å; H32-A37 PolarHBondContact CE1-N 3.27Å; H32-A37 PolarHBondContact ND1-N 3.3Å; H32-A37 VanDerWaalsContact ND1-N 3.18Å; H32-A37 PolarHBondContact NE2-O 3.31Å; H32-H38 AromaticContact CE1-ND1 3.64Å; H32-N97 PolarHBondContact CE1-N 3.2Å; H32-V153 HydrophobicContact CB-CG1 4.44Å; H32-V153 HydrophobicContact CB-CG2 3.93Å; H32-V153 VanDerWaalsContact CD2-CG1 3.47Å; H32-V153 WeakPolarHBondContact CD2-CG1 3.43Å
33R93.3Very high96.5Very high189 Ų18947.8 Ų47.871%0.71323%0.232SC*.G310 helixtrans-64.9-25.2174.2-64.8175.6-172.6-149.76.2112.7D30 R31D30-R33 VanDerWaalsContact O-CB 3.29Å; D30-R33 WeakPolarHBondContact O-CB 3.19Å; D30-R33 WeakPolarHBondContact O-CG 3.46Å; D30-R33 PolarHBondContact O-N 3.33Å; D30-R33 IonicContact OD1-CZ 3.2Å; D30-R33 IonicContact OD1-NE 2.92Å; D30-R33 PolarHBondContact OD1-NE 3.03Å; D30-R33 IonicContact OD1-NH2 3.54Å; D30-R33 PolarHBondContact OD1-NH2 3.45Å; R31-R33 PolarHBondContact O-N 2.98Å; R31-R33 VanDerWaalsContact O-N 3.09Å
34F93.8Very high96.6Very high196 Ų19644.5 Ų44.586%0.8622%0.222SC*.G310 helixtrans-102.62.9-178.3-55.2-73.8000113.3R31 H32R31-F34 PolarHBondContact O-N 3.04Å; H32-F34 PolarHBondContact O-N 2.77Å
35G91.9Very high96.7Very high29 Ų2944.3 Ų44.330%0.29922%0.221SC..SBendtrans135.3177.3-178.900000112.6H32 A37H32-G35 CarbonylContact C-O 3.57Å; H32-G35 VanDerWaalsContact CA-O 3.23Å; H32-G35 WeakPolarHBondContact CA-O 3.26Å; H32-G35 PolarHBondContact O-N 2.91Å; G35-A37 PolarHBondContact O-N 2.72Å; G35-A37 VanDerWaalsContact O-N 3.16Å
36P91.9Very high96.7Very high89 Ų8946.1 Ų46.158%0.57823%0.234SC*.  trans-62.1115.9176.6-21.433.6000112.2
37A96Very high96.8Very high27 Ų2743 Ų4322%0.22322%0.222CC..  trans-131.365.5-179.500000110R31 H32 G35R31-A37 HydrophobicContact CB-CB 3.68Å; H32-A37 VanDerWaalsContact CE1-C 3.47Å; H32-A37 PolarHBondContact CE1-N 3.27Å; H32-A37 PolarHBondContact ND1-N 3.3Å; H32-A37 VanDerWaalsContact ND1-N 3.18Å; H32-A37 PolarHBondContact NE2-O 3.31Å; G35-A37 PolarHBondContact O-N 2.72Å; G35-A37 VanDerWaalsContact O-N 3.16Å
38H98.2Very high96.8Very high10 Ų1040.5 Ų40.55%0.04621%0.207CC..EExtended strand (participates in β ladder)trans-71.6139.4-170.9-51.2-68.8000112.1L7 V8 E9 H32 V95 L96 N97 S100 F101L7-H38 PolarHBondContact O-CD2 3Å; V8-H38 WeakPolarHBondContact CA-O 3.47Å; V8-H38 HydrophobicContact CB-CB 4.23Å; V8-H38 HydrophobicContact CG1-CB 4.1Å; V8-H38 HydrophobicContact CG2-CB 3.86Å; E9-H38 PolarHBondContact N-O 3.09Å; H32-H38 AromaticContact CE1-ND1 3.64Å; H38-V95 WeakPolarHBondContact CA-O 3.4Å; H38-L96 HydrophobicContact CB-CD2 3.81Å; H38-N97 PolarHBondContact CE1-N 3.31Å; H38-N97 PolarHBondContact CE1-O 2.86Å; H38-N97 PolarHBondContact ND1-N 2.83Å; H38-S100 VanDerWaalsContact CE1-CB 3.48Å; H38-S100 WeakPolarHBondContact CE1-CB 3.42Å; H38-S100 PolarHBondContact CE1-OG 3.29Å; H38-S100 VanDerWaalsContact NE2-CB 3.31Å; H38-S100 WeakPolarHBondContact NE2-CB 3.28Å; H38-S100 PolarHBondContact NE2-OG 3.26Å; H38-F101 AromaticContact CE1-CE2 3.64Å; H38-F101 AromaticContact ND1-CE2 3.69Å; H38-F101 AromaticContact NE2-CE2 3.97Å
39T98.5Very high96.8Very high0 Ų040.5 Ų40.50%021%0.207CC..EExtended strand (participates in β ladder)trans-144.8145.8-178.2-51.60000112.7E9 V11 Y28 L41 P94 V95E9-T39 HydrophobicContact CB-CG2 4.24Å; E9-T39 CarbonylContact O-C 3.58Å; E9-T39 VanDerWaalsContact O-CA 3.25Å; E9-T39 WeakPolarHBondContact O-CA 3.32Å; E9-T39 WeakPolarHBondContact O-CG2 3.37Å; V11-T39 HydrophobicContact CB-CG2 4.36Å; V11-T39 HydrophobicContact CG2-CG2 3.62Å; Y28-T39 HydrophobicContact CD1-CG2 3.65Å; Y28-T39 WeakPolarHBondContact CD1-OG1 3.26Å; Y28-T39 HydrophobicContact CE1-CG2 3.57Å; Y28-T39 HydrophobicContact CG-CG2 4.34Å; T39-L41 HydrophobicContact CG2-CD2 3.58Å; T39-L41 HydrophobicContact CG2-CG 4.3Å; T39-P94 CarbonylContact O-C 3.55Å; T39-P94 WeakPolarHBondContact O-CA 3.32Å; T39-V95 PolarHBondContact N-O 2.89Å; T39-V95 PolarHBondContact O-N 3.4Å
40L98.6Very high96.7Very high0 Ų038.9 Ų38.90%020%0.197CC..EExtended strand (participates in β ladder)trans-105.3110.7162.4-61.2-173.6000109V8 E9 V10 V11 L42 P94 L203 F206 L214V8-L40 HydrophobicContact CG1-CD2 4.29Å; V8-L40 HydrophobicContact CG1-CG 3.82Å; E9-L40 PolarHBondContact O-N 2.93Å; V10-L40 HydrophobicContact CG2-CD1 4.46Å; V11-L40 PolarHBondContact N-O 2.83Å; L40-L42 HydrophobicContact CB-CD2 4.47Å; L40-P94 HydrophobicContact CD2-CB 3.52Å; L40-P94 HydrophobicContact CD2-CG 3.88Å; L40-L203 HydrophobicContact CD1-CD2 3.84Å; L40-F206 HydrophobicContact CD1-CB 4.49Å; L40-F206 HydrophobicContact CD1-CD1 3.75Å; L40-F206 HydrophobicContact CD1-CD2 4.3Å; L40-F206 HydrophobicContact CD1-CE1 4.02Å; L40-F206 HydrophobicContact CD1-CG 3.91Å; L40-F206 HydrophobicContact CD1-CZ 4.41Å; L40-F206 HydrophobicContact CD2-CD1 4.44Å; L40-F206 HydrophobicContact CD2-CD2 4.26Å; L40-F206 HydrophobicContact CD2-CE1 3.96Å; L40-F206 HydrophobicContact CD2-CE2 3.76Å; L40-F206 HydrophobicContact CD2-CZ 3.61Å; L40-F206 HydrophobicContact CG-CE1 4.32Å; L40-F206 HydrophobicContact CG-CZ 4.45Å; L40-L214 HydrophobicContact CD1-CD2 4.27Å
41L98.7Very high96.4Very high0 Ų037.3 Ų37.30%019%0.19CC..EExtended strand (participates in β ladder)trans-89.3117.3169.8-49.9177.2000108.4V11 L13 L24 Q25 Y28 T39 C92 Y93 V95V11-L41 HydrophobicContact CB-CD2 3.88Å; V11-L41 HydrophobicContact CG1-CD2 4.32Å; V11-L41 HydrophobicContact CG2-CD2 4.25Å; L13-L41 HydrophobicContact CD1-CB 4Å; L24-L41 HydrophobicContact CB-CD1 4.41Å; Q25-L41 HydrophobicContact CB-CD1 4.5Å; Q25-L41 HydrophobicContact CG-CD1 3.83Å; Y28-L41 HydrophobicContact CD1-CD2 4.42Å; Y28-L41 HydrophobicContact CD2-CD1 4.04Å; Y28-L41 HydrophobicContact CD2-CD2 3.61Å; Y28-L41 HydrophobicContact CD2-CG 4.4Å; Y28-L41 HydrophobicContact CE1-CD2 4.35Å; Y28-L41 HydrophobicContact CE2-CD2 3.58Å; Y28-L41 HydrophobicContact CG-CD2 4.05Å; T39-L41 HydrophobicContact CG2-CD2 3.58Å; T39-L41 HydrophobicContact CG2-CG 4.3Å; L41-C92 CarbonylContact O-C 3.54Å; L41-C92 WeakPolarHBondContact O-CA 3.32Å; L41-Y93 HydrophobicContact CB-CD2 4.35Å; L41-Y93 PolarHBondContact N-O 2.78Å; L41-Y93 PolarHBondContact O-N 2.84Å; L41-V95 HydrophobicContact CD1-CG2 4.35Å
42L98.8Very high96Very high6 Ų633.6 Ų33.63%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-105.5126.9177.6-54.7-175.3000109.5V10 V11 L13 L40 V91 C92 V199 L202 L203V10-L42 HydrophobicContact CG1-CD1 3.9Å; V10-L42 HydrophobicContact CG1-CG 4.37Å; V11-L42 PolarHBondContact O-N 2.91Å; L13-L42 PolarHBondContact N-O 2.71Å; L40-L42 HydrophobicContact CB-CD2 4.47Å; L42-V91 WeakPolarHBondContact CA-O 3.35Å; L42-C92 HydrophobicContact CD2-CB 3.7Å; L42-C92 VanDerWaalsContact CD2-SG 3.56Å; L42-V199 HydrophobicContact CD1-CG1 3.55Å; L42-V199 HydrophobicContact CD1-CG2 4.24Å; L42-L202 HydrophobicContact CD2-CD2 4.02Å; L42-L203 HydrophobicContact CD1-CD2 4.14Å
43C98.6Very high95.4Very high4 Ų437.8 Ų37.83%0.02720%0.199CC..EExtended strand (participates in β ladder)trans-152.9173-179.968.70000113.1L13 G14 V16 V91L13-C43 HydrophobicContact CB-CB 3.9Å; L13-C43 HydrophobicContact CD1-CB 4.22Å; L13-C43 HydrophobicContact CG-CB 4.49Å; G14-C43 CarbonylContact O-C 3.58Å; G14-C43 VanDerWaalsContact O-CA 3.31Å; G14-C43 WeakPolarHBondContact O-CA 3.36Å; G14-C43 WeakPolarHBondContact O-CB 3.17Å; V16-C43 HydrophobicContact CG2-CB 4.04Å; C43-V91 PolarHBondContact N-O 3.27Å; C43-V91 PolarHBondContact O-N 2.98Å
44Q98.7Very high94.5Very high37 Ų3736.3 Ų36.317%0.17319%0.194CC..EExtended strand (participates in β ladder)trans-119.7157.3160-57.5-179.462.800107.4G14 L15 V16 V195G14-Q44 PolarHBondContact O-N 2.99Å; L15-Q44 HydrophobicContact CD1-CB 3.9Å; V16-Q44 PolarHBondContact N-O 3.48Å; Q44-V195 HydrophobicContact CG-CB 4.39Å; Q44-V195 HydrophobicContact CG-CG1 4.18Å; Q44-V195 HydrophobicContact CG-CG2 3.94Å
45H98.6Very high93.1Very high0 Ų034.3 Ų34.30%019%0.187CC..EExtended strand (participates in β ladder)trans-112.2147.5175.5-73.5-48.6000112.2L15 V16 Y18 V48 H85 G86 P87 Y93L15-H45 VanDerWaalsContact CD1-C 3.43Å; V16-H45 VanDerWaalsContact O-CA 3.29Å; V16-H45 WeakPolarHBondContact O-CA 3.39Å; V16-H45 PolarHBondContact O-ND1 3.11Å; Y18-H45 AromaticContact CD2-CD2 3.9Å; Y18-H45 AromaticContact CD2-NE2 3.8Å; H45-V48 HydrophobicContact CB-CG1 4.04Å; H45-H85 HydrophobicContact CB-CB 4.06Å; H45-G86 CarbonylContact O-C 3.59Å; H45-G86 WeakPolarHBondContact O-CA 3.2Å; H45-P87 VanDerWaalsContact O-CD 3.29Å; H45-P87 WeakPolarHBondContact O-CD 3.31Å; H45-Y93 AromaticContact NE2-CE2 3.76Å; H45-Y93 AromaticContact NE2-CZ 3.63Å; H45-Y93 PolarHBondContact NE2-OH 2.88Å
46S98Very high91.5Very high43 Ų4341.8 Ų41.830%0.30121%0.211SC..SBendtrans-56.4149.8156.4-52.10000109.2V16 V48V16-S46 PolarHBondContact O-N 2.96Å; S46-V48 WeakPolarHBondContact O-CG1 3.25Å; S46-V48 PolarHBondContact O-N 2.92Å; S46-V48 VanDerWaalsContact O-N 3.15Å
47P98.4Very high90.4Very high35 Ų3543.6 Ų43.623%0.22722%0.223CC..SBendtrans-47121.6-175.6-31.137000113.1A71 N72 F84 H85 W168P47-A71 HydrophobicContact CB-CB 4.14Å; P47-A71 WeakPolarHBondContact O-CA 3.32Å; P47-N72 PolarHBondContact O-N 3.12Å; P47-F84 HydrophobicContact CB-CE2 4.04Å; P47-F84 HydrophobicContact CB-CZ 4.33Å; P47-H85 WeakPolarHBondContact CA-O 3.38Å; P47-W168 HydrophobicContact CB-CH2 4.08Å; P47-W168 HydrophobicContact CB-CZ2 4.14Å; P47-W168 HydrophobicContact CB-CZ3 4.45Å; P47-W168 HydrophobicContact CG-CZ2 4.21Å
48V98.1Very high89.4Confident1 Ų144.6 Ų44.61%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-151.2136.8-176.262.70000111.5Y18 H45 S46 T50 N72 F84 H85Y18-V48 HydrophobicContact CD1-CG2 4.46Å; Y18-V48 HydrophobicContact CD2-CG1 4.23Å; Y18-V48 HydrophobicContact CG-CG1 4.33Å; Y18-V48 HydrophobicContact CG-CG2 4.1Å; H45-V48 HydrophobicContact CB-CG1 4.04Å; S46-V48 WeakPolarHBondContact O-CG1 3.25Å; S46-V48 PolarHBondContact O-N 2.92Å; S46-V48 VanDerWaalsContact O-N 3.15Å; V48-T50 HydrophobicContact CG1-CG2 4.47Å; V48-T50 HydrophobicContact CG2-CG2 3.91Å; V48-N72 CarbonylContact C-O 3.57Å; V48-N72 VanDerWaalsContact CA-O 3.31Å; V48-N72 WeakPolarHBondContact CA-O 3.28Å; V48-N72 HydrophobicContact CB-CB 4.18Å; V48-N72 HydrophobicContact CG2-CB 3.91Å; V48-F84 CarbonylContact O-C 3.53Å; V48-F84 WeakPolarHBondContact O-CA 3.41Å; V48-F84 WeakPolarHBondContact O-CD2 3.35Å; V48-H85 HydrophobicContact CG1-CB 3.73Å; V48-H85 PolarHBondContact N-O 3.1Å; V48-H85 PolarHBondContact O-N 2.95Å
49Y96.4Very high88.8Confident0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-100.6132.8164.5-66.1-86.4000110.2L66 A71 N72 V73 H74 T83 F84 W168 I172Y49-L66 HydrophobicContact CD1-CD1 4.01Å; Y49-L66 HydrophobicContact CD2-CB 3.75Å; Y49-L66 HydrophobicContact CD2-CD1 3.78Å; Y49-L66 HydrophobicContact CD2-CD2 4.14Å; Y49-L66 HydrophobicContact CD2-CG 4.06Å; Y49-L66 HydrophobicContact CE1-CD1 4.37Å; Y49-L66 HydrophobicContact CE1-CD2 4.22Å; Y49-L66 HydrophobicContact CE2-CB 3.9Å; Y49-L66 HydrophobicContact CE2-CD1 4.17Å; Y49-L66 HydrophobicContact CE2-CD2 3.66Å; Y49-L66 HydrophobicContact CE2-CG 4.08Å; Y49-L66 HydrophobicContact CG-CB 4.48Å; Y49-L66 HydrophobicContact CG-CD1 3.67Å; Y49-L66 HydrophobicContact CG-CG 4.44Å; Y49-A71 HydrophobicContact CD2-CB 3.59Å; Y49-A71 HydrophobicContact CE2-CB 3.6Å; Y49-N72 PolarHBondContact N-O 3.39Å; Y49-V73 WeakPolarHBondContact O-CA 3.48Å; Y49-H74 PolarHBondContact O-N 3.47Å; Y49-T83 WeakPolarHBondContact CA-O 3.18Å; Y49-F84 HydrophobicContact CD1-CB 3.94Å; Y49-F84 HydrophobicContact CD1-CD2 4.18Å; Y49-F84 HydrophobicContact CD2-CD2 4.39Å; Y49-F84 HydrophobicContact CE1-CB 3.76Å; Y49-F84 AromaticContact CE1-CD2 3.87Å; Y49-F84 HydrophobicContact CE1-CD2 3.87Å; Y49-F84 HydrophobicContact CE1-CG 4.21Å; Y49-F84 HydrophobicContact CE2-CD2 4.09Å; Y49-F84 HydrophobicContact CG-CD2 4.45Å; Y49-F84 AromaticContact CZ-CD2 3.84Å; Y49-W168 WeakPolarHBondContact CE1-O 3.41Å; Y49-W168 AromaticContact CE2-CE3 3.95Å; Y49-W168 HydrophobicContact CE2-CE3 3.95Å; Y49-W168 HydrophobicContact CE2-CZ3 4.33Å; Y49-W168 PolarHBondContact OH-O 3.07Å; Y49-I172 HydrophobicContact CD1-CD1 4.11Å; Y49-I172 HydrophobicContact CD1-CG2 3.71Å; Y49-I172 HydrophobicContact CE1-CB 4.48Å; Y49-I172 HydrophobicContact CE1-CD1 4.01Å; Y49-I172 HydrophobicContact CE1-CG1 4.12Å; Y49-I172 HydrophobicContact CE1-CG2 3.55Å
50T94.1Very high88.2Confident0 Ų049.5 Ų49.50%026%0.26CS..EExtended strand (participates in β ladder)trans-122127.7178.767.60000110.2Y18 V48 H74 R78 I82 T83 H85Y18-T50 HydrophobicContact CD1-CG2 4.03Å; Y18-T50 HydrophobicContact CD2-CG2 3.95Å; Y18-T50 HydrophobicContact CE1-CG2 3.64Å; Y18-T50 HydrophobicContact CE2-CG2 3.6Å; Y18-T50 HydrophobicContact CG-CG2 4.16Å; Y18-T50 VanDerWaalsContact CZ-CG2 3.44Å; V48-T50 HydrophobicContact CG1-CG2 4.47Å; V48-T50 HydrophobicContact CG2-CG2 3.91Å; T50-H74 CarbonylContact C-O 3.57Å; T50-H74 VanDerWaalsContact CA-O 3.25Å; T50-H74 WeakPolarHBondContact CA-O 3.36Å; T50-R78 PolarHBondContact O-NH2 3.04Å; T50-R78 PolarHBondContact OG1-NE 3.46Å; T50-R78 PolarHBondContact OG1-NH2 2.99Å; T50-I82 CarbonylContact O-C 3.59Å; T50-I82 VanDerWaalsContact O-CA 3.23Å; T50-I82 WeakPolarHBondContact O-CA 3.41Å; T50-T83 PolarHBondContact N-O 3.34Å; T50-T83 PolarHBondContact O-N 2.88Å; T50-H85 PolarHBondContact OG1-NE2 3.09Å
51T91.3Very high87.7Confident15 Ų1554.5 Ų54.59%0.09229%0.293CS..EExtended strand (participates in β ladder)trans-96.1125.5173.859.80000109.5Y58 L63 H74 H75 A76 I82T51-Y58 HydrophobicContact CG2-CD2 4.27Å; T51-Y58 HydrophobicContact CG2-CG 4.24Å; T51-L63 HydrophobicContact CG2-CD2 4.45Å; T51-H74 PolarHBondContact N-O 2.79Å; T51-H75 PolarHBondContact OG1-CD2 3.07Å; T51-H75 VanDerWaalsContact OG1-CD2 3.25Å; T51-A76 PolarHBondContact O-N 3.4Å; T51-I82 HydrophobicContact CG2-CB 4.26Å; T51-I82 HydrophobicContact CG2-CD1 3.95Å; T51-I82 HydrophobicContact CG2-CG1 3.96Å
52G86.9Confident87.2Confident6 Ų656.8 Ų56.86%0.06231%0.307CS..  trans-82.6-176.6174.600000113.4R54 R78 G80 L81G52-R54 VanDerWaalsContact C-N 3.3Å; G52-R54 PolarHBondContact O-N 3.11Å; G52-R78 WeakPolarHBondContact CA-O 3.33Å; G52-G80 CarbonylContact C-O 3.56Å; G52-G80 WeakPolarHBondContact CA-O 3.46Å; G52-L81 PolarHBondContact N-O 3Å
53I84.4Confident86.8Confident106 Ų10657.8 Ų57.854%0.54431%0.312SS..SBendtrans-76.6-9.6-174.869.2-176.5000114.6R78I53-R78 WeakPolarHBondContact CG1-O 3.34Å; I53-R78 PolarHBondContact N-O 3.1Å
54R75.1Confident86.5Confident159 Ų15961.6 Ų61.660%0.633%0.332SS*.SBendtrans-88.7127.8179.6-63.3-174.2177.9-178.9-1.1109.1G52 G80 L81G52-R54 VanDerWaalsContact C-N 3.3Å; G52-R54 PolarHBondContact O-N 3.11Å; R54-G80 WeakPolarHBondContact CB-O 3.36Å; R54-G80 PolarHBondContact N-O 3.18Å; R54-L81 VanDerWaalsContact O-CD2 3.28Å; R54-L81 WeakPolarHBondContact O-CD2 3.29Å
55H64.1Low86.2Confident153 Ų15367.9 Ų67.971%0.70835%0.354SS*.SBendtrans86.9161.4-179.5-63.5-96.2000117.3L81H55-L81 HydrophobicContact CB-CD2 3.83Å; H55-L81 WeakPolarHBondContact CD2-CD2 2.93Å
56K59Low85.9Confident186 Ų18668 Ų6881%0.80935%0.354SS*.SBendtrans-53.8160.2172.2-78.4-174.4178.8-177.80111.2Y58K56-Y58 PolarHBondContact O-N 3.27Å
57P67.4Low85.7Confident127 Ų12771.6 Ų71.683%0.82536%0.362SS*.PPolyproline II helixtrans-46.8128.6175.8-25.632.9000110.9
