A0A087XME4_POEFO Loading...

40S ribosomal protein S4

AlphaFold DB (A0A3B3TPK6), UniProt , Accession A0A087XME4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 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
1M76.2Confident92.8Very high189 Ų189118.2 Ų118.293%0.93160%0.604SS**  0142.20-62.6-179.7-178.600109.5R3M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 HydrophobicContact CB-CG 4.22Å; M1-R3 PolarHBondContact O-N 2.99Å; M1-R3 VanDerWaalsContact O-N 3.11Å
2A87.4Confident93Very high107 Ų107119.2 Ų119.288%0.88462%0.62SS**  trans-82.676.5176.200000109.7
3R92.3Very high93.3Very high219 Ų219115.1 Ų115.183%0.82661%0.614SS**SBendtrans-127.912.8-179.5-64.1-174.2-178177.90.3112.9M1M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 HydrophobicContact CB-CG 4.22Å; M1-R3 PolarHBondContact O-N 2.99Å; M1-R3 VanDerWaalsContact O-N 3.11Å
4G95Very high93.5Very high49 Ų49107.9 Ų107.951%0.50558%0.579SS.*SBendtrans149.9-173.5-176.700000113.7K6G4-K6 PolarHBondContact O-N 3.39Å
5P94.7Very high93.7Very high122 Ų122102 Ų10279%0.79255%0.548SS*.  trans-62.5129-179.825.6-33.4000110.9K7P5-K7 PolarHBondContact O-N 3.34Å
6K94Very high93.8Very high154 Ų154108.2 Ų108.267%0.6757%0.569SS**  trans-67.7128.5176.9-63.7-176.9-178178.30109.7G4 R30G4-K6 PolarHBondContact O-N 3.39Å; K6-R30 PolarHBondContact O-NE 3.04Å; K6-R30 PolarHBondContact O-NH2 2.91Å
7K94.6Very high93.9Very high173 Ų173103.5 Ų103.575%0.75254%0.543SS*.  trans-92.9-13.1178.7-61.4-174.4-179.5-178.60114.4P5 R30P5-K7 PolarHBondContact O-N 3.34Å; K7-R30 WeakPolarHBondContact O-CD 3.23Å
8H96.1Very high94Very high135 Ų13597.8 Ų97.863%0.62551%0.513SS*.  trans-112.7152.6-175.6-6094.9000111.8F27 R30H8-F27 HydrophobicContact CB-CD1 4.25Å; H8-F27 HydrophobicContact CB-CE1 4.04Å; H8-R30 PolarHBondContact O-NH1 2.98Å
9L97.1Very high94.1Very high19 Ų1997.3 Ų97.310%0.09951%0.509CS..EExtended strand (participates in β ladder)trans-126.9119.1171.4-176.863.8000108.5A14 W18 A28 R30L9-A14 HydrophobicContact CD2-CB 4.28Å; L9-W18 HydrophobicContact CD2-CH2 3.94Å; L9-W18 HydrophobicContact CD2-CZ3 3.79Å; L9-A28 HydrophobicContact CD2-CB 4.28Å; L9-A28 HydrophobicContact CG-CB 4.36Å; L9-A28 PolarHBondContact O-N 3.37Å; L9-R30 HydrophobicContact CB-CB 3.9Å; L9-R30 HydrophobicContact CB-CG 4.2Å
10K97.3Very high94.1Very high103 Ų10394 Ų9445%0.44849%0.492SS..EExtended strand (participates in β ladder)trans-70142.2173.9-70.3-66.9-172.9178.20109.4V12 A13 A14 V26 F27K10-V12 HydrophobicContact CB-CG2 4.36Å; K10-V12 PolarHBondContact O-N 2.87Å; K10-A13 HydrophobicContact CB-CB 4.32Å; K10-A13 CarbonylContact O-C 3.53Å; K10-A13 PolarHBondContact O-N 3.26Å; K10-A14 PolarHBondContact O-N 3.25Å; K10-V26 HydrophobicContact CD-CG1 3.94Å; K10-V26 VanDerWaalsContact NZ-CG1 3.31Å; K10-F27 HydrophobicContact CD-CD1 4.05Å; K10-F27 HydrophobicContact CD-CE1 3.82Å; K10-F27 HydrophobicContact CD-CZ 4.48Å
11R96.4Very high94.2Very high30 Ų3092.4 Ų92.411%0.11348%0.484CS..G310 helixtrans-61.9-42.4-173.6-168.9173.1-71.2-162.97.4112.9A13 A14 L20 D21 T24 G25 V26 F27 A28R11-A13 PolarHBondContact O-N 3.35Å; R11-A14 WeakPolarHBondContact O-CB 3.46Å; R11-A14 PolarHBondContact O-N 3.37Å; R11-L20 HydrophobicContact CG-CB 4.19Å; R11-L20 HydrophobicContact CG-CD1 4.29Å; R11-D21 WeakPolarHBondContact CD-O 3.36Å; R11-D21 IonicContact NH1-OD1 3.7Å; R11-D21 PolarHBondContact NH1-OD1 3.07Å; R11-D21 IonicContact NH1-OD2 3.61Å; R11-D21 PolarHBondContact NH1-OD2 2.88Å; R11-T24 PolarHBondContact NH1-O 2.93Å; R11-T24 PolarHBondContact NH1-OG1 2.94Å; R11-T24 PolarHBondContact NH2-O 3.16Å; R11-G25 WeakPolarHBondContact CD-O 3.42Å; R11-G25 PolarHBondContact NE-O 2.86Å; R11-V26 WeakPolarHBondContact CB-O 3.42Å; R11-V26 PolarHBondContact N-O 3.44Å; R11-F27 PolarHBondContact NE-O 3.35Å; R11-F27 PolarHBondContact NH2-O 3.02Å; R11-A28 HydrophobicContact CB-CB 4.38Å; R11-A28 HydrophobicContact CG-CB 4.4Å
12V95.4Very high95Very high130 Ų13092.2 Ų92.279%0.78848%0.478SS*.G310 helixtrans-63-23.3175.6-63.60000113.8K10K10-V12 HydrophobicContact CB-CG2 4.36Å; K10-V12 PolarHBondContact O-N 2.87Å
13A96Very high95.3Very high66 Ų6694.9 Ų94.955%0.54548%0.476SS..G310 helixtrans-95.92.3177.600000112.7K10 R11K10-A13 HydrophobicContact CB-CB 4.32Å; K10-A13 CarbonylContact O-C 3.53Å; K10-A13 PolarHBondContact O-N 3.26Å; R11-A13 PolarHBondContact O-N 3.35Å
14A96.6Very high95.3Very high15 Ų1589.4 Ų89.412%0.12447%0.467CS..SBendtrans-70.1155.1177.300000111.2L9 K10 R11 K16 W18 L20 A28L9-A14 HydrophobicContact CD2-CB 4.28Å; K10-A14 PolarHBondContact O-N 3.25Å; R11-A14 WeakPolarHBondContact O-CB 3.46Å; R11-A14 PolarHBondContact O-N 3.37Å; A14-K16 PolarHBondContact O-N 3.48Å; A14-W18 HydrophobicContact CB-CE3 3.9Å; A14-W18 HydrophobicContact CB-CZ3 4.03Å; A14-L20 HydrophobicContact CB-CD1 4.14Å; A14-A28 HydrophobicContact CB-CB 3.73Å
15P96.6Very high95.2Very high19 Ų1988.6 Ų88.612%0.12346%0.459CS..  trans-55.2128.1173.9-25.635000112.4H17 W18 L38P15-H17 WeakPolarHBondContact CB-CE1 3.18Å; P15-H17 VanDerWaalsContact CB-ND1 3.27Å; P15-H17 WeakPolarHBondContact CB-ND1 3.32Å; P15-H17 PolarHBondContact O-N 3.1Å; P15-W18 HydrophobicContact CB-CD2 4.15Å; P15-W18 HydrophobicContact CB-CG 4.31Å; P15-W18 HydrophobicContact CB-CZ2 4.41Å; P15-W18 HydrophobicContact CG-CD2 4.1Å; P15-W18 HydrophobicContact CG-CE3 4.42Å; P15-W18 HydrophobicContact CG-CH2 3.96Å; P15-W18 HydrophobicContact CG-CZ2 3.62Å; P15-W18 HydrophobicContact CG-CZ3 4.37Å; P15-W18 WeakPolarHBondContact O-CB 3.27Å; P15-W18 PolarHBondContact O-N 3.23Å; P15-W18 VanDerWaalsContact O-N 3.11Å; P15-L38 HydrophobicContact CG-CD2 4.27Å
16K95.3Very high95.3Very high201 Ų20187.2 Ų87.287%0.87445%0.448SS*.G310 helixtrans-59.5-31.7-175.5-69.3-172.5177-177.80112.9A14 W18 M19A14-K16 PolarHBondContact O-N 3.48Å; K16-W18 PolarHBondContact O-N 3.32Å; K16-M19 PolarHBondContact O-N 3.09Å; K16-M19 VanDerWaalsContact O-N 3.1Å
17H95.3Very high95.5Very high29 Ų2984.7 Ų84.713%0.13444%0.437CS..G310 helixtrans-69.6-11.4-178.770.7-74000113.8P15 M19 R39 C41 R51 G107 F109P15-H17 WeakPolarHBondContact CB-CE1 3.18Å; P15-H17 VanDerWaalsContact CB-ND1 3.27Å; P15-H17 WeakPolarHBondContact CB-ND1 3.32Å; P15-H17 PolarHBondContact O-N 3.1Å; H17-M19 VanDerWaalsContact C-N 3.26Å; H17-R39 PolarHBondContact CE1-O 2.97Å; H17-C41 PolarHBondContact NE2-O 3.46Å; H17-R51 PolarHBondContact O-NH2 3.42Å; H17-G107 WeakPolarHBondContact CB-O 3.36Å; H17-F109 AromaticContact CD2-CD2 3.58Å; H17-F109 AromaticContact CD2-CE2 3.88Å; H17-F109 AromaticContact NE2-CD2 3.71Å; H17-F109 AromaticContact NE2-CE2 3.59Å
18W95.9Very high95.6Very high0 Ų077 Ų770%041%0.405CS..G310 helixtrans-72.8-20.3171-65.1-6000113.1L9 A14 P15 K16 L20 A28 P29 P31 C41 L42 P43 I46 R51L9-W18 HydrophobicContact CD2-CH2 3.94Å; L9-W18 HydrophobicContact CD2-CZ3 3.79Å; A14-W18 HydrophobicContact CB-CE3 3.9Å; A14-W18 HydrophobicContact CB-CZ3 4.03Å; P15-W18 HydrophobicContact CB-CD2 4.15Å; P15-W18 HydrophobicContact CB-CG 4.31Å; P15-W18 HydrophobicContact CB-CZ2 4.41Å; P15-W18 HydrophobicContact CG-CD2 4.1Å; P15-W18 HydrophobicContact CG-CE3 4.42Å; P15-W18 HydrophobicContact CG-CH2 3.96Å; P15-W18 HydrophobicContact CG-CZ2 3.62Å; P15-W18 HydrophobicContact CG-CZ3 4.37Å; P15-W18 WeakPolarHBondContact O-CB 3.27Å; P15-W18 PolarHBondContact O-N 3.23Å; P15-W18 VanDerWaalsContact O-N 3.11Å; K16-W18 PolarHBondContact O-N 3.32Å; W18-L20 VanDerWaalsContact C-N 3.26Å; W18-L20 HydrophobicContact CB-CG 4.11Å; W18-L20 HydrophobicContact CE3-CD1 3.98Å; W18-L20 PolarHBondContact O-N 3.12Å; W18-A28 HydrophobicContact CZ3-CB 4.47Å; W18-P29 WeakPolarHBondContact CZ3-O 3.41Å; W18-P31 HydrophobicContact CH2-CG 3.6Å; W18-P31 HydrophobicContact CZ2-CG 3.82Å; W18-C41 PolarHBondContact NE1-O 2.96Å; W18-L42 HydrophobicContact CG-CD1 4.49Å; W18-P43 HydrophobicContact CH2-CG 3.92Å; W18-P43 HydrophobicContact CZ2-CG 3.87Å; W18-P43 HydrophobicContact CZ3-CG 4.44Å; W18-I46 HydrophobicContact CB-CD1 3.95Å; W18-I46 HydrophobicContact CD2-CD1 3.44Å; W18-I46 VanDerWaalsContact CD2-CD1 3.44Å; W18-I46 HydrophobicContact CE3-CD1 3.32Å; W18-I46 HydrophobicContact CG-CD1 3.73Å; W18-I46 HydrophobicContact CZ3-CD1 4Å; W18-R51 PolarHBondContact O-NH2 2.72Å
19M95Very high95.6Very high89 Ų8971.6 Ų71.644%0.43838%0.382SS..  trans5641.9178.8-49.6165.9104.300112.2K16 H17 R51 R108K16-M19 PolarHBondContact O-N 3.09Å; K16-M19 VanDerWaalsContact O-N 3.1Å; H17-M19 VanDerWaalsContact C-N 3.26Å; M19-R51 PolarHBondContact SD-NH1 3.02Å; M19-R51 PolarHBondContact SD-NH2 3.14Å; M19-R108 VanDerWaalsContact CE-CD 3.43Å; M19-R108 HydrophobicContact SD-CG 4.48Å
20L95.4Very high95.6Very high30 Ų3074.8 Ų74.816%0.15739%0.393CS..  trans-73.6137169.9-61.1-180000108.9R11 A14 W18 A28 I46R11-L20 HydrophobicContact CG-CB 4.19Å; R11-L20 HydrophobicContact CG-CD1 4.29Å; A14-L20 HydrophobicContact CB-CD1 4.14Å; W18-L20 VanDerWaalsContact C-N 3.26Å; W18-L20 HydrophobicContact CB-CG 4.11Å; W18-L20 HydrophobicContact CE3-CD1 3.98Å; W18-L20 PolarHBondContact O-N 3.12Å; L20-A28 HydrophobicContact CD1-CB 3.61Å; L20-I46 HydrophobicContact CD1-CD1 4.32Å; L20-I46 HydrophobicContact CD2-CD1 4.21Å; L20-I46 HydrophobicContact CG-CD1 4.49Å
21D94.9Very high95.6Very high62 Ų6270.4 Ų70.433%0.33238%0.375SS..  trans-68.2165.2172.868.4-70.4000110.9R11 L23 T24R11-D21 WeakPolarHBondContact CD-O 3.36Å; R11-D21 IonicContact NH1-OD1 3.7Å; R11-D21 PolarHBondContact NH1-OD1 3.07Å; R11-D21 IonicContact NH1-OD2 3.61Å; R11-D21 PolarHBondContact NH1-OD2 2.88Å; D21-L23 PolarHBondContact OD2-N 3.33Å; D21-L23 VanDerWaalsContact OD2-N 3.14Å; D21-T24 PolarHBondContact OD1-OG1 3.06Å; D21-T24 VanDerWaalsContact OD2-CB 3.3Å; D21-T24 WeakPolarHBondContact OD2-CB 3.46Å; D21-T24 VanDerWaalsContact OD2-CG2 3.31Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.47Å; D21-T24 PolarHBondContact OD2-N 3.36Å; D21-T24 PolarHBondContact OD2-OG1 3.34Å
22K93.3Very high95.7Very high184 Ų18471 Ų7180%0.838%0.384SS*.SBendtrans-87.7-20-176.1-65.4-179.2-179.5177.40114.1
23L94.7Very high95.7Very high164 Ų16472 Ų7286%0.85939%0.391SS*.SBendtrans-109.1-33.8-158.6-61.2177.6000114.1D21 G25D21-L23 PolarHBondContact OD2-N 3.33Å; D21-L23 VanDerWaalsContact OD2-N 3.14Å; L23-G25 PolarHBondContact O-N 3.45Å
24T92.3Very high95.7Very high104 Ų10470.9 Ų70.964%0.63839%0.385SS*.SBendtrans-79.630.4-172.765.30000113.7R11 D21R11-T24 PolarHBondContact NH1-O 2.93Å; R11-T24 PolarHBondContact NH1-OG1 2.94Å; R11-T24 PolarHBondContact NH2-O 3.16Å; D21-T24 PolarHBondContact OD1-OG1 3.06Å; D21-T24 VanDerWaalsContact OD2-CB 3.3Å; D21-T24 WeakPolarHBondContact OD2-CB 3.46Å; D21-T24 VanDerWaalsContact OD2-CG2 3.31Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.47Å; D21-T24 PolarHBondContact OD2-N 3.36Å; D21-T24 PolarHBondContact OD2-OG1 3.34Å