58Y76.1Confident85.6Confident48 Ų4877.4 Ų77.419%0.18839%0.39CS..PPolyproline II helixtrans-56.2141.6172.2-123-103000108.6T51 K56 G60 V62 L63 L81 I82 V173T51-Y58 HydrophobicContact CG2-CD2 4.27Å; T51-Y58 HydrophobicContact CG2-CG 4.24Å; K56-Y58 PolarHBondContact O-N 3.27Å; Y58-G60 PolarHBondContact O-N 3.46Å; Y58-G60 VanDerWaalsContact O-N 3.15Å; Y58-V62 HydrophobicContact CD1-CG1 4.39Å; Y58-L63 HydrophobicContact CD1-CD2 4.32Å; Y58-L63 HydrophobicContact CG-CD2 4.46Å; Y58-L81 HydrophobicContact CE2-CD2 4.42Å; Y58-I82 HydrophobicContact CD1-CD1 3.71Å; Y58-I82 HydrophobicContact CD2-CB 4.11Å; Y58-I82 HydrophobicContact CD2-CD1 4.4Å; Y58-I82 HydrophobicContact CD2-CG2 4.5Å; Y58-I82 HydrophobicContact CE1-CB 4.29Å; Y58-I82 HydrophobicContact CE1-CD1 3.7Å; Y58-I82 HydrophobicContact CE1-CG2 3.94Å; Y58-I82 HydrophobicContact CE2-CB 3.63Å; Y58-I82 HydrophobicContact CE2-CD1 4.39Å; Y58-I82 HydrophobicContact CE2-CG2 3.58Å; Y58-I82 HydrophobicContact CG-CD1 4.09Å; Y58-I82 WeakPolarHBondContact OH-CG2 3.44Å; Y58-V173 PolarHBondContact OH-O 3.32Å
59P83.8Confident85.4Confident78 Ų7880.7 Ų80.751%0.50641%0.407SS..PPolyproline II helixtrans-56.1124.2-173.6-24.833.5000111.5P61 V62 L63P59-P61 VanDerWaalsContact C-N 3.35Å; P59-V62 HydrophobicContact CB-CB 4.45Å; P59-V62 HydrophobicContact CB-CG2 4.04Å; P59-V62 HydrophobicContact CG-CG2 4.41Å; P59-V62 WeakPolarHBondContact O-CB 3.41Å; P59-V62 PolarHBondContact O-N 3.45Å; P59-L63 PolarHBondContact O-N 3.41Å
60G86Confident85.3Confident36 Ų3683.5 Ų83.537%0.37144%0.436SS..Hα-helixtrans-48.1-48.3-178.200000114.1Y58 V62 L63 D64Y58-G60 PolarHBondContact O-N 3.46Å; Y58-G60 VanDerWaalsContact O-N 3.15Å; G60-V62 PolarHBondContact O-N 2.92Å; G60-L63 WeakPolarHBondContact O-CA 3.22Å; G60-L63 WeakPolarHBondContact O-CB 3.25Å; G60-L63 PolarHBondContact O-N 3.25Å; G60-D64 PolarHBondContact O-N 2.86Å
61P89.4Confident85.3Confident104 Ų10483.8 Ų83.868%0.67544%0.438SS*.Hα-helixtrans-59.8-29.1177.9-26.935.7000114.8P59 R65P59-P61 VanDerWaalsContact C-N 3.35Å; P61-R65 PolarHBondContact O-N 2.86Å
62V87.8Confident85.6Confident49 Ų4987 Ų8730%0.29746%0.455SS..Hα-helixtrans-69.9-47.6173.6175.70000109.1Y58 P59 G60 D64 R65 L66Y58-V62 HydrophobicContact CD1-CG1 4.39Å; P59-V62 HydrophobicContact CB-CB 4.45Å; P59-V62 HydrophobicContact CB-CG2 4.04Å; P59-V62 HydrophobicContact CG-CG2 4.41Å; P59-V62 WeakPolarHBondContact O-CB 3.41Å; P59-V62 PolarHBondContact O-N 3.45Å; G60-V62 PolarHBondContact O-N 2.92Å; V62-D64 VanDerWaalsContact C-N 3.29Å; V62-D64 PolarHBondContact O-N 3.25Å; V62-R65 WeakPolarHBondContact O-CB 3.47Å; V62-R65 PolarHBondContact O-N 3.08Å; V62-R65 VanDerWaalsContact O-N 3.16Å; V62-L66 HydrophobicContact CG1-CD1 4.44Å; V62-L66 WeakPolarHBondContact O-CG 3.2Å; V62-L66 PolarHBondContact O-N 3.07Å
63L89.8Confident85.9Confident26 Ų2687.8 Ų87.814%0.13646%0.459CS..Hα-helixtrans-60.1-38.6178.9-59.5-175.9000112.4T51 Y58 P59 G60 L66 R67 V73 I82T51-L63 HydrophobicContact CG2-CD2 4.45Å; Y58-L63 HydrophobicContact CD1-CD2 4.32Å; Y58-L63 HydrophobicContact CG-CD2 4.46Å; P59-L63 PolarHBondContact O-N 3.41Å; G60-L63 WeakPolarHBondContact O-CA 3.22Å; G60-L63 WeakPolarHBondContact O-CB 3.25Å; G60-L63 PolarHBondContact O-N 3.25Å; L63-L66 HydrophobicContact CD2-CD1 4.3Å; L63-L66 PolarHBondContact O-N 2.81Å; L63-R67 WeakPolarHBondContact O-CG 3.26Å; L63-R67 PolarHBondContact O-N 3.35Å; L63-R67 VanDerWaalsContact O-N 3.1Å; L63-V73 HydrophobicContact CB-CG1 4.25Å; L63-V73 HydrophobicContact CD1-CG1 4.24Å; L63-V73 HydrophobicContact CD2-CG1 3.82Å; L63-V73 HydrophobicContact CG-CG1 4.32Å; L63-I82 HydrophobicContact CD2-CD1 4.34Å
64D92.1Very high86.3Confident84 Ų8485.1 Ų85.145%0.44944%0.444SS..Hα-helixtrans-65.9-39.4177-64.4-26.9000111.9G60 V62 L66 R67 L68G60-D64 PolarHBondContact O-N 2.86Å; V62-D64 VanDerWaalsContact C-N 3.29Å; V62-D64 PolarHBondContact O-N 3.25Å; D64-L66 VanDerWaalsContact C-N 3.33Å; D64-L66 PolarHBondContact O-N 3.42Å; D64-R67 WeakPolarHBondContact O-CB 3.18Å; D64-R67 PolarHBondContact O-N 3.43Å; D64-R67 IonicContact OD1-NH1 3.97Å; D64-R67 PolarHBondContact OD1-NH1 3.23Å; D64-L68 WeakPolarHBondContact O-CG 3.37Å; D64-L68 PolarHBondContact O-N 3.04Å
65R93Very high87.1Confident170 Ų17084.4 Ų84.464%0.64245%0.447SS*.Hα-helixtrans-60.4-42.8172.2-174-173.2-60.9-127.1-1.1111.8P61 V62 R67 L68 L69P61-R65 PolarHBondContact O-N 2.86Å; V62-R65 WeakPolarHBondContact O-CB 3.47Å; V62-R65 PolarHBondContact O-N 3.08Å; V62-R65 VanDerWaalsContact O-N 3.16Å; R65-R67 VanDerWaalsContact C-N 3.27Å; R65-R67 PolarHBondContact O-N 3.36Å; R65-L68 PolarHBondContact O-N 2.97Å; R65-L68 VanDerWaalsContact O-N 3.17Å; R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 3.33Å; R65-L69 VanDerWaalsContact O-N 3.1Å
66L93.6Very high88.3Confident1 Ų177.2 Ų77.21%0.00541%0.414CS..Hα-helixtrans-62.2-36.1178.1-60.6178.7000111.8Y49 V62 L63 D64 L69 A71 V73 I82 H171 I172Y49-L66 HydrophobicContact CD1-CD1 4.01Å; Y49-L66 HydrophobicContact CD2-CB 3.75Å; Y49-L66 HydrophobicContact CD2-CD1 3.78Å; Y49-L66 HydrophobicContact CD2-CD2 4.14Å; Y49-L66 HydrophobicContact CD2-CG 4.06Å; Y49-L66 HydrophobicContact CE1-CD1 4.37Å; Y49-L66 HydrophobicContact CE1-CD2 4.22Å; Y49-L66 HydrophobicContact CE2-CB 3.9Å; Y49-L66 HydrophobicContact CE2-CD1 4.17Å; Y49-L66 HydrophobicContact CE2-CD2 3.66Å; Y49-L66 HydrophobicContact CE2-CG 4.08Å; Y49-L66 HydrophobicContact CG-CB 4.48Å; Y49-L66 HydrophobicContact CG-CD1 3.67Å; Y49-L66 HydrophobicContact CG-CG 4.44Å; V62-L66 HydrophobicContact CG1-CD1 4.44Å; V62-L66 WeakPolarHBondContact O-CG 3.2Å; V62-L66 PolarHBondContact O-N 3.07Å; L63-L66 HydrophobicContact CD2-CD1 4.3Å; L63-L66 PolarHBondContact O-N 2.81Å; D64-L66 VanDerWaalsContact C-N 3.33Å; D64-L66 PolarHBondContact O-N 3.42Å; L66-L69 HydrophobicContact CD2-CD1 4.27Å; L66-L69 PolarHBondContact O-N 3.2Å; L66-A71 PolarHBondContact O-N 2.98Å; L66-V73 HydrophobicContact CB-CG2 4.01Å; L66-I82 HydrophobicContact CD1-CD1 4.13Å; L66-H171 HydrophobicContact CD2-CB 3.59Å; L66-I172 HydrophobicContact CD1-CG2 3.92Å; L66-I172 HydrophobicContact CD2-CG2 4.28Å
67R93.6Very high89.7Confident120 Ų12072.6 Ų72.645%0.45340%0.398SS..Hα-helixtrans-65.4-42.3172.9-67.2178.1-176.5109.42.5112.4L63 D64 R65 L69 G70 A71 V73L63-R67 WeakPolarHBondContact O-CG 3.26Å; L63-R67 PolarHBondContact O-N 3.35Å; L63-R67 VanDerWaalsContact O-N 3.1Å; D64-R67 WeakPolarHBondContact O-CB 3.18Å; D64-R67 PolarHBondContact O-N 3.43Å; D64-R67 IonicContact OD1-NH1 3.97Å; D64-R67 PolarHBondContact OD1-NH1 3.23Å; R65-R67 VanDerWaalsContact C-N 3.27Å; R65-R67 PolarHBondContact O-N 3.36Å; R67-L69 PolarHBondContact O-N 3.02Å; R67-G70 PolarHBondContact O-N 2.79Å; R67-A71 WeakPolarHBondContact CA-O 3.29Å; R67-V73 HydrophobicContact CG-CB 4.35Å; R67-V73 HydrophobicContact CG-CG2 3.78Å
68L94.8Very high90.7Very high156 Ų15667.3 Ų67.382%0.81736%0.362SS*.Hα-helixtrans-64.6-25177.2-69.2171.6000113.1D64 R65 G70D64-L68 WeakPolarHBondContact O-CG 3.37Å; D64-L68 PolarHBondContact O-N 3.04Å; R65-L68 PolarHBondContact O-N 2.97Å; R65-L68 VanDerWaalsContact O-N 3.17Å; L68-G70 PolarHBondContact O-N 2.89Å
69L93.8Very high91.2Very high70 Ų7065.8 Ų65.837%0.36636%0.361SS..THydrogen-bonded Turntrans-73-5.1171.4-67.1171.2000113.4R65 L66 R67 W168 H171R65-L69 WeakPolarHBondContact O-CG 3.49Å; R65-L69 PolarHBondContact O-N 3.33Å; R65-L69 VanDerWaalsContact O-N 3.1Å; L66-L69 HydrophobicContact CD2-CD1 4.27Å; L66-L69 PolarHBondContact O-N 3.2Å; R67-L69 PolarHBondContact O-N 3.02Å; L69-W168 HydrophobicContact CB-CZ3 4.07Å; L69-W168 WeakPolarHBondContact O-CH2 3.33Å; L69-H171 HydrophobicContact CD1-CB 4.22Å
70G94.5Very high91.2Very high60 Ų6063.1 Ų63.162%0.61935%0.348SS*.THydrogen-bonded Turntrans91.810.4-179.700000114.6R67 L68R67-G70 PolarHBondContact O-N 2.79Å; L68-G70 PolarHBondContact O-N 2.89Å
71A95.8Very high91.2Very high5 Ų562.7 Ų62.74%0.04134%0.336CS..  trans-95.1144.9174.800000112.2P47 Y49 L66 R67 W168P47-A71 HydrophobicContact CB-CB 4.14Å; P47-A71 WeakPolarHBondContact O-CA 3.32Å; Y49-A71 HydrophobicContact CD2-CB 3.59Å; Y49-A71 HydrophobicContact CE2-CB 3.6Å; L66-A71 PolarHBondContact O-N 2.98Å; R67-A71 WeakPolarHBondContact CA-O 3.29Å; A71-W168 HydrophobicContact CB-CE3 4.41Å; A71-W168 HydrophobicContact CB-CH2 4.47Å; A71-W168 HydrophobicContact CB-CZ3 3.79Å
72N95.8Very high91.3Very high83 Ų8357.8 Ų57.844%0.44431%0.305SS..EExtended strand (participates in β ladder)trans-70155.7165.9-71.9-60.9000110.6P47 V48 Y49P47-N72 PolarHBondContact O-N 3.12Å; V48-N72 CarbonylContact C-O 3.57Å; V48-N72 VanDerWaalsContact CA-O 3.31Å; V48-N72 WeakPolarHBondContact CA-O 3.28Å; V48-N72 HydrophobicContact CB-CB 4.18Å; V48-N72 HydrophobicContact CG2-CB 3.91Å; Y49-N72 PolarHBondContact N-O 3.39Å
73V94.4Very high91.6Very high22 Ų2256.1 Ų56.113%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-129.5121.6173.9176.50000109.1Y49 L63 L66 R67Y49-V73 WeakPolarHBondContact O-CA 3.48Å; L63-V73 HydrophobicContact CB-CG1 4.25Å; L63-V73 HydrophobicContact CD1-CG1 4.24Å; L63-V73 HydrophobicContact CD2-CG1 3.82Å; L63-V73 HydrophobicContact CG-CG1 4.32Å; L66-V73 HydrophobicContact CB-CG2 4.01Å; R67-V73 HydrophobicContact CG-CB 4.35Å; R67-V73 HydrophobicContact CG-CG2 3.78Å
74H93Very high91.9Very high51 Ų5154.9 Ų54.924%0.23629%0.288CS..EExtended strand (participates in β ladder)trans-128.4142.7-179.5-70.9-90.7000112.4Y18 Y49 T50 T51Y18-H74 HydrophobicContact CD1-CB 3.74Å; Y18-H74 AromaticContact CD1-CD2 3.84Å; Y18-H74 AromaticContact CD1-CG 3.69Å; Y18-H74 HydrophobicContact CE1-CB 3.84Å; Y49-H74 PolarHBondContact O-N 3.47Å; T50-H74 CarbonylContact C-O 3.57Å; T50-H74 VanDerWaalsContact CA-O 3.25Å; T50-H74 WeakPolarHBondContact CA-O 3.36Å; T51-H74 PolarHBondContact N-O 2.79Å
75H91.2Very high92.2Very high144 Ų14451.4 Ų51.467%0.66727%0.269SS*.EExtended strand (participates in β ladder)trans-89.5120.8166-173.4-86.7000109.4T51T51-H75 PolarHBondContact OG1-CD2 3.07Å; T51-H75 VanDerWaalsContact OG1-CD2 3.25Å
76A88.8Confident92.5Very high2 Ų243.3 Ų43.32%0.01724%0.239CC..  trans-111.5140.8-173.300000111.4Y18 T51 R78Y18-A76 HydrophobicContact CE1-CB 4.49Å; Y18-A76 VanDerWaalsContact OH-CB 3.3Å; Y18-A76 WeakPolarHBondContact OH-CB 3.45Å; T51-A76 PolarHBondContact O-N 3.4Å; A76-R78 HydrophobicContact CB-CG 3.91Å; A76-R78 PolarHBondContact O-N 3.19Å
77N88.9Confident92.7Very high88 Ų8846.4 Ų46.447%0.47126%0.259SS..SBendtrans-80.139176.966.5-18.5000113.1H148 H156N77-H148 WeakPolarHBondContact O-CB 3.44Å; N77-H148 PolarHBondContact O-CD2 3.23Å; N77-H156 PolarHBondContact OD1-NE2 3.26Å
78R89.4Confident93Very high16 Ų1641 Ų416%0.0624%0.24CC..SBendtrans-110.5157.8178.662164.6-178.667.64.4112.1T50 G52 I53 A76 L81 T83 H156T50-R78 PolarHBondContact O-NH2 3.04Å; T50-R78 PolarHBondContact OG1-NE 3.46Å; T50-R78 PolarHBondContact OG1-NH2 2.99Å; G52-R78 WeakPolarHBondContact CA-O 3.33Å; I53-R78 WeakPolarHBondContact CG1-O 3.34Å; I53-R78 PolarHBondContact N-O 3.1Å; A76-R78 HydrophobicContact CB-CG 3.91Å; A76-R78 PolarHBondContact O-N 3.19Å; R78-L81 PolarHBondContact NH1-O 3.23Å; R78-L81 PolarHBondContact NH2-O 2.86Å; R78-T83 VanDerWaalsContact NH2-CG2 3.29Å; R78-H156 HydrophobicContact CB-CB 4.17Å
79G85.6Confident93.2Very high17 Ų1733.6 Ų33.618%0.17520%0.201CC..SBendtrans-57.8160.5167.200000113I147G79-I147 PolarHBondContact N-O 3.17Å
80G84.6Confident93.4Very high22 Ų2230.3 Ų30.323%0.22718%0.184CC..SBendtrans89.7-172.2177.300000114.1G52 R54G52-G80 CarbonylContact C-O 3.56Å; G52-G80 WeakPolarHBondContact CA-O 3.46Å; R54-G80 WeakPolarHBondContact CB-O 3.36Å; R54-G80 PolarHBondContact N-O 3.18Å
81L86.6Confident93.6Very high26 Ų2627.5 Ų27.514%0.13616%0.155CC..SBendtrans-103-161.1-175-91.1164.6000110.5G52 R54 H55 Y58 R78 C175G52-L81 PolarHBondContact N-O 3Å; R54-L81 VanDerWaalsContact O-CD2 3.28Å; R54-L81 WeakPolarHBondContact O-CD2 3.29Å; H55-L81 HydrophobicContact CB-CD2 3.83Å; H55-L81 WeakPolarHBondContact CD2-CD2 2.93Å; Y58-L81 HydrophobicContact CE2-CD2 4.42Å; R78-L81 PolarHBondContact NH1-O 3.23Å; R78-L81 PolarHBondContact NH2-O 2.86Å; L81-C175 VanDerWaalsContact CD1-O 3.3Å; L81-C175 WeakPolarHBondContact CD1-O 3.23Å
82I91.2Very high93.8Very high2 Ų227.3 Ų27.31%0.0115%0.153CC..  trans-60145.7170.2-158.2163.8000111.7T50 T51 Y58 L63 L66 I172T50-I82 CarbonylContact O-C 3.59Å; T50-I82 VanDerWaalsContact O-CA 3.23Å; T50-I82 WeakPolarHBondContact O-CA 3.41Å; T51-I82 HydrophobicContact CG2-CB 4.26Å; T51-I82 HydrophobicContact CG2-CD1 3.95Å; T51-I82 HydrophobicContact CG2-CG1 3.96Å; Y58-I82 HydrophobicContact CD1-CD1 3.71Å; Y58-I82 HydrophobicContact CD2-CB 4.11Å; Y58-I82 HydrophobicContact CD2-CD1 4.4Å; Y58-I82 HydrophobicContact CD2-CG2 4.5Å; Y58-I82 HydrophobicContact CE1-CB 4.29Å; Y58-I82 HydrophobicContact CE1-CD1 3.7Å; Y58-I82 HydrophobicContact CE1-CG2 3.94Å; Y58-I82 HydrophobicContact CE2-CB 3.63Å; Y58-I82 HydrophobicContact CE2-CD1 4.39Å; Y58-I82 HydrophobicContact CE2-CG2 3.58Å; Y58-I82 HydrophobicContact CG-CD1 4.09Å; Y58-I82 WeakPolarHBondContact OH-CG2 3.44Å; L63-I82 HydrophobicContact CD2-CD1 4.34Å; L66-I82 HydrophobicContact CD1-CD1 4.13Å; I82-I172 HydrophobicContact CD1-CG2 3.8Å; I82-I172 HydrophobicContact CG1-CG2 4.35Å; I82-I172 HydrophobicContact CG2-CB 4.04Å; I82-I172 HydrophobicContact CG2-CD1 4.09Å; I82-I172 HydrophobicContact CG2-CG2 4.35Å
83T93.9Very high93.9Very high13 Ų1323.7 Ų23.78%0.0813%0.133CC..EExtended strand (participates in β ladder)trans-148.4167.2167.4-161.40000109.7Y49 T50 R78 H85Y49-T83 WeakPolarHBondContact CA-O 3.18Å; T50-T83 PolarHBondContact N-O 3.34Å; T50-T83 PolarHBondContact O-N 2.88Å; R78-T83 VanDerWaalsContact NH2-CG2 3.29Å; T83-H85 VanDerWaalsContact CG2-NE2 3.33Å; T83-H85 WeakPolarHBondContact CG2-NE2 3.22Å
84F96.8Very high94.1Very high1 Ų122.6 Ų22.60%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-106.3146.8170.7173.1-103000111.4P47 V48 Y49 Q89 T164 W168 F169 I172P47-F84 HydrophobicContact CB-CE2 4.04Å; P47-F84 HydrophobicContact CB-CZ 4.33Å; V48-F84 CarbonylContact O-C 3.53Å; V48-F84 WeakPolarHBondContact O-CA 3.41Å; V48-F84 WeakPolarHBondContact O-CD2 3.35Å; Y49-F84 HydrophobicContact CD1-CB 3.94Å; Y49-F84 HydrophobicContact CD1-CD2 4.18Å; Y49-F84 HydrophobicContact CD2-CD2 4.39Å; Y49-F84 HydrophobicContact CE1-CB 3.76Å; Y49-F84 AromaticContact CE1-CD2 3.87Å; Y49-F84 HydrophobicContact CE1-CD2 3.87Å; Y49-F84 HydrophobicContact CE1-CG 4.21Å; Y49-F84 HydrophobicContact CE2-CD2 4.09Å; Y49-F84 HydrophobicContact CG-CD2 4.45Å; Y49-F84 AromaticContact CZ-CD2 3.84Å; F84-Q89 PolarHBondContact O-NE2 2.82Å; F84-Q89 PolarHBondContact O-OE1 2.99Å; F84-T164 HydrophobicContact CE1-CG2 4.16Å; F84-W168 HydrophobicContact CB-CB 4.48Å; F84-W168 HydrophobicContact CD1-CB 3.53Å; F84-W168 HydrophobicContact CD1-CG 4.11Å; F84-W168 HydrophobicContact CD2-CB 3.69Å; F84-W168 HydrophobicContact CD2-CD2 4.24Å; F84-W168 HydrophobicContact CD2-CE3 4.24Å; F84-W168 HydrophobicContact CD2-CG 4.05Å; F84-W168 HydrophobicContact CE1-CB 3.49Å; F84-W168 VanDerWaalsContact CE1-CB 3.49Å; F84-W168 AromaticContact CE1-CD1 3.68Å; F84-W168 HydrophobicContact CE1-CD2 4.35Å; F84-W168 AromaticContact CE1-CG 3.54Å; F84-W168 HydrophobicContact CE1-CG 3.54Å; F84-W168 HydrophobicContact CE2-CB 3.65Å; F84-W168 AromaticContact CE2-CD2 3.45Å; F84-W168 HydrophobicContact CE2-CD2 3.45Å; F84-W168 VanDerWaalsContact CE2-CD2 3.45Å; F84-W168 AromaticContact CE2-CE3 3.65Å; F84-W168 HydrophobicContact CE2-CE3 3.65Å; F84-W168 AromaticContact CE2-CG 3.46Å; F84-W168 HydrophobicContact CE2-CG 3.46Å; F84-W168 VanDerWaalsContact CE2-CG 3.46Å; F84-W168 HydrophobicContact CE2-CZ3 4.5Å; F84-W168 HydrophobicContact CG-CB 3.62Å; F84-W168 HydrophobicContact CG-CG 4.32Å; F84-W168 HydrophobicContact CZ-CB 3.55Å; F84-W168 AromaticContact CZ-CD1 3.44Å; F84-W168 VanDerWaalsContact CZ-CD1 3.44Å; F84-W168 AromaticContact CZ-CD2 3.52Å; F84-W168 HydrophobicContact CZ-CD2 3.52Å; F84-W168 AromaticContact CZ-CE2 3.95Å; F84-W168 HydrophobicContact CZ-CE3 4.2Å; F84-W168 AromaticContact CZ-CG 3.17Å; F84-W168 HydrophobicContact CZ-CG 3.17Å; F84-W168 AromaticContact CZ-NE1 3.9Å; F84-F169 HydrophobicContact CB-CD1 4.3Å; F84-F169 HydrophobicContact CB-CE1 4Å; F84-F169 HydrophobicContact CB-CE2 4.36Å; F84-F169 HydrophobicContact CB-CZ 4.04Å; F84-F169 HydrophobicContact CD1-CD2 4.4Å; F84-F169 AromaticContact CD1-CE2 3.91Å; F84-F169 HydrophobicContact CD1-CE2 3.91Å; F84-F169 HydrophobicContact CD1-CZ 4.2Å; F84-I172 HydrophobicContact CB-CD1 4.5Å
85H98.3Very high94.4Very high11 Ų1120.2 Ų20.25%0.05112%0.116CC..EExtended strand (participates in β ladder)trans-131.5145.1163.5-48.9-68.6000110.3H45 P47 V48 T50 T83 Q89H45-H85 HydrophobicContact CB-CB 4.06Å; P47-H85 WeakPolarHBondContact CA-O 3.38Å; V48-H85 HydrophobicContact CG1-CB 3.73Å; V48-H85 PolarHBondContact N-O 3.1Å; V48-H85 PolarHBondContact O-N 2.95Å; T50-H85 PolarHBondContact OG1-NE2 3.09Å; T83-H85 VanDerWaalsContact CG2-NE2 3.33Å; T83-H85 WeakPolarHBondContact CG2-NE2 3.22Å; H85-Q89 VanDerWaalsContact CA-OE1 3.23Å; H85-Q89 PolarHBondContact ND1-OE1 3.21Å
86G98.3Very high94.7Very high0 Ų013.3 Ų13.30%08%0.084CC..  trans-167179.9-177.700000112.4H45 Q89H45-G86 CarbonylContact O-C 3.59Å; H45-G86 WeakPolarHBondContact O-CA 3.2Å; G86-Q89 WeakPolarHBondContact O-CB 3.31Å; G86-Q89 PolarHBondContact O-N 3.01Å
87P98.6Very high95.2Very high65 Ų6515.1 Ų15.142%0.4229%0.093SC..THydrogen-bonded Turntrans-54.3144.3171.3-25.235.8000111.9L15 H45 Q89L15-P87 HydrophobicContact CD1-CG 4.45Å; H45-P87 VanDerWaalsContact O-CD 3.29Å; H45-P87 WeakPolarHBondContact O-CD 3.31Å; P87-Q89 VanDerWaalsContact C-N 3.25Å; P87-Q89 PolarHBondContact O-N 3.11Å
88G98.7Very high95.6Very high6 Ų610.9 Ų10.96%0.0627%0.071CC..THydrogen-bonded Turntrans77.25-17600000114.9C162 N163 T164G88-C162 WeakPolarHBondContact O-CA 3.4Å; G88-C162 WeakPolarHBondContact O-CB 3.33Å; G88-C162 PolarHBondContact O-N 3Å; G88-C162 VanDerWaalsContact O-N 3.1Å; G88-N163 WeakPolarHBondContact CA-OD1 3.39Å; G88-N163 PolarHBondContact O-N 3.45Å; G88-N163 PolarHBondContact O-OD1 3.43Å; G88-T164 VanDerWaalsContact C-OG1 3.25Å; G88-T164 PolarHBondContact O-N 2.73Å; G88-T164 PolarHBondContact O-OG1 3.37Å
89Q98.9Very high95.8Very high1 Ų112 Ų121%0.0059%0.087CC..EExtended strand (participates in β ladder)trans-107.2120.8171.1-164.7-174.771.300110F84 H85 G86 P87 V91 A159 L160 N161 T164F84-Q89 PolarHBondContact O-NE2 2.82Å; F84-Q89 PolarHBondContact O-OE1 2.99Å; H85-Q89 VanDerWaalsContact CA-OE1 3.23Å; H85-Q89 PolarHBondContact ND1-OE1 3.21Å; G86-Q89 WeakPolarHBondContact O-CB 3.31Å; G86-Q89 PolarHBondContact O-N 3.01Å; P87-Q89 VanDerWaalsContact C-N 3.25Å; P87-Q89 PolarHBondContact O-N 3.11Å; Q89-V91 PolarHBondContact O-N 3.48Å; Q89-A159 HydrophobicContact CG-CB 4.31Å; Q89-L160 CarbonylContact C-O 3.25Å; Q89-L160 WeakPolarHBondContact CA-O 3.46Å; Q89-L160 VanDerWaalsContact CG-O 3.28Å; Q89-L160 WeakPolarHBondContact CG-O 3.37Å; Q89-N161 PolarHBondContact NE2-OD1 2.89Å; Q89-T164 WeakPolarHBondContact CA-OG1 3.31Å; Q89-T164 HydrophobicContact CB-CG2 3.97Å; Q89-T164 WeakPolarHBondContact CB-OG1 3.26Å; Q89-T164 PolarHBondContact N-OG1 3.38Å
90L98.9Very high96.3Very high1 Ų113.2 Ų13.21%0.0059%0.093CC..EExtended strand (participates in β ladder)trans-77.6108.6174.3172.552.8000109.2A159 L160 V195 A198 V199 L202L90-A159 CarbonylContact O-C 3.52Å; L90-A159 WeakPolarHBondContact O-CA 3.35Å; L90-L160 HydrophobicContact CB-CB 4.37Å; L90-L160 PolarHBondContact N-O 3.46Å; L90-L160 PolarHBondContact O-N 2.92Å; L90-V195 HydrophobicContact CB-CG1 3.99Å; L90-V195 HydrophobicContact CB-CG2 4.12Å; L90-V195 HydrophobicContact CD1-CG1 3.86Å; L90-V195 HydrophobicContact CG-CG1 4.37Å; L90-A198 HydrophobicContact CD2-CB 4.12Å; L90-V199 HydrophobicContact CD1-CG2 3.84Å; L90-V199 HydrophobicContact CD2-CG2 3.86Å; L90-L202 HydrophobicContact CD2-CB 4.32Å; L90-L202 HydrophobicContact CD2-CD2 3.82Å; L90-L202 HydrophobicContact CG-CD2 4.32Å
91V98.9Very high96.8Very high1 Ų114.3 Ų14.31%0.0069%0.091CC..EExtended strand (participates in β ladder)trans-96.7128171.8-177.70000108.7L42 C43 Q89 Y93 L158 A159L42-V91 WeakPolarHBondContact CA-O 3.35Å; C43-V91 PolarHBondContact N-O 3.27Å; C43-V91 PolarHBondContact O-N 2.98Å; Q89-V91 PolarHBondContact O-N 3.48Å; V91-Y93 HydrophobicContact CG1-CD1 4.02Å; V91-Y93 HydrophobicContact CG1-CD2 4.37Å; V91-Y93 HydrophobicContact CG1-CE1 3.42Å; V91-Y93 VanDerWaalsContact CG1-CE1 3.42Å; V91-Y93 HydrophobicContact CG1-CE2 3.77Å; V91-Y93 HydrophobicContact CG1-CG 4.5Å; V91-Y93 WeakPolarHBondContact CG1-OH 3.26Å; V91-L158 WeakPolarHBondContact CA-O 3.38Å; V91-A159 HydrophobicContact CG2-CB 4.21Å
92C98.8Very high97.3Very high1 Ų118.6 Ų18.61%0.00711%0.109CC..EExtended strand (participates in β ladder)trans-124.3125.7175.31740000109L41 L42 P94 G157 L158 L202L41-C92 CarbonylContact O-C 3.54Å; L41-C92 WeakPolarHBondContact O-CA 3.32Å; L42-C92 HydrophobicContact CD2-CB 3.7Å; L42-C92 VanDerWaalsContact CD2-SG 3.56Å; C92-P94 WeakPolarHBondContact O-CD 3.47Å; C92-G157 WeakPolarHBondContact O-CA 3.39Å; C92-L158 HydrophobicContact CB-CD1 3.69Å; C92-L158 HydrophobicContact CB-CG 3.91Å; C92-L158 PolarHBondContact N-O 3.43Å; C92-L158 PolarHBondContact O-N 2.96Å; C92-L202 HydrophobicContact CB-CD2 3.83Å
93Y98.8Very high97.5Very high7 Ų725.1 Ų25.13%0.02714%0.137CC..EExtended strand (participates in β ladder)trans-110.494.3173.7-53.4-52.5000110.3Q25 L41 H45 V91 V95 H156Q25-Y93 HydrophobicContact CG-CD2 3.85Å; Q25-Y93 HydrophobicContact CG-CG 4Å; L41-Y93 HydrophobicContact CB-CD2 4.35Å; L41-Y93 PolarHBondContact N-O 2.78Å; L41-Y93 PolarHBondContact O-N 2.84Å; H45-Y93 AromaticContact NE2-CE2 3.76Å; H45-Y93 AromaticContact NE2-CZ 3.63Å; H45-Y93 PolarHBondContact NE2-OH 2.88Å; V91-Y93 HydrophobicContact CG1-CD1 4.02Å; V91-Y93 HydrophobicContact CG1-CD2 4.37Å; V91-Y93 HydrophobicContact CG1-CE1 3.42Å; V91-Y93 VanDerWaalsContact CG1-CE1 3.42Å; V91-Y93 HydrophobicContact CG1-CE2 3.77Å; V91-Y93 HydrophobicContact CG1-CG 4.5Å; V91-Y93 WeakPolarHBondContact CG1-OH 3.26Å; Y93-V95 PolarHBondContact O-N 3.43Å; Y93-H156 WeakPolarHBondContact CA-O 3.47Å; Y93-H156 VanDerWaalsContact CD1-C 3.42Å
94P98.6Very high97.7Very high0 Ų026.4 Ų26.40%015%0.146CC..EExtended strand (participates in β ladder)trans-73.1106.9170-11.126.9000109.6T39 L40 C92 L96 Y108 L112 T154 F206T39-P94 CarbonylContact O-C 3.55Å; T39-P94 WeakPolarHBondContact O-CA 3.32Å; L40-P94 HydrophobicContact CD2-CB 3.52Å; L40-P94 HydrophobicContact CD2-CG 3.88Å; C92-P94 WeakPolarHBondContact O-CD 3.47Å; P94-L96 HydrophobicContact CB-CD1 3.9Å; P94-L96 HydrophobicContact CB-CD2 4.34Å; P94-L96 HydrophobicContact CB-CG 3.86Å; P94-Y108 HydrophobicContact CB-CE2 4.41Å; P94-Y108 WeakPolarHBondContact CB-OH 3.35Å; P94-Y108 WeakPolarHBondContact CG-OH 3.4Å; P94-Y108 PolarHBondContact O-OH 2.88Å; P94-L112 HydrophobicContact CG-CD2 3.86Å; P94-T154 PolarHBondContact O-OG1 2.95Å; P94-F206 HydrophobicContact CB-CE2 4.18Å; P94-F206 HydrophobicContact CB-CZ 4.39Å; P94-F206 HydrophobicContact CG-CE2 4.16Å
95V98.6Very high97.6Very high0 Ų029.2 Ų29.20%016%0.164CC..EExtended strand (participates in β ladder)trans-93.794.2171.5-176.60000107.5H38 T39 L41 Y93 V153 T154H38-V95 WeakPolarHBondContact CA-O 3.4Å; T39-V95 PolarHBondContact N-O 2.89Å; T39-V95 PolarHBondContact O-N 3.4Å; L41-V95 HydrophobicContact CD1-CG2 4.35Å; Y93-V95 PolarHBondContact O-N 3.43Å; V95-V153 HydrophobicContact CG1-CG1 4.28Å; V95-T154 WeakPolarHBondContact CA-O 3.29Å
96L98.5Very high97.6Very high0 Ų039.4 Ų39.40%020%0.202CC..  trans-126.8141.6-170.8-50.1176.7000110.2V8 H38 P94 L98 F101 Y108 V153 T154 F206 F210V8-L96 HydrophobicContact CG1-CD2 4.08Å; V8-L96 HydrophobicContact CG2-CD2 4.4Å; H38-L96 HydrophobicContact CB-CD2 3.81Å; P94-L96 HydrophobicContact CB-CD1 3.9Å; P94-L96 HydrophobicContact CB-CD2 4.34Å; P94-L96 HydrophobicContact CB-CG 3.86Å; L96-L98 PolarHBondContact O-N 2.97Å; L96-F101 HydrophobicContact CB-CE2 4.2Å; L96-F101 HydrophobicContact CD1-CE2 4.41Å; L96-F101 HydrophobicContact CD2-CE2 4.38Å; L96-F101 HydrophobicContact CD2-CZ 4.5Å; L96-Y108 HydrophobicContact CD1-CD2 4.43Å; L96-Y108 HydrophobicContact CD1-CE2 3.81Å; L96-V153 CarbonylContact O-C 3.07Å; L96-V153 VanDerWaalsContact O-CA 3.28Å; L96-V153 WeakPolarHBondContact O-CA 3.32Å; L96-T154 PolarHBondContact N-OG1 2.99Å; L96-T154 PolarHBondContact O-N 3.45Å; L96-T154 PolarHBondContact O-OG1 2.83Å; L96-F206 HydrophobicContact CD1-CZ 3.93Å; L96-F206 HydrophobicContact CD2-CZ 4.45Å; L96-F210 HydrophobicContact CD1-CD1 4.15Å; L96-F210 HydrophobicContact CD1-CE1 3.88Å
97N97.9Very high97.6Very high39 Ų3942.4 Ų42.421%0.20921%0.213CC..BIsolated β-bridgetrans-86.1105.8161.8-177.1-20.6000109.6H32 H38 G99 S100 Y152 V153H32-N97 PolarHBondContact CE1-N 3.2Å; H38-N97 PolarHBondContact CE1-N 3.31Å; H38-N97 PolarHBondContact CE1-O 2.86Å; H38-N97 PolarHBondContact ND1-N 2.83Å; N97-G99 PolarHBondContact O-N 3.49Å; N97-G99 WeakPolarHBondContact OD1-CA 3.28Å; N97-G99 PolarHBondContact OD1-N 3.03Å; N97-S100 PolarHBondContact O-N 3.36Å; N97-Y152 CarbonylContact C-O 3.5Å; N97-Y152 WeakPolarHBondContact CA-O 3.46Å; N97-V153 HydrophobicContact CB-CG2 4.31Å
98L97.4Very high97.5Very high0 Ų039.3 Ų39.30%019%0.193CC..G310 helixtrans-60.2-17.3-179.5-60.9-174.3000113.3L96 S100 F101 K102 K103 V105 Y108 Y152 T154L96-L98 PolarHBondContact O-N 2.97Å; L98-S100 PolarHBondContact O-N 3.19Å; L98-F101 CarbonylContact O-C 3.07Å; L98-F101 PolarHBondContact O-N 3.02Å; L98-F101 VanDerWaalsContact O-N 3.11Å; L98-K102 CarbonylContact O-C 3.38Å; L98-K102 PolarHBondContact O-N 3.07Å; L98-K103 PolarHBondContact O-N 3.11Å; L98-V105 HydrophobicContact CD1-CG2 4.37Å; L98-Y108 HydrophobicContact CD1-CG 4.48Å; L98-Y108 HydrophobicContact CD2-CD2 3.86Å; L98-Y108 HydrophobicContact CD2-CG 3.93Å; L98-Y152 PolarHBondContact N-O 3.37Å; L98-T154 HydrophobicContact CD1-CG2 3.99Å; L98-T154 HydrophobicContact CD2-CG2 3.88Å; L98-T154 HydrophobicContact CG-CG2 3.83Å
99G95.1Very high97.5Very high38 Ų3840.2 Ų40.239%0.39220%0.197SC..G310 helixtrans-61.9-25.5170.800000114.2N97 F101N97-G99 PolarHBondContact O-N 3.49Å; N97-G99 WeakPolarHBondContact OD1-CA 3.28Å; N97-G99 PolarHBondContact OD1-N 3.03Å; G99-F101 VanDerWaalsContact C-N 3.33Å
100S95.4Very high97.5Very high44 Ų4441 Ų4131%0.30821%0.206SC..G310 helixtrans-85.8-5.3174.4-55.70000113.7P6 H38 N97 L98P6-S100 WeakPolarHBondContact CG-O 3.47Å; H38-S100 VanDerWaalsContact CE1-CB 3.48Å; H38-S100 WeakPolarHBondContact CE1-CB 3.42Å; H38-S100 PolarHBondContact CE1-OG 3.29Å; H38-S100 VanDerWaalsContact NE2-CB 3.31Å; H38-S100 WeakPolarHBondContact NE2-CB 3.28Å; H38-S100 PolarHBondContact NE2-OG 3.26Å; N97-S100 PolarHBondContact O-N 3.36Å; L98-S100 PolarHBondContact O-N 3.19Å
101F95.7Very high97.5Very high44 Ų4441.7 Ų41.719%0.19321%0.209CC..SBendtrans-124-91.9-179-61.4-92.4000109.4P6 V8 H38 L96 L98 G99 W107 F210 C212P6-F101 HydrophobicContact CB-CE1 3.8Å; P6-F101 HydrophobicContact CB-CE2 4.2Å; P6-F101 HydrophobicContact CB-CZ 3.58Å; P6-F101 HydrophobicContact CG-CD1 4.03Å; P6-F101 HydrophobicContact CG-CE1 3.7Å; P6-F101 HydrophobicContact CG-CE2 4.42Å; P6-F101 HydrophobicContact CG-CZ 3.91Å; V8-F101 HydrophobicContact CG2-CZ 4.08Å; H38-F101 AromaticContact CE1-CE2 3.64Å; H38-F101 AromaticContact ND1-CE2 3.69Å; H38-F101 AromaticContact NE2-CE2 3.97Å; L96-F101 HydrophobicContact CB-CE2 4.2Å; L96-F101 HydrophobicContact CD1-CE2 4.41Å; L96-F101 HydrophobicContact CD2-CE2 4.38Å; L96-F101 HydrophobicContact CD2-CZ 4.5Å; L98-F101 CarbonylContact O-C 3.07Å; L98-F101 PolarHBondContact O-N 3.02Å; L98-F101 VanDerWaalsContact O-N 3.11Å; G99-F101 VanDerWaalsContact C-N 3.33Å; F101-W107 HydrophobicContact CB-CH2 3.71Å; F101-W107 HydrophobicContact CB-CZ3 3.83Å; F101-W107 HydrophobicContact CD1-CH2 4.46Å; F101-W107 HydrophobicContact CG-CH2 4.41Å; F101-F210 HydrophobicContact CD1-CB 4.48Å; F101-F210 HydrophobicContact CD1-CD1 4.2Å; F101-F210 HydrophobicContact CE1-CB 4.12Å; F101-F210 HydrophobicContact CE1-CD1 4.25Å; F101-C212 HydrophobicContact CE1-CB 4.13Å
102K96.1Very high97.5Very high116 Ų11641.7 Ų41.750%0.50421%0.209SC..  trans-142.8125.6172.3-167.8-168.8-17479.70108.6L98 S104 W107L98-K102 CarbonylContact O-C 3.38Å; L98-K102 PolarHBondContact O-N 3.07Å; K102-S104 PolarHBondContact O-N 2.87Å; K102-W107 HydrophobicContact CB-CD2 3.73Å; K102-W107 HydrophobicContact CB-CE3 3.73Å; K102-W107 HydrophobicContact CB-CG 4.26Å; K102-W107 HydrophobicContact CB-CH2 4.42Å; K102-W107 HydrophobicContact CB-CZ2 4.38Å; K102-W107 HydrophobicContact CB-CZ3 4.1Å; K102-W107 HydrophobicContact CD-CB 3.76Å; K102-W107 HydrophobicContact CD-CD2 3.79Å; K102-W107 HydrophobicContact CD-CG 3.39Å; K102-W107 HydrophobicContact CG-CD2 4.38Å; K102-W107 HydrophobicContact CG-CG 4.39Å
103K95.5Very high97.5Very high140 Ų14042.9 Ų42.961%0.60921%0.214SC*.SBendtrans-69.962.8178.6-65.8-176.7179.8177.30112.6L98 Y152L98-K103 PolarHBondContact O-N 3.11Å; K103-Y152 HydrophobicContact CB-CD1 4.11Å; K103-Y152 HydrophobicContact CB-CE1 3.89Å; K103-Y152 HydrophobicContact CD-CE2 4.48Å; K103-Y152 HydrophobicContact CG-CD1 4.3Å; K103-Y152 HydrophobicContact CG-CE1 4.37Å
104S97.1Very high97.5Very high39 Ų3947.5 Ų47.527%0.27324%0.235SC..  trans-150.7116.2179.9175.50000110.7K102 R106 W107 Y108K102-S104 PolarHBondContact O-N 2.87Å; S104-R106 VanDerWaalsContact C-N 3.29Å; S104-R106 PolarHBondContact O-N 3.37Å; S104-W107 PolarHBondContact O-N 3.23Å; S104-W107 PolarHBondContact OG-N 3.26Å; S104-Y108 PolarHBondContact O-N 2.92Å
105V96.5Very high97.5Very high61 Ų6147.5 Ų47.537%0.3724%0.235SC..Hα-helixtrans-63.9-36.7175.8176.20000111.3L98 Y108 V109 I147 C149L98-V105 HydrophobicContact CD1-CG2 4.37Å; V105-Y108 WeakPolarHBondContact O-CB 3.29Å; V105-Y108 PolarHBondContact O-N 2.88Å; V105-V109 HydrophobicContact CG1-CG2 4.45Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 2.71Å; V105-I147 HydrophobicContact CG1-CD1 3.65Å; V105-C149 HydrophobicContact CG2-CB 3.94Å
106R96.9Very high97.5Very high224 Ų22447.5 Ų47.585%0.84524%0.235SC*.Hα-helixtrans-63.7-44.5177.4-168.6-179.1-152171.96.7111.7S104 Y108 G110S104-R106 VanDerWaalsContact C-N 3.29Å; S104-R106 PolarHBondContact O-N 3.37Å; R106-Y108 VanDerWaalsContact C-N 3.34Å; R106-G110 PolarHBondContact O-N 2.91Å
107W97.9Very high97.6Very high64 Ų6449.6 Ų49.624%0.24225%0.245CC..Hα-helixtrans-60.9-45.8173.5171.185.2000110.9F101 K102 S104 V109 G110 Q111 F210F101-W107 HydrophobicContact CB-CH2 3.71Å; F101-W107 HydrophobicContact CB-CZ3 3.83Å; F101-W107 HydrophobicContact CD1-CH2 4.46Å; F101-W107 HydrophobicContact CG-CH2 4.41Å; K102-W107 HydrophobicContact CB-CD2 3.73Å; K102-W107 HydrophobicContact CB-CE3 3.73Å; K102-W107 HydrophobicContact CB-CG 4.26Å; K102-W107 HydrophobicContact CB-CH2 4.42Å; K102-W107 HydrophobicContact CB-CZ2 4.38Å; K102-W107 HydrophobicContact CB-CZ3 4.1Å; K102-W107 HydrophobicContact CD-CB 3.76Å; K102-W107 HydrophobicContact CD-CD2 3.79Å; K102-W107 HydrophobicContact CD-CG 3.39Å; K102-W107 HydrophobicContact CG-CD2 4.38Å; K102-W107 HydrophobicContact CG-CG 4.39Å; S104-W107 PolarHBondContact O-N 3.23Å; S104-W107 PolarHBondContact OG-N 3.26Å; W107-V109 PolarHBondContact O-N 2.86Å; W107-G110 PolarHBondContact O-N 2.84Å; W107-Q111 HydrophobicContact CD2-CG 3.92Å; W107-Q111 VanDerWaalsContact CE2-CG 3.44Å; W107-Q111 HydrophobicContact CE3-CG 4.43Å; W107-Q111 HydrophobicContact CG-CG 4.4Å; W107-Q111 HydrophobicContact CH2-CG 4.09Å; W107-Q111 HydrophobicContact CZ2-CG 3.56Å; W107-Q111 HydrophobicContact CZ3-CG 4.5Å; W107-Q111 WeakPolarHBondContact O-CG 3.14Å; W107-Q111 PolarHBondContact O-N 3.27Å; W107-F210 AromaticContact CH2-CD1 3.95Å; W107-F210 HydrophobicContact CH2-CD1 3.95Å; W107-F210 HydrophobicContact CH2-CE1 4.06Å; W107-F210 HydrophobicContact CZ3-CD1 4.41Å; W107-F210 HydrophobicContact CZ3-CE1 4.12Å