25G92.6Very high95.6Very high31 Ų3171.8 Ų71.832%0.3239%0.39SS..  trans145.6152.6170.900000115R11 L23R11-G25 WeakPolarHBondContact CD-O 3.42Å; R11-G25 PolarHBondContact NE-O 2.86Å; L23-G25 PolarHBondContact O-N 3.45Å
26V96.9Very high95.7Very high94 Ų9471.8 Ų71.857%0.5739%0.388SS*.SBendtrans-76.3-29.6-176.21800000112.8K10 R11K10-V26 HydrophobicContact CD-CG1 3.94Å; K10-V26 VanDerWaalsContact NZ-CG1 3.31Å; R11-V26 WeakPolarHBondContact CB-O 3.42Å; R11-V26 PolarHBondContact N-O 3.44Å
27F97.3Very high95.7Very high101 Ų10167.9 Ų67.944%0.44337%0.371SS..EExtended strand (participates in β ladder)trans-110152.7-174.1-63.5-81.1000112.4H8 K10 R11H8-F27 HydrophobicContact CB-CD1 4.25Å; H8-F27 HydrophobicContact CB-CE1 4.04Å; K10-F27 HydrophobicContact CD-CD1 4.05Å; K10-F27 HydrophobicContact CD-CE1 3.82Å; K10-F27 HydrophobicContact CD-CZ 4.48Å; R11-F27 PolarHBondContact NE-O 3.35Å; R11-F27 PolarHBondContact NH2-O 3.02Å
28A97.1Very high95.8Very high10 Ų1069 Ų698%0.08338%0.378CS..EExtended strand (participates in β ladder)trans-109.4153.8167.300000109.5L9 R11 A14 W18 L20 R30L9-A28 HydrophobicContact CD2-CB 4.28Å; L9-A28 HydrophobicContact CG-CB 4.36Å; L9-A28 PolarHBondContact O-N 3.37Å; R11-A28 HydrophobicContact CB-CB 4.38Å; R11-A28 HydrophobicContact CG-CB 4.4Å; A14-A28 HydrophobicContact CB-CB 3.73Å; W18-A28 HydrophobicContact CZ3-CB 4.47Å; L20-A28 HydrophobicContact CD1-CB 3.61Å; A28-R30 PolarHBondContact O-N 2.95Å; A28-R30 VanDerWaalsContact O-N 3.11Å
29P96.9Very high95.8Very high22 Ų2278.7 Ų78.714%0.14341%0.414CS..PPolyproline II helixtrans-59.6119171.425.9-33.3000108.9W18 I45 I46 T81W18-P29 WeakPolarHBondContact CZ3-O 3.41Å; P29-I45 HydrophobicContact CB-CG2 3.47Å; P29-I45 VanDerWaalsContact CB-CG2 3.47Å; P29-I45 HydrophobicContact CG-CG2 3.7Å; P29-I46 HydrophobicContact CG-CD1 3.79Å; P29-I46 HydrophobicContact CG-CG1 3.67Å; P29-T81 HydrophobicContact CB-CG2 4.08Å
30R97.1Very high95.7Very high87 Ų8778.2 Ų78.233%0.32841%0.411SS..PPolyproline II helixtrans-81.6121.4174.4-175.1178.8-179.6763.1107.5K6 K7 H8 L9 A28 L38 T81K6-R30 PolarHBondContact O-NE 3.04Å; K6-R30 PolarHBondContact O-NH2 2.91Å; K7-R30 WeakPolarHBondContact O-CD 3.23Å; H8-R30 PolarHBondContact O-NH1 2.98Å; L9-R30 HydrophobicContact CB-CB 3.9Å; L9-R30 HydrophobicContact CB-CG 4.2Å; A28-R30 PolarHBondContact O-N 2.95Å; A28-R30 VanDerWaalsContact O-N 3.11Å; R30-L38 HydrophobicContact CG-CD1 4.49Å; R30-T81 WeakPolarHBondContact O-CB 3.49Å; R30-T81 WeakPolarHBondContact O-CG2 3.29Å
31P97.8Very high95.8Very high11 Ų1176.8 Ų76.87%0.07140%0.404CS..PPolyproline II helixtrans-64142.1178.7-11.222.9000110.3W18 L38 P43 T81 P83W18-P31 HydrophobicContact CH2-CG 3.6Å; W18-P31 HydrophobicContact CZ2-CG 3.82Å; P31-L38 HydrophobicContact CG-CD1 4.46Å; P31-L38 HydrophobicContact CG-CG 3.96Å; P31-P43 HydrophobicContact CB-CG 4.1Å; P31-P43 HydrophobicContact CG-CG 3.74Å; P31-T81 WeakPolarHBondContact CA-O 3.29Å; P31-P83 HydrophobicContact CB-CB 4.06Å
32S96.9Very high95.9Very high41 Ų4173.9 Ų73.929%0.28739%0.388SS..PPolyproline II helixtrans-62159.2169.6-62.10000110.7G34 D79 T81 P83S32-G34 PolarHBondContact O-N 2.98Å; S32-D79 WeakPolarHBondContact CB-OD2 3.46Å; S32-D79 PolarHBondContact OG-OD2 2.97Å; S32-T81 PolarHBondContact N-O 3.15Å; S32-T81 PolarHBondContact OG-OG1 2.87Å; S32-P83 WeakPolarHBondContact O-CG 3.43Å
33T96Very high96.1Very high152 Ų15265.1 Ų65.193%0.93335%0.35SS*.SBendtrans-68.7121.8168.249.60000109
34G95.3Very high96.2Very high42 Ų4257.3 Ų57.343%0.43331%0.309SS..SBendtrans-161.4-157.6-175.800000112.4S32 H36S32-G34 PolarHBondContact O-N 2.98Å; G34-H36 VanDerWaalsContact C-N 3.31Å; G34-H36 PolarHBondContact O-N 3.18Å
35P96.2Very high96.4Very high34 Ų3453 Ų5322%0.22128%0.282CS..SBendtrans-57.7-38.5-172.6-30.138.6000114.8Y82 D143P35-Y82 WeakPolarHBondContact CG-OH 3.42Å; P35-D143 HydrophobicContact CB-CB 4.18Å; P35-D143 WeakPolarHBondContact CB-O 3.35Å
36H97.1Very high96.6Very high19 Ų1951.6 Ų51.69%0.08827%0.267CS..SBendtrans-112.1149.6-171.9-62.1-81.4000112.1G34 C41 P83 G85 D88 H142G34-H36 VanDerWaalsContact C-N 3.31Å; G34-H36 PolarHBondContact O-N 3.18Å; H36-C41 HydrophobicContact CB-CB 3.88Å; H36-P83 PolarHBondContact CD2-O 3.19Å; H36-G85 WeakPolarHBondContact CD2-CA 3.4Å; H36-G85 PolarHBondContact CD2-N 3.28Å; H36-D88 IonicContact CD2-OD2 3.17Å; H36-D88 PolarHBondContact CD2-OD2 2.99Å; H36-D88 IonicContact CE1-OD1 3.26Å; H36-D88 VanDerWaalsContact NE2-CG 3.26Å; H36-D88 IonicContact NE2-OD1 2.7Å; H36-D88 PolarHBondContact NE2-OD1 2.67Å; H36-D88 IonicContact NE2-OD2 3.4Å; H36-D88 PolarHBondContact NE2-OD2 2.85Å; H36-H142 AromaticContact CE1-NE2 3.84Å
37K96.4Very high96.6Very high119 Ų11947.1 Ų47.152%0.51724%0.24SC..  trans-68150.2-179.3-57.4-178-158.9146.40111R39 E40 C41K37-R39 PolarHBondContact O-N 3.36Å; K37-R39 VanDerWaalsContact O-N 3.08Å; K37-E40 HydrophobicContact CB-CB 4.28Å; K37-E40 WeakPolarHBondContact CD-OE2 3.42Å; K37-E40 WeakPolarHBondContact CE-OE2 3.35Å; K37-E40 IonicContact NZ-OE1 2.82Å; K37-E40 PolarHBondContact NZ-OE1 2.8Å; K37-E40 IonicContact NZ-OE2 3Å; K37-E40 PolarHBondContact NZ-OE2 3.03Å; K37-E40 CarbonylContact O-C 3.44Å; K37-E40 PolarHBondContact O-N 2.75Å; K37-C41 WeakPolarHBondContact O-CB 3.35Å; K37-C41 PolarHBondContact O-N 2.68Å; K37-C41 PolarHBondContact O-SG 3.14Å; K37-C41 VanDerWaalsContact O-SG 3.4Å
38L96.7Very high96.6Very high53 Ų5342.4 Ų42.428%0.27722%0.22SC..THydrogen-bonded Turntrans-51.2-37.5178.8-178.5152.2000114.2P15 R30 P31P15-L38 HydrophobicContact CG-CD2 4.27Å; R30-L38 HydrophobicContact CG-CD1 4.49Å; P31-L38 HydrophobicContact CG-CD1 4.46Å; P31-L38 HydrophobicContact CG-CG 3.96Å
39R95.4Very high96.5Very high203 Ų20344.4 Ų44.477%0.76623%0.225SC*.THydrogen-bonded Turntrans-87.1-8.9-179.8-67.2-168.6175.7-164.70.5114H17 K37H17-R39 PolarHBondContact CE1-O 2.97Å; K37-R39 PolarHBondContact O-N 3.36Å; K37-R39 VanDerWaalsContact O-N 3.08Å
40E94.4Very high96.5Very high79 Ų7944.8 Ų44.837%0.36923%0.226SC..SBendtrans-122.624.8-175.2-62.8166.9-168.200110.7K37 F109K37-E40 HydrophobicContact CB-CB 4.28Å; K37-E40 WeakPolarHBondContact CD-OE2 3.42Å; K37-E40 WeakPolarHBondContact CE-OE2 3.35Å; K37-E40 IonicContact NZ-OE1 2.82Å; K37-E40 PolarHBondContact NZ-OE1 2.8Å; K37-E40 IonicContact NZ-OE2 3Å; K37-E40 PolarHBondContact NZ-OE2 3.03Å; K37-E40 CarbonylContact O-C 3.44Å; K37-E40 PolarHBondContact O-N 2.75Å; E40-F109 WeakPolarHBondContact O-CZ 3.49Å
41C96.5Very high96.4Very high0 Ų043.6 Ų43.60%022%0.221CC..EExtended strand (participates in β ladder)trans-131.2173179.374.30000111.9H17 W18 H36 K37 P83 A84H17-C41 PolarHBondContact NE2-O 3.46Å; W18-C41 PolarHBondContact NE1-O 2.96Å; H36-C41 HydrophobicContact CB-CB 3.88Å; K37-C41 WeakPolarHBondContact O-CB 3.35Å; K37-C41 PolarHBondContact O-N 2.68Å; K37-C41 PolarHBondContact O-SG 3.14Å; K37-C41 VanDerWaalsContact O-SG 3.4Å; C41-P83 HydrophobicContact CB-CB 3.82Å; C41-A84 CarbonylContact C-O 3.57Å; C41-A84 WeakPolarHBondContact CA-O 3.22Å; C41-A84 WeakPolarHBondContact CB-O 3.46Å
42L96.6Very high96.3Very high1 Ų144.4 Ų44.41%0.00523%0.225CC..EExtended strand (participates in β ladder)trans-131.5109.3172.8-170.970.7000108W18 I46 F47 A84 L101 F109W18-L42 HydrophobicContact CG-CD1 4.49Å; L42-I46 HydrophobicContact CD1-CB 4.04Å; L42-I46 HydrophobicContact CD1-CG2 3.67Å; L42-I46 HydrophobicContact CG-CB 4.48Å; L42-F47 HydrophobicContact CD2-CB 4.01Å; L42-F47 HydrophobicContact CD2-CD2 3.91Å; L42-F47 HydrophobicContact CD2-CG 4.46Å; L42-A84 PolarHBondContact N-O 3.23Å; L42-A84 PolarHBondContact O-N 2.82Å; L42-L101 HydrophobicContact CB-CD1 4.47Å; L42-L101 HydrophobicContact CD2-CD2 4.18Å; L42-F109 HydrophobicContact CB-CD2 3.91Å; L42-F109 HydrophobicContact CB-CE2 4.4Å; L42-F109 HydrophobicContact CB-CG 4.41Å; L42-F109 HydrophobicContact CD2-CB 4.2Å
43P97.4Very high96.2Very high0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-56.3141173.5-28.736.5000112.2W18 P31 I45 I46 F47 Y82W18-P43 HydrophobicContact CH2-CG 3.92Å; W18-P43 HydrophobicContact CZ2-CG 3.87Å; W18-P43 HydrophobicContact CZ3-CG 4.44Å; P31-P43 HydrophobicContact CB-CG 4.1Å; P31-P43 HydrophobicContact CG-CG 3.74Å; P43-I45 HydrophobicContact CB-CG2 3.91Å; P43-I45 PolarHBondContact O-N 3.31Å; P43-I45 VanDerWaalsContact O-N 3.16Å; P43-I46 HydrophobicContact CB-CD1 4.5Å; P43-I46 HydrophobicContact CB-CG1 4.23Å; P43-I46 HydrophobicContact CG-CD1 4.17Å; P43-I46 HydrophobicContact CG-CG1 4.45Å; P43-I46 WeakPolarHBondContact O-CB 3.48Å; P43-I46 PolarHBondContact O-N 3.32Å; P43-F47 PolarHBondContact O-N 2.91Å; P43-F47 VanDerWaalsContact O-N 3.14Å; P43-Y82 WeakPolarHBondContact CA-O 3.29Å
44L96.6Very high96.2Very high0 Ų046.4 Ų46.40%021%0.214CC..Hα-helixtrans-55.8-36.4-177.9-172.959.4000113.1I46 F47 L48 I70 I72 I80 Y82L44-I46 VanDerWaalsContact C-N 3.33Å; L44-I46 PolarHBondContact O-N 3.2Å; L44-F47 HydrophobicContact CD1-CD1 4.31Å; L44-F47 WeakPolarHBondContact O-CB 3.39Å; L44-F47 PolarHBondContact O-N 3Å; L44-F47 VanDerWaalsContact O-N 3.17Å; L44-L48 HydrophobicContact CD1-CD1 4.17Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.44Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.83Å; L44-I70 HydrophobicContact CD1-CD1 4.44Å; L44-I70 HydrophobicContact CD1-CG2 4.06Å; L44-I70 HydrophobicContact CD2-CD1 4.16Å; L44-I70 HydrophobicContact CD2-CG2 4.07Å; L44-I72 HydrophobicContact CD1-CD1 4.22Å; L44-I72 HydrophobicContact CD2-CD1 4.38Å; L44-I80 PolarHBondContact N-O 3.32Å; L44-Y82 PolarHBondContact N-O 3.39Å
45I97.6Very high96.2Very high15 Ų1544.6 Ų44.68%0.07719%0.194CC..Hα-helixtrans-59.2-38172.9-174.4173.2000113.8P29 P43 R49 V61 I80P29-I45 HydrophobicContact CB-CG2 3.47Å; P29-I45 VanDerWaalsContact CB-CG2 3.47Å; P29-I45 HydrophobicContact CG-CG2 3.7Å; P43-I45 HydrophobicContact CB-CG2 3.91Å; P43-I45 PolarHBondContact O-N 3.31Å; P43-I45 VanDerWaalsContact O-N 3.16Å; I45-R49 WeakPolarHBondContact O-CB 3.25Å; I45-R49 PolarHBondContact O-N 3.12Å; I45-R49 VanDerWaalsContact O-N 3.08Å; I45-V61 HydrophobicContact CB-CG1 4.07Å; I45-V61 HydrophobicContact CG1-CB 4.28Å; I45-V61 HydrophobicContact CG1-CG1 4.15Å; I45-V61 HydrophobicContact CG1-CG2 4.13Å; I45-I80 WeakPolarHBondContact CB-O 3.16Å; I45-I80 WeakPolarHBondContact CG2-O 3.34Å; I45-I80 PolarHBondContact N-O 3.42Å