108Y98.4Very high97.6Very high0 Ų048.9 Ų48.90%025%0.245CC..Hα-helixtrans-56.4-51.6179.3170.8-118.6000112.1P94 L96 L98 S104 V105 R106 G110 Q111 L112 I147 T154 F210P94-Y108 HydrophobicContact CB-CE2 4.41Å; P94-Y108 WeakPolarHBondContact CB-OH 3.35Å; P94-Y108 WeakPolarHBondContact CG-OH 3.4Å; P94-Y108 PolarHBondContact O-OH 2.88Å; L96-Y108 HydrophobicContact CD1-CD2 4.43Å; L96-Y108 HydrophobicContact CD1-CE2 3.81Å; L98-Y108 HydrophobicContact CD1-CG 4.48Å; L98-Y108 HydrophobicContact CD2-CD2 3.86Å; L98-Y108 HydrophobicContact CD2-CG 3.93Å; S104-Y108 PolarHBondContact O-N 2.92Å; V105-Y108 WeakPolarHBondContact O-CB 3.29Å; V105-Y108 PolarHBondContact O-N 2.88Å; R106-Y108 VanDerWaalsContact C-N 3.34Å; Y108-G110 VanDerWaalsContact C-N 3.32Å; Y108-G110 PolarHBondContact O-N 2.86Å; Y108-Q111 PolarHBondContact O-N 3.18Å; Y108-Q111 VanDerWaalsContact O-N 3.11Å; Y108-L112 HydrophobicContact CD1-CD1 4.49Å; Y108-L112 HydrophobicContact CD2-CG 4.44Å; Y108-L112 HydrophobicContact CE1-CD1 3.88Å; Y108-L112 HydrophobicContact CE2-CD1 4.1Å; Y108-L112 HydrophobicContact CE2-CD2 3.93Å; Y108-L112 HydrophobicContact CE2-CG 4.01Å; Y108-L112 PolarHBondContact O-N 2.73Å; Y108-I147 HydrophobicContact CD1-CG1 4.48Å; Y108-I147 HydrophobicContact CE1-CB 4.12Å; Y108-I147 HydrophobicContact CE1-CG1 4.33Å; Y108-I147 HydrophobicContact CE1-CG2 3.75Å; Y108-T154 HydrophobicContact CD1-CG2 3.83Å; Y108-T154 HydrophobicContact CE1-CG2 3.55Å; Y108-T154 HydrophobicContact CE2-CG2 4.37Å; Y108-T154 HydrophobicContact CG-CG2 4.32Å; Y108-F210 AromaticContact CD2-CE1 3.74Å; Y108-F210 HydrophobicContact CD2-CE1 3.74Å; Y108-F210 AromaticContact CD2-CZ 3.82Å; Y108-F210 HydrophobicContact CD2-CZ 3.82Å; Y108-F210 AromaticContact CE2-CE1 4Å; Y108-F210 HydrophobicContact CE2-CE1 4Å; Y108-F210 AromaticContact CE2-CZ 3.9Å; Y108-F210 HydrophobicContact CE2-CZ 3.9Å
109V98.3Very high97.7Very high25 Ų2548.9 Ų48.915%0.15225%0.245CC..Hα-helixtrans-58.7-44.1176.5172.70000111.2V105 W107 Q111 L112 E113 T133 I145 I147V105-V109 HydrophobicContact CG1-CG2 4.45Å; V105-V109 WeakPolarHBondContact O-CG2 3.48Å; V105-V109 PolarHBondContact O-N 2.71Å; W107-V109 PolarHBondContact O-N 2.86Å; V109-Q111 VanDerWaalsContact C-N 3.3Å; V109-Q111 PolarHBondContact O-N 2.9Å; V109-L112 WeakPolarHBondContact O-CB 3.49Å; V109-L112 PolarHBondContact O-N 3.1Å; V109-E113 PolarHBondContact O-N 2.85Å; V109-T133 HydrophobicContact CG1-CG2 3.92Å; V109-I145 HydrophobicContact CG1-CG2 4.32Å; V109-I147 HydrophobicContact CG2-CG1 3.98Å
110G98.6Very high97.8Very high18 Ų1847.1 Ų47.119%0.18623%0.226CC..Hα-helixtrans-62.9-33176.700000113.6R106 W107 Y108 K114R106-G110 PolarHBondContact O-N 2.91Å; W107-G110 PolarHBondContact O-N 2.84Å; Y108-G110 VanDerWaalsContact C-N 3.32Å; Y108-G110 PolarHBondContact O-N 2.86Å; G110-K114 VanDerWaalsContact O-CG 3.29Å; G110-K114 WeakPolarHBondContact O-CG 3.29Å; G110-K114 PolarHBondContact O-N 3.35Å
111Q98.8Very high98Very high15 Ų1549 Ų497%0.0724%0.239CC..Hα-helixtrans-72-37.3174.1-66.9-53.495.300112W107 Y108 V109 K114 T115 Q209 F210W107-Q111 HydrophobicContact CD2-CG 3.92Å; W107-Q111 VanDerWaalsContact CE2-CG 3.44Å; W107-Q111 HydrophobicContact CE3-CG 4.43Å; W107-Q111 HydrophobicContact CG-CG 4.4Å; W107-Q111 HydrophobicContact CH2-CG 4.09Å; W107-Q111 HydrophobicContact CZ2-CG 3.56Å; W107-Q111 HydrophobicContact CZ3-CG 4.5Å; W107-Q111 WeakPolarHBondContact O-CG 3.14Å; W107-Q111 PolarHBondContact O-N 3.27Å; Y108-Q111 PolarHBondContact O-N 3.18Å; Y108-Q111 VanDerWaalsContact O-N 3.11Å; V109-Q111 VanDerWaalsContact C-N 3.3Å; V109-Q111 PolarHBondContact O-N 2.9Å; Q111-K114 PolarHBondContact O-N 3.08Å; Q111-T115 WeakPolarHBondContact O-CB 3.47Å; Q111-T115 PolarHBondContact O-N 3.44Å; Q111-T115 PolarHBondContact O-OG1 2.74Å; Q111-T115 VanDerWaalsContact O-OG1 3.07Å; Q111-Q209 PolarHBondContact NE2-O 3.09Å; Q111-F210 HydrophobicContact CB-CD2 4.3Å; Q111-F210 HydrophobicContact CB-CE1 4.11Å; Q111-F210 HydrophobicContact CB-CE2 3.61Å; Q111-F210 HydrophobicContact CB-CZ 3.5Å; Q111-F210 VanDerWaalsContact CB-CZ 3.5Å
112L98.8Very high98.1Very high0 Ų051.6 Ų51.60%025%0.248CC..Hα-helixtrans-61.5-44.4172-63.2-178.1000111.7P94 Y108 V109 K114 T115 V116 I145 I147 L158 F206 F210P94-L112 HydrophobicContact CG-CD2 3.86Å; Y108-L112 HydrophobicContact CD1-CD1 4.49Å; Y108-L112 HydrophobicContact CD2-CG 4.44Å; Y108-L112 HydrophobicContact CE1-CD1 3.88Å; Y108-L112 HydrophobicContact CE2-CD1 4.1Å; Y108-L112 HydrophobicContact CE2-CD2 3.93Å; Y108-L112 HydrophobicContact CE2-CG 4.01Å; Y108-L112 PolarHBondContact O-N 2.73Å; V109-L112 WeakPolarHBondContact O-CB 3.49Å; V109-L112 PolarHBondContact O-N 3.1Å; L112-K114 PolarHBondContact O-N 2.88Å; L112-T115 WeakPolarHBondContact O-CB 3.44Å; L112-T115 PolarHBondContact O-N 3.48Å; L112-V116 WeakPolarHBondContact O-CG2 3.49Å; L112-V116 PolarHBondContact O-N 3.17Å; L112-V116 VanDerWaalsContact O-N 3.07Å; L112-I145 HydrophobicContact CB-CD1 4.01Å; L112-I145 HydrophobicContact CD1-CG2 4.02Å; L112-I147 HydrophobicContact CD1-CG2 4.04Å; L112-L158 HydrophobicContact CB-CD2 4.48Å; L112-L158 HydrophobicContact CD2-CD2 4.26Å; L112-F206 HydrophobicContact CD2-CE2 4.29Å; L112-F210 HydrophobicContact CD2-CE2 4.04Å; L112-F210 HydrophobicContact CD2-CZ 3.85Å; L112-F210 HydrophobicContact CG-CZ 4.4Å
113E98.9Very high98.2Very high26 Ų2647.2 Ų47.212%0.12123%0.229CC..Hα-helixtrans-58.5-48.4175.6-73.6172.9159.500111V109 T115 V116 I117 T129 G134 V135 I145V109-E113 PolarHBondContact O-N 2.85Å; E113-T115 VanDerWaalsContact C-N 3.34Å; E113-T115 PolarHBondContact O-N 3.38Å; E113-V116 PolarHBondContact O-N 3.49Å; E113-I117 VanDerWaalsContact O-CG1 3.29Å; E113-I117 WeakPolarHBondContact O-CG1 3.42Å; E113-I117 PolarHBondContact O-N 3.32Å; E113-T129 HydrophobicContact CB-CG2 3.81Å; E113-T129 HydrophobicContact CG-CG2 4.2Å; E113-G134 PolarHBondContact OE1-N 2.85Å; E113-V135 HydrophobicContact CB-CG2 4.06Å; E113-V135 HydrophobicContact CG-CG2 4.16Å; E113-I145 HydrophobicContact CB-CD1 4.32Å; E113-I145 HydrophobicContact CG-CD1 3.45Å; E113-I145 VanDerWaalsContact CG-CD1 3.45Å
114K98.8Very high98.4Very high105 Ų10543.8 Ų43.846%0.45723%0.233SC..Hα-helixtrans-62.9-36.5176.3-71.5174.6-168.2169.30113.4G110 Q111 L112 V116 I117 A118 Q209G110-K114 VanDerWaalsContact O-CG 3.29Å; G110-K114 WeakPolarHBondContact O-CG 3.29Å; G110-K114 PolarHBondContact O-N 3.35Å; Q111-K114 PolarHBondContact O-N 3.08Å; L112-K114 PolarHBondContact O-N 2.88Å; K114-V116 VanDerWaalsContact C-N 3.34Å; K114-I117 PolarHBondContact O-N 3.21Å; K114-A118 VanDerWaalsContact O-CB 3.28Å; K114-A118 WeakPolarHBondContact O-CB 3.48Å; K114-A118 PolarHBondContact O-N 3.24Å; K114-Q209 HydrophobicContact CB-CG 4.13Å
115T98.9Very high98.5Very high0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-60.2-46.5175.4-71.70000110.4Q111 L112 E113 A118 L119 L202 A205 F206 Q209Q111-T115 WeakPolarHBondContact O-CB 3.47Å; Q111-T115 PolarHBondContact O-N 3.44Å; Q111-T115 PolarHBondContact O-OG1 2.74Å; Q111-T115 VanDerWaalsContact O-OG1 3.07Å; L112-T115 WeakPolarHBondContact O-CB 3.44Å; L112-T115 PolarHBondContact O-N 3.48Å; E113-T115 VanDerWaalsContact C-N 3.34Å; E113-T115 PolarHBondContact O-N 3.38Å; T115-A118 PolarHBondContact O-N 3.03Å; T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 PolarHBondContact O-N 3.35Å; T115-L202 HydrophobicContact CG2-CD1 3.89Å; T115-A205 HydrophobicContact CG2-CB 3.99Å; T115-A205 WeakPolarHBondContact O-CB 3.47Å; T115-F206 HydrophobicContact CG2-CB 3.97Å; T115-F206 HydrophobicContact CG2-CD2 4.42Å; T115-Q209 WeakPolarHBondContact OG1-CB 3.31Å
116V98.9Very high98.5Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-70.3-38.8179.5176.30000111.8L112 E113 K114 L119 C120 V135 C143 L158 L160L112-V116 WeakPolarHBondContact O-CG2 3.49Å; L112-V116 PolarHBondContact O-N 3.17Å; L112-V116 VanDerWaalsContact O-N 3.07Å; E113-V116 PolarHBondContact O-N 3.49Å; K114-V116 VanDerWaalsContact C-N 3.34Å; V116-L119 WeakPolarHBondContact O-CB 3.43Å; V116-L119 PolarHBondContact O-N 2.93Å; V116-C120 PolarHBondContact O-N 2.59Å; V116-C120 PolarHBondContact O-SG 3.15Å; V116-V135 HydrophobicContact CB-CB 4.32Å; V116-V135 HydrophobicContact CB-CG2 3.86Å; V116-V135 HydrophobicContact CG1-CB 3.86Å; V116-V135 HydrophobicContact CG1-CG1 3.96Å; V116-V135 HydrophobicContact CG1-CG2 3.98Å; V116-C143 HydrophobicContact CG1-CB 3.66Å; V116-C143 HydrophobicContact CG2-CB 4.41Å; V116-L158 HydrophobicContact CG2-CD1 4.5Å; V116-L158 HydrophobicContact CG2-CD2 3.82Å; V116-L160 HydrophobicContact CG1-CD1 4.08Å
117I98.9Very high98.6Very high44 Ų4438 Ų3823%0.22621%0.21CC..Hα-helixtrans-60.6-46.6174.6-70.1165.2000110.7E113 K114 L119 C120 S121 A127 T129 V135E113-I117 VanDerWaalsContact O-CG1 3.29Å; E113-I117 WeakPolarHBondContact O-CG1 3.42Å; E113-I117 PolarHBondContact O-N 3.32Å; K114-I117 PolarHBondContact O-N 3.21Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 3.49Å; I117-C120 PolarHBondContact O-N 2.87Å; I117-S121 PolarHBondContact O-N 3.48Å; I117-A127 HydrophobicContact CG1-CB 4.48Å; I117-A127 WeakPolarHBondContact CG2-O 3.35Å; I117-T129 HydrophobicContact CD1-CG2 3.89Å; I117-V135 HydrophobicContact CG1-CG1 3.66Å; I117-V135 HydrophobicContact CG1-CG2 4.15Å
118A98.9Very high98.7Very high24 Ų2437.5 Ų37.520%0.19822%0.22CC..Hα-helixtrans-63.8-37.8177.400000112.1K114 T115 R122 A205K114-A118 VanDerWaalsContact O-CB 3.28Å; K114-A118 WeakPolarHBondContact O-CB 3.48Å; K114-A118 PolarHBondContact O-N 3.24Å; T115-A118 PolarHBondContact O-N 3.03Å; A118-R122 WeakPolarHBondContact O-CG 3.31Å; A118-R122 PolarHBondContact O-N 2.91Å; A118-A205 HydrophobicContact CB-CB 3.95Å
119L98.8Very high98.6Very high0 Ų041.1 Ų41.10%024%0.242CC..Hα-helixtrans-59.2-52.3170.6176.8164.6000110.9T115 V116 I117 S121 R122 F123 L160 L185 H201 L202T115-L119 WeakPolarHBondContact O-CB 3.36Å; T115-L119 PolarHBondContact O-N 3.35Å; V116-L119 WeakPolarHBondContact O-CB 3.43Å; V116-L119 PolarHBondContact O-N 2.93Å; I117-L119 VanDerWaalsContact C-N 3.33Å; I117-L119 PolarHBondContact O-N 3.49Å; L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 PolarHBondContact O-N 2.85Å; L119-R122 WeakPolarHBondContact O-CB 3.47Å; L119-R122 PolarHBondContact O-N 3.4Å; L119-F123 HydrophobicContact CD2-CD2 3.82Å; L119-F123 HydrophobicContact CD2-CE2 3.83Å; L119-F123 HydrophobicContact CG-CE2 4.36Å; L119-F123 WeakPolarHBondContact O-CD2 3.31Å; L119-F123 PolarHBondContact O-N 2.94Å; L119-L160 HydrophobicContact CD1-CD2 3.67Å; L119-L160 HydrophobicContact CD2-CD2 3.72Å; L119-L160 HydrophobicContact CG-CD2 4.43Å; L119-L185 HydrophobicContact CD2-CD1 4.3Å; L119-L185 HydrophobicContact CD2-CD2 4.37Å; L119-H201 HydrophobicContact CD1-CB 4.39Å; L119-H201 HydrophobicContact CG-CB 3.87Å; L119-L202 HydrophobicContact CD1-CB 3.63Å; L119-L202 HydrophobicContact CD1-CD1 3.84Å; L119-L202 HydrophobicContact CD1-CG 4.37Å
120C98.8Very high98.4Very high0 Ų041.5 Ų41.50%025%0.246CC..Hα-helixtrans-59.4-40.4-178.5-66.10000111.4V116 I117 R122 F123 G124 V125 A127V116-C120 PolarHBondContact O-N 2.59Å; V116-C120 PolarHBondContact O-SG 3.15Å; I117-C120 PolarHBondContact O-N 2.87Å; C120-R122 VanDerWaalsContact C-N 3.27Å; C120-R122 PolarHBondContact O-N 3.17Å; C120-F123 CarbonylContact O-C 3.59Å; C120-F123 WeakPolarHBondContact O-CA 3.25Å; C120-F123 WeakPolarHBondContact O-CB 3.46Å; C120-F123 PolarHBondContact O-N 3.26Å; C120-G124 PolarHBondContact O-N 3.25Å; C120-V125 CarbonylContact C-O 3.55Å; C120-V125 VanDerWaalsContact C-O 3.25Å; C120-V125 HydrophobicContact CB-CB 4.09Å; C120-V125 HydrophobicContact CB-CG1 4.32Å; C120-V125 WeakPolarHBondContact CB-O 3.17Å; C120-V125 PolarHBondContact O-N 3.39Å; C120-A127 HydrophobicContact CB-CB 3.69Å
121S98.7Very high98Very high83 Ų8346.8 Ų46.858%0.5828%0.277SS*.Hα-helixtrans-60.1-34.1176.3174.70000112.9I117 L119 F123 G124 V125I117-S121 PolarHBondContact O-N 3.48Å; L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 PolarHBondContact O-N 2.85Å; S121-F123 PolarHBondContact O-N 3Å; S121-G124 PolarHBondContact O-N 3.36Å; S121-V125 PolarHBondContact N-O 2.75Å
122R98.4Very high97.6Very high100 Ų10049.3 Ų49.338%0.37729%0.289SS..Hα-helixtrans-67.5-23.7175-67.5170-175.7-109.11.9113A118 L119 C120 D204 E208A118-R122 WeakPolarHBondContact O-CG 3.31Å; A118-R122 PolarHBondContact O-N 2.91Å; L119-R122 WeakPolarHBondContact O-CB 3.47Å; L119-R122 PolarHBondContact O-N 3.4Å; C120-R122 VanDerWaalsContact C-N 3.27Å; C120-R122 PolarHBondContact O-N 3.17Å; R122-D204 IonicContact NH1-OD2 3.92Å; R122-E208 IonicContact CZ-OE1 3.06Å; R122-E208 IonicContact NH2-OE1 2.69Å; R122-E208 PolarHBondContact NH2-OE1 3.05Å; R122-E208 IonicContact NH2-OE2 3.69Å; R122-E208 PolarHBondContact NH2-OE2 3.46Å
123F98.4Very high97.4Very high23 Ų2352.3 Ų52.310%0.10131%0.307CS..THydrogen-bonded Turntrans-87.8-3.5171.4-78.3-78.1000113.2L119 C120 S121 V125 L185 L189 V193 E197 H201L119-F123 HydrophobicContact CD2-CD2 3.82Å; L119-F123 HydrophobicContact CD2-CE2 3.83Å; L119-F123 HydrophobicContact CG-CE2 4.36Å; L119-F123 WeakPolarHBondContact O-CD2 3.31Å; L119-F123 PolarHBondContact O-N 2.94Å; C120-F123 CarbonylContact O-C 3.59Å; C120-F123 WeakPolarHBondContact O-CA 3.25Å; C120-F123 WeakPolarHBondContact O-CB 3.46Å; C120-F123 PolarHBondContact O-N 3.26Å; S121-F123 PolarHBondContact O-N 3Å; F123-V125 VanDerWaalsContact C-N 3.3Å; F123-V125 HydrophobicContact CB-CG2 4.21Å; F123-L185 HydrophobicContact CD2-CD1 4.36Å; F123-L185 HydrophobicContact CD2-CD2 4.17Å; F123-L185 HydrophobicContact CE2-CD1 4.08Å; F123-L185 HydrophobicContact CG-CD2 4.36Å; F123-L185 HydrophobicContact CZ-CD1 4.37Å; F123-L189 HydrophobicContact CB-CD1 4.01Å; F123-L189 HydrophobicContact CD1-CD1 3.73Å; F123-L189 HydrophobicContact CG-CD1 4.21Å; F123-L189 WeakPolarHBondContact O-CD2 3.41Å; F123-V193 HydrophobicContact CD1-CG1 4.39Å; F123-V193 HydrophobicContact CE1-CG1 3.72Å; F123-V193 HydrophobicContact CZ-CG1 4.01Å; F123-E197 HydrophobicContact CE1-CG 4.1Å; F123-E197 WeakPolarHBondContact CE1-OE1 3.36Å; F123-E197 HydrophobicContact CZ-CG 4.17Å; F123-H201 HydrophobicContact CE2-CB 4.17Å; F123-H201 AromaticContact CE2-CD2 3.39Å; F123-H201 WeakPolarHBondContact CE2-CD2 3.4Å; F123-H201 AromaticContact CE2-CG 3.96Å; F123-H201 AromaticContact CZ-CD2 3.36Å; F123-H201 WeakPolarHBondContact CZ-CD2 3.33Å; F123-H201 AromaticContact CZ-NE2 3.92Å
124G98.4Very high97.3Very high68 Ų6851 Ų5170%0.70130%0.301SS*.THydrogen-bonded Turntrans76.314.9-172.200000114C120 S121C120-G124 PolarHBondContact O-N 3.25Å; S121-G124 PolarHBondContact O-N 3.36Å
125V98.6Very high97.2Very high9 Ų946 Ų466%0.05528%0.28CS..  trans-93.2120.6177.3178.10000109.6C120 S121 F123 A127 V137 I142 E188 L189C120-V125 CarbonylContact C-O 3.55Å; C120-V125 VanDerWaalsContact C-O 3.25Å; C120-V125 HydrophobicContact CB-CB 4.09Å; C120-V125 HydrophobicContact CB-CG1 4.32Å; C120-V125 WeakPolarHBondContact CB-O 3.17Å; C120-V125 PolarHBondContact O-N 3.39Å; S121-V125 PolarHBondContact N-O 2.75Å; F123-V125 VanDerWaalsContact C-N 3.3Å; F123-V125 HydrophobicContact CB-CG2 4.21Å; V125-A127 PolarHBondContact O-N 2.94Å; V125-V137 HydrophobicContact CG1-CG1 4.48Å; V125-V137 HydrophobicContact CG1-CG2 3.62Å; V125-I142 HydrophobicContact CG1-CD1 4.4Å; V125-E188 HydrophobicContact CG1-CB 4.23Å; V125-E188 HydrophobicContact CG1-CG 4.3Å; V125-E188 HydrophobicContact CG2-CB 4.07Å; V125-L189 HydrophobicContact CG2-CD1 4.48Å; V125-L189 HydrophobicContact CG2-CD2 3.92Å; V125-L189 HydrophobicContact CG2-CG 4Å
126E98.5Very high97.2Very high180 Ų18046.4 Ų46.484%0.84128%0.281SS*.  trans-78104.5176.8-170.3179.1168.100110.6
127A98.6Very high97.2Very high13 Ų1347.5 Ų47.511%0.10729%0.288CS..  trans-120.5148.5-179.100000111.9I117 C120 V125 V135 W136 V137I117-A127 HydrophobicContact CG1-CB 4.48Å; I117-A127 WeakPolarHBondContact CG2-O 3.35Å; C120-A127 HydrophobicContact CB-CB 3.69Å; V125-A127 PolarHBondContact O-N 2.94Å; A127-V135 HydrophobicContact CB-CG1 3.67Å; A127-W136 CarbonylContact C-O 3.51Å; A127-W136 VanDerWaalsContact CA-O 3.22Å; A127-W136 WeakPolarHBondContact CA-O 3.37Å; A127-V137 HydrophobicContact CB-CG2 4.19Å
128A98.4Very high97Very high54 Ų5448.7 Ų48.745%0.44631%0.311SS..EExtended strand (participates in β ladder)trans-142168-177.500000112.4W136A128-W136 PolarHBondContact N-O 3.05Å; A128-W136 PolarHBondContact O-N 2.86Å
129T97.4Very high96.7Very high77 Ų7752.8 Ų52.847%0.47233%0.329SS..EExtended strand (participates in β ladder)trans-77.7164.1165.157.30000110.4E113 I117E113-T129 HydrophobicContact CB-CG2 3.81Å; E113-T129 HydrophobicContact CG-CG2 4.2Å; I117-T129 HydrophobicContact CD1-CG2 3.89Å
130S93.3Very high96.6Very high33 Ų3357.3 Ų57.323%0.23135%0.349CS..  trans-138.6175.6169.485.10000109.9H132 W136S130-H132 PolarHBondContact O-N 2.96Å; S130-H132 PolarHBondContact OG-N 3.29Å; S130-H132 VanDerWaalsContact OG-N 3.1Å; S130-H132 PolarHBondContact OG-O 2.97Å; S130-H132 VanDerWaalsContact OG-O 3.09Å; S130-W136 VanDerWaalsContact OG-CE2 3.25Å; S130-W136 PolarHBondContact OG-NE1 3.18Å
131P91.6Very high96.5Very high129 Ų12958 Ų5884%0.83835%0.352SS*.SBendtrans-56.3-16.5170.7-27.136.6000114.3
132H90.7Very high96.5Very high67 Ų6754 Ų5431%0.3132%0.324SS..SBendtrans-106.6126.2175.3-46.4-79.2000110.6S130 G134 W136 I177 K180S130-H132 PolarHBondContact O-N 2.96Å; S130-H132 PolarHBondContact OG-N 3.29Å; S130-H132 VanDerWaalsContact OG-N 3.1Å; S130-H132 PolarHBondContact OG-O 2.97Å; S130-H132 VanDerWaalsContact OG-O 3.09Å; H132-G134 PolarHBondContact O-N 2.96Å; H132-W136 HydrophobicContact CB-CZ2 3.73Å; H132-W136 PolarHBondContact O-NE1 2.79Å; H132-I177 HydrophobicContact CB-CD1 3.85Å; H132-I177 WeakPolarHBondContact ND1-CD1 3.41Å; H132-K180 PolarHBondContact CD2-NZ 3.03Å; H132-K180 PolarHBondContact NE2-NZ 3.42Å
133T93.5Very high96.5Very high63 Ų6349.3 Ų49.339%0.38731%0.306SS..SBendtrans-50.5137-177.3-540000113.3V109 K141 I145V109-T133 HydrophobicContact CG1-CG2 3.92Å; T133-K141 PolarHBondContact O-NZ 2.95Å; T133-I145 HydrophobicContact CG2-CB 4.06Å; T133-I145 HydrophobicContact CG2-CG2 4.26Å
134G95.9Very high96.5Very high0 Ų049.2 Ų49.20%031%0.31CS..SBendtrans118.9179.2-173.500000111.4E113 H132 W136 C143E113-G134 PolarHBondContact OE1-N 2.85Å; H132-G134 PolarHBondContact O-N 2.96Å; G134-W136 VanDerWaalsContact O-CD1 3.26Å; G134-W136 PolarHBondContact O-NE1 3.11Å; G134-C143 VanDerWaalsContact CA-O 3.29Å; G134-C143 WeakPolarHBondContact CA-O 3.33Å
135V98.4Very high96.4Very high0 Ų046.7 Ų46.70%028%0.28CS..EExtended strand (participates in β ladder)trans-114.1142.1-179.2178.70000110.1E113 V116 I117 A127 I142 C143E113-V135 HydrophobicContact CB-CG2 4.06Å; E113-V135 HydrophobicContact CG-CG2 4.16Å; V116-V135 HydrophobicContact CB-CB 4.32Å; V116-V135 HydrophobicContact CB-CG2 3.86Å; V116-V135 HydrophobicContact CG1-CB 3.86Å; V116-V135 HydrophobicContact CG1-CG1 3.96Å; V116-V135 HydrophobicContact CG1-CG2 3.98Å; I117-V135 HydrophobicContact CG1-CG1 3.66Å; I117-V135 HydrophobicContact CG1-CG2 4.15Å; A127-V135 HydrophobicContact CB-CG1 3.67Å; V135-I142 HydrophobicContact CB-CG2 4.28Å; V135-I142 HydrophobicContact CG1-CG2 3.97Å; V135-I142 WeakPolarHBondContact O-CG2 3.45Å; V135-I142 PolarHBondContact O-N 3.22Å; V135-C143 HydrophobicContact CB-CB 4.22Å; V135-C143 PolarHBondContact N-O 3.31Å; V135-C143 PolarHBondContact O-N 3.1Å
136W98.2Very high96.3Very high8 Ų846.8 Ų46.83%0.0328%0.283CS..EExtended strand (participates in β ladder)trans-133.3145.4-164.1-57.180.4000111.3A127 A128 S130 H132 G134 K140 K141 I177 K180A127-W136 CarbonylContact C-O 3.51Å; A127-W136 VanDerWaalsContact CA-O 3.22Å; A127-W136 WeakPolarHBondContact CA-O 3.37Å; A128-W136 PolarHBondContact N-O 3.05Å; A128-W136 PolarHBondContact O-N 2.86Å; S130-W136 VanDerWaalsContact OG-CE2 3.25Å; S130-W136 PolarHBondContact OG-NE1 3.18Å; H132-W136 HydrophobicContact CB-CZ2 3.73Å; H132-W136 PolarHBondContact O-NE1 2.79Å; G134-W136 VanDerWaalsContact O-CD1 3.26Å; G134-W136 PolarHBondContact O-NE1 3.11Å; W136-K140 CarbonylContact C-O 3.59Å; W136-K140 WeakPolarHBondContact CA-O 3.44Å; W136-K141 HydrophobicContact CD2-CB 4.13Å; W136-K141 HydrophobicContact CE3-CB 3.77Å; W136-K141 VanDerWaalsContact CE3-N 3.35Å; W136-K141 HydrophobicContact CH2-CB 4.03Å; W136-K141 HydrophobicContact CZ2-CB 4.37Å; W136-K141 HydrophobicContact CZ2-CD 4.34Å; W136-K141 HydrophobicContact CZ3-CB 3.69Å; W136-I177 HydrophobicContact CH2-CD1 4.33Å; W136-K180 HydrophobicContact CH2-CB 4.39Å; W136-K180 HydrophobicContact CH2-CD 3.89Å; W136-K180 HydrophobicContact CZ3-CB 3.98Å; W136-K180 HydrophobicContact CZ3-CD 3.74Å; W136-K180 HydrophobicContact CZ3-CG 4.38Å
137V97.9Very high96.2Very high23 Ų2339.3 Ų39.314%0.13925%0.249CC..EExtended strand (participates in β ladder)trans-114.5106.2167.2-179.80000106.3V125 A127 D139 K140 I142 T183 E188V125-V137 HydrophobicContact CG1-CG1 4.48Å; V125-V137 HydrophobicContact CG1-CG2 3.62Å; A127-V137 HydrophobicContact CB-CG2 4.19Å; V137-D139 PolarHBondContact O-N 2.89Å; V137-K140 PolarHBondContact N-O 3.42Å; V137-K140 PolarHBondContact O-N 3.21Å; V137-I142 HydrophobicContact CG2-CB 4.24Å; V137-I142 HydrophobicContact CG2-CD1 4.14Å; V137-I142 HydrophobicContact CG2-CG2 4.22Å; V137-T183 HydrophobicContact CB-CG2 4.19Å; V137-T183 HydrophobicContact CG2-CG2 4.27Å; V137-E188 HydrophobicContact CG1-CG 4.33Å; V137-E188 HydrophobicContact CG2-CG 4.4Å
138G95.4Very high96.1Very high69 Ų6942 Ų4271%0.71126%0.259SS*.THydrogen-bonded Turntrans53.2-125.2-162.600000111.2
139D93.3Very high96Very high109 Ų10941.3 Ų41.358%0.58325%0.25SS*.THydrogen-bonded Turntrans-90.88.5177.3-75.1-49.5000114.7V137 G181V137-D139 PolarHBondContact O-N 2.89Å; D139-G181 PolarHBondContact O-N 2.93Å
140K95.9Very high95.9Very high95 Ų9539.2 Ų39.241%0.41324%0.243SC..EExtended strand (participates in β ladder)trans-105.8124.1-178.4-57.8175.3-167165.50111W136 V137 I142 G181 T183W136-K140 CarbonylContact C-O 3.59Å; W136-K140 WeakPolarHBondContact CA-O 3.44Å; V137-K140 PolarHBondContact N-O 3.42Å; V137-K140 PolarHBondContact O-N 3.21Å; K140-I142 PolarHBondContact O-N 3.26Å; K140-G181 CarbonylContact C-O 3.44Å; K140-G181 WeakPolarHBondContact CA-O 3.45Å; K140-T183 HydrophobicContact CB-CG2 3.94Å
141K97.1Very high95.9Very high15 Ų1549.2 Ų49.27%0.06528%0.276CS..EExtended strand (participates in β ladder)trans-73.4123176.8-172.9171.7-61.5-159.80110.4T133 W136 C143 A144 C175 G181 V182 T183T133-K141 PolarHBondContact O-NZ 2.95Å; W136-K141 HydrophobicContact CD2-CB 4.13Å; W136-K141 HydrophobicContact CE3-CB 3.77Å; W136-K141 VanDerWaalsContact CE3-N 3.35Å; W136-K141 HydrophobicContact CH2-CB 4.03Å; W136-K141 HydrophobicContact CZ2-CB 4.37Å; W136-K141 HydrophobicContact CZ2-CD 4.34Å; W136-K141 HydrophobicContact CZ3-CB 3.69Å; K141-C143 WeakPolarHBondContact CG-O 3.43Å; K141-A144 HydrophobicContact CD-CB 4.33Å; K141-C175 PolarHBondContact NZ-SG 2.81Å; K141-G181 PolarHBondContact N-O 3.07Å; K141-V182 HydrophobicContact CB-CG1 4.47Å; K141-V182 CarbonylContact O-C 3.57Å; K141-V182 WeakPolarHBondContact O-CA 3.31Å; K141-T183 PolarHBondContact O-N 3.47Å
142I98.6Very high96.1Very high0 Ų048.8 Ų48.80%026%0.259CS..EExtended strand (participates in β ladder)trans-96.2-27.8173.9-164.6168.7000111.9V125 V135 V137 K140 L160 N161 T183 L185V125-I142 HydrophobicContact CG1-CD1 4.4Å; V135-I142 HydrophobicContact CB-CG2 4.28Å; V135-I142 HydrophobicContact CG1-CG2 3.97Å; V135-I142 WeakPolarHBondContact O-CG2 3.45Å; V135-I142 PolarHBondContact O-N 3.22Å; V137-I142 HydrophobicContact CG2-CB 4.24Å; V137-I142 HydrophobicContact CG2-CD1 4.14Å; V137-I142 HydrophobicContact CG2-CG2 4.22Å; K140-I142 PolarHBondContact O-N 3.26Å; I142-L160 HydrophobicContact CG1-CD1 4Å; I142-N161 PolarHBondContact O-N 3.33Å; I142-T183 HydrophobicContact CB-CG2 3.79Å; I142-T183 HydrophobicContact CD1-CG2 4.33Å; I142-T183 HydrophobicContact CG1-CG2 4.05Å; I142-L185 HydrophobicContact CD1-CD2 3.95Å; I142-L185 HydrophobicContact CD1-CG 4.35Å
143C98.6Very high96.5Very high0 Ų046.4 Ų46.40%025%0.249CC..EExtended strand (participates in β ladder)trans-140.9126.4179.2-173.70000112.4V116 G134 V135 K141 A159 L160V116-C143 HydrophobicContact CG1-CB 3.66Å; V116-C143 HydrophobicContact CG2-CB 4.41Å; G134-C143 VanDerWaalsContact CA-O 3.29Å; G134-C143 WeakPolarHBondContact CA-O 3.33Å; V135-C143 HydrophobicContact CB-CB 4.22Å; V135-C143 PolarHBondContact N-O 3.31Å; V135-C143 PolarHBondContact O-N 3.1Å; K141-C143 WeakPolarHBondContact CG-O 3.43Å; C143-A159 VanDerWaalsContact CA-O 3.28Å; C143-A159 WeakPolarHBondContact CA-O 3.44Å; C143-A159 VanDerWaalsContact SG-C 3.51Å; C143-A159 PolarHBondContact SG-O 2.81Å; C143-L160 HydrophobicContact CB-CB 4.44Å; C143-L160 HydrophobicContact CB-CD1 3.98Å
144A97.6Very high96.7Very high21 Ų2143.4 Ų43.417%0.17423%0.23CC..EExtended strand (participates in β ladder)trans-85.1140.8170.900000110.4K141 L158 A159K141-A144 HydrophobicContact CD-CB 4.33Å; A144-L158 CarbonylContact O-C 3.56Å; A144-L158 VanDerWaalsContact O-CA 3.26Å; A144-L158 WeakPolarHBondContact O-CA 3.44Å; A144-A159 PolarHBondContact N-O 3.37Å; A144-A159 PolarHBondContact O-N 2.92Å
145I97.6Very high96.8Very high16 Ų1644 Ų448%0.08224%0.235CC..EExtended strand (participates in β ladder)trans-127123.1173.5-63.3170.6000108.1V109 L112 E113 T133 I147 G157 L158V109-I145 HydrophobicContact CG1-CG2 4.32Å; L112-I145 HydrophobicContact CB-CD1 4.01Å; L112-I145 HydrophobicContact CD1-CG2 4.02Å; E113-I145 HydrophobicContact CB-CD1 4.32Å; E113-I145 HydrophobicContact CG-CD1 3.45Å; E113-I145 VanDerWaalsContact CG-CD1 3.45Å; T133-I145 HydrophobicContact CG2-CB 4.06Å; T133-I145 HydrophobicContact CG2-CG2 4.26Å; I145-I147 HydrophobicContact CG2-CG2 4.23Å; I145-G157 WeakPolarHBondContact CA-O 3.33Å; I145-L158 HydrophobicContact CG1-CB 3.94Å
146G95.8Very high96.8Very high11 Ų1144.2 Ų44.211%0.11324%0.236CC..EExtended strand (participates in β ladder)trans-149.4114.9179.500000108.9H156 G157G146-H156 WeakPolarHBondContact O-CB 3.44Å; G146-G157 PolarHBondContact N-O 2.83Å; G146-G157 PolarHBondContact O-N 3.33Å
147I96.7Very high96.8Very high23 Ų2344 Ų4412%0.11824%0.237CC..EExtended strand (participates in β ladder)trans-120.3158.8-172.366.887.8000110.8G79 V105 Y108 V109 L112 I145 C149G79-I147 PolarHBondContact N-O 3.17Å; V105-I147 HydrophobicContact CG1-CD1 3.65Å; Y108-I147 HydrophobicContact CD1-CG1 4.48Å; Y108-I147 HydrophobicContact CE1-CB 4.12Å; Y108-I147 HydrophobicContact CE1-CG1 4.33Å; Y108-I147 HydrophobicContact CE1-CG2 3.75Å; V109-I147 HydrophobicContact CG2-CG1 3.98Å; L112-I147 HydrophobicContact CD1-CG2 4.04Å; I145-I147 HydrophobicContact CG2-CG2 4.23Å; I147-C149 HydrophobicContact CD1-CB 4.23Å
148H96.8Very high96.8Very high70 Ų7043.1 Ų43.132%0.32423%0.231SC..EExtended strand (participates in β ladder)trans-119.2150.1159.4171.3-96.7000108.3N77 T154 S155N77-H148 WeakPolarHBondContact O-CB 3.44Å; N77-H148 PolarHBondContact O-CD2 3.23Å; H148-T154 WeakPolarHBondContact O-CA 3.42Å; H148-S155 PolarHBondContact N-O 3.04Å; H148-S155 PolarHBondContact ND1-OG 2.98Å; H148-S155 PolarHBondContact O-N 3.03Å
149C96.6Very high97Very high39 Ų3940 Ų4026%0.26420%0.198SC..EExtended strand (participates in β ladder)trans-144.9114.5176.2-176.30000109.7V105 I147 V153 T154V105-C149 HydrophobicContact CG2-CB 3.94Å; I147-C149 HydrophobicContact CD1-CB 4.23Å; C149-V153 WeakPolarHBondContact CA-O 3.26Å; C149-T154 HydrophobicContact CB-CG2 4.48Å
150G94.8Very high97.2Very high32 Ų3234.8 Ų34.833%0.3317%0.17SC..EExtended strand (participates in β ladder)trans-119.7127.7177.200000109.9Y152 V153G150-Y152 PolarHBondContact O-N 3.22Å; G150-Y152 VanDerWaalsContact O-N 3.12Å; G150-V153 PolarHBondContact N-O 3.39Å; G150-V153 PolarHBondContact O-N 3.1Å
151R93.6Very high97.4Very high244 Ų24430.5 Ų30.592%0.92115%0.152SC*.THydrogen-bonded Turntrans49.837.8-177.4-58.5179.2179.1154.8-0.7113.4V153R151-V153 PolarHBondContact O-N 3.25Å
152Y95.6Very high97.5Very high119 Ų11929.8 Ų29.847%0.46715%0.149SC..THydrogen-bonded Turntrans66.67.2-175.5-55.2-74.2000116.2N97 L98 K103 G150N97-Y152 CarbonylContact C-O 3.5Å; N97-Y152 WeakPolarHBondContact CA-O 3.46Å; L98-Y152 PolarHBondContact N-O 3.37Å; K103-Y152 HydrophobicContact CB-CD1 4.11Å; K103-Y152 HydrophobicContact CB-CE1 3.89Å; K103-Y152 HydrophobicContact CD-CE2 4.48Å; K103-Y152 HydrophobicContact CG-CD1 4.3Å; K103-Y152 HydrophobicContact CG-CE1 4.37Å; G150-Y152 PolarHBondContact O-N 3.22Å; G150-Y152 VanDerWaalsContact O-N 3.12Å
153V98.1Very high97.5Very high17 Ų1732.5 Ų32.510%0.10316%0.163CC..EExtended strand (participates in β ladder)trans-94.6125.9169.8-175.50000109.2T29 H32 V95 L96 N97 C149 G150 R151T29-V153 HydrophobicContact CG2-CG1 3.87Å; H32-V153 HydrophobicContact CB-CG1 4.44Å; H32-V153 HydrophobicContact CB-CG2 3.93Å; H32-V153 VanDerWaalsContact CD2-CG1 3.47Å; H32-V153 WeakPolarHBondContact CD2-CG1 3.43Å; V95-V153 HydrophobicContact CG1-CG1 4.28Å; L96-V153 CarbonylContact O-C 3.07Å; L96-V153 VanDerWaalsContact O-CA 3.28Å; L96-V153 WeakPolarHBondContact O-CA 3.32Å; N97-V153 HydrophobicContact CB-CG2 4.31Å; C149-V153 WeakPolarHBondContact CA-O 3.26Å; G150-V153 PolarHBondContact N-O 3.39Å; G150-V153 PolarHBondContact O-N 3.1Å; R151-V153 PolarHBondContact O-N 3.25Å
154T98.4Very high97.5Very high0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-88.3149.9-177.557.40000112P94 V95 L96 L98 Y108 H148 C149P94-T154 PolarHBondContact O-OG1 2.95Å; V95-T154 WeakPolarHBondContact CA-O 3.29Å; L96-T154 PolarHBondContact N-OG1 2.99Å; L96-T154 PolarHBondContact O-N 3.45Å; L96-T154 PolarHBondContact O-OG1 2.83Å; L98-T154 HydrophobicContact CD1-CG2 3.99Å; L98-T154 HydrophobicContact CD2-CG2 3.88Å; L98-T154 HydrophobicContact CG-CG2 3.83Å; Y108-T154 HydrophobicContact CD1-CG2 3.83Å; Y108-T154 HydrophobicContact CE1-CG2 3.55Å; Y108-T154 HydrophobicContact CE2-CG2 4.37Å; Y108-T154 HydrophobicContact CG-CG2 4.32Å; H148-T154 WeakPolarHBondContact O-CA 3.42Å; C149-T154 HydrophobicContact CB-CG2 4.48Å
155S98.1Very high97.5Very high13 Ų1335.9 Ų35.99%0.09118%0.179CC..EExtended strand (participates in β ladder)trans-144.7174.316563.30000109.8H148H148-S155 PolarHBondContact N-O 3.04Å; H148-S155 PolarHBondContact ND1-OG 2.98Å; H148-S155 PolarHBondContact O-N 3.03Å