46I96.9Very high96.2Very high0 Ų049.9 Ų49.90%022%0.22CC..Iπ-helixtrans-72.1-39.1176.4-58-172.7000109.7W18 L20 P29 L42 P43 L44 N50 R51W18-I46 HydrophobicContact CB-CD1 3.95Å; W18-I46 HydrophobicContact CD2-CD1 3.44Å; W18-I46 VanDerWaalsContact CD2-CD1 3.44Å; W18-I46 HydrophobicContact CE3-CD1 3.32Å; W18-I46 HydrophobicContact CG-CD1 3.73Å; W18-I46 HydrophobicContact CZ3-CD1 4Å; L20-I46 HydrophobicContact CD1-CD1 4.32Å; L20-I46 HydrophobicContact CD2-CD1 4.21Å; L20-I46 HydrophobicContact CG-CD1 4.49Å; P29-I46 HydrophobicContact CG-CD1 3.79Å; P29-I46 HydrophobicContact CG-CG1 3.67Å; L42-I46 HydrophobicContact CD1-CB 4.04Å; L42-I46 HydrophobicContact CD1-CG2 3.67Å; L42-I46 HydrophobicContact CG-CB 4.48Å; P43-I46 HydrophobicContact CB-CD1 4.5Å; P43-I46 HydrophobicContact CB-CG1 4.23Å; P43-I46 HydrophobicContact CG-CD1 4.17Å; P43-I46 HydrophobicContact CG-CG1 4.45Å; P43-I46 WeakPolarHBondContact O-CB 3.48Å; P43-I46 PolarHBondContact O-N 3.32Å; L44-I46 VanDerWaalsContact C-N 3.33Å; L44-I46 PolarHBondContact O-N 3.2Å; I46-N50 HydrophobicContact CG2-CB 3.97Å; I46-N50 WeakPolarHBondContact O-CA 3.35Å; I46-N50 VanDerWaalsContact O-CB 3.28Å; I46-N50 WeakPolarHBondContact O-CB 3.26Å; I46-N50 PolarHBondContact O-N 2.72Å; I46-R51 PolarHBondContact O-N 3.19Å; I46-R51 VanDerWaalsContact O-N 3.15Å
47F96.7Very high96.1Very high1 Ų152 Ų520%0.00424%0.235CC..Iπ-helixtrans-60.7-51.5177.8-177.5-102.2000111.9L42 P43 L44 R51 L52 I90 F99 L101 V111L42-F47 HydrophobicContact CD2-CB 4.01Å; L42-F47 HydrophobicContact CD2-CD2 3.91Å; L42-F47 HydrophobicContact CD2-CG 4.46Å; P43-F47 PolarHBondContact O-N 2.91Å; P43-F47 VanDerWaalsContact O-N 3.14Å; L44-F47 HydrophobicContact CD1-CD1 4.31Å; L44-F47 WeakPolarHBondContact O-CB 3.39Å; L44-F47 PolarHBondContact O-N 3Å; L44-F47 VanDerWaalsContact O-N 3.17Å; F47-R51 WeakPolarHBondContact O-CB 2.89Å; F47-R51 PolarHBondContact O-N 2.88Å; F47-L52 HydrophobicContact CD1-CD1 3.93Å; F47-L52 HydrophobicContact CE1-CD1 3.32Å; F47-L52 HydrophobicContact CE1-CG 4.11Å; F47-L52 HydrophobicContact CZ-CD1 3.74Å; F47-L52 HydrophobicContact CZ-CG 4.19Å; F47-L52 PolarHBondContact O-N 2.91Å; F47-I90 HydrophobicContact CD1-CD1 4.01Å; F47-I90 HydrophobicContact CD1-CG2 4.39Å; F47-I90 HydrophobicContact CD2-CD1 4.13Å; F47-I90 HydrophobicContact CE1-CB 4.33Å; F47-I90 HydrophobicContact CE1-CD1 3.94Å; F47-I90 HydrophobicContact CE1-CG2 3.81Å; F47-I90 HydrophobicContact CE2-CD1 4.05Å; F47-I90 HydrophobicContact CG-CD1 4.11Å; F47-I90 HydrophobicContact CZ-CB 4.42Å; F47-I90 HydrophobicContact CZ-CD1 3.97Å; F47-I90 HydrophobicContact CZ-CG2 4.37Å; F47-F99 HydrophobicContact CE1-CD2 4.33Å; F47-F99 HydrophobicContact CZ-CB 3.96Å; F47-F99 HydrophobicContact CZ-CD1 4.47Å; F47-F99 AromaticContact CZ-CD2 3.89Å; F47-F99 HydrophobicContact CZ-CD2 3.89Å; F47-F99 HydrophobicContact CZ-CE2 4.5Å; F47-F99 AromaticContact CZ-CG 3.85Å; F47-F99 HydrophobicContact CZ-CG 3.85Å; F47-L101 HydrophobicContact CD2-CD2 4.01Å; F47-L101 HydrophobicContact CE2-CD2 3.92Å; F47-V111 HydrophobicContact CD2-CG2 4.15Å; F47-V111 HydrophobicContact CE2-CB 4.34Å; F47-V111 HydrophobicContact CE2-CG1 3.93Å; F47-V111 HydrophobicContact CE2-CG2 3.7Å; F47-V111 HydrophobicContact CZ-CG1 4.11Å
48L96.4Very high96.1Very high2 Ų247.5 Ų47.51%0.0122%0.221CC..Iπ-helixtrans-71.4-47.5-177.2-65163.3000113L44 L52 K53 Y54 V61 I70L44-L48 HydrophobicContact CD1-CD1 4.17Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 3.87Å; L44-L48 HydrophobicContact CG-CG 4.44Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 2.83Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L48-K53 PolarHBondContact O-N 3.05Å; L48-Y54 PolarHBondContact O-N 3.19Å; L48-Y54 VanDerWaalsContact O-N 3.13Å; L48-V61 HydrophobicContact CB-CG2 4.07Å; L48-V61 HydrophobicContact CD1-CG1 3.79Å; L48-I70 HydrophobicContact CD1-CD1 3.39Å; L48-I70 HydrophobicContact CD2-CD1 3.76Å; L48-I70 HydrophobicContact CG-CD1 4.11Å
49R96.7Very high96.1Very high51 Ų5150.5 Ų50.519%0.19224%0.238CC..Iπ-helixtrans-82.3-47.9-173.5-171.3-172.664.4177.21.3112.9I45 K53 A55 L56 V61I45-R49 WeakPolarHBondContact O-CB 3.25Å; I45-R49 PolarHBondContact O-N 3.12Å; I45-R49 VanDerWaalsContact O-N 3.08Å; R49-K53 VanDerWaalsContact O-CD 3.29Å; R49-K53 WeakPolarHBondContact O-CD 3.44Å; R49-A55 WeakPolarHBondContact CA-O 3.38Å; R49-A55 HydrophobicContact CB-CB 4.47Å; R49-A55 VanDerWaalsContact CG-O 3.29Å; R49-A55 WeakPolarHBondContact CG-O 3.23Å; R49-L56 WeakPolarHBondContact CD-O 3.27Å; R49-V61 HydrophobicContact CB-CG2 4.04Å
50N95.6Very high96.2Very high30 Ų3043.9 Ų43.916%0.1622%0.215CC..Iπ-helixtrans-89.8-34.8-171.1-70.776.3000112.6I46 K53I46-N50 HydrophobicContact CG2-CB 3.97Å; I46-N50 WeakPolarHBondContact O-CA 3.35Å; I46-N50 VanDerWaalsContact O-CB 3.28Å; I46-N50 WeakPolarHBondContact O-CB 3.26Å; I46-N50 PolarHBondContact O-N 2.72Å; N50-K53 WeakPolarHBondContact O-CE 3.5Å; N50-K53 PolarHBondContact O-NZ 3.35Å
51R94.9Very high96.3Very high63 Ų6340.1 Ų40.124%0.23820%0.198CC..Iπ-helixtrans-93.1-57.3-178.6-60-69.9-175.7-121.8-2.1113H17 W18 M19 I46 F47 V111H17-R51 PolarHBondContact O-NH2 3.42Å; W18-R51 PolarHBondContact O-NH2 2.72Å; M19-R51 PolarHBondContact SD-NH1 3.02Å; M19-R51 PolarHBondContact SD-NH2 3.14Å; I46-R51 PolarHBondContact O-N 3.19Å; I46-R51 VanDerWaalsContact O-N 3.15Å; F47-R51 WeakPolarHBondContact O-CB 2.89Å; F47-R51 PolarHBondContact O-N 2.88Å; R51-V111 HydrophobicContact CB-CG2 3.63Å; R51-V111 HydrophobicContact CG-CG2 4.15Å
52L95.1Very high96.4Very high27 Ų2745.2 Ų45.214%0.14122%0.22CC..Iπ-helixtrans-81.4-22.4-176.8-72.1-179.5000114.3F47 L48 Y54 I92 F99 V111F47-L52 HydrophobicContact CD1-CD1 3.93Å; F47-L52 HydrophobicContact CE1-CD1 3.32Å; F47-L52 HydrophobicContact CE1-CG 4.11Å; F47-L52 HydrophobicContact CZ-CD1 3.74Å; F47-L52 HydrophobicContact CZ-CG 4.19Å; F47-L52 PolarHBondContact O-N 2.91Å; L48-L52 HydrophobicContact CD2-CD1 4.46Å; L52-Y54 HydrophobicContact CB-CD1 4.42Å; L52-Y54 HydrophobicContact CB-CD2 4.07Å; L52-Y54 HydrophobicContact CB-CE2 4.28Å; L52-Y54 HydrophobicContact CB-CG 4.15Å; L52-Y54 HydrophobicContact CD1-CD2 3.98Å; L52-Y54 HydrophobicContact CD1-CE2 3.82Å; L52-Y54 PolarHBondContact O-N 3.02Å; L52-I92 HydrophobicContact CD1-CD1 4.07Å; L52-F99 HydrophobicContact CD1-CE2 4.06Å; L52-F99 HydrophobicContact CD1-CZ 4.14Å; L52-F99 HydrophobicContact CD2-CE1 3.92Å; L52-F99 HydrophobicContact CD2-CE2 4.47Å; L52-F99 HydrophobicContact CD2-CZ 3.75Å; L52-V111 HydrophobicContact CD2-CG1 3.78Å
53K95.5Very high96.4Very high139 Ų13952.1 Ų52.160%0.60425%0.25SC*.  trans62.424.8-177.9-49.4-56.4-166.6178.30114.2L48 R49 N50 A55L48-K53 PolarHBondContact O-N 3.05Å; R49-K53 VanDerWaalsContact O-CD 3.29Å; R49-K53 WeakPolarHBondContact O-CD 3.44Å; N50-K53 WeakPolarHBondContact O-CE 3.5Å; N50-K53 PolarHBondContact O-NZ 3.35Å; K53-A55 VanDerWaalsContact C-N 3.26Å; K53-A55 PolarHBondContact O-N 3.16Å
54Y95.2Very high96.3Very high97 Ų9754 Ų5438%0.3826%0.26SS..SBendtrans-76.5-14.3174.2-67.6-16.6000113.8L48 L52 I92 E97L48-Y54 PolarHBondContact O-N 3.19Å; L48-Y54 VanDerWaalsContact O-N 3.13Å; L52-Y54 HydrophobicContact CB-CD1 4.42Å; L52-Y54 HydrophobicContact CB-CD2 4.07Å; L52-Y54 HydrophobicContact CB-CE2 4.28Å; L52-Y54 HydrophobicContact CB-CG 4.15Å; L52-Y54 HydrophobicContact CD1-CD2 3.98Å; L52-Y54 HydrophobicContact CD1-CE2 3.82Å; L52-Y54 PolarHBondContact O-N 3.02Å; Y54-I92 HydrophobicContact CD2-CD1 4.12Å; Y54-I92 HydrophobicContact CE2-CD1 3.75Å; Y54-E97 PolarHBondContact OH-OE2 3.47Å
55A96.3Very high96.3Very high3 Ų354 Ų543%0.02526%0.26CS..  trans-133.3148173.300000109.4R49 K53 E60 V61 I64R49-A55 WeakPolarHBondContact CA-O 3.38Å; R49-A55 HydrophobicContact CB-CB 4.47Å; R49-A55 VanDerWaalsContact CG-O 3.29Å; R49-A55 WeakPolarHBondContact CG-O 3.23Å; K53-A55 VanDerWaalsContact C-N 3.26Å; K53-A55 PolarHBondContact O-N 3.16Å; A55-E60 WeakPolarHBondContact CA-OE2 3.21Å; A55-E60 HydrophobicContact CB-CB 3.79Å; A55-V61 HydrophobicContact CB-CG2 3.47Å; A55-V61 VanDerWaalsContact CB-CG2 3.47Å; A55-I64 HydrophobicContact CB-CD1 4.2Å
56L96.1Very high96.2Very high146 Ų14658.6 Ų58.676%0.76428%0.282SS*.SBendtrans-93.7-41.5172.1-58.1177.8000110.4R49 E60R49-L56 WeakPolarHBondContact CD-O 3.27Å; L56-E60 PolarHBondContact N-OE2 3.23Å
57T96.1Very high96.2Very high64 Ų6463.9 Ų63.939%0.39331%0.307SS..SBendtrans-113.5167.4-175.565.60000113.2D59 E60 V61T57-D59 VanDerWaalsContact C-N 3.33Å; T57-E60 PolarHBondContact N-OE2 2.7Å; T57-E60 VanDerWaalsContact OG1-CD 3.24Å; T57-E60 WeakPolarHBondContact OG1-CG 3.09Å; T57-E60 PolarHBondContact OG1-N 3.24Å; T57-E60 PolarHBondContact OG1-OE1 2.64Å; T57-V61 PolarHBondContact O-N 3.4Å
58G95.2Very high96.1Very high23 Ų2372 Ų7224%0.23734%0.338CS..Hα-helixtrans-68.8-31.2175.500000113.2V61 K62G58-V61 WeakPolarHBondContact O-CB 3.35Å; G58-V61 PolarHBondContact O-N 3.17Å; G58-K62 PolarHBondContact O-N 3.47Å; G58-K62 VanDerWaalsContact O-N 3.12Å
59D97Very high96Very high117 Ų11775 Ų7563%0.62635%0.35SS*.Hα-helixtrans-73.5-34.7-179.8-67.1-36.4000112.2T57 V61 K62 K63T57-D59 VanDerWaalsContact C-N 3.33Å; D59-V61 VanDerWaalsContact C-N 3.33Å; D59-K62 WeakPolarHBondContact O-CB 3.49Å; D59-K62 PolarHBondContact O-N 2.57Å; D59-K62 VanDerWaalsContact O-N 3.14Å; D59-K63 WeakPolarHBondContact O-CG 3.37Å; D59-K63 PolarHBondContact O-N 3.23Å
60E97.4Very high96Very high63 Ų6372.6 Ų72.629%0.29434%0.341SS..Hα-helixtrans-61.1-42.6170.3-75.6158.4-130.400111.8A55 L56 T57 K62 K63 I64A55-E60 WeakPolarHBondContact CA-OE2 3.21Å; A55-E60 HydrophobicContact CB-CB 3.79Å; L56-E60 PolarHBondContact N-OE2 3.23Å; T57-E60 PolarHBondContact N-OE2 2.7Å; T57-E60 VanDerWaalsContact OG1-CD 3.24Å; T57-E60 WeakPolarHBondContact OG1-CG 3.09Å; T57-E60 PolarHBondContact OG1-N 3.24Å; T57-E60 PolarHBondContact OG1-OE1 2.64Å; E60-K62 VanDerWaalsContact C-N 3.25Å; E60-K62 PolarHBondContact O-N 3.01Å; E60-K63 WeakPolarHBondContact O-CB 3.36Å; E60-K63 PolarHBondContact O-N 3.46Å; E60-K63 VanDerWaalsContact O-N 3.14Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 3.33Å
61V97.4Very high96.1Very high0 Ų073.9 Ų73.90%035%0.346CS..Hα-helixtrans-57.7-42.8172.9168.60000110.9I45 L48 R49 A55 T57 G58 D59 K63 I64 C65 I80I45-V61 HydrophobicContact CB-CG1 4.07Å; I45-V61 HydrophobicContact CG1-CB 4.28Å; I45-V61 HydrophobicContact CG1-CG1 4.15Å; I45-V61 HydrophobicContact CG1-CG2 4.13Å; L48-V61 HydrophobicContact CB-CG2 4.07Å; L48-V61 HydrophobicContact CD1-CG1 3.79Å; R49-V61 HydrophobicContact CB-CG2 4.04Å; A55-V61 HydrophobicContact CB-CG2 3.47Å; A55-V61 VanDerWaalsContact CB-CG2 3.47Å; T57-V61 PolarHBondContact O-N 3.4Å; G58-V61 WeakPolarHBondContact O-CB 3.35Å; G58-V61 PolarHBondContact O-N 3.17Å; D59-V61 VanDerWaalsContact C-N 3.33Å; V61-K63 VanDerWaalsContact C-N 3.35Å; V61-K63 PolarHBondContact O-N 2.87Å; V61-I64 PolarHBondContact O-N 2.74Å; V61-C65 WeakPolarHBondContact O-CB 3.45Å; V61-C65 PolarHBondContact O-N 3.19Å; V61-C65 PolarHBondContact O-SG 3.37Å; V61-I80 HydrophobicContact CG1-CB 4.09Å; V61-I80 HydrophobicContact CG1-CG2 3.8Å