156H98.1Very high97.5Very high4 Ų435.6 Ų35.62%0.01918%0.177CC..EExtended strand (participates in β ladder)trans54.3-152.5-159.9-54.7-98.1000109.7N77 R78 Y93 G146N77-H156 PolarHBondContact OD1-NE2 3.26Å; R78-H156 HydrophobicContact CB-CB 4.17Å; Y93-H156 WeakPolarHBondContact CA-O 3.47Å; Y93-H156 VanDerWaalsContact CD1-C 3.42Å; G146-H156 WeakPolarHBondContact O-CB 3.44Å
157G98.1Very high97.5Very high5 Ų537.4 Ų37.45%0.05219%0.188CC..EExtended strand (participates in β ladder)trans163-126.3-172.600000113.6C92 I145 G146C92-G157 WeakPolarHBondContact O-CA 3.39Å; I145-G157 WeakPolarHBondContact CA-O 3.33Å; G146-G157 PolarHBondContact N-O 2.83Å; G146-G157 PolarHBondContact O-N 3.33Å
158L98.6Very high97.5Very high4 Ų438.5 Ų38.52%0.02119%0.191CC..EExtended strand (participates in β ladder)trans-123.1153.8-174.966.381.7000111.5V91 C92 L112 V116 A144 I145 L202V91-L158 WeakPolarHBondContact CA-O 3.38Å; C92-L158 HydrophobicContact CB-CD1 3.69Å; C92-L158 HydrophobicContact CB-CG 3.91Å; C92-L158 PolarHBondContact N-O 3.43Å; C92-L158 PolarHBondContact O-N 2.96Å; L112-L158 HydrophobicContact CB-CD2 4.48Å; L112-L158 HydrophobicContact CD2-CD2 4.26Å; V116-L158 HydrophobicContact CG2-CD1 4.5Å; V116-L158 HydrophobicContact CG2-CD2 3.82Å; A144-L158 CarbonylContact O-C 3.56Å; A144-L158 VanDerWaalsContact O-CA 3.26Å; A144-L158 WeakPolarHBondContact O-CA 3.44Å; I145-L158 HydrophobicContact CG1-CB 3.94Å; L158-L202 HydrophobicContact CD1-CD1 4.35Å; L158-L202 HydrophobicContact CD2-CD1 4.36Å
159A98.8Very high97.4Very high3 Ų335.7 Ų35.73%0.02518%0.178CC..EExtended strand (participates in β ladder)trans-136.810117700000108.8Q89 L90 V91 C143 A144Q89-A159 HydrophobicContact CG-CB 4.31Å; L90-A159 CarbonylContact O-C 3.52Å; L90-A159 WeakPolarHBondContact O-CA 3.35Å; V91-A159 HydrophobicContact CG2-CB 4.21Å; C143-A159 VanDerWaalsContact CA-O 3.28Å; C143-A159 WeakPolarHBondContact CA-O 3.44Å; C143-A159 VanDerWaalsContact SG-C 3.51Å; C143-A159 PolarHBondContact SG-O 2.81Å; A144-A159 PolarHBondContact N-O 3.37Å; A144-A159 PolarHBondContact O-N 2.92Å
160L98.9Very high97.1Very high0 Ų040.2 Ų40.20%020%0.199CC..EExtended strand (participates in β ladder)trans-91126.4-179.4174.766.6000109.9Q89 L90 V116 L119 I142 C143 C162 L185 A198Q89-L160 CarbonylContact C-O 3.25Å; Q89-L160 WeakPolarHBondContact CA-O 3.46Å; Q89-L160 VanDerWaalsContact CG-O 3.28Å; Q89-L160 WeakPolarHBondContact CG-O 3.37Å; L90-L160 HydrophobicContact CB-CB 4.37Å; L90-L160 PolarHBondContact N-O 3.46Å; L90-L160 PolarHBondContact O-N 2.92Å; V116-L160 HydrophobicContact CG1-CD1 4.08Å; L119-L160 HydrophobicContact CD1-CD2 3.67Å; L119-L160 HydrophobicContact CD2-CD2 3.72Å; L119-L160 HydrophobicContact CG-CD2 4.43Å; I142-L160 HydrophobicContact CG1-CD1 4Å; C143-L160 HydrophobicContact CB-CB 4.44Å; C143-L160 HydrophobicContact CB-CD1 3.98Å; L160-C162 PolarHBondContact O-N 3.04Å; L160-L185 HydrophobicContact CD2-CD1 4.15Å; L160-A198 HydrophobicContact CD2-CB 4.41Å
161N98.9Very high97Very high5 Ų542.5 Ų42.53%0.02720%0.201CC..EExtended strand (participates in β ladder)trans-77.6108.7175-64-30.5000109.7Q89 I142 T164 L166 T183 S184 L185Q89-N161 PolarHBondContact NE2-OD1 2.89Å; I142-N161 PolarHBondContact O-N 3.33Å; N161-T164 VanDerWaalsContact CA-OG1 3.26Å; N161-T164 WeakPolarHBondContact CA-OG1 3.4Å; N161-L166 HydrophobicContact CB-CD2 4.34Å; N161-T183 WeakPolarHBondContact CB-O 3.36Å; N161-T183 PolarHBondContact ND2-O 3.35Å; N161-S184 CarbonylContact O-C 3.07Å; N161-S184 WeakPolarHBondContact O-CA 3.49Å; N161-S184 WeakPolarHBondContact O-CB 3.25Å; N161-L185 PolarHBondContact O-N 3.13Å
162C98.9Very high96.7Very high0 Ų031.6 Ų31.60%016%0.161CC..SBendtrans-90.6-84.8178.2-59.20000109.6G88 L160 T164 S184 L185 S186 V193 V195 A198G88-C162 WeakPolarHBondContact O-CA 3.4Å; G88-C162 WeakPolarHBondContact O-CB 3.33Å; G88-C162 PolarHBondContact O-N 3Å; G88-C162 VanDerWaalsContact O-N 3.1Å; L160-C162 PolarHBondContact O-N 3.04Å; C162-T164 PolarHBondContact N-OG1 3.14Å; C162-S184 VanDerWaalsContact O-CB 3.25Å; C162-S184 WeakPolarHBondContact O-CB 3.08Å; C162-S184 PolarHBondContact O-OG 2.67Å; C162-L185 HydrophobicContact CB-CD1 4.47Å; C162-L185 PolarHBondContact O-N 3.02Å; C162-S186 WeakPolarHBondContact O-CB 3.4Å; C162-S186 PolarHBondContact O-N 3.46Å; C162-S186 PolarHBondContact O-OG 3.38Å; C162-V193 CarbonylContact C-O 3.44Å; C162-V193 VanDerWaalsContact CB-O 3.26Å; C162-V193 WeakPolarHBondContact CB-O 3.48Å; C162-V195 HydrophobicContact CB-CG2 4.15Å; C162-A198 VanDerWaalsContact SG-CB 3.58Å
163N98.7Very high96.1Very high57 Ų5729.2 Ų29.231%0.30516%0.159SC..SBendtrans-113.731.5169.461.8-11.9000111.3G88 D165 S186 D192 V193G88-N163 WeakPolarHBondContact CA-OD1 3.39Å; G88-N163 PolarHBondContact O-N 3.45Å; G88-N163 PolarHBondContact O-OD1 3.43Å; N163-D165 PolarHBondContact O-N 3.03Å; N163-S186 VanDerWaalsContact CA-OG 3.26Å; N163-S186 WeakPolarHBondContact CA-OG 3.35Å; N163-S186 WeakPolarHBondContact CB-OG 3.15Å; N163-D192 WeakPolarHBondContact CB-OD1 3.49Å; N163-D192 PolarHBondContact ND2-OD1 3.05Å; N163-V193 PolarHBondContact N-O 2.92Å; N163-V193 VanDerWaalsContact N-O 3.11Å
164T98.6Very high94.8Very high6 Ų629.9 Ų29.94%0.03716%0.163CC..  trans-57.2135.2178-420000110.7F84 G88 Q89 N161 C162 L166 F169F84-T164 HydrophobicContact CE1-CG2 4.16Å; G88-T164 VanDerWaalsContact C-OG1 3.25Å; G88-T164 PolarHBondContact O-N 2.73Å; G88-T164 PolarHBondContact O-OG1 3.37Å; Q89-T164 WeakPolarHBondContact CA-OG1 3.31Å; Q89-T164 HydrophobicContact CB-CG2 3.97Å; Q89-T164 WeakPolarHBondContact CB-OG1 3.26Å; Q89-T164 PolarHBondContact N-OG1 3.38Å; N161-T164 VanDerWaalsContact CA-OG1 3.26Å; N161-T164 WeakPolarHBondContact CA-OG1 3.4Å; C162-T164 PolarHBondContact N-OG1 3.14Å; T164-L166 PolarHBondContact O-N 3.26Å; T164-L166 VanDerWaalsContact O-N 3.11Å; T164-F169 HydrophobicContact CG2-CE2 4.49Å
165D98.1Very high93.3Very high86 Ų8631.9 Ų31.946%0.4618%0.177SC..  trans-65.4110.5165.9178.33.8000109.3N163 S167 W168N163-D165 PolarHBondContact O-N 3.03Å; D165-S167 VanDerWaalsContact C-N 3.29Å; D165-S167 PolarHBondContact O-N 3.2Å; D165-S167 VanDerWaalsContact OD1-CB 3.32Å; D165-S167 WeakPolarHBondContact OD1-CB 3.35Å; D165-S167 PolarHBondContact OD1-N 3.28Å; D165-S167 PolarHBondContact OD1-OG 3.36Å; D165-S167 PolarHBondContact OD2-OG 3.18Å; D165-S167 VanDerWaalsContact OD2-OG 3.11Å; D165-W168 PolarHBondContact OD2-NE1 2.98Å
166L97.3Very high91.8Very high9 Ų933.8 Ų33.85%0.04720%0.198CC..G310 helixtrans-80.3-11.7-174.4-63.3177.6000112.8N161 T164 W168 F169 V182 R187N161-L166 HydrophobicContact CB-CD2 4.34Å; T164-L166 PolarHBondContact O-N 3.26Å; T164-L166 VanDerWaalsContact O-N 3.11Å; L166-W168 PolarHBondContact O-N 3.26Å; L166-F169 HydrophobicContact CD2-CD2 4.1Å; L166-F169 HydrophobicContact CD2-CE2 4.09Å; L166-F169 WeakPolarHBondContact O-CB 3.08Å; L166-F169 PolarHBondContact O-N 3.31Å; L166-V182 HydrophobicContact CB-CG2 4.32Å; L166-V182 HydrophobicContact CD2-CB 4.5Å; L166-V182 HydrophobicContact CD2-CG2 4.01Å; L166-R187 HydrophobicContact CD1-CB 4.47Å
167S96.1Very high90.2Very high49 Ų4935 Ų3534%0.34321%0.205SC..G310 helixtrans-61.9-26.9177.768.90000112.5D165 F169 D170D165-S167 VanDerWaalsContact C-N 3.29Å; D165-S167 PolarHBondContact O-N 3.2Å; D165-S167 VanDerWaalsContact OD1-CB 3.32Å; D165-S167 WeakPolarHBondContact OD1-CB 3.35Å; D165-S167 PolarHBondContact OD1-N 3.28Å; D165-S167 PolarHBondContact OD1-OG 3.36Å; D165-S167 PolarHBondContact OD2-OG 3.18Å; D165-S167 VanDerWaalsContact OD2-OG 3.11Å; S167-F169 PolarHBondContact O-N 2.94Å; S167-D170 WeakPolarHBondContact O-CB 3.3Å; S167-D170 PolarHBondContact O-N 3.48Å
168W96.4Very high88.6Confident46 Ų4643.5 Ų43.517%0.17424%0.243CC..G310 helixtrans-59.2-28.4172.9-68.997000113.3P47 Y49 L69 A71 F84 D165 L166 D170P47-W168 HydrophobicContact CB-CH2 4.08Å; P47-W168 HydrophobicContact CB-CZ2 4.14Å; P47-W168 HydrophobicContact CB-CZ3 4.45Å; P47-W168 HydrophobicContact CG-CZ2 4.21Å; Y49-W168 WeakPolarHBondContact CE1-O 3.41Å; Y49-W168 AromaticContact CE2-CE3 3.95Å; Y49-W168 HydrophobicContact CE2-CE3 3.95Å; Y49-W168 HydrophobicContact CE2-CZ3 4.33Å; Y49-W168 PolarHBondContact OH-O 3.07Å; L69-W168 HydrophobicContact CB-CZ3 4.07Å; L69-W168 WeakPolarHBondContact O-CH2 3.33Å; A71-W168 HydrophobicContact CB-CE3 4.41Å; A71-W168 HydrophobicContact CB-CH2 4.47Å; A71-W168 HydrophobicContact CB-CZ3 3.79Å; F84-W168 HydrophobicContact CB-CB 4.48Å; F84-W168 HydrophobicContact CD1-CB 3.53Å; F84-W168 HydrophobicContact CD1-CG 4.11Å; F84-W168 HydrophobicContact CD2-CB 3.69Å; F84-W168 HydrophobicContact CD2-CD2 4.24Å; F84-W168 HydrophobicContact CD2-CE3 4.24Å; F84-W168 HydrophobicContact CD2-CG 4.05Å; F84-W168 HydrophobicContact CE1-CB 3.49Å; F84-W168 VanDerWaalsContact CE1-CB 3.49Å; F84-W168 AromaticContact CE1-CD1 3.68Å; F84-W168 HydrophobicContact CE1-CD2 4.35Å; F84-W168 AromaticContact CE1-CG 3.54Å; F84-W168 HydrophobicContact CE1-CG 3.54Å; F84-W168 HydrophobicContact CE2-CB 3.65Å; F84-W168 AromaticContact CE2-CD2 3.45Å; F84-W168 HydrophobicContact CE2-CD2 3.45Å; F84-W168 VanDerWaalsContact CE2-CD2 3.45Å; F84-W168 AromaticContact CE2-CE3 3.65Å; F84-W168 HydrophobicContact CE2-CE3 3.65Å; F84-W168 AromaticContact CE2-CG 3.46Å; F84-W168 HydrophobicContact CE2-CG 3.46Å; F84-W168 VanDerWaalsContact CE2-CG 3.46Å; F84-W168 HydrophobicContact CE2-CZ3 4.5Å; F84-W168 HydrophobicContact CG-CB 3.62Å; F84-W168 HydrophobicContact CG-CG 4.32Å; F84-W168 HydrophobicContact CZ-CB 3.55Å; F84-W168 AromaticContact CZ-CD1 3.44Å; F84-W168 VanDerWaalsContact CZ-CD1 3.44Å; F84-W168 AromaticContact CZ-CD2 3.52Å; F84-W168 HydrophobicContact CZ-CD2 3.52Å; F84-W168 AromaticContact CZ-CE2 3.95Å; F84-W168 HydrophobicContact CZ-CE3 4.2Å; F84-W168 AromaticContact CZ-CG 3.17Å; F84-W168 HydrophobicContact CZ-CG 3.17Å; F84-W168 AromaticContact CZ-NE1 3.9Å; D165-W168 PolarHBondContact OD2-NE1 2.98Å; L166-W168 PolarHBondContact O-N 3.26Å; W168-D170 VanDerWaalsContact C-N 3.32Å
169F94.6Very high87.1Confident12 Ų1247.3 Ų47.35%0.05328%0.283CS..G310 helixtrans-76.9-19177.1-69.7-88.7000112.9F84 T164 L166 S167 H171 I172 P174 V182F84-F169 HydrophobicContact CB-CD1 4.3Å; F84-F169 HydrophobicContact CB-CE1 4Å; F84-F169 HydrophobicContact CB-CE2 4.36Å; F84-F169 HydrophobicContact CB-CZ 4.04Å; F84-F169 HydrophobicContact CD1-CD2 4.4Å; F84-F169 AromaticContact CD1-CE2 3.91Å; F84-F169 HydrophobicContact CD1-CE2 3.91Å; F84-F169 HydrophobicContact CD1-CZ 4.2Å; T164-F169 HydrophobicContact CG2-CE2 4.49Å; L166-F169 HydrophobicContact CD2-CD2 4.1Å; L166-F169 HydrophobicContact CD2-CE2 4.09Å; L166-F169 WeakPolarHBondContact O-CB 3.08Å; L166-F169 PolarHBondContact O-N 3.31Å; S167-F169 PolarHBondContact O-N 2.94Å; F169-H171 PolarHBondContact O-N 2.95Å; F169-I172 HydrophobicContact CD1-CD1 4.13Å; F169-I172 WeakPolarHBondContact O-CG1 3.34Å; F169-I172 PolarHBondContact O-N 2.66Å; F169-P174 HydrophobicContact CD1-CB 4.45Å; F169-V182 HydrophobicContact CB-CG1 4.32Å; F169-V182 HydrophobicContact CB-CG2 3.6Å; F169-V182 HydrophobicContact CD1-CG1 3.78Å; F169-V182 HydrophobicContact CD1-CG2 4.37Å; F169-V182 HydrophobicContact CD2-CB 4.48Å; F169-V182 HydrophobicContact CD2-CG2 3.79Å; F169-V182 HydrophobicContact CE1-CG1 4.16Å; F169-V182 HydrophobicContact CG-CB 4.32Å; F169-V182 HydrophobicContact CG-CG1 3.96Å; F169-V182 HydrophobicContact CG-CG2 3.68Å
170D91.7Very high86.1Confident133 Ų13349.7 Ų49.771%0.71129%0.293SS*.G310 helixtrans-69.4-17.1179.2-60-26.2000112.2S167 W168S167-D170 WeakPolarHBondContact O-CB 3.3Å; S167-D170 PolarHBondContact O-N 3.48Å; W168-D170 VanDerWaalsContact C-N 3.32Å
171H91.3Very high85.8Confident81 Ų8151.3 Ų51.338%0.37531%0.31SS..G310 helixtrans-87.5-2.1177.8-58.9-63.2000114.2L66 L69 F169L66-H171 HydrophobicContact CD2-CB 3.59Å; L69-H171 HydrophobicContact CD1-CB 4.22Å; F169-H171 PolarHBondContact O-N 2.95Å
172I88.3Confident85.6Confident14 Ų1451.9 Ų51.97%0.07231%0.314CS..SBendtrans-135163.4-179.156.4164.7000110.9Y49 L66 I82 F84 F169 P174Y49-I172 HydrophobicContact CD1-CD1 4.11Å; Y49-I172 HydrophobicContact CD1-CG2 3.71Å; Y49-I172 HydrophobicContact CE1-CB 4.48Å; Y49-I172 HydrophobicContact CE1-CD1 4.01Å; Y49-I172 HydrophobicContact CE1-CG1 4.12Å; Y49-I172 HydrophobicContact CE1-CG2 3.55Å; L66-I172 HydrophobicContact CD1-CG2 3.92Å; L66-I172 HydrophobicContact CD2-CG2 4.28Å; I82-I172 HydrophobicContact CD1-CG2 3.8Å; I82-I172 HydrophobicContact CG1-CG2 4.35Å; I82-I172 HydrophobicContact CG2-CB 4.04Å; I82-I172 HydrophobicContact CG2-CD1 4.09Å; I82-I172 HydrophobicContact CG2-CG2 4.35Å; F84-I172 HydrophobicContact CB-CD1 4.5Å; F169-I172 HydrophobicContact CD1-CD1 4.13Å; F169-I172 WeakPolarHBondContact O-CG1 3.34Å; F169-I172 PolarHBondContact O-N 2.66Å; I172-P174 HydrophobicContact CD1-CB 4.35Å; I172-P174 WeakPolarHBondContact O-CD 3.41Å
173V82.1Confident85.6Confident70 Ų7051.9 Ų51.942%0.42431%0.314SS..  trans-102.589.1165.9-175.30000107.5Y58 C175 G176Y58-V173 PolarHBondContact OH-O 3.32Å; V173-C175 PolarHBondContact O-N 2.9Å; V173-G176 PolarHBondContact O-N 3.47Å
174P71.9Confident85.6Confident30 Ų3049.4 Ų49.420%0.19530%0.301CS..G310 helixtrans-63.1132.9-175.125.5-32.1000109.9F169 I172 G176 V182F169-P174 HydrophobicContact CD1-CB 4.45Å; I172-P174 HydrophobicContact CD1-CB 4.35Å; I172-P174 WeakPolarHBondContact O-CD 3.41Å; P174-G176 PolarHBondContact O-N 2.87Å; P174-V182 HydrophobicContact CG-CG1 4.37Å
175C66.7Low85.6Confident43 Ų4349.1 Ų49.129%0.29130%0.299SS..G310 helixtrans57.99.5-178.6-580000116.3L81 K141 V173 I177L81-C175 VanDerWaalsContact CD1-O 3.3Å; L81-C175 WeakPolarHBondContact CD1-O 3.23Å; K141-C175 PolarHBondContact NZ-SG 2.81Å; V173-C175 PolarHBondContact O-N 2.9Å; C175-I177 HydrophobicContact CB-CD1 3.81Å; C175-I177 HydrophobicContact CB-CG1 4.42Å; C175-I177 PolarHBondContact O-N 3.36Å
176G65.8Low85.6Confident52 Ų5246 Ų4654%0.53628%0.283SS..G310 helixtrans68.716.717600000114.6V173 P174V173-G176 PolarHBondContact O-N 3.47Å; P174-G176 PolarHBondContact O-N 2.87Å
177I65.1Low85.7Confident30 Ų3051.4 Ų51.415%0.15430%0.303CS..  trans-105111.6-176.1-54.3149.9000108.6H132 W136 C175 K180H132-I177 HydrophobicContact CB-CD1 3.85Å; H132-I177 WeakPolarHBondContact ND1-CD1 3.41Å; W136-I177 HydrophobicContact CH2-CD1 4.33Å; C175-I177 HydrophobicContact CB-CD1 3.81Å; C175-I177 HydrophobicContact CB-CG1 4.42Å; C175-I177 PolarHBondContact O-N 3.36Å; I177-K180 HydrophobicContact CB-CB 4.44Å; I177-K180 HydrophobicContact CD1-CD 4.48Å; I177-K180 HydrophobicContact CG2-CB 4.05Å; I177-K180 HydrophobicContact CG2-CD 3.76Å; I177-K180 HydrophobicContact CG2-CG 3.72Å
178Q64.1Low85.8Confident183 Ų18352 Ų5286%0.85530%0.301SS*.THydrogen-bonded Turntrans-70.2140.1171.9-72.3-177.9-34.500110.3K180Q178-K180 PolarHBondContact O-N 2.96Å
179G66Low85.9Confident84 Ų8452.2 Ų52.287%0.86631%0.305SS*.THydrogen-bonded Turntrans85.7-4.6176.700000115.9
180K79.8Confident86.1Confident54 Ų5459.6 Ų59.624%0.23534%0.34CS..  trans-102.7130.8173.3-69.1-164.4-178.5178.20111.2H132 W136 I177 Q178H132-K180 PolarHBondContact CD2-NZ 3.03Å; H132-K180 PolarHBondContact NE2-NZ 3.42Å; W136-K180 HydrophobicContact CH2-CB 4.39Å; W136-K180 HydrophobicContact CH2-CD 3.89Å; W136-K180 HydrophobicContact CZ3-CB 3.98Å; W136-K180 HydrophobicContact CZ3-CD 3.74Å; W136-K180 HydrophobicContact CZ3-CG 4.38Å; I177-K180 HydrophobicContact CB-CB 4.44Å; I177-K180 HydrophobicContact CD1-CD 4.48Å; I177-K180 HydrophobicContact CG2-CB 4.05Å; I177-K180 HydrophobicContact CG2-CD 3.76Å; I177-K180 HydrophobicContact CG2-CG 3.72Å; Q178-K180 PolarHBondContact O-N 2.96Å
181G90.7Very high86.4Confident34 Ų3458.5 Ų58.535%0.35133%0.326SS..EExtended strand (participates in β ladder)trans-96.3-175.6-176.300000113.5D139 K140 K141D139-G181 PolarHBondContact O-N 2.93Å; K140-G181 CarbonylContact C-O 3.44Å; K140-G181 WeakPolarHBondContact CA-O 3.45Å; K141-G181 PolarHBondContact N-O 3.07Å
182V96Very high86.8Confident17 Ų1760 Ų6010%0.10334%0.337CS..EExtended strand (participates in β ladder)trans-117.6153.9165.6-65.50000110.2K141 L166 F169 P174K141-V182 HydrophobicContact CB-CG1 4.47Å; K141-V182 CarbonylContact O-C 3.57Å; K141-V182 WeakPolarHBondContact O-CA 3.31Å; L166-V182 HydrophobicContact CB-CG2 4.32Å; L166-V182 HydrophobicContact CD2-CB 4.5Å; L166-V182 HydrophobicContact CD2-CG2 4.01Å; F169-V182 HydrophobicContact CB-CG1 4.32Å; F169-V182 HydrophobicContact CB-CG2 3.6Å; F169-V182 HydrophobicContact CD1-CG1 3.78Å; F169-V182 HydrophobicContact CD1-CG2 4.37Å; F169-V182 HydrophobicContact CD2-CB 4.48Å; F169-V182 HydrophobicContact CD2-CG2 3.79Å; F169-V182 HydrophobicContact CE1-CG1 4.16Å; F169-V182 HydrophobicContact CG-CB 4.32Å; F169-V182 HydrophobicContact CG-CG1 3.96Å; F169-V182 HydrophobicContact CG-CG2 3.68Å; P174-V182 HydrophobicContact CG-CG1 4.37Å
183T98.1Very high87.3Confident0 Ų059.4 Ų59.40%033%0.333CS..  trans-138.8178.8171.8-160.20000110.8V137 K140 K141 I142 N161 R187 E188V137-T183 HydrophobicContact CB-CG2 4.19Å; V137-T183 HydrophobicContact CG2-CG2 4.27Å; K140-T183 HydrophobicContact CB-CG2 3.94Å; K141-T183 PolarHBondContact O-N 3.47Å; I142-T183 HydrophobicContact CB-CG2 3.79Å; I142-T183 HydrophobicContact CD1-CG2 4.33Å; I142-T183 HydrophobicContact CG1-CG2 4.05Å; N161-T183 WeakPolarHBondContact CB-O 3.36Å; N161-T183 PolarHBondContact ND2-O 3.35Å; T183-R187 WeakPolarHBondContact OG1-CD 3.42Å; T183-E188 WeakPolarHBondContact CB-OE1 3.27Å; T183-E188 HydrophobicContact CG2-CG 3.9Å; T183-E188 WeakPolarHBondContact CG2-OE1 3.4Å; T183-E188 PolarHBondContact OG1-OE1 2.79Å
184S98.8Very high88.1Confident5 Ų556.9 Ų56.94%0.03532%0.322CS..  trans-143.1160.8179.270.80000110.4N161 C162 S186 R187 E188N161-S184 CarbonylContact O-C 3.07Å; N161-S184 WeakPolarHBondContact O-CA 3.49Å; N161-S184 WeakPolarHBondContact O-CB 3.25Å; C162-S184 VanDerWaalsContact O-CB 3.25Å; C162-S184 WeakPolarHBondContact O-CB 3.08Å; C162-S184 PolarHBondContact O-OG 2.67Å; S184-S186 PolarHBondContact O-N 3.32Å; S184-R187 PolarHBondContact O-N 3.49Å; S184-R187 VanDerWaalsContact O-N 3.16Å; S184-R187 WeakPolarHBondContact OG-CB 3.5Å; S184-R187 PolarHBondContact OG-N 3.31Å; S184-R187 VanDerWaalsContact OG-N 3.14Å; S184-E188 WeakPolarHBondContact O-CG 3.44Å; S184-E188 PolarHBondContact O-N 3.36Å
185L98.9Very high89.3Confident0 Ų056 Ų560%032%0.315CS..Hα-helixtrans-53.4-42.6173.9-68.9173.8000111.1L119 F123 I142 L160 N161 C162 R187 E188 L189 V193 A198L119-L185 HydrophobicContact CD2-CD1 4.3Å; L119-L185 HydrophobicContact CD2-CD2 4.37Å; F123-L185 HydrophobicContact CD2-CD1 4.36Å; F123-L185 HydrophobicContact CD2-CD2 4.17Å; F123-L185 HydrophobicContact CE2-CD1 4.08Å; F123-L185 HydrophobicContact CG-CD2 4.36Å; F123-L185 HydrophobicContact CZ-CD1 4.37Å; I142-L185 HydrophobicContact CD1-CD2 3.95Å; I142-L185 HydrophobicContact CD1-CG 4.35Å; L160-L185 HydrophobicContact CD2-CD1 4.15Å; N161-L185 PolarHBondContact O-N 3.13Å; C162-L185 HydrophobicContact CB-CD1 4.47Å; C162-L185 PolarHBondContact O-N 3.02Å; L185-R187 PolarHBondContact O-N 3.15Å; L185-E188 PolarHBondContact O-N 3.18Å; L185-L189 VanDerWaalsContact O-CB 3.32Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.16Å; L185-V193 HydrophobicContact CB-CB 3.87Å; L185-V193 HydrophobicContact CB-CG1 3.78Å; L185-V193 HydrophobicContact CB-CG2 4.29Å; L185-V193 HydrophobicContact CD1-CG1 3.79Å; L185-V193 HydrophobicContact CG-CG1 4.43Å; L185-A198 HydrophobicContact CD1-CB 3.98Å
186S98.9Very high90.9Very high19 Ų1959.9 Ų59.913%0.13333%0.33CS..Hα-helixtrans-65.6-39-179-57.40000112.8C162 N163 S184 Q190 R191 V193C162-S186 WeakPolarHBondContact O-CB 3.4Å; C162-S186 PolarHBondContact O-N 3.46Å; C162-S186 PolarHBondContact O-OG 3.38Å; N163-S186 VanDerWaalsContact CA-OG 3.26Å; N163-S186 WeakPolarHBondContact CA-OG 3.35Å; N163-S186 WeakPolarHBondContact CB-OG 3.15Å; S184-S186 PolarHBondContact O-N 3.32Å; S186-Q190 WeakPolarHBondContact O-CA 3.28Å; S186-Q190 PolarHBondContact O-N 2.86Å; S186-R191 CarbonylContact C-O 3.57Å; S186-R191 WeakPolarHBondContact CA-O 3.46Å; S186-R191 WeakPolarHBondContact CB-O 3.29Å; S186-R191 PolarHBondContact O-N 3.16Å; S186-R191 PolarHBondContact OG-O 2.99Å; S186-V193 PolarHBondContact OG-N 3.17Å; S186-V193 PolarHBondContact OG-O 3.38Å
187R98.6Very high92.4Very high124 Ų12460.9 Ų60.947%0.46832%0.32SS..Hα-helixtrans-68.1-41.5176.3178173.8-78.4-179-2.6111.5L166 T183 S184 L185 Q190L166-R187 HydrophobicContact CD1-CB 4.47Å; T183-R187 WeakPolarHBondContact OG1-CD 3.42Å; S184-R187 PolarHBondContact O-N 3.49Å; S184-R187 VanDerWaalsContact O-N 3.16Å; S184-R187 WeakPolarHBondContact OG-CB 3.5Å; S184-R187 PolarHBondContact OG-N 3.31Å; S184-R187 VanDerWaalsContact OG-N 3.14Å; L185-R187 PolarHBondContact O-N 3.15Å; R187-Q190 PolarHBondContact O-NE2 3.28Å
188E98.6Very high94Very high61 Ų6159.4 Ų59.429%0.28531%0.313SS..Hα-helixtrans-71.9-31.9179.6-63.1-54.9140.200112.5V125 V137 T183 S184 L185V125-E188 HydrophobicContact CG1-CB 4.23Å; V125-E188 HydrophobicContact CG1-CG 4.3Å; V125-E188 HydrophobicContact CG2-CB 4.07Å; V137-E188 HydrophobicContact CG1-CG 4.33Å; V137-E188 HydrophobicContact CG2-CG 4.4Å; T183-E188 WeakPolarHBondContact CB-OE1 3.27Å; T183-E188 HydrophobicContact CG2-CG 3.9Å; T183-E188 WeakPolarHBondContact CG2-OE1 3.4Å; T183-E188 PolarHBondContact OG1-OE1 2.79Å; S184-E188 WeakPolarHBondContact O-CG 3.44Å; S184-E188 PolarHBondContact O-N 3.36Å; L185-E188 PolarHBondContact O-N 3.18Å
189L98.5Very high95.7Very high50 Ų5050.9 Ų50.926%0.26227%0.273SS..Hα-helixtrans-95.2-5.3-178.6-66.5173.7000115F123 V125 L185 R191 V193F123-L189 HydrophobicContact CB-CD1 4.01Å; F123-L189 HydrophobicContact CD1-CD1 3.73Å; F123-L189 HydrophobicContact CG-CD1 4.21Å; F123-L189 WeakPolarHBondContact O-CD2 3.41Å; V125-L189 HydrophobicContact CG2-CD1 4.48Å; V125-L189 HydrophobicContact CG2-CD2 3.92Å; V125-L189 HydrophobicContact CG2-CG 4Å; L185-L189 VanDerWaalsContact O-CB 3.32Å; L185-L189 WeakPolarHBondContact O-CB 3.47Å; L185-L189 WeakPolarHBondContact O-CG 3.32Å; L185-L189 PolarHBondContact O-N 3.16Å; L189-R191 HydrophobicContact CB-CG 4.07Å; L189-R191 PolarHBondContact O-N 3.24Å; L189-V193 HydrophobicContact CB-CG2 4.28Å; L189-V193 HydrophobicContact CD1-CG2 3.6Å
190Q98.3Very high97.2Very high168 Ų16850.1 Ų50.179%0.78525%0.253SS*.THydrogen-bonded Turntrans54.833.2-178.3-59.1-67.7-59.300113.6S186 R187S186-Q190 WeakPolarHBondContact O-CA 3.28Å; S186-Q190 PolarHBondContact O-N 2.86Å; R187-Q190 PolarHBondContact O-NE2 3.28Å
191R98.5Very high98.1Very high110 Ų11050 Ų5042%0.41525%0.253SS..SBendtrans-149.7162.8173.967.1173.9-177.487.5-7.3109.7S186 L189 V193 E197S186-R191 CarbonylContact C-O 3.57Å; S186-R191 WeakPolarHBondContact CA-O 3.46Å; S186-R191 WeakPolarHBondContact CB-O 3.29Å; S186-R191 PolarHBondContact O-N 3.16Å; S186-R191 PolarHBondContact OG-O 2.99Å; L189-R191 HydrophobicContact CB-CG 4.07Å; L189-R191 PolarHBondContact O-N 3.24Å; R191-V193 HydrophobicContact CG-CG2 4.03Å; R191-V193 PolarHBondContact O-N 3.23Å; R191-E197 IonicContact CZ-OE1 3.33Å; R191-E197 IonicContact CZ-OE2 3.89Å; R191-E197 IonicContact NH1-OE1 2.91Å; R191-E197 PolarHBondContact NH1-OE1 3.34Å; R191-E197 IonicContact NH1-OE2 3.89Å; R191-E197 PolarHBondContact NH1-OE2 3.37Å; R191-E197 IonicContact NH2-OE1 3.12Å; R191-E197 PolarHBondContact NH2-OE1 2.92Å; R191-E197 IonicContact NH2-OE2 2.79Å
192D98.6Very high98.5Very high113 Ų11348.5 Ų48.560%0.60424%0.237SC*.  trans-67.4125.2172-170.639.1000110.3N163N163-D192 WeakPolarHBondContact CB-OD1 3.49Å; N163-D192 PolarHBondContact ND2-OD1 3.05Å
193V98.8Very high98.6Very high0 Ų048.4 Ų48.40%024%0.236CC..  trans-129.695.4175.7-176.30000106.7F123 C162 N163 L185 S186 L189 R191 E197F123-V193 HydrophobicContact CD1-CG1 4.39Å; F123-V193 HydrophobicContact CE1-CG1 3.72Å; F123-V193 HydrophobicContact CZ-CG1 4.01Å; C162-V193 CarbonylContact C-O 3.44Å; C162-V193 VanDerWaalsContact CB-O 3.26Å; C162-V193 WeakPolarHBondContact CB-O 3.48Å; N163-V193 PolarHBondContact N-O 2.92Å; N163-V193 VanDerWaalsContact N-O 3.11Å; L185-V193 HydrophobicContact CB-CB 3.87Å; L185-V193 HydrophobicContact CB-CG1 3.78Å; L185-V193 HydrophobicContact CB-CG2 4.29Å; L185-V193 HydrophobicContact CD1-CG1 3.79Å; L185-V193 HydrophobicContact CG-CG1 4.43Å; S186-V193 PolarHBondContact OG-N 3.17Å; S186-V193 PolarHBondContact OG-O 3.38Å; L189-V193 HydrophobicContact CB-CG2 4.28Å; L189-V193 HydrophobicContact CD1-CG2 3.6Å; R191-V193 HydrophobicContact CG-CG2 4.03Å; R191-V193 PolarHBondContact O-N 3.23Å; V193-E197 HydrophobicContact CG1-CB 4.5Å
194G98.7Very high98.7Very high18 Ų1850.8 Ų50.819%0.18625%0.249CC..  trans-77.3170.6-176.800000114E196 E197 A198G194-E196 VanDerWaalsContact C-N 3.32Å; G194-E196 PolarHBondContact O-N 2.94Å; G194-E197 PolarHBondContact O-N 3.25Å; G194-A198 PolarHBondContact O-N 2.93Å
195V98.8Very high98.6Very high10 Ų1050.6 Ų50.66%0.06125%0.247CC..Hα-helixtrans-58.3-43.8176.5169.80000111.8Q44 L90 C162 E197 A198 V199Q44-V195 HydrophobicContact CG-CB 4.39Å; Q44-V195 HydrophobicContact CG-CG1 4.18Å; Q44-V195 HydrophobicContact CG-CG2 3.94Å; L90-V195 HydrophobicContact CB-CG1 3.99Å; L90-V195 HydrophobicContact CB-CG2 4.12Å; L90-V195 HydrophobicContact CD1-CG1 3.86Å; L90-V195 HydrophobicContact CG-CG1 4.37Å; C162-V195 HydrophobicContact CB-CG2 4.15Å; V195-E197 VanDerWaalsContact C-N 3.27Å; V195-E197 PolarHBondContact O-N 3.18Å; V195-A198 PolarHBondContact O-N 2.84Å; V195-V199 HydrophobicContact CG1-CG2 4.11Å; V195-V199 WeakPolarHBondContact O-CG2 3.36Å; V195-V199 PolarHBondContact O-N 2.82Å
196E98.4Very high98.6Very high126 Ų12650.7 Ų50.759%0.58925%0.247SC*.Hα-helixtrans-61.5-34.2-179.2-60.9-51.9138.800113G194 P200G194-E196 VanDerWaalsContact C-N 3.32Å; G194-E196 PolarHBondContact O-N 2.94Å; E196-P200 WeakPolarHBondContact O-CD 3.34Å
197E98.7Very high98.6Very high72 Ų7254.7 Ų54.734%0.33626%0.259SS..Hα-helixtrans-70.3-36.1175-168.3-177.9165.400111.4F123 R191 V193 G194 V195 H201F123-E197 HydrophobicContact CE1-CG 4.1Å; F123-E197 WeakPolarHBondContact CE1-OE1 3.36Å; F123-E197 HydrophobicContact CZ-CG 4.17Å; R191-E197 IonicContact CZ-OE1 3.33Å; R191-E197 IonicContact CZ-OE2 3.89Å; R191-E197 IonicContact NH1-OE1 2.91Å; R191-E197 PolarHBondContact NH1-OE1 3.34Å; R191-E197 IonicContact NH1-OE2 3.89Å; R191-E197 PolarHBondContact NH1-OE2 3.37Å; R191-E197 IonicContact NH2-OE1 3.12Å; R191-E197 PolarHBondContact NH2-OE1 2.92Å; R191-E197 IonicContact NH2-OE2 2.79Å; V193-E197 HydrophobicContact CG1-CB 4.5Å; G194-E197 PolarHBondContact O-N 3.25Å; V195-E197 VanDerWaalsContact C-N 3.27Å; V195-E197 PolarHBondContact O-N 3.18Å; E197-H201 PolarHBondContact O-CD2 3.02Å; E197-H201 VanDerWaalsContact O-CD2 3.27Å
198A98.8Very high98.6Very high0 Ų053.3 Ų53.30%026%0.258CS..Hα-helixtrans-76-28.8-178.700000113.8L90 L160 C162 L185 G194 V195 H201 L202L90-A198 HydrophobicContact CD2-CB 4.12Å; L160-A198 HydrophobicContact CD2-CB 4.41Å; C162-A198 VanDerWaalsContact SG-CB 3.58Å; L185-A198 HydrophobicContact CD1-CB 3.98Å; G194-A198 PolarHBondContact O-N 2.93Å; V195-A198 PolarHBondContact O-N 2.84Å; A198-H201 PolarHBondContact O-N 2.97Å; A198-L202 PolarHBondContact O-N 3.49Å
199V98.8Very high98.5Very high4 Ų452.9 Ų52.92%0.02426%0.257CS..Hα-helixtrans-59.8-49.5-172.6168.20000113.5L42 L90 V195 H201 L202 L203L42-V199 HydrophobicContact CD1-CG1 3.55Å; L42-V199 HydrophobicContact CD1-CG2 4.24Å; L90-V199 HydrophobicContact CD1-CG2 3.84Å; L90-V199 HydrophobicContact CD2-CG2 3.86Å; V195-V199 HydrophobicContact CG1-CG2 4.11Å; V195-V199 WeakPolarHBondContact O-CG2 3.36Å; V195-V199 PolarHBondContact O-N 2.82Å; V199-H201 VanDerWaalsContact C-N 3.26Å; V199-H201 PolarHBondContact O-N 3.12Å; V199-L202 WeakPolarHBondContact O-CB 3.43Å; V199-L202 PolarHBondContact O-N 3.19Å; V199-L202 VanDerWaalsContact O-N 3.08Å; V199-L203 HydrophobicContact CG1-CD1 3.78Å; V199-L203 HydrophobicContact CG1-CG 4.12Å; V199-L203 WeakPolarHBondContact O-CG 3.48Å; V199-L203 PolarHBondContact O-N 3.25Å
200P98.6Very high98.5Very high67 Ų6750.9 Ų50.944%0.43525%0.246SC..Hα-helixtrans-55.8-41.3178.6-26.535000112.8E196 L203 D204E196-P200 WeakPolarHBondContact O-CD 3.34Å; P200-L203 PolarHBondContact O-N 3.31Å; P200-D204 PolarHBondContact O-N 3Å
201H98.7Very high98.4Very high53 Ų5346.2 Ų46.225%0.24523%0.231CC..Hα-helixtrans-68.2-35.2178-60.8-60.9000112.8L119 F123 E197 A198 V199 A205L119-H201 HydrophobicContact CD1-CB 4.39Å; L119-H201 HydrophobicContact CG-CB 3.87Å; F123-H201 HydrophobicContact CE2-CB 4.17Å; F123-H201 AromaticContact CE2-CD2 3.39Å; F123-H201 WeakPolarHBondContact CE2-CD2 3.4Å; F123-H201 AromaticContact CE2-CG 3.96Å; F123-H201 AromaticContact CZ-CD2 3.36Å; F123-H201 WeakPolarHBondContact CZ-CD2 3.33Å; F123-H201 AromaticContact CZ-NE2 3.92Å; E197-H201 PolarHBondContact O-CD2 3.02Å; E197-H201 VanDerWaalsContact O-CD2 3.27Å; A198-H201 PolarHBondContact O-N 2.97Å; V199-H201 VanDerWaalsContact C-N 3.26Å; V199-H201 PolarHBondContact O-N 3.12Å; H201-A205 VanDerWaalsContact O-CB 3.25Å; H201-A205 WeakPolarHBondContact O-CB 3.28Å; H201-A205 PolarHBondContact O-N 2.97Å; H201-A205 VanDerWaalsContact O-N 3.07Å
202L98.8Very high98.4Very high2 Ų241 Ų411%0.0121%0.212CC..Hα-helixtrans-62.9-47.6172.6-173.674.9000111.2L42 L90 C92 T115 L119 L158 A198 V199 A205 F206L42-L202 HydrophobicContact CD2-CD2 4.02Å; L90-L202 HydrophobicContact CD2-CB 4.32Å; L90-L202 HydrophobicContact CD2-CD2 3.82Å; L90-L202 HydrophobicContact CG-CD2 4.32Å; C92-L202 HydrophobicContact CB-CD2 3.83Å; T115-L202 HydrophobicContact CG2-CD1 3.89Å; L119-L202 HydrophobicContact CD1-CB 3.63Å; L119-L202 HydrophobicContact CD1-CD1 3.84Å; L119-L202 HydrophobicContact CD1-CG 4.37Å; L158-L202 HydrophobicContact CD1-CD1 4.35Å; L158-L202 HydrophobicContact CD2-CD1 4.36Å; A198-L202 PolarHBondContact O-N 3.49Å; V199-L202 WeakPolarHBondContact O-CB 3.43Å; V199-L202 PolarHBondContact O-N 3.19Å; V199-L202 VanDerWaalsContact O-N 3.08Å; L202-A205 PolarHBondContact O-N 3.28Å; L202-F206 WeakPolarHBondContact O-CB 3.43Å; L202-F206 PolarHBondContact O-N 3.05Å
203L98.8Very high98.3Very high15 Ų1541.8 Ų41.88%0.07921%0.206CC..Hα-helixtrans-65-44.4-177.6-66.2177.3000111.6V10 L40 L42 V199 P200 F206 R207 L214V10-L203 HydrophobicContact CG1-CD1 4.15Å; V10-L203 HydrophobicContact CG1-CD2 3.9Å; V10-L203 HydrophobicContact CG2-CD2 3.83Å; L40-L203 HydrophobicContact CD1-CD2 3.84Å; L42-L203 HydrophobicContact CD1-CD2 4.14Å; V199-L203 HydrophobicContact CG1-CD1 3.78Å; V199-L203 HydrophobicContact CG1-CG 4.12Å; V199-L203 WeakPolarHBondContact O-CG 3.48Å; V199-L203 PolarHBondContact O-N 3.25Å; P200-L203 PolarHBondContact O-N 3.31Å; L203-F206 PolarHBondContact O-N 3.31Å; L203-R207 WeakPolarHBondContact O-CB 3.43Å; L203-R207 PolarHBondContact O-N 3.2Å; L203-L214 HydrophobicContact CB-CD1 3.81Å; L203-L214 HydrophobicContact CD2-CD1 4.05Å; L203-L214 HydrophobicContact CG-CD1 4.48Å; L203-L214 VanDerWaalsContact O-CD1 3.31Å; L203-L214 WeakPolarHBondContact O-CD1 3.48Å