62K97Very high96.2Very high108 Ų10870.9 Ų70.947%0.4733%0.334SS..Hα-helixtrans-61.3-43.8176.8-171.5179.4179.1-176.60111.2G58 D59 E60 I64 C65 M66 I80G58-K62 PolarHBondContact O-N 3.47Å; G58-K62 VanDerWaalsContact O-N 3.12Å; D59-K62 WeakPolarHBondContact O-CB 3.49Å; D59-K62 PolarHBondContact O-N 2.57Å; D59-K62 VanDerWaalsContact O-N 3.14Å; E60-K62 VanDerWaalsContact C-N 3.25Å; E60-K62 PolarHBondContact O-N 3.01Å; K62-I64 PolarHBondContact O-N 3.13Å; K62-C65 PolarHBondContact O-N 3.29Å; K62-M66 HydrophobicContact CG-CE 4.44Å; K62-M66 HydrophobicContact CG-CG 4.31Å; K62-M66 WeakPolarHBondContact O-CB 3.29Å; K62-M66 WeakPolarHBondContact O-CG 3.27Å; K62-M66 PolarHBondContact O-N 3.26Å; K62-I80 HydrophobicContact CB-CG2 4.14Å; K62-I80 HydrophobicContact CG-CG2 4.5Å
63K96.8Very high96.3Very high145 Ų14569.8 Ų69.863%0.6333%0.329SS*.Hα-helixtrans-58.8-46.8175.2-69174.1-177.4177.90111.5D59 E60 V61 C65 M66 Q67D59-K63 WeakPolarHBondContact O-CG 3.37Å; D59-K63 PolarHBondContact O-N 3.23Å; E60-K63 WeakPolarHBondContact O-CB 3.36Å; E60-K63 PolarHBondContact O-N 3.46Å; E60-K63 VanDerWaalsContact O-N 3.14Å; V61-K63 VanDerWaalsContact C-N 3.35Å; V61-K63 PolarHBondContact O-N 2.87Å; K63-C65 PolarHBondContact O-N 2.63Å; K63-M66 PolarHBondContact O-N 2.94Å; K63-Q67 WeakPolarHBondContact O-CG 3.37Å; K63-Q67 PolarHBondContact O-N 2.87Å
64I96Very high96.2Very high41 Ų4165.3 Ų65.321%0.2132%0.322CS..Hα-helixtrans-60.6-47.6177.5-63.6166.8000111A55 E60 V61 K62 M66 Q67 I70A55-I64 HydrophobicContact CB-CD1 4.2Å; E60-I64 WeakPolarHBondContact O-CG1 3.48Å; E60-I64 PolarHBondContact O-N 3.33Å; V61-I64 PolarHBondContact O-N 2.74Å; K62-I64 PolarHBondContact O-N 3.13Å; I64-M66 PolarHBondContact O-N 3.25Å; I64-Q67 PolarHBondContact O-N 3.19Å; I64-I70 HydrophobicContact CG2-CD1 3.79Å; I64-I70 HydrophobicContact CG2-CG1 4.24Å
65C95.7Very high96.2Very high0 Ų066.5 Ų66.50%033%0.329CS..Hα-helixtrans-66.9-36.3-177.9-63.20000112.2V61 K62 K63 Q67 R68 T78 I80V61-C65 WeakPolarHBondContact O-CB 3.45Å; V61-C65 PolarHBondContact O-N 3.19Å; V61-C65 PolarHBondContact O-SG 3.37Å; K62-C65 PolarHBondContact O-N 3.29Å; K63-C65 PolarHBondContact O-N 2.63Å; C65-Q67 VanDerWaalsContact C-N 3.29Å; C65-Q67 PolarHBondContact O-N 2.95Å; C65-R68 PolarHBondContact O-N 3Å; C65-R68 VanDerWaalsContact O-N 3.11Å; C65-T78 WeakPolarHBondContact CB-O 3.27Å; C65-I80 HydrophobicContact CB-CG2 4.09Å
66M96.7Very high96.3Very high111 Ų11169.1 Ų69.155%0.54735%0.345SS..Hα-helixtrans-70.7-23.6179.2-70.8-62.3173.500113.3K62 K63 I64 R68K62-M66 HydrophobicContact CG-CE 4.44Å; K62-M66 HydrophobicContact CG-CG 4.31Å; K62-M66 WeakPolarHBondContact O-CB 3.29Å; K62-M66 WeakPolarHBondContact O-CG 3.27Å; K62-M66 PolarHBondContact O-N 3.26Å; K63-M66 PolarHBondContact O-N 2.94Å; I64-M66 PolarHBondContact O-N 3.25Å; M66-R68 PolarHBondContact O-N 3.48Å
67Q95.8Very high96.3Very high111 Ų11166 Ų6652%0.51932%0.323SS..THydrogen-bonded Turntrans-71.3-3.1170.6-71.1174-10.800113.5K63 I64 C65 F69K63-Q67 WeakPolarHBondContact O-CG 3.37Å; K63-Q67 PolarHBondContact O-N 2.87Å; I64-Q67 PolarHBondContact O-N 3.19Å; C65-Q67 VanDerWaalsContact C-N 3.29Å; C65-Q67 PolarHBondContact O-N 2.95Å; Q67-F69 HydrophobicContact CB-CD2 3.69Å; Q67-F69 HydrophobicContact CB-CE2 3.62Å; Q67-F69 HydrophobicContact CB-CG 4.21Å; Q67-F69 HydrophobicContact CB-CZ 4.06Å; Q67-F69 HydrophobicContact CG-CE2 4.2Å; Q67-F69 PolarHBondContact O-N 2.81Å
68R96.1Very high96.3Very high172 Ų17265.6 Ų65.665%0.64932%0.32SS*.THydrogen-bonded Turntrans63.117.2175.7-63.5-175.2173.6-170.9-1.1115.4C65 M66 I70 V76 T78C65-R68 PolarHBondContact O-N 3Å; C65-R68 VanDerWaalsContact O-N 3.11Å; M66-R68 PolarHBondContact O-N 3.48Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 PolarHBondContact O-N 3.4Å; R68-V76 HydrophobicContact CB-CG1 3.64Å; R68-V76 HydrophobicContact CG-CG1 3.85Å; R68-T78 HydrophobicContact CG-CG2 4.15Å
69F93.8Very high96.4Very high63 Ų6367 Ų6728%0.27632%0.322SS..  trans-75.9-15178.7-61.7-33.9000114.9Q67 E93 K94Q67-F69 HydrophobicContact CB-CD2 3.69Å; Q67-F69 HydrophobicContact CB-CE2 3.62Å; Q67-F69 HydrophobicContact CB-CG 4.21Å; Q67-F69 HydrophobicContact CB-CZ 4.06Å; Q67-F69 HydrophobicContact CG-CE2 4.2Å; Q67-F69 PolarHBondContact O-N 2.81Å; F69-E93 PolarHBondContact O-N 3.14Å; F69-K94 HydrophobicContact CD2-CB 4.34Å; F69-K94 HydrophobicContact CD2-CD 3.97Å; F69-K94 HydrophobicContact CE2-CD 3.61Å; F69-K94 HydrophobicContact CG-CB 4.29Å; F69-K94 HydrophobicContact CZ-CD 4.03Å
70I96.9Very high96.4Very high1 Ų163.6 Ų63.61%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-97.8119.1-176.9-57.4179.1000109.7L44 L48 I64 R68 I72 V76 R77 I90L44-I70 HydrophobicContact CD1-CD1 4.44Å; L44-I70 HydrophobicContact CD1-CG2 4.06Å; L44-I70 HydrophobicContact CD2-CD1 4.16Å; L44-I70 HydrophobicContact CD2-CG2 4.07Å; L48-I70 HydrophobicContact CD1-CD1 3.39Å; L48-I70 HydrophobicContact CD2-CD1 3.76Å; L48-I70 HydrophobicContact CG-CD1 4.11Å; I64-I70 HydrophobicContact CG2-CD1 3.79Å; I64-I70 HydrophobicContact CG2-CG1 4.24Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 PolarHBondContact O-N 3.4Å; I70-I72 HydrophobicContact CG2-CG1 4.32Å; I70-V76 WeakPolarHBondContact O-CA 3.33Å; I70-R77 PolarHBondContact O-N 3Å; I70-I90 HydrophobicContact CG2-CG2 4.25Å
71K97.3Very high96.4Very high57 Ų5762 Ų6225%0.24830%0.298CS..EExtended strand (participates in β ladder)trans-109.5130.6171.8-68.4-177.7172.4179.50109.7K75 V76 I90 S91 E93K71-K75 CarbonylContact C-O 3.55Å; K71-K75 VanDerWaalsContact CA-O 3.31Å; K71-K75 WeakPolarHBondContact CA-O 3.22Å; K71-V76 HydrophobicContact CD-CG2 4.44Å; K71-V76 HydrophobicContact CG-CG2 3.88Å; K71-I90 WeakPolarHBondContact O-CA 3.36Å; K71-S91 PolarHBondContact N-O 2.78Å; K71-S91 PolarHBondContact O-N 3.38Å; K71-E93 HydrophobicContact CD-CG 4.11Å; K71-E93 WeakPolarHBondContact CD-OE1 3.28Å; K71-E93 WeakPolarHBondContact CE-OE1 3.41Å; K71-E93 WeakPolarHBondContact CE-OE2 3.43Å; K71-E93 IonicContact NZ-OE1 2.91Å; K71-E93 PolarHBondContact NZ-OE1 2.74Å; K71-E93 IonicContact NZ-OE2 3.03Å
72I97.1Very high96.5Very high1 Ų162.9 Ų62.91%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-115.1122.6171.3-54.3179.7000107.1L44 I70 G74 K75 R77 Y82 A84 D88 V89 I90L44-I72 HydrophobicContact CD1-CD1 4.22Å; L44-I72 HydrophobicContact CD2-CD1 4.38Å; I70-I72 HydrophobicContact CG2-CG1 4.32Å; I72-G74 VanDerWaalsContact C-N 3.27Å; I72-G74 PolarHBondContact O-N 3.05Å; I72-K75 PolarHBondContact N-O 3.44Å; I72-K75 PolarHBondContact O-N 2.84Å; I72-R77 HydrophobicContact CB-CG 3.87Å; I72-R77 HydrophobicContact CD1-CB 4.05Å; I72-R77 HydrophobicContact CD1-CG 3.95Å; I72-R77 HydrophobicContact CG1-CB 4.25Å; I72-R77 HydrophobicContact CG1-CG 3.96Å; I72-Y82 HydrophobicContact CB-CE1 4.37Å; I72-Y82 HydrophobicContact CD1-CD1 3.41Å; I72-Y82 VanDerWaalsContact CD1-CD1 3.41Å; I72-Y82 HydrophobicContact CD1-CE1 3.87Å; I72-Y82 HydrophobicContact CD1-CG 4.23Å; I72-Y82 HydrophobicContact CG2-CE1 3.96Å; I72-A84 HydrophobicContact CD1-CB 4.36Å; I72-D88 HydrophobicContact CG2-CB 4.38Å; I72-V89 CarbonylContact C-O 3.52Å; I72-V89 WeakPolarHBondContact CA-O 3.22Å; I72-I90 HydrophobicContact CG1-CG1 4.37Å
73D96.4Very high96.5Very high3 Ų357.8 Ų57.82%0.01628%0.28CS..THydrogen-bonded Turntrans50.745.4-172.7-62-25.7000112.8K75 D88 V89 K122 R145 L164D73-K75 PolarHBondContact O-N 2.79Å; D73-K75 VanDerWaalsContact O-N 3.17Å; D73-D88 WeakPolarHBondContact OD1-CA 3.45Å; D73-V89 PolarHBondContact N-O 3.37Å; D73-V89 PolarHBondContact OD1-N 2.99Å; D73-V89 VanDerWaalsContact OD1-N 3.09Å; D73-K122 VanDerWaalsContact CG-NZ 3.28Å; D73-K122 WeakPolarHBondContact OD1-CD 3.44Å; D73-K122 IonicContact OD1-NZ 3.89Å; D73-K122 PolarHBondContact OD1-NZ 2.84Å; D73-K122 WeakPolarHBondContact OD2-CE 3.33Å; D73-K122 IonicContact OD2-NZ 2.66Å; D73-K122 PolarHBondContact OD2-NZ 3.33Å; D73-R145 IonicContact OD2-CZ 3.38Å; D73-R145 IonicContact OD2-NH2 3.19Å; D73-R145 PolarHBondContact OD2-NH2 2.88Å; D73-L164 HydrophobicContact CB-CD2 3.78Å
74G94.6Very high96.5Very high45 Ų4551 Ų5146%0.46425%0.25SS..THydrogen-bonded Turntrans76.3-8.5-178.900000115.4I72I72-G74 VanDerWaalsContact C-N 3.27Å; I72-G74 PolarHBondContact O-N 3.05Å
75K95.8Very high96.5Very high122 Ų12249 Ų4953%0.5324%0.24SC..EExtended strand (participates in β ladder)trans-105.3134.1-179-63.7-174.4179.9-1750111.7K71 I72 D73 R77K71-K75 CarbonylContact C-O 3.55Å; K71-K75 VanDerWaalsContact CA-O 3.31Å; K71-K75 WeakPolarHBondContact CA-O 3.22Å; I72-K75 PolarHBondContact N-O 3.44Å; I72-K75 PolarHBondContact O-N 2.84Å; D73-K75 PolarHBondContact O-N 2.79Å; D73-K75 VanDerWaalsContact O-N 3.17Å; K75-R77 PolarHBondContact O-N 2.88Å
76V97.3Very high96.6Very high59 Ų5949.4 Ų49.436%0.35824%0.242SC..EExtended strand (participates in β ladder)trans-61.4130.2175.7177.50000110.1R68 I70 K71R68-V76 HydrophobicContact CB-CG1 3.64Å; R68-V76 HydrophobicContact CG-CG1 3.85Å; I70-V76 WeakPolarHBondContact O-CA 3.33Å; K71-V76 HydrophobicContact CD-CG2 4.44Å; K71-V76 HydrophobicContact CG-CG2 3.88Å
77R96.9Very high96.6Very high80 Ų8044.1 Ų44.130%0.30222%0.216SC..  trans-123.6120.1175.4-62.5-59.1-177.2-179.72110.1I70 I72 K75 Y82I70-R77 PolarHBondContact O-N 3Å; I72-R77 HydrophobicContact CB-CG 3.87Å; I72-R77 HydrophobicContact CD1-CB 4.05Å; I72-R77 HydrophobicContact CD1-CG 3.95Å; I72-R77 HydrophobicContact CG1-CB 4.25Å; I72-R77 HydrophobicContact CG1-CG 3.96Å; K75-R77 PolarHBondContact O-N 2.88Å; R77-Y82 HydrophobicContact CG-CD1 4.48Å; R77-Y82 HydrophobicContact CG-CD2 4.42Å; R77-Y82 HydrophobicContact CG-CE1 4.47Å; R77-Y82 HydrophobicContact CG-CE2 4.43Å; R77-Y82 HydrophobicContact CG-CG 4.43Å; R77-Y82 PolarHBondContact NH2-OH 3.28Å
78T96.4Very high96.7Very high56 Ų5638.9 Ų38.934%0.34419%0.191SC..  trans-97-1717854.50000112.8C65 R68 I80C65-T78 WeakPolarHBondContact CB-O 3.27Å; R68-T78 HydrophobicContact CG-CG2 4.15Å; T78-I80 PolarHBondContact O-N 2.83Å
79D97.1Very high96.7Very high52 Ų5230.7 Ų30.728%0.27816%0.161SC..  trans-71.4112.6177.9176.613.7000110.8S32 T81 Y82S32-D79 WeakPolarHBondContact CB-OD2 3.46Å; S32-D79 PolarHBondContact OG-OD2 2.97Å; D79-T81 PolarHBondContact O-N 3.33Å; D79-T81 WeakPolarHBondContact OD1-CA 3.21Å; D79-T81 PolarHBondContact OD1-N 3.05Å; D79-T81 PolarHBondContact OD1-OG1 2.95Å; D79-Y82 VanDerWaalsContact O-CB 3.3Å; D79-Y82 WeakPolarHBondContact O-CB 3.45Å; D79-Y82 PolarHBondContact O-N 3.15Å; D79-Y82 VanDerWaalsContact O-N 3.15Å; D79-Y82 PolarHBondContact OD2-N 2.97Å
80I97.2Very high96.9Very high45 Ų4527.7 Ų27.723%0.23115%0.148CC..THydrogen-bonded Turntrans-63-22.3178.159162.9000113.1L44 I45 V61 K62 C65 T78L44-I80 PolarHBondContact N-O 3.32Å; I45-I80 WeakPolarHBondContact CB-O 3.16Å; I45-I80 WeakPolarHBondContact CG2-O 3.34Å; I45-I80 PolarHBondContact N-O 3.42Å; V61-I80 HydrophobicContact CG1-CB 4.09Å; V61-I80 HydrophobicContact CG1-CG2 3.8Å; K62-I80 HydrophobicContact CB-CG2 4.14Å; K62-I80 HydrophobicContact CG-CG2 4.5Å; C65-I80 HydrophobicContact CB-CG2 4.09Å; T78-I80 PolarHBondContact O-N 2.83Å
81T97.4Very high96.9Very high29 Ų2928.3 Ų28.318%0.17815%0.152CC..THydrogen-bonded Turntrans-10516179.942.10000113P29 R30 P31 S32 D79P29-T81 HydrophobicContact CB-CG2 4.08Å; R30-T81 WeakPolarHBondContact O-CB 3.49Å; R30-T81 WeakPolarHBondContact O-CG2 3.29Å; P31-T81 WeakPolarHBondContact CA-O 3.29Å; S32-T81 PolarHBondContact N-O 3.15Å; S32-T81 PolarHBondContact OG-OG1 2.87Å; D79-T81 PolarHBondContact O-N 3.33Å; D79-T81 WeakPolarHBondContact OD1-CA 3.21Å; D79-T81 PolarHBondContact OD1-N 3.05Å; D79-T81 PolarHBondContact OD1-OG1 2.95Å
82Y97.9Very high96.9Very high20 Ų2026.1 Ų26.18%0.07814%0.143CC..  trans-57128.8176.6-173.1-96.2000111.2P35 P43 L44 I72 R77 D79 A84P35-Y82 WeakPolarHBondContact CG-OH 3.42Å; P43-Y82 WeakPolarHBondContact CA-O 3.29Å; L44-Y82 PolarHBondContact N-O 3.39Å; I72-Y82 HydrophobicContact CB-CE1 4.37Å; I72-Y82 HydrophobicContact CD1-CD1 3.41Å; I72-Y82 VanDerWaalsContact CD1-CD1 3.41Å; I72-Y82 HydrophobicContact CD1-CE1 3.87Å; I72-Y82 HydrophobicContact CD1-CG 4.23Å; I72-Y82 HydrophobicContact CG2-CE1 3.96Å; R77-Y82 HydrophobicContact CG-CD1 4.48Å; R77-Y82 HydrophobicContact CG-CD2 4.42Å; R77-Y82 HydrophobicContact CG-CE1 4.47Å; R77-Y82 HydrophobicContact CG-CE2 4.43Å; R77-Y82 HydrophobicContact CG-CG 4.43Å; R77-Y82 PolarHBondContact NH2-OH 3.28Å; D79-Y82 VanDerWaalsContact O-CB 3.3Å; D79-Y82 WeakPolarHBondContact O-CB 3.45Å; D79-Y82 PolarHBondContact O-N 3.15Å; D79-Y82 VanDerWaalsContact O-N 3.15Å; D79-Y82 PolarHBondContact OD2-N 2.97Å; Y82-A84 HydrophobicContact CD1-CB 4.46Å; Y82-A84 PolarHBondContact O-N 3.07Å
83P97.4Very high96.6Very high1 Ų131 Ų311%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-8278.8-177.334.8-37.4000111P31 S32 H36 C41P31-P83 HydrophobicContact CB-CB 4.06Å; S32-P83 WeakPolarHBondContact O-CG 3.43Å; H36-P83 PolarHBondContact CD2-O 3.19Å; C41-P83 HydrophobicContact CB-CB 3.82Å
84A97Very high96.5Very high1 Ų138.2 Ų38.21%0.00820%0.197CC..EExtended strand (participates in β ladder)trans-67.6138.6169.100000109.4C41 L42 I72 Y82 I90 L101C41-A84 CarbonylContact C-O 3.57Å; C41-A84 WeakPolarHBondContact CA-O 3.22Å; C41-A84 WeakPolarHBondContact CB-O 3.46Å; L42-A84 PolarHBondContact N-O 3.23Å; L42-A84 PolarHBondContact O-N 2.82Å; I72-A84 HydrophobicContact CD1-CB 4.36Å; Y82-A84 HydrophobicContact CD1-CB 4.46Å; Y82-A84 PolarHBondContact O-N 3.07Å; A84-I90 HydrophobicContact CB-CD1 4.15Å; A84-L101 HydrophobicContact CB-CD1 3.59Å
85G96.3Very high96.5Very high0 Ų039.5 Ų39.50%020%0.196CC..EExtended strand (participates in β ladder)trans-137.7-160.6-173.600000113.6H36 M87 D88 L101H36-G85 WeakPolarHBondContact CD2-CA 3.4Å; H36-G85 PolarHBondContact CD2-N 3.28Å; G85-M87 PolarHBondContact O-N 3.1Å; G85-D88 PolarHBondContact N-OD2 2.85Å; G85-D88 PolarHBondContact O-N 2.87Å; G85-L101 WeakPolarHBondContact O-CB 3.5Å; G85-L101 WeakPolarHBondContact O-CD1 3.35Å
86F97Very high96.3Very high8 Ų836.1 Ų36.14%0.03520%0.196CC..THydrogen-bonded Turntrans-58.9133.7-175.3-175.9-112.5000111.6D88 I102 Y103 F109 H142 M182 T184 F226F86-D88 PolarHBondContact O-N 2.77Å; F86-I102 HydrophobicContact CE2-CG2 4.4Å; F86-Y103 HydrophobicContact CB-CE2 4.04Å; F86-Y103 AromaticContact CD2-CD2 3.4Å; F86-Y103 HydrophobicContact CD2-CD2 3.4Å; F86-Y103 AromaticContact CD2-CE2 3.43Å; F86-Y103 HydrophobicContact CD2-CE2 3.43Å; F86-Y103 VanDerWaalsContact CD2-CE2 3.43Å; F86-Y103 HydrophobicContact CD2-CG 4.37Å; F86-Y103 AromaticContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CE2 4.08Å; F86-Y103 HydrophobicContact CG-CD2 4.25Å; F86-Y103 AromaticContact CG-CE2 3.85Å; F86-Y103 HydrophobicContact CG-CE2 3.85Å; F86-F109 HydrophobicContact CB-CE1 4.33Å; F86-H142 PolarHBondContact O-NE2 3.03Å; F86-M182 HydrophobicContact CE2-SD 3.48Å; F86-M182 WeakPolarHBondContact CE2-SD 3.46Å; F86-M182 HydrophobicContact CZ-CG 4.35Å; F86-M182 HydrophobicContact CZ-SD 3.59Å; F86-M182 VanDerWaalsContact CZ-SD 3.59Å; F86-T184 HydrophobicContact CD1-CG2 3.76Å; F86-T184 HydrophobicContact CE1-CG2 3.48Å; F86-T184 VanDerWaalsContact CE1-CG2 3.48Å; F86-T184 HydrophobicContact CE2-CG2 4.34Å; F86-T184 HydrophobicContact CG-CG2 4.31Å; F86-T184 HydrophobicContact CZ-CG2 3.8Å; F86-F226 AromaticContact CD1-CD2 3.98Å; F86-F226 HydrophobicContact CD1-CD2 3.98Å; F86-F226 HydrophobicContact CD1-CE2 4.06Å; F86-F226 HydrophobicContact CD1-CG 4.46Å; F86-F226 HydrophobicContact CE1-CB 4.09Å; F86-F226 AromaticContact CE1-CD1 3.92Å; F86-F226 HydrophobicContact CE1-CD1 3.92Å; F86-F226 AromaticContact CE1-CD2 3.55Å; F86-F226 HydrophobicContact CE1-CD2 3.55Å; F86-F226 HydrophobicContact CE1-CE1 4.2Å; F86-F226 AromaticContact CE1-CE2 3.82Å; F86-F226 HydrophobicContact CE1-CE2 3.82Å; F86-F226 AromaticContact CE1-CG 3.6Å; F86-F226 HydrophobicContact CE1-CG 3.6Å; F86-F226 HydrophobicContact CE1-CZ 4.14Å; F86-F226 HydrophobicContact CZ-CG 4.44Å
87M96.8Very high96.2Very high1 Ų135.4 Ų35.41%0.00519%0.188CC..THydrogen-bonded Turntrans65.53.7-179.9-58-65.1-87.900116.6G85 L101 I102 L123 F226 V236G85-M87 PolarHBondContact O-N 3.1Å; M87-L101 PolarHBondContact N-O 3.37Å; M87-I102 HydrophobicContact SD-CG1 4.27Å; M87-L123 WeakPolarHBondContact CB-O 3.48Å; M87-L123 HydrophobicContact CE-CB 3.51Å; M87-L123 HydrophobicContact CE-CD1 3.63Å; M87-L123 HydrophobicContact CE-CG 3.68Å; M87-F226 HydrophobicContact CE-CE1 4.3Å; M87-F226 HydrophobicContact CG-CE1 4.36Å; M87-F226 HydrophobicContact CG-CZ 4.07Å; M87-V236 HydrophobicContact CE-CB 4.32Å; M87-V236 HydrophobicContact CE-CG1 3.73Å; M87-V236 HydrophobicContact CE-CG2 3.9Å
88D97.4Very high96.2Very high0 Ų033.6 Ų33.60%018%0.183CC..  trans-67.4144171.3-69.7-11000110.6H36 I72 D73 G85 F86 R100 L101 K122H36-D88 IonicContact CD2-OD2 3.17Å; H36-D88 PolarHBondContact CD2-OD2 2.99Å; H36-D88 IonicContact CE1-OD1 3.26Å; H36-D88 VanDerWaalsContact NE2-CG 3.26Å; H36-D88 IonicContact NE2-OD1 2.7Å; H36-D88 PolarHBondContact NE2-OD1 2.67Å; H36-D88 IonicContact NE2-OD2 3.4Å; H36-D88 PolarHBondContact NE2-OD2 2.85Å; I72-D88 HydrophobicContact CG2-CB 4.38Å; D73-D88 WeakPolarHBondContact OD1-CA 3.45Å; G85-D88 PolarHBondContact N-OD2 2.85Å; G85-D88 PolarHBondContact O-N 2.87Å; F86-D88 PolarHBondContact O-N 2.77Å; D88-R100 WeakPolarHBondContact O-CA 3.31Å; D88-L101 PolarHBondContact O-N 3.21Å; D88-K122 IonicContact OD1-NZ 3.25Å; D88-K122 PolarHBondContact OD1-NZ 2.76Å
89V97.6Very high96.3Very high1 Ų131 Ų311%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-101.3122.5175.5177.10000108.9I72 D73 F99 I114 A119 K122 L164I72-V89 CarbonylContact C-O 3.52Å; I72-V89 WeakPolarHBondContact CA-O 3.22Å; D73-V89 PolarHBondContact N-O 3.37Å; D73-V89 PolarHBondContact OD1-N 2.99Å; D73-V89 VanDerWaalsContact OD1-N 3.09Å; V89-F99 CarbonylContact C-O 3.57Å; V89-F99 WeakPolarHBondContact CA-O 3.3Å; V89-I114 HydrophobicContact CG1-CD1 4.05Å; V89-I114 HydrophobicContact CG2-CD1 4.29Å; V89-A119 HydrophobicContact CG1-CB 3.91Å; V89-K122 HydrophobicContact CG2-CB 4.37Å; V89-L164 HydrophobicContact CB-CD1 4Å; V89-L164 HydrophobicContact CG2-CD1 4.03Å
90I97.6Very high96.3Very high0 Ų028.5 Ų28.50%015%0.154CC..EExtended strand (participates in β ladder)trans-108.4119.9175.7-55.1174.5000107.9F47 I70 K71 I72 A84 F99 L101F47-I90 HydrophobicContact CD1-CD1 4.01Å; F47-I90 HydrophobicContact CD1-CG2 4.39Å; F47-I90 HydrophobicContact CD2-CD1 4.13Å; F47-I90 HydrophobicContact CE1-CB 4.33Å; F47-I90 HydrophobicContact CE1-CD1 3.94Å; F47-I90 HydrophobicContact CE1-CG2 3.81Å; F47-I90 HydrophobicContact CE2-CD1 4.05Å; F47-I90 HydrophobicContact CG-CD1 4.11Å; F47-I90 HydrophobicContact CZ-CB 4.42Å; F47-I90 HydrophobicContact CZ-CD1 3.97Å; F47-I90 HydrophobicContact CZ-CG2 4.37Å; I70-I90 HydrophobicContact CG2-CG2 4.25Å; K71-I90 WeakPolarHBondContact O-CA 3.36Å; I72-I90 HydrophobicContact CG1-CG1 4.37Å; A84-I90 HydrophobicContact CB-CD1 4.15Å; I90-F99 HydrophobicContact CB-CB 4.44Å; I90-F99 PolarHBondContact N-O 2.96Å; I90-F99 PolarHBondContact O-N 2.84Å; I90-L101 HydrophobicContact CD1-CD1 3.92Å; I90-L101 HydrophobicContact CD1-CD2 4.16Å; I90-L101 HydrophobicContact CD1-CG 3.93Å
91S97.3Very high96.3Very high14 Ų1426.3 Ų26.310%0.09814%0.143CC..EExtended strand (participates in β ladder)trans-117.3134.9-178.7-58.70000110K71 H98K71-S91 PolarHBondContact N-O 2.78Å; K71-S91 PolarHBondContact O-N 3.38Å; S91-H98 VanDerWaalsContact CB-ND1 3.27Å; S91-H98 WeakPolarHBondContact CB-ND1 3.44Å; S91-H98 PolarHBondContact OG-ND1 2.94Å
92I96.4Very high96.2Very high11 Ų1125 Ų256%0.05614%0.135CC..EExtended strand (participates in β ladder)trans-115.9100176-56.5176.1000108.3L52 Y54 K94 T95 G96 E97 F99L52-I92 HydrophobicContact CD1-CD1 4.07Å; Y54-I92 HydrophobicContact CD2-CD1 4.12Å; Y54-I92 HydrophobicContact CE2-CD1 3.75Å; I92-K94 VanDerWaalsContact C-N 3.33Å; I92-K94 PolarHBondContact O-N 3.37Å; I92-T95 WeakPolarHBondContact CB-OG1 3.26Å; I92-T95 HydrophobicContact CG2-CG2 4.18Å; I92-T95 VanDerWaalsContact CG2-OG1 3.27Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.34Å; I92-T95 PolarHBondContact O-N 3.15Å; I92-T95 VanDerWaalsContact O-N 3.15Å; I92-T95 PolarHBondContact O-OG1 3.15Å; I92-G96 PolarHBondContact O-N 3.28Å; I92-E97 PolarHBondContact N-O 3.29Å; I92-F99 HydrophobicContact CD1-CE2 4.04Å
93E91.9Very high96.1Very high103 Ų10324.7 Ų24.748%0.48113%0.133SC..G310 helixtrans-59.8-42.8-169.6-58.7-166.712300112.8F69 K71 T95 G96F69-E93 PolarHBondContact O-N 3.14Å; K71-E93 HydrophobicContact CD-CG 4.11Å; K71-E93 WeakPolarHBondContact CD-OE1 3.28Å; K71-E93 WeakPolarHBondContact CE-OE1 3.41Å; K71-E93 WeakPolarHBondContact CE-OE2 3.43Å; K71-E93 IonicContact NZ-OE1 2.91Å; K71-E93 PolarHBondContact NZ-OE1 2.74Å; K71-E93 IonicContact NZ-OE2 3.03Å; E93-T95 PolarHBondContact O-N 3.35Å; E93-G96 PolarHBondContact O-N 3.36Å
94K93.6Very high96Very high154 Ų15426.1 Ų26.167%0.6714%0.141SC*.G310 helixtrans-62.5-26.7-177.4-171.7168.1-177.4176.30113.7F69 I92F69-K94 HydrophobicContact CD2-CB 4.34Å; F69-K94 HydrophobicContact CD2-CD 3.97Å; F69-K94 HydrophobicContact CE2-CD 3.61Å; F69-K94 HydrophobicContact CG-CB 4.29Å; F69-K94 HydrophobicContact CZ-CD 4.03Å; I92-K94 VanDerWaalsContact C-N 3.33Å; I92-K94 PolarHBondContact O-N 3.37Å
95T93.7Very high95.8Very high73 Ų7326.9 Ų26.945%0.44815%0.146SC..G310 helixtrans-104.1-10.6-179.958.20000112.7I92 E93 E97I92-T95 WeakPolarHBondContact CB-OG1 3.26Å; I92-T95 HydrophobicContact CG2-CG2 4.18Å; I92-T95 VanDerWaalsContact CG2-OG1 3.27Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.34Å; I92-T95 PolarHBondContact O-N 3.15Å; I92-T95 VanDerWaalsContact O-N 3.15Å; I92-T95 PolarHBondContact O-OG1 3.15Å; E93-T95 PolarHBondContact O-N 3.35Å; T95-E97 PolarHBondContact O-N 3.18Å
96G92.9Very high95.7Very high51 Ų5130.9 Ų30.953%0.52616%0.163SC..THydrogen-bonded Turntrans66.310.5-173.400000114.5I92 E93I92-G96 PolarHBondContact O-N 3.28Å; E93-G96 PolarHBondContact O-N 3.36Å
97E94.6Very high95.5Very high44 Ų4431 Ų3121%0.20617%0.167CC..EExtended strand (participates in β ladder)trans-89.4137.6-178.3-63.5-172145.700111.7Y54 I92 T95 F99 R113Y54-E97 PolarHBondContact OH-OE2 3.47Å; I92-E97 PolarHBondContact N-O 3.29Å; T95-E97 PolarHBondContact O-N 3.18Å; E97-F99 HydrophobicContact CB-CE2 3.76Å; E97-F99 HydrophobicContact CB-CZ 3.88Å; E97-F99 VanDerWaalsContact OE2-CZ 3.29Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.44Å; E97-R113 IonicContact OE1-CZ 3.61Å; E97-R113 VanDerWaalsContact OE1-CZ 3.25Å; E97-R113 IonicContact OE1-NE 3.68Å; E97-R113 IonicContact OE1-NH1 2.68Å; E97-R113 IonicContact OE1-NH2 3.57Å; E97-R113 PolarHBondContact OE1-NH2 3.4Å; E97-R113 IonicContact OE2-NH2 3.37Å
98H97.4Very high95.4Very high42 Ų4234.6 Ų34.619%0.19418%0.18CC..EExtended strand (participates in β ladder)trans-122.5139176.7-57.3-70.4000110.6S91 R113 I114 A119S91-H98 VanDerWaalsContact CB-ND1 3.27Å; S91-H98 WeakPolarHBondContact CB-ND1 3.44Å; S91-H98 PolarHBondContact OG-ND1 2.94Å; H98-R113 WeakPolarHBondContact O-CA 3.49Å; H98-I114 HydrophobicContact CB-CD1 4.3Å; H98-I114 HydrophobicContact CB-CG1 3.68Å; H98-I114 PolarHBondContact O-N 3.48Å; H98-A119 HydrophobicContact CB-CB 3.78Å
99F97.5Very high95.3Very high0 Ų034.8 Ų34.80%018%0.181CC..EExtended strand (participates in β ladder)trans-131.1141.9-177.4-55.6-82.6000110.5F47 L52 V89 I90 I92 E97 V111 H112 R113F47-F99 HydrophobicContact CE1-CD2 4.33Å; F47-F99 HydrophobicContact CZ-CB 3.96Å; F47-F99 HydrophobicContact CZ-CD1 4.47Å; F47-F99 AromaticContact CZ-CD2 3.89Å; F47-F99 HydrophobicContact CZ-CD2 3.89Å; F47-F99 HydrophobicContact CZ-CE2 4.5Å; F47-F99 AromaticContact CZ-CG 3.85Å; F47-F99 HydrophobicContact CZ-CG 3.85Å; L52-F99 HydrophobicContact CD1-CE2 4.06Å; L52-F99 HydrophobicContact CD1-CZ 4.14Å; L52-F99 HydrophobicContact CD2-CE1 3.92Å; L52-F99 HydrophobicContact CD2-CE2 4.47Å; L52-F99 HydrophobicContact CD2-CZ 3.75Å; V89-F99 CarbonylContact C-O 3.57Å; V89-F99 WeakPolarHBondContact CA-O 3.3Å; I90-F99 HydrophobicContact CB-CB 4.44Å; I90-F99 PolarHBondContact N-O 2.96Å; I90-F99 PolarHBondContact O-N 2.84Å; I92-F99 HydrophobicContact CD1-CE2 4.04Å; E97-F99 HydrophobicContact CB-CE2 3.76Å; E97-F99 HydrophobicContact CB-CZ 3.88Å; E97-F99 VanDerWaalsContact OE2-CZ 3.29Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.44Å; F99-V111 HydrophobicContact CD1-CG1 3.22Å; F99-V111 HydrophobicContact CE1-CG1 3.46Å; F99-V111 VanDerWaalsContact CE1-CG1 3.46Å; F99-V111 HydrophobicContact CG-CG1 4.03Å; F99-V111 HydrophobicContact CZ-CG1 4.46Å; F99-H112 CarbonylContact C-O 3.6Å; F99-H112 VanDerWaalsContact CA-O 3.27Å; F99-H112 WeakPolarHBondContact CA-O 3.33Å; F99-R113 HydrophobicContact CD1-CG 3.74Å; F99-R113 HydrophobicContact CE1-CG 3.44Å; F99-R113 VanDerWaalsContact CE1-CG 3.44Å; F99-R113 HydrophobicContact CZ-CG 4.45Å
100R97.2Very high95.1Very high0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-111.2132.8165-169.3172-75.9143.7-4.2110.3D88 I102 H112 I114 E118 Y121D88-R100 WeakPolarHBondContact O-CA 3.31Å; R100-I102 HydrophobicContact CB-CD1 4.34Å; R100-I102 HydrophobicContact CB-CG1 4.26Å; R100-I102 HydrophobicContact CG-CD1 4.12Å; R100-I102 HydrophobicContact CG-CG1 3.83Å; R100-I102 PolarHBondContact O-N 2.86Å; R100-H112 PolarHBondContact N-O 3.38Å; R100-H112 WeakPolarHBondContact O-CB 3.49Å; R100-I114 HydrophobicContact CB-CD1 4.25Å; R100-I114 HydrophobicContact CB-CG2 3.98Å; R100-E118 IonicContact CZ-OE1 3.45Å; R100-E118 VanDerWaalsContact NH1-CD 3.3Å; R100-E118 IonicContact NH1-OE1 2.57Å; R100-E118 PolarHBondContact NH1-OE1 3.14Å; R100-E118 PolarHBondContact NH2-O 3.1Å; R100-E118 IonicContact NH2-OE1 3.94Å; R100-Y121 PolarHBondContact NH2-O 3.23Å
101L96.5Very high94.7Very high0 Ų038.6 Ų38.60%020%0.204CC..EExtended strand (participates in β ladder)trans-78.8107.4173.4-70.1-173.5000110.2L42 F47 A84 G85 M87 D88 I90 F109L42-L101 HydrophobicContact CB-CD1 4.47Å; L42-L101 HydrophobicContact CD2-CD2 4.18Å; F47-L101 HydrophobicContact CD2-CD2 4.01Å; F47-L101 HydrophobicContact CE2-CD2 3.92Å; A84-L101 HydrophobicContact CB-CD1 3.59Å; G85-L101 WeakPolarHBondContact O-CB 3.5Å; G85-L101 WeakPolarHBondContact O-CD1 3.35Å; M87-L101 PolarHBondContact N-O 3.37Å; D88-L101 PolarHBondContact O-N 3.21Å; I90-L101 HydrophobicContact CD1-CD1 3.92Å; I90-L101 HydrophobicContact CD1-CD2 4.16Å; I90-L101 HydrophobicContact CD1-CG 3.93Å; L101-F109 HydrophobicContact CB-CD1 4.2Å
102I96.1Very high94.6Very high2 Ų239.5 Ų39.51%0.0121%0.207CC..EExtended strand (participates in β ladder)trans-126.6153.4178.5-56.4-179.1000108.6F86 M87 R100 T110 M182 S237 P239F86-I102 HydrophobicContact CE2-CG2 4.4Å; M87-I102 HydrophobicContact SD-CG1 4.27Å; R100-I102 HydrophobicContact CB-CD1 4.34Å; R100-I102 HydrophobicContact CB-CG1 4.26Å; R100-I102 HydrophobicContact CG-CD1 4.12Å; R100-I102 HydrophobicContact CG-CG1 3.83Å; R100-I102 PolarHBondContact O-N 2.86Å; I102-T110 HydrophobicContact CB-CG2 4.4Å; I102-T110 WeakPolarHBondContact O-CG2 3.41Å; I102-T110 PolarHBondContact O-N 2.83Å; I102-M182 HydrophobicContact CG2-CE 3.52Å; I102-M182 HydrophobicContact CG2-SD 3.77Å; I102-S237 WeakPolarHBondContact CD1-O 3.36Å; I102-P239 HydrophobicContact CB-CG 3.99Å; I102-P239 HydrophobicContact CG2-CG 3.73Å
103Y96.3Very high94.5Very high12 Ų1246.4 Ų46.45%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-77.9138.6173.2-66.9-65.7000111.7F86 R108 F109 T184 L189F86-Y103 HydrophobicContact CB-CE2 4.04Å; F86-Y103 AromaticContact CD2-CD2 3.4Å; F86-Y103 HydrophobicContact CD2-CD2 3.4Å; F86-Y103 AromaticContact CD2-CE2 3.43Å; F86-Y103 HydrophobicContact CD2-CE2 3.43Å; F86-Y103 VanDerWaalsContact CD2-CE2 3.43Å; F86-Y103 HydrophobicContact CD2-CG 4.37Å; F86-Y103 AromaticContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CD2 3.63Å; F86-Y103 HydrophobicContact CE2-CE2 4.08Å; F86-Y103 HydrophobicContact CG-CD2 4.25Å; F86-Y103 AromaticContact CG-CE2 3.85Å; F86-Y103 HydrophobicContact CG-CE2 3.85Å; Y103-R108 CarbonylContact C-O 3.39Å; Y103-R108 WeakPolarHBondContact CA-O 3.48Å; Y103-F109 HydrophobicContact CD1-CD1 4.12Å; Y103-F109 HydrophobicContact CD1-CE1 4.07Å; Y103-F109 HydrophobicContact CD1-CZ 4.46Å; Y103-F109 AromaticContact CE1-CD1 3.91Å; Y103-F109 HydrophobicContact CE1-CD1 3.91Å; Y103-F109 HydrophobicContact CE1-CD2 4.28Å; Y103-F109 AromaticContact CE1-CE1 3.49Å; Y103-F109 HydrophobicContact CE1-CE1 3.49Å; Y103-F109 VanDerWaalsContact CE1-CE1 3.49Å; Y103-F109 AromaticContact CE1-CE2 3.89Å; Y103-F109 HydrophobicContact CE1-CE2 3.89Å; Y103-F109 HydrophobicContact CE1-CG 4.28Å; Y103-F109 AromaticContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE1-CZ 3.48Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE2-CE1 4.27Å; Y103-F109 AromaticContact CZ-CE1 3.61Å; Y103-F109 AromaticContact CZ-CZ 3.52Å; Y103-F109 VanDerWaalsContact OH-CZ 3.29Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.27Å; Y103-T184 HydrophobicContact CE2-CG2 4.43Å; Y103-L189 HydrophobicContact CD1-CD1 3.97Å; Y103-L189 HydrophobicContact CD1-CD2 4.19Å; Y103-L189 HydrophobicContact CD1-CG 4.17Å; Y103-L189 HydrophobicContact CD2-CD1 3.67Å; Y103-L189 HydrophobicContact CE1-CD1 4.06Å; Y103-L189 HydrophobicContact CE1-CD2 4.2Å; Y103-L189 HydrophobicContact CE1-CG 4.5Å; Y103-L189 HydrophobicContact CE2-CD1 3.75Å; Y103-L189 HydrophobicContact CG-CD1 3.78Å; Y103-L189 HydrophobicContact CG-CG 4.21Å
104D94.2Very high94.8Very high31 Ų3142.3 Ų42.317%0.16621%0.214CC..  trans-81.5159.9160.9176.828.4000110.1K106 G107 R108D104-K106 PolarHBondContact O-N 2.82Å; D104-G107 PolarHBondContact O-N 3.42Å; D104-R108 PolarHBondContact N-O 2.79Å; D104-R108 IonicContact OD2-CZ 2.74Å; D104-R108 IonicContact OD2-NE 3.53Å; D104-R108 IonicContact OD2-NH2 3.79Å; D104-R108 PolarHBondContact OD2-NH2 2.79Å
105V94.1Very high94.9Very high18 Ų1839.1 Ų39.111%0.10921%0.207CC..THydrogen-bonded Turntrans-60.5-16.3-179.8-620000114.1G107 G243 R245V105-G107 VanDerWaalsContact C-N 3.29Å; V105-G243 VanDerWaalsContact CG1-CA 3.5Å; V105-R245 HydrophobicContact CB-CB 4.19Å
106K93.4Very high95Very high83 Ų8338.4 Ų38.436%0.36121%0.209SC..THydrogen-bonded Turntrans-86.64.1172.8-59.5-162.7177.7-157.60113.7D104 R108 E251D104-K106 PolarHBondContact O-N 2.82Å; K106-R108 HydrophobicContact CB-CG 4.48Å; K106-E251 WeakPolarHBondContact CE-OE1 3.15Å; K106-E251 WeakPolarHBondContact CE-OE2 3.48Å; K106-E251 VanDerWaalsContact NZ-CD 3.29Å; K106-E251 IonicContact NZ-OE1 2.72Å; K106-E251 PolarHBondContact NZ-OE1 3.34Å; K106-E251 VanDerWaalsContact NZ-OE1 3.14Å; K106-E251 IonicContact NZ-OE2 3.56Å; K106-E251 PolarHBondContact NZ-OE2 2.94Å
107G92.6Very high95.1Very high12 Ų1243.4 Ų43.412%0.12422%0.218CC..SBendtrans75.331.9179.100000114.9H17 D104 V105 L189H17-G107 WeakPolarHBondContact CB-O 3.36Å; D104-G107 PolarHBondContact O-N 3.42Å; V105-G107 VanDerWaalsContact C-N 3.29Å; G107-L189 VanDerWaalsContact CA-CD2 3.4Å; G107-L189 WeakPolarHBondContact O-CD2 3Å
108R95.1Very high95.1Very high76 Ų7642.1 Ų42.129%0.28721%0.212SC..  trans-117149.5-179.3-55.8171.3-63.3-1798.2109.6M19 Y103 D104 K106 T110M19-R108 VanDerWaalsContact CE-CD 3.43Å; M19-R108 HydrophobicContact SD-CG 4.48Å; Y103-R108 CarbonylContact C-O 3.39Å; Y103-R108 WeakPolarHBondContact CA-O 3.48Å; D104-R108 PolarHBondContact N-O 2.79Å; D104-R108 IonicContact OD2-CZ 2.74Å; D104-R108 IonicContact OD2-NE 3.53Å; D104-R108 IonicContact OD2-NH2 3.79Å; D104-R108 PolarHBondContact OD2-NH2 2.79Å; K106-R108 HydrophobicContact CB-CG 4.48Å; R108-T110 PolarHBondContact O-N 3.04Å
109F95.4Very high95Very high4 Ų440.7 Ų40.72%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-68.3121166.7-75.4-66000109.5H17 E40 L42 F86 L101 Y103H17-F109 AromaticContact CD2-CD2 3.58Å; H17-F109 AromaticContact CD2-CE2 3.88Å; H17-F109 AromaticContact NE2-CD2 3.71Å; H17-F109 AromaticContact NE2-CE2 3.59Å; E40-F109 WeakPolarHBondContact O-CZ 3.49Å; L42-F109 HydrophobicContact CB-CD2 3.91Å; L42-F109 HydrophobicContact CB-CE2 4.4Å; L42-F109 HydrophobicContact CB-CG 4.41Å; L42-F109 HydrophobicContact CD2-CB 4.2Å; F86-F109 HydrophobicContact CB-CE1 4.33Å; L101-F109 HydrophobicContact CB-CD1 4.2Å; Y103-F109 HydrophobicContact CD1-CD1 4.12Å; Y103-F109 HydrophobicContact CD1-CE1 4.07Å; Y103-F109 HydrophobicContact CD1-CZ 4.46Å; Y103-F109 AromaticContact CE1-CD1 3.91Å; Y103-F109 HydrophobicContact CE1-CD1 3.91Å; Y103-F109 HydrophobicContact CE1-CD2 4.28Å; Y103-F109 AromaticContact CE1-CE1 3.49Å; Y103-F109 HydrophobicContact CE1-CE1 3.49Å; Y103-F109 VanDerWaalsContact CE1-CE1 3.49Å; Y103-F109 AromaticContact CE1-CE2 3.89Å; Y103-F109 HydrophobicContact CE1-CE2 3.89Å; Y103-F109 HydrophobicContact CE1-CG 4.28Å; Y103-F109 AromaticContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE1-CZ 3.48Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE2-CE1 4.27Å; Y103-F109 AromaticContact CZ-CE1 3.61Å; Y103-F109 AromaticContact CZ-CZ 3.52Å; Y103-F109 VanDerWaalsContact OH-CZ 3.29Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.27Å
110T92.9Very high95Very high44 Ų4446.3 Ų46.327%0.2723%0.232SC..EExtended strand (participates in β ladder)trans-92.9151.2170.1-171.20000110.3I102 R108 H112 P239I102-T110 HydrophobicContact CB-CG2 4.4Å; I102-T110 WeakPolarHBondContact O-CG2 3.41Å; I102-T110 PolarHBondContact O-N 2.83Å; R108-T110 PolarHBondContact O-N 3.04Å; T110-H112 HydrophobicContact CG2-CB 4.3Å; T110-H112 PolarHBondContact O-N 2.95Å; T110-P239 HydrophobicContact CG2-CB 3.93Å; T110-P239 HydrophobicContact CG2-CG 3.53Å
111V88.6Confident95Very high37 Ų3747.9 Ų47.922%0.22424%0.238CC..EExtended strand (participates in β ladder)trans-90.690.3171.6-178.10000106.9F47 R51 L52 F99F47-V111 HydrophobicContact CD2-CG2 4.15Å; F47-V111 HydrophobicContact CE2-CB 4.34Å; F47-V111 HydrophobicContact CE2-CG1 3.93Å; F47-V111 HydrophobicContact CE2-CG2 3.7Å; F47-V111 HydrophobicContact CZ-CG1 4.11Å; R51-V111 HydrophobicContact CB-CG2 3.63Å; R51-V111 HydrophobicContact CG-CG2 4.15Å; L52-V111 HydrophobicContact CD2-CG1 3.78Å; F99-V111 HydrophobicContact CD1-CG1 3.22Å; F99-V111 HydrophobicContact CE1-CG1 3.46Å; F99-V111 VanDerWaalsContact CE1-CG1 3.46Å; F99-V111 HydrophobicContact CG-CG1 4.03Å; F99-V111 HydrophobicContact CZ-CG1 4.46Å
112H95.5Very high95Very high32 Ų3247.9 Ų47.915%0.14824%0.238CC..EExtended strand (participates in β ladder)trans-92.1112.2-179.2-174.863.9000109.7F99 R100 T110 S237F99-H112 CarbonylContact C-O 3.6Å; F99-H112 VanDerWaalsContact CA-O 3.27Å; F99-H112 WeakPolarHBondContact CA-O 3.33Å; R100-H112 PolarHBondContact N-O 3.38Å; R100-H112 WeakPolarHBondContact O-CB 3.49Å; T110-H112 HydrophobicContact CG2-CB 4.3Å; T110-H112 PolarHBondContact O-N 2.95Å; H112-S237 PolarHBondContact CD2-OG 3.09Å; H112-S237 WeakPolarHBondContact NE2-CB 3.46Å; H112-S237 PolarHBondContact NE2-OG 3.08Å
113R95.8Very high95.1Very high156 Ų15647.8 Ų47.859%0.58924%0.238SC*.EExtended strand (participates in β ladder)trans-71.4134.3176.3-73.5177.4173.6-161.5-12.2109.7E97 H98 F99E97-R113 IonicContact OE1-CZ 3.61Å; E97-R113 VanDerWaalsContact OE1-CZ 3.25Å; E97-R113 IonicContact OE1-NE 3.68Å; E97-R113 IonicContact OE1-NH1 2.68Å; E97-R113 IonicContact OE1-NH2 3.57Å; E97-R113 PolarHBondContact OE1-NH2 3.4Å; E97-R113 IonicContact OE2-NH2 3.37Å; H98-R113 WeakPolarHBondContact O-CA 3.49Å; F99-R113 HydrophobicContact CD1-CG 3.74Å; F99-R113 HydrophobicContact CE1-CG 3.44Å; F99-R113 VanDerWaalsContact CE1-CG 3.44Å; F99-R113 HydrophobicContact CZ-CG 4.45Å
114I96.9Very high95.2Very high18 Ų1847.2 Ų47.29%0.09224%0.236CC..EExtended strand (participates in β ladder)trans-127.5163.7-179.562.5168.8000110.7V89 H98 R100 E118 A119V89-I114 HydrophobicContact CG1-CD1 4.05Å; V89-I114 HydrophobicContact CG2-CD1 4.29Å; H98-I114 HydrophobicContact CB-CD1 4.3Å; H98-I114 HydrophobicContact CB-CG1 3.68Å; H98-I114 PolarHBondContact O-N 3.48Å; R100-I114 HydrophobicContact CB-CD1 4.25Å; R100-I114 HydrophobicContact CB-CG2 3.98Å; I114-E118 HydrophobicContact CB-CB 4.29Å; I114-E118 HydrophobicContact CB-CG 4.27Å; I114-E118 HydrophobicContact CD1-CB 4.44Å; I114-E118 HydrophobicContact CD1-CG 4.23Å; I114-E118 HydrophobicContact CG2-CG 4.45Å; I114-A119 HydrophobicContact CD1-CB 3.83Å; I114-A119 HydrophobicContact CG1-CB 4.41Å
115T96.8Very high95.3Very high87 Ų8746.4 Ų46.453%0.53423%0.231SC..  trans-76.7161.8174.262.60000111.3E117 E118 A119T115-E117 VanDerWaalsContact C-N 3.25Å; T115-E117 PolarHBondContact O-N 2.78Å; T115-E118 PolarHBondContact O-N 3.43Å; T115-E118 PolarHBondContact OG1-N 2.86Å; T115-A119 WeakPolarHBondContact O-CB 3.35Å; T115-A119 PolarHBondContact O-N 3.48Å
116A95.5Very high95.5Very high58 Ų5845.6 Ų45.648%0.47923%0.225SC..THydrogen-bonded Turntrans-61.2-33.3176.500000112.7A119A116-A119 WeakPolarHBondContact O-CB 3.41Å; A116-A119 PolarHBondContact O-N 2.72Å
117E94.6Very high95.7Very high155 Ų15546.7 Ų46.772%0.72423%0.23SC*.THydrogen-bonded Turntrans-65.5-44.4175.5-65-179.1173.600112T115 A119 K120T115-E117 VanDerWaalsContact C-N 3.25Å; T115-E117 PolarHBondContact O-N 2.78Å; E117-A119 PolarHBondContact O-N 2.88Å; E117-K120 PolarHBondContact O-N 2.9Å
118E94.7Very high95.9Very high18 Ų1851.1 Ų51.18%0.08425%0.246CC..G310 helixtrans-69.1-27.1177.9-177.2166-156.100112R100 I114 T115 K120 Y121 V236 S237R100-E118 IonicContact CZ-OE1 3.45Å; R100-E118 VanDerWaalsContact NH1-CD 3.3Å; R100-E118 IonicContact NH1-OE1 2.57Å; R100-E118 PolarHBondContact NH1-OE1 3.14Å; R100-E118 PolarHBondContact NH2-O 3.1Å; R100-E118 IonicContact NH2-OE1 3.94Å; I114-E118 HydrophobicContact CB-CB 4.29Å; I114-E118 HydrophobicContact CB-CG 4.27Å; I114-E118 HydrophobicContact CD1-CB 4.44Å; I114-E118 HydrophobicContact CD1-CG 4.23Å; I114-E118 HydrophobicContact CG2-CG 4.45Å; T115-E118 PolarHBondContact O-N 3.43Å; T115-E118 PolarHBondContact OG1-N 2.86Å; E118-K120 PolarHBondContact O-N 2.7Å; E118-Y121 HydrophobicContact CB-CE1 4.33Å; E118-Y121 HydrophobicContact CG-CE1 4.17Å; E118-Y121 PolarHBondContact O-N 2.72Å; E118-Y121 VanDerWaalsContact O-O 3.09Å; E118-V236 VanDerWaalsContact OE1-CA 3.22Å; E118-V236 WeakPolarHBondContact OE1-CA 3.36Å; E118-S237 VanDerWaalsContact CD-OG 3.24Å; E118-S237 PolarHBondContact OE1-N 2.93Å; E118-S237 PolarHBondContact OE1-OG 3.06Å; E118-S237 VanDerWaalsContact OE2-CB 3.25Å; E118-S237 WeakPolarHBondContact OE2-CB 3.28Å; E118-S237 PolarHBondContact OE2-OG 3.25Å
119A96.3Very high95.9Very high11 Ų1150.4 Ų50.49%0.09125%0.247CC..G310 helixtrans-70.5-15.9177.400000113.8V89 H98 I114 T115 A116 E117 Y121 L164V89-A119 HydrophobicContact CG1-CB 3.91Å; H98-A119 HydrophobicContact CB-CB 3.78Å; I114-A119 HydrophobicContact CD1-CB 3.83Å; I114-A119 HydrophobicContact CG1-CB 4.41Å; T115-A119 WeakPolarHBondContact O-CB 3.35Å; T115-A119 PolarHBondContact O-N 3.48Å; A116-A119 WeakPolarHBondContact O-CB 3.41Å; A116-A119 PolarHBondContact O-N 2.72Å; E117-A119 PolarHBondContact O-N 2.88Å; A119-Y121 VanDerWaalsContact C-N 3.27Å; A119-Y121 PolarHBondContact O-N 3.25Å; A119-L164 WeakPolarHBondContact O-CD1 3.45Å
120K96.7Very high96Very high118 Ų11854.3 Ų54.351%0.51327%0.268SS..G310 helixtrans-73.2-19.3178-65.1-176.8-179.5-176.50113.3E117 E118 L164E117-K120 PolarHBondContact O-N 2.9Å; E118-K120 PolarHBondContact O-N 2.7Å; K120-L164 WeakPolarHBondContact O-CB 3.42Å; K120-L164 PolarHBondContact O-N 2.92Å
121Y97.2Very high96.1Very high34 Ų3458.6 Ų58.613%0.13329%0.288CS..EExtended strand (participates in β ladder)trans-131.4162.9-177.671.9-89.4000112.4R100 E118 A119 R161 I162 W235 V236R100-Y121 PolarHBondContact NH2-O 3.23Å; E118-Y121 HydrophobicContact CB-CE1 4.33Å; E118-Y121 HydrophobicContact CG-CE1 4.17Å; E118-Y121 PolarHBondContact O-N 2.72Å; E118-Y121 VanDerWaalsContact O-O 3.09Å; A119-Y121 VanDerWaalsContact C-N 3.27Å; A119-Y121 PolarHBondContact O-N 3.25Å; Y121-R161 HydrophobicContact CD2-CG 3.72Å; Y121-R161 HydrophobicContact CE2-CG 4.43Å; Y121-R161 HydrophobicContact CG-CG 4.23Å; Y121-R161 VanDerWaalsContact CG-NE 3.33Å; Y121-I162 CarbonylContact C-O 3.57Å; Y121-I162 VanDerWaalsContact CA-O 3.22Å; Y121-I162 WeakPolarHBondContact CA-O 3.16Å; Y121-I162 WeakPolarHBondContact CB-O 3.46Å; Y121-W235 PolarHBondContact OH-O 2.76Å; Y121-V236 HydrophobicContact CE2-CG1 4.22Å
122K97.1Very high96.4Very high0 Ų058 Ų580%029%0.289CS..EExtended strand (participates in β ladder)trans-142.7162.7166.871.5174.6-174165.60112.1D73 D88 V89 C124 D143 R161 I162 L164D73-K122 VanDerWaalsContact CG-NZ 3.28Å; D73-K122 WeakPolarHBondContact OD1-CD 3.44Å; D73-K122 IonicContact OD1-NZ 3.89Å; D73-K122 PolarHBondContact OD1-NZ 2.84Å; D73-K122 WeakPolarHBondContact OD2-CE 3.33Å; D73-K122 IonicContact OD2-NZ 2.66Å; D73-K122 PolarHBondContact OD2-NZ 3.33Å; D88-K122 IonicContact OD1-NZ 3.25Å; D88-K122 PolarHBondContact OD1-NZ 2.76Å; V89-K122 HydrophobicContact CG2-CB 4.37Å; K122-C124 VanDerWaalsContact CE-SG 3.6Å; K122-D143 VanDerWaalsContact CE-OD2 3.31Å; K122-D143 WeakPolarHBondContact CE-OD2 3.44Å; K122-D143 IonicContact NZ-OD2 2.75Å; K122-D143 PolarHBondContact NZ-OD2 3.24Å; K122-R161 WeakPolarHBondContact O-CA 3.39Å; K122-I162 PolarHBondContact N-O 2.81Å; K122-I162 PolarHBondContact O-N 2.85Å; K122-L164 HydrophobicContact CD-CD2 3.81Å; K122-L164 HydrophobicContact CG-CD2 3.74Å; K122-L164 HydrophobicContact CG-CG 4.33Å
123L97.6Very high96.4Very high0 Ų062.2 Ų62.20%032%0.317CS..EExtended strand (participates in β ladder)trans-97138.9173.3-55.1-176.1000110.2M87 T159 V160 R161 F226 I228 W235 V236M87-L123 WeakPolarHBondContact CB-O 3.48Å; M87-L123 HydrophobicContact CE-CB 3.51Å; M87-L123 HydrophobicContact CE-CD1 3.63Å; M87-L123 HydrophobicContact CE-CG 3.68Å; L123-T159 HydrophobicContact CB-CG2 3.66Å; L123-T159 HydrophobicContact CD1-CG2 4.3Å; L123-T159 HydrophobicContact CD2-CG2 4.42Å; L123-T159 HydrophobicContact CG-CG2 4.35Å; L123-V160 CarbonylContact C-O 3.51Å; L123-V160 WeakPolarHBondContact CA-O 3.22Å; L123-R161 HydrophobicContact CD2-CB 3.92Å; L123-R161 HydrophobicContact CD2-CG 4.08Å; L123-F226 HydrophobicContact CB-CE1 3.93Å; L123-F226 HydrophobicContact CB-CZ 4.02Å; L123-F226 HydrophobicContact CD1-CE1 4.5Å; L123-I228 HydrophobicContact CD1-CB 4.42Å; L123-W235 HydrophobicContact CD1-CB 4.22Å; L123-W235 HydrophobicContact CD2-CB 4.36Å; L123-W235 HydrophobicContact CD2-CE3 3.91Å; L123-V236 HydrophobicContact CD1-CG1 3.67Å; L123-V236 HydrophobicContact CD1-CG2 4.32Å; L123-V236 HydrophobicContact CG-CG1 3.76Å
124C97.9Very high96.4Very high0 Ų064.2 Ų64.20%033%0.33CS..EExtended strand (participates in β ladder)trans-133.5121.7176.9-76.80000111.1K122 T141 D143 V160 I162K122-C124 VanDerWaalsContact CE-SG 3.6Å; C124-T141 HydrophobicContact CB-CG2 3.72Å; C124-D143 PolarHBondContact SG-OD1 3.19Å; C124-V160 HydrophobicContact CB-CG2 4.05Å; C124-V160 PolarHBondContact N-O 2.98Å; C124-V160 VanDerWaalsContact O-CG2 3.25Å; C124-V160 WeakPolarHBondContact O-CG2 3.48Å; C124-V160 PolarHBondContact O-N 2.75Å; C124-I162 HydrophobicContact CB-CD1 3.65Å; C124-I162 HydrophobicContact CB-CG1 4.5Å
125K97.9Very high96.3Very high14 Ų1465.9 Ų65.96%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-69.8135.2170.5179.9177.8-178-178.40110.9T141 H142 N157 D158 L222 I225 F226K125-T141 CarbonylContact O-C 3.57Å; K125-T141 VanDerWaalsContact O-CA 3.28Å; K125-T141 WeakPolarHBondContact O-CA 3.48Å; K125-H142 HydrophobicContact CB-CB 4.41Å; K125-H142 PolarHBondContact N-ND1 2.88Å; K125-H142 PolarHBondContact O-N 3.17Å; K125-N157 WeakPolarHBondContact CE-OD1 3.33Å; K125-N157 PolarHBondContact NZ-OD1 3.46Å; K125-D158 CarbonylContact C-O 3.6Å; K125-D158 WeakPolarHBondContact CA-O 3.41Å; K125-L222 PolarHBondContact NZ-O 3.47Å; K125-L222 VanDerWaalsContact NZ-O 3.09Å; K125-I225 WeakPolarHBondContact CD-O 3.39Å; K125-I225 WeakPolarHBondContact CE-O 3.2Å; K125-I225 PolarHBondContact NZ-O 2.83Å; K125-F226 HydrophobicContact CB-CD2 3.53Å; K125-F226 HydrophobicContact CB-CE2 3.44Å; K125-F226 VanDerWaalsContact CB-CE2 3.44Å; K125-F226 HydrophobicContact CB-CG 4.37Å; K125-F226 HydrophobicContact CB-CZ 4.2Å; K125-F226 HydrophobicContact CD-CD2 4.32Å; K125-F226 VanDerWaalsContact N-CE2 3.35Å
126V98Very high96.3Very high0 Ų063 Ų630%033%0.333CS..EExtended strand (participates in β ladder)trans-77.9120.9174-177.10000109.5I129 L139 I154 N157 D158 V160V126-I129 HydrophobicContact CG1-CD1 4.39Å; V126-I129 HydrophobicContact CG1-CG1 3.94Å; V126-L139 HydrophobicContact CG1-CB 4.28Å; V126-L139 HydrophobicContact CG2-CD1 4.16Å; V126-I154 HydrophobicContact CG2-CG2 3.86Å; V126-N157 PolarHBondContact O-N 3.34Å; V126-D158 PolarHBondContact N-O 3.4Å; V126-V160 HydrophobicContact CG2-CG1 3.89Å; V126-V160 HydrophobicContact CG2-CG2 4.46Å
127K96.6Very high96.4Very high107 Ų10762.4 Ų62.447%0.46532%0.324SS..EExtended strand (participates in β ladder)trans-92.1-39.1178.4-83.6-173174.7156.20113.1V140 H142 V156K127-V140 PolarHBondContact N-O 3.11Å; K127-H142 HydrophobicContact CD-CB 4.35Å; K127-H142 HydrophobicContact CG-CB 4.32Å; K127-H142 PolarHBondContact NZ-O 3.03Å; K127-V156 VanDerWaalsContact O-CG1 3.31Å; K127-V156 WeakPolarHBondContact O-CG1 2.94Å
128K96.4Very high96.5Very high104 Ų10456.8 Ų56.845%0.45230%0.298SS..EExtended strand (participates in β ladder)trans-156.2153.8179.357.8-179.1-178.8177.50110.5L130 V140K128-L130 HydrophobicContact CD-CD1 4Å; K128-L130 HydrophobicContact CD-CG 4.35Å; K128-L130 HydrophobicContact CG-CD1 4.47Å; K128-L130 HydrophobicContact CG-CG 4.49Å; K128-V140 HydrophobicContact CD-CB 4.49Å; K128-V140 HydrophobicContact CG-CB 3.72Å; K128-V140 HydrophobicContact CG-CG1 4.5Å; K128-V140 HydrophobicContact CG-CG2 4.05Å; K128-V140 PolarHBondContact N-O 3.21Å; K128-V140 PolarHBondContact O-N 3.48Å
129I96.6Very high96.5Very high61 Ų6155.9 Ų55.931%0.31329%0.294SS..EExtended strand (participates in β ladder)trans-120.8133.1172.4-59.8172.4000106.2V126 H138 L139 I154 V156V126-I129 HydrophobicContact CG1-CD1 4.39Å; V126-I129 HydrophobicContact CG1-CG1 3.94Å; I129-H138 CarbonylContact C-O 3.56Å; I129-H138 WeakPolarHBondContact CA-O 3.29Å; I129-L139 HydrophobicContact CG1-CB 4.41Å; I129-I154 WeakPolarHBondContact CD1-O 3.44Å; I129-V156 HydrophobicContact CD1-CG2 4.44Å; I129-V156 HydrophobicContact CG1-CG2 4.29Å
130L96.1Very high96.6Very high86 Ų8656.5 Ų56.545%0.4530%0.296SS..EExtended strand (participates in β ladder)trans-133.5151.6-175.4-61.3171.7000108.7K128 H138K128-L130 HydrophobicContact CD-CD1 4Å; K128-L130 HydrophobicContact CD-CG 4.35Å; K128-L130 HydrophobicContact CG-CD1 4.47Å; K128-L130 HydrophobicContact CG-CG 4.49Å; L130-H138 PolarHBondContact N-O 2.89Å; L130-H138 PolarHBondContact O-N 3.08Å
131I96.4Very high96.6Very high135 Ų13550.9 Ų50.969%0.69227%0.272SS*.EExtended strand (participates in β ladder)trans-101.3118.6169.3-60.3173.5000106.5
132G94.9Very high96.6Very high24 Ų2450.2 Ų50.225%0.24727%0.27CS..  trans-82.1-170.9177.200000112.5G135 I136G132-G135 PolarHBondContact O-N 3Å; G132-I136 PolarHBondContact N-O 2.8Å
133T95.1Very high96.5Very high120 Ų12050.5 Ų50.574%0.73627%0.271SS*.G310 helixtrans-58.2150172.652.10000110.6G135 I136T133-G135 PolarHBondContact O-N 3.45Å; T133-I136 PolarHBondContact O-N 2.84Å
134K96Very high96.4Very high199 Ų19953.5 Ų53.587%0.86530%0.296SS*.G310 helixtrans60.424.1-176-50.1-177.7177.4-173.80114.2I136K134-I136 VanDerWaalsContact C-N 3.26Å; K134-I136 HydrophobicContact CB-CD1 4.28Å; K134-I136 HydrophobicContact CB-CG1 4.31Å; K134-I136 PolarHBondContact O-N 3.45Å
135G94.6Very high96.2Very high53 Ų5356.1 Ų56.155%0.54631%0.306SS..G310 helixtrans71.216.9176.800000114.4G132 T133 P137G132-G135 PolarHBondContact O-N 3Å; T133-G135 PolarHBondContact O-N 3.45Å; G135-P137 WeakPolarHBondContact O-CD 3.5Å
136I96.6Very high96.2Very high27 Ų2759.6 Ų59.614%0.13833%0.329CS..  trans-80.6121.6-173.9-58.7168.6000110.3G132 T133 K134 H138 Y149G132-I136 PolarHBondContact N-O 2.8Å; T133-I136 PolarHBondContact O-N 2.84Å; K134-I136 VanDerWaalsContact C-N 3.26Å; K134-I136 HydrophobicContact CB-CD1 4.28Å; K134-I136 HydrophobicContact CB-CG1 4.31Å; K134-I136 PolarHBondContact O-N 3.45Å; I136-H138 VanDerWaalsContact CG2-CE1 3.4Å; I136-H138 WeakPolarHBondContact CG2-CE1 3.46Å; I136-Y149 HydrophobicContact CB-CE1 4.49Å; I136-Y149 WeakPolarHBondContact CD1-OH 3.27Å; I136-Y149 HydrophobicContact CG1-CE1 4.29Å; I136-Y149 HydrophobicContact CG2-CD1 4.12Å; I136-Y149 HydrophobicContact CG2-CD2 4.29Å; I136-Y149 HydrophobicContact CG2-CE1 3.67Å; I136-Y149 HydrophobicContact CG2-CE2 3.84Å; I136-Y149 HydrophobicContact CG2-CG 4.41Å
137P97Very high96.1Very high45 Ų4560.7 Ų60.729%0.29233%0.334SS..EExtended strand (participates in β ladder)trans-72139.7176.228.1-32.5000111.8G135 Y149 P150G135-P137 WeakPolarHBondContact O-CD 3.5Å; P137-Y149 PolarHBondContact O-N 3.36Å; P137-P150 HydrophobicContact CB-CG 4.34Å; P137-P150 WeakPolarHBondContact O-CD 3.15Å
138H96.1Very high96Very high36 Ų3663.4 Ų63.417%0.16734%0.341CS..EExtended strand (participates in β ladder)trans-132.2132.3178.5-60.8-32.5000109.8I129 L130 I136 T146 I147 R148I129-H138 CarbonylContact C-O 3.56Å; I129-H138 WeakPolarHBondContact CA-O 3.29Å; L130-H138 PolarHBondContact N-O 2.89Å; L130-H138 PolarHBondContact O-N 3.08Å; I136-H138 VanDerWaalsContact CG2-CE1 3.4Å; I136-H138 WeakPolarHBondContact CG2-CE1 3.46Å; H138-T146 HydrophobicContact CB-CG2 3.96Å; H138-I147 WeakPolarHBondContact CA-O 3.41Å; H138-R148 WeakPolarHBondContact ND1-CG 3.46Å
139L96.4Very high96Very high0 Ų065.8 Ų65.80%035%0.349CS..EExtended strand (participates in β ladder)trans-101147.4165.773.5113.4000110.2V126 I129 T141 T146 I147 P150 V160 I169V126-L139 HydrophobicContact CG1-CB 4.28Å; V126-L139 HydrophobicContact CG2-CD1 4.16Å; I129-L139 HydrophobicContact CG1-CB 4.41Å; L139-T141 HydrophobicContact CD1-CG2 3.56Å; L139-T146 VanDerWaalsContact O-CA 3.27Å; L139-T146 WeakPolarHBondContact O-CA 3.23Å; L139-I147 HydrophobicContact CD1-CB 4.31Å; L139-I147 HydrophobicContact CD1-CD1 4.18Å; L139-I147 HydrophobicContact CD1-CG1 4.38Å; L139-I147 HydrophobicContact CD2-CB 3.72Å; L139-I147 HydrophobicContact CD2-CG2 4.2Å; L139-I147 HydrophobicContact CG-CB 3.86Å; L139-I147 HydrophobicContact CG-CG1 4.45Å; L139-I147 PolarHBondContact N-O 3.45Å; L139-I147 PolarHBondContact O-N 3.06Å; L139-P150 HydrophobicContact CB-CG 4.43Å; L139-P150 HydrophobicContact CD2-CB 3.47Å; L139-P150 VanDerWaalsContact CD2-CB 3.47Å; L139-P150 HydrophobicContact CD2-CG 3.84Å; L139-V160 HydrophobicContact CD1-CG2 4.47Å; L139-I169 HydrophobicContact CD2-CD1 3.42Å; L139-I169 VanDerWaalsContact CD2-CD1 3.42Å
140V97.5Very high96Very high23 Ų2363.7 Ų63.714%0.13934%0.339CS..EExtended strand (participates in β ladder)trans-117.8125.8171.2-178.90000108.8K127 K128 R145 T146K127-V140 PolarHBondContact N-O 3.11Å; K128-V140 HydrophobicContact CD-CB 4.49Å; K128-V140 HydrophobicContact CG-CB 3.72Å; K128-V140 HydrophobicContact CG-CG1 4.5Å; K128-V140 HydrophobicContact CG-CG2 4.05Å; K128-V140 PolarHBondContact N-O 3.21Å; K128-V140 PolarHBondContact O-N 3.48Å; V140-R145 WeakPolarHBondContact CA-O 3.37Å; V140-T146 HydrophobicContact CG2-CG2 4.5Å
141T97.4Very high95.9Very high1 Ų163.1 Ų63.11%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-88.7172-178.759.70000112.5C124 K125 L139 D143 A144 R145 V160 I162C124-T141 HydrophobicContact CB-CG2 3.72Å; K125-T141 CarbonylContact O-C 3.57Å; K125-T141 VanDerWaalsContact O-CA 3.28Å; K125-T141 WeakPolarHBondContact O-CA 3.48Å; L139-T141 HydrophobicContact CD1-CG2 3.56Å; T141-D143 VanDerWaalsContact C-N 3.28Å; T141-D143 WeakPolarHBondContact CB-OD1 3.17Å; T141-D143 PolarHBondContact O-N 3.29Å; T141-D143 PolarHBondContact OG1-OD1 3.29Å; T141-A144 PolarHBondContact O-N 3.19Å; T141-A144 VanDerWaalsContact O-N 3.09Å; T141-R145 PolarHBondContact N-O 3.17Å; T141-R145 WeakPolarHBondContact OG1-CB 3.34Å; T141-R145 PolarHBondContact OG1-N 3.23Å; T141-R145 PolarHBondContact OG1-O 3.04Å; T141-V160 HydrophobicContact CG2-CG2 4.35Å; T141-I162 HydrophobicContact CG2-CD1 4.27Å
142H96.6Very high95.9Very high20 Ų2061.9 Ų61.99%0.09334%0.337CS..THydrogen-bonded Turntrans-62.8-31.1178.677.2-66.9000114.7H36 F86 K125 K127 A144 F226H36-H142 AromaticContact CE1-NE2 3.84Å; F86-H142 PolarHBondContact O-NE2 3.03Å; K125-H142 HydrophobicContact CB-CB 4.41Å; K125-H142 PolarHBondContact N-ND1 2.88Å; K125-H142 PolarHBondContact O-N 3.17Å; K127-H142 HydrophobicContact CD-CB 4.35Å; K127-H142 HydrophobicContact CG-CB 4.32Å; K127-H142 PolarHBondContact NZ-O 3.03Å; H142-A144 VanDerWaalsContact C-N 3.27Å; H142-F226 AromaticContact CE1-CE2 3.8Å; H142-F226 AromaticContact ND1-CE2 3.92Å
143D94.8Very high95.9Very high5 Ų565.2 Ų65.23%0.02735%0.349CS..THydrogen-bonded Turntrans-89.821.3173.868.7-40.2000112.7P35 K122 C124 T141 R145P35-D143 HydrophobicContact CB-CB 4.18Å; P35-D143 WeakPolarHBondContact CB-O 3.35Å; K122-D143 VanDerWaalsContact CE-OD2 3.31Å; K122-D143 WeakPolarHBondContact CE-OD2 3.44Å; K122-D143 IonicContact NZ-OD2 2.75Å; K122-D143 PolarHBondContact NZ-OD2 3.24Å; C124-D143 PolarHBondContact SG-OD1 3.19Å; T141-D143 VanDerWaalsContact C-N 3.28Å; T141-D143 WeakPolarHBondContact CB-OD1 3.17Å; T141-D143 PolarHBondContact O-N 3.29Å; T141-D143 PolarHBondContact OG1-OD1 3.29Å; D143-R145 PolarHBondContact O-N 2.57Å; D143-R145 VanDerWaalsContact O-N 3.16Å