204D98.5Very high98.3Very high50 Ų5044 Ų4427%0.26722%0.218SC..Hα-helixtrans-60.4-49.9175.4-83.1-21.5000111.9R122 P200 F206 R207 E208R122-D204 IonicContact NH1-OD2 3.92Å; P200-D204 PolarHBondContact O-N 3Å; D204-F206 VanDerWaalsContact C-N 3.32Å; D204-F206 PolarHBondContact O-N 2.9Å; D204-R207 WeakPolarHBondContact O-CB 3.32Å; D204-R207 PolarHBondContact O-N 3.47Å; D204-R207 IonicContact OD1-CZ 3.66Å; D204-R207 IonicContact OD1-NH1 3.54Å; D204-R207 IonicContact OD1-NH2 3.39Å; D204-R207 PolarHBondContact OD1-NH2 2.89Å; D204-E208 WeakPolarHBondContact O-CG 3.37Å; D204-E208 PolarHBondContact O-N 2.72Å; D204-E208 VanDerWaalsContact O-N 3.09Å
205A98.7Very high98.2Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-63.9-37.5178.600000112T115 A118 H201 L202 Q209T115-A205 HydrophobicContact CG2-CB 3.99Å; T115-A205 WeakPolarHBondContact O-CB 3.47Å; A118-A205 HydrophobicContact CB-CB 3.95Å; H201-A205 VanDerWaalsContact O-CB 3.25Å; H201-A205 WeakPolarHBondContact O-CB 3.28Å; H201-A205 PolarHBondContact O-N 2.97Å; H201-A205 VanDerWaalsContact O-N 3.07Å; L202-A205 PolarHBondContact O-N 3.28Å; A205-Q209 WeakPolarHBondContact O-CB 3.39Å; A205-Q209 VanDerWaalsContact O-CG 3.22Å; A205-Q209 WeakPolarHBondContact O-CG 3.28Å; A205-Q209 PolarHBondContact O-N 3.38Å
206F98.7Very high98.1Very high2 Ų250.5 Ų50.51%0.00925%0.247CC..Hα-helixtrans-65.4-46.4176.3-172.8-83000111L40 P94 L96 L112 T115 L202 L203 D204 E208 Q209 F210 L214L40-F206 HydrophobicContact CD1-CB 4.49Å; L40-F206 HydrophobicContact CD1-CD1 3.75Å; L40-F206 HydrophobicContact CD1-CD2 4.3Å; L40-F206 HydrophobicContact CD1-CE1 4.02Å; L40-F206 HydrophobicContact CD1-CG 3.91Å; L40-F206 HydrophobicContact CD1-CZ 4.41Å; L40-F206 HydrophobicContact CD2-CD1 4.44Å; L40-F206 HydrophobicContact CD2-CD2 4.26Å; L40-F206 HydrophobicContact CD2-CE1 3.96Å; L40-F206 HydrophobicContact CD2-CE2 3.76Å; L40-F206 HydrophobicContact CD2-CZ 3.61Å; L40-F206 HydrophobicContact CG-CE1 4.32Å; L40-F206 HydrophobicContact CG-CZ 4.45Å; P94-F206 HydrophobicContact CB-CE2 4.18Å; P94-F206 HydrophobicContact CB-CZ 4.39Å; P94-F206 HydrophobicContact CG-CE2 4.16Å; L96-F206 HydrophobicContact CD1-CZ 3.93Å; L96-F206 HydrophobicContact CD2-CZ 4.45Å; L112-F206 HydrophobicContact CD2-CE2 4.29Å; T115-F206 HydrophobicContact CG2-CB 3.97Å; T115-F206 HydrophobicContact CG2-CD2 4.42Å; L202-F206 WeakPolarHBondContact O-CB 3.43Å; L202-F206 PolarHBondContact O-N 3.05Å; L203-F206 PolarHBondContact O-N 3.31Å; D204-F206 VanDerWaalsContact C-N 3.32Å; D204-F206 PolarHBondContact O-N 2.9Å; F206-E208 VanDerWaalsContact C-N 3.28Å; F206-E208 PolarHBondContact O-N 3.23Å; F206-Q209 PolarHBondContact O-N 3.35Å; F206-F210 HydrophobicContact CD1-CB 4.3Å; F206-F210 HydrophobicContact CD1-CD2 4.12Å; F206-F210 HydrophobicContact CD1-CG 4.38Å; F206-F210 AromaticContact CD2-CD2 3.6Å; F206-F210 HydrophobicContact CD2-CD2 3.6Å; F206-F210 AromaticContact CD2-CE2 3.68Å; F206-F210 HydrophobicContact CD2-CE2 3.68Å; F206-F210 HydrophobicContact CD2-CG 4.46Å; F206-F210 HydrophobicContact CE1-CB 3.91Å; F206-F210 AromaticContact CE1-CD2 3.95Å; F206-F210 HydrophobicContact CE1-CD2 3.95Å; F206-F210 AromaticContact CE1-CG 3.87Å; F206-F210 HydrophobicContact CE1-CG 3.87Å; F206-F210 HydrophobicContact CE2-CD1 4.4Å; F206-F210 AromaticContact CE2-CD2 3.39Å; F206-F210 HydrophobicContact CE2-CD2 3.39Å; F206-F210 HydrophobicContact CE2-CE1 4.34Å; F206-F210 AromaticContact CE2-CE2 3.33Å; F206-F210 HydrophobicContact CE2-CE2 3.33Å; F206-F210 AromaticContact CE2-CG 3.95Å; F206-F210 HydrophobicContact CE2-CG 3.95Å; F206-F210 AromaticContact CE2-CZ 3.84Å; F206-F210 HydrophobicContact CE2-CZ 3.84Å; F206-F210 AromaticContact CG-CD2 3.96Å; F206-F210 HydrophobicContact CG-CD2 3.96Å; F206-F210 HydrophobicContact CG-CE2 4.48Å; F206-F210 HydrophobicContact CZ-CB 4.17Å; F206-F210 AromaticContact CZ-CD1 3.98Å; F206-F210 HydrophobicContact CZ-CD1 3.98Å; F206-F210 AromaticContact CZ-CD2 3.56Å; F206-F210 HydrophobicContact CZ-CD2 3.56Å; F206-F210 HydrophobicContact CZ-CE1 4.26Å; F206-F210 AromaticContact CZ-CE2 3.88Å; F206-F210 HydrophobicContact CZ-CE2 3.88Å; F206-F210 AromaticContact CZ-CG 3.61Å; F206-F210 HydrophobicContact CZ-CG 3.61Å; F206-F210 HydrophobicContact CZ-CZ 4.21Å; F206-F210 WeakPolarHBondContact O-CB 3.3Å; F206-F210 PolarHBondContact O-N 3.04Å; F206-L214 HydrophobicContact CD1-CD2 4.25Å
207R98.2Very high97.8Very high103 Ų10345.9 Ų45.939%0.38923%0.231SC..Hα-helixtrans-54.6-45.9177.4-175.7-177.161.2-152.2-12.6111.6L203 D204 S211 C212 L214L203-R207 WeakPolarHBondContact O-CB 3.43Å; L203-R207 PolarHBondContact O-N 3.2Å; D204-R207 WeakPolarHBondContact O-CB 3.32Å; D204-R207 PolarHBondContact O-N 3.47Å; D204-R207 IonicContact OD1-CZ 3.66Å; D204-R207 IonicContact OD1-NH1 3.54Å; D204-R207 IonicContact OD1-NH2 3.39Å; D204-R207 PolarHBondContact OD1-NH2 2.89Å; R207-S211 VanDerWaalsContact O-CA 3.31Å; R207-S211 WeakPolarHBondContact O-CA 3.44Å; R207-S211 PolarHBondContact O-N 2.87Å; R207-C212 VanDerWaalsContact CG-O 3.26Å; R207-C212 WeakPolarHBondContact CG-O 3.29Å; R207-C212 PolarHBondContact O-N 3.29Å; R207-L214 HydrophobicContact CB-CD1 4.06Å; R207-L214 HydrophobicContact CB-CG 4.27Å
208E97.7Very high97.1Very high95 Ų9551.1 Ų51.144%0.44426%0.255SS..Hα-helixtrans-65.6-54.5178.7-71.2162.4-16900111.4R122 D204 F206 F210 S211R122-E208 IonicContact CZ-OE1 3.06Å; R122-E208 IonicContact NH2-OE1 2.69Å; R122-E208 PolarHBondContact NH2-OE1 3.05Å; R122-E208 IonicContact NH2-OE2 3.69Å; R122-E208 PolarHBondContact NH2-OE2 3.46Å; D204-E208 WeakPolarHBondContact O-CG 3.37Å; D204-E208 PolarHBondContact O-N 2.72Å; D204-E208 VanDerWaalsContact O-N 3.09Å; F206-E208 VanDerWaalsContact C-N 3.28Å; F206-E208 PolarHBondContact O-N 3.23Å; E208-F210 PolarHBondContact O-N 3.15Å; E208-S211 PolarHBondContact O-N 3.45Å
209Q98Very high96Very high53 Ų5354 Ų5425%0.24827%0.273CS..Hα-helixtrans-66.5-38.1-175.1-66.3-59.4-17.300112.9Q111 K114 T115 A205 F206Q111-Q209 PolarHBondContact NE2-O 3.09Å; K114-Q209 HydrophobicContact CB-CG 4.13Å; T115-Q209 WeakPolarHBondContact OG1-CB 3.31Å; A205-Q209 WeakPolarHBondContact O-CB 3.39Å; A205-Q209 VanDerWaalsContact O-CG 3.22Å; A205-Q209 WeakPolarHBondContact O-CG 3.28Å; A205-Q209 PolarHBondContact O-N 3.38Å; F206-Q209 PolarHBondContact O-N 3.35Å
210F97.8Very high94.5Very high7 Ų755.8 Ų55.83%0.03128%0.284CS..Hα-helixtrans-89.4-4.4179.2-75.8-96.8000113.2L96 F101 W107 Y108 Q111 L112 F206 E208 C212L96-F210 HydrophobicContact CD1-CD1 4.15Å; L96-F210 HydrophobicContact CD1-CE1 3.88Å; F101-F210 HydrophobicContact CD1-CB 4.48Å; F101-F210 HydrophobicContact CD1-CD1 4.2Å; F101-F210 HydrophobicContact CE1-CB 4.12Å; F101-F210 HydrophobicContact CE1-CD1 4.25Å; W107-F210 AromaticContact CH2-CD1 3.95Å; W107-F210 HydrophobicContact CH2-CD1 3.95Å; W107-F210 HydrophobicContact CH2-CE1 4.06Å; W107-F210 HydrophobicContact CZ3-CD1 4.41Å; W107-F210 HydrophobicContact CZ3-CE1 4.12Å; Y108-F210 AromaticContact CD2-CE1 3.74Å; Y108-F210 HydrophobicContact CD2-CE1 3.74Å; Y108-F210 AromaticContact CD2-CZ 3.82Å; Y108-F210 HydrophobicContact CD2-CZ 3.82Å; Y108-F210 AromaticContact CE2-CE1 4Å; Y108-F210 HydrophobicContact CE2-CE1 4Å; Y108-F210 AromaticContact CE2-CZ 3.9Å; Y108-F210 HydrophobicContact CE2-CZ 3.9Å; Q111-F210 HydrophobicContact CB-CD2 4.3Å; Q111-F210 HydrophobicContact CB-CE1 4.11Å; Q111-F210 HydrophobicContact CB-CE2 3.61Å; Q111-F210 HydrophobicContact CB-CZ 3.5Å; Q111-F210 VanDerWaalsContact CB-CZ 3.5Å; L112-F210 HydrophobicContact CD2-CE2 4.04Å; L112-F210 HydrophobicContact CD2-CZ 3.85Å; L112-F210 HydrophobicContact CG-CZ 4.4Å; F206-F210 HydrophobicContact CD1-CB 4.3Å; F206-F210 HydrophobicContact CD1-CD2 4.12Å; F206-F210 HydrophobicContact CD1-CG 4.38Å; F206-F210 AromaticContact CD2-CD2 3.6Å; F206-F210 HydrophobicContact CD2-CD2 3.6Å; F206-F210 AromaticContact CD2-CE2 3.68Å; F206-F210 HydrophobicContact CD2-CE2 3.68Å; F206-F210 HydrophobicContact CD2-CG 4.46Å; F206-F210 HydrophobicContact CE1-CB 3.91Å; F206-F210 AromaticContact CE1-CD2 3.95Å; F206-F210 HydrophobicContact CE1-CD2 3.95Å; F206-F210 AromaticContact CE1-CG 3.87Å; F206-F210 HydrophobicContact CE1-CG 3.87Å; F206-F210 HydrophobicContact CE2-CD1 4.4Å; F206-F210 AromaticContact CE2-CD2 3.39Å; F206-F210 HydrophobicContact CE2-CD2 3.39Å; F206-F210 HydrophobicContact CE2-CE1 4.34Å; F206-F210 AromaticContact CE2-CE2 3.33Å; F206-F210 HydrophobicContact CE2-CE2 3.33Å; F206-F210 AromaticContact CE2-CG 3.95Å; F206-F210 HydrophobicContact CE2-CG 3.95Å; F206-F210 AromaticContact CE2-CZ 3.84Å; F206-F210 HydrophobicContact CE2-CZ 3.84Å; F206-F210 AromaticContact CG-CD2 3.96Å; F206-F210 HydrophobicContact CG-CD2 3.96Å; F206-F210 HydrophobicContact CG-CE2 4.48Å; F206-F210 HydrophobicContact CZ-CB 4.17Å; F206-F210 AromaticContact CZ-CD1 3.98Å; F206-F210 HydrophobicContact CZ-CD1 3.98Å; F206-F210 AromaticContact CZ-CD2 3.56Å; F206-F210 HydrophobicContact CZ-CD2 3.56Å; F206-F210 HydrophobicContact CZ-CE1 4.26Å; F206-F210 AromaticContact CZ-CE2 3.88Å; F206-F210 HydrophobicContact CZ-CE2 3.88Å; F206-F210 AromaticContact CZ-CG 3.61Å; F206-F210 HydrophobicContact CZ-CG 3.61Å; F206-F210 HydrophobicContact CZ-CZ 4.21Å; F206-F210 WeakPolarHBondContact O-CB 3.3Å; F206-F210 PolarHBondContact O-N 3.04Å; E208-F210 PolarHBondContact O-N 3.15Å; F210-C212 HydrophobicContact CB-CB 4.44Å; F210-C212 PolarHBondContact O-N 3.18Å
211S97.1Very high92.5Very high70 Ų7059.9 Ų59.949%0.4930%0.298SS..THydrogen-bonded Turntrans49.246.3-177.2-66.40000112.1R5 R207 E208R5-S211 WeakPolarHBondContact CB-O 3.47Å; R5-S211 WeakPolarHBondContact CD-O 3.5Å; R5-S211 VanDerWaalsContact CG-O 3.31Å; R5-S211 WeakPolarHBondContact CG-O 3.4Å; R207-S211 VanDerWaalsContact O-CA 3.31Å; R207-S211 WeakPolarHBondContact O-CA 3.44Å; R207-S211 PolarHBondContact O-N 2.87Å; E208-S211 PolarHBondContact O-N 3.45Å
212C97.3Very high90.3Very high1 Ų161.5 Ų61.51%0.00731%0.313CS..  trans-112.8175.1-175.866.10000111.9P6 V8 F101 R207 F210P6-C212 CarbonylContact O-C 3.59Å; P6-C212 WeakPolarHBondContact O-CA 3.39Å; P6-C212 VanDerWaalsContact O-CB 3.31Å; P6-C212 WeakPolarHBondContact O-CB 3.23Å; V8-C212 HydrophobicContact CG2-CB 3.91Å; F101-C212 HydrophobicContact CE1-CB 4.13Å; R207-C212 VanDerWaalsContact CG-O 3.26Å; R207-C212 WeakPolarHBondContact CG-O 3.29Å; R207-C212 PolarHBondContact O-N 3.29Å; F210-C212 HydrophobicContact CB-CB 4.44Å; F210-C212 PolarHBondContact O-N 3.18Å
213R97.4Very high87.9Confident129 Ų12968.7 Ų68.749%0.48735%0.351SS..EExtended strand (participates in β ladder)trans-107.2142.9165-66.6178.1-66.6139.80.5108.3R5 P6 L7 V8R5-R213 HydrophobicContact CB-CG 4.23Å; R5-R213 PolarHBondContact O-NE 3.15Å; R5-R213 PolarHBondContact O-NH2 3.23Å; P6-R213 PolarHBondContact O-N 3.22Å; L7-R213 HydrophobicContact CD1-CB 4.04Å; V8-R213 PolarHBondContact N-O 2.95Å
214L98Very high85.3Confident48 Ų4877.9 Ų77.925%0.25139%0.385SS..EExtended strand (participates in β ladder)trans-109.3140.7176-58.8-177.8000109.4V8 V10 L40 L203 F206 R207V8-L214 HydrophobicContact CB-CD2 3.87Å; V8-L214 HydrophobicContact CG1-CD2 4.38Å; V8-L214 WeakPolarHBondContact O-CA 3.49Å; V10-L214 HydrophobicContact CG2-CB 4.1Å; V10-L214 HydrophobicContact CG2-CD1 4.4Å; V10-L214 HydrophobicContact CG2-CD2 4.23Å; V10-L214 HydrophobicContact CG2-CG 4.47Å; L40-L214 HydrophobicContact CD1-CD2 4.27Å; L203-L214 HydrophobicContact CB-CD1 3.81Å; L203-L214 HydrophobicContact CD2-CD1 4.05Å; L203-L214 HydrophobicContact CG-CD1 4.48Å; L203-L214 VanDerWaalsContact O-CD1 3.31Å; L203-L214 WeakPolarHBondContact O-CD1 3.48Å; F206-L214 HydrophobicContact CD1-CD2 4.25Å; R207-L214 HydrophobicContact CB-CD1 4.06Å; R207-L214 HydrophobicContact CB-CG 4.27Å
215T97.6Very high82.6Confident60 Ų6082.9 Ų82.937%0.36841%0.412SS..EExtended strand (participates in β ladder)trans-134.4141169.4-172.50000108.4L7 V8 E9 V10L7-T215 HydrophobicContact CD1-CG2 3.81Å; L7-T215 HydrophobicContact CD2-CG2 4.25Å; L7-T215 HydrophobicContact CG-CG2 4.1Å; V8-T215 PolarHBondContact O-N 2.93Å; V8-T215 VanDerWaalsContact O-N 3.1Å; E9-T215 CarbonylContact C-O 3.46Å; E9-T215 WeakPolarHBondContact CA-O 3.43Å; E9-T215 HydrophobicContact CG-CG2 3.96Å; V10-T215 PolarHBondContact N-O 3.34Å
216E96.2Very high80Confident104 Ų10486.9 Ų86.949%0.48645%0.453SS..EExtended strand (participates in β ladder)trans-72.3147.2172.4-63.6-74.2170.600109.3R12R12-E216 IonicContact CZ-OE1 2.77Å; R12-E216 IonicContact CZ-OE2 3.98Å; R12-E216 IonicContact NE-OE1 3.36Å; R12-E216 PolarHBondContact NE-OE1 3.24Å; R12-E216 IonicContact NE-OE2 3.56Å; R12-E216 PolarHBondContact NE-OE2 2.99Å; R12-E216 VanDerWaalsContact NE-OE2 3.12Å; R12-E216 IonicContact NH2-OE1 2.72Å; R12-E216 PolarHBondContact NH2-OE1 2.98Å; R12-E216 IonicContact NH2-OE2 2.91Å
217A92.1Very high77.2Confident29 Ų2990.2 Ų90.224%0.2449%0.488CS..EExtended strand (participates in β ladder)trans-140.6148174.500000109.8E9 V10 V11E9-A217 HydrophobicContact CB-CB 3.97Å; E9-A217 HydrophobicContact CG-CB 4.2Å; V10-A217 PolarHBondContact O-N 2.8Å; V11-A217 HydrophobicContact CG2-CB 4.06Å
218E84.2Confident74.3Confident182 Ų18289.9 Ų89.985%0.8551%0.507SS*.PPolyproline II helixtrans-73.1147.1177.8-66.6-178.217600111.2
219T74.6Confident71.3Confident61 Ų6191.3 Ų91.337%0.37453%0.527SS..PPolyproline II helixtrans-64.1131171.1-57.90000108.4R12 L13 E221R12-T219 PolarHBondContact O-OG1 3.49Å; L13-T219 HydrophobicContact CD2-CG2 3.55Å; T219-E221 PolarHBondContact O-N 2.74Å
220P66.8Low69Low40 Ų4094.4 Ų94.426%0.2655%0.552SS.*PPolyproline II helixtrans-59.2129.7177.6-17.630.1000108.8Y28Y28-P220 HydrophobicContact CE2-CG 4Å; Y28-P220 VanDerWaalsContact OH-CD 3.26Å; Y28-P220 WeakPolarHBondContact OH-CD 3.22Å; Y28-P220 WeakPolarHBondContact OH-CG 3.39Å
221E58.2Low66.6Low153 Ų153102.4 Ų102.472%0.71562%0.62SS**PPolyproline II helixtrans-56.5138.4172.7-69.9-152.5167.600109.3T219 D223T219-E221 PolarHBondContact O-N 2.74Å; E221-D223 PolarHBondContact O-N 2.83Å
222P52.7Low65Low88 Ų88104.1 Ų104.157%0.57163%0.626SS**PPolyproline II helixtrans-58.7130.7170.124.3-30.6000108.1R224P222-R224 PolarHBondContact O-N 3.23Å
223D48.3Very low63.3Low152 Ų152109.5 Ų109.581%0.81366%0.659SS**  trans-49107.3174.5-105.4-34.3000109E221 N225E221-D223 PolarHBondContact O-N 2.83Å; D223-N225 PolarHBondContact O-N 2.92Å
224R44.1Very low61.4Low209 Ų209108.4 Ų108.479%0.78967%0.668SS**SBendtrans-72.9-1174.8-69.5-170.6-177.5-160.51.8112.4P222P222-R224 PolarHBondContact O-N 3.23Å
225N40.7Very low59.3Low155 Ų155111.9 Ų111.983%0.82969%0.693SS**  trans-103.867.6-179.7-78.3-9.2000112D223D223-N225 PolarHBondContact O-N 2.92Å
226G44.3Very low56.9Low83 Ų83115.2 Ų115.286%0.85671%0.713SS**  trans-118.514.1166.800000113.7
227G39.8Very low54.3Low73 Ų73115.9 Ų115.975%0.75373%0.728SS**  trans-134.898.2-17400000113
228A36.8Very low51.6Low95 Ų95122.1 Ų122.179%0.78576%0.763SS**  trans149.390.7143.100000109.8P230A228-P230 WeakPolarHBondContact O-CD 3.44Å
229S34.8Very low49.1Very low125 Ų125117.5 Ų117.587%0.87476%0.757SS**  trans-73.8119.5144.8-830000106.6
230P49.7Very low46.9Very low119 Ų119122.3 Ų122.377%0.77379%0.789SS**  trans-71.6150.8159.732.3-29.3000108.6A228A228-P230 WeakPolarHBondContact O-CD 3.44Å
231A47Very low45.1Very low175 Ų175129.7 Ų129.7100%1.44684%0.837SS**  trans-52.80-177.400000114.7

Retrieved 231 of 231 residues in 89.1 ms (Link to these results)

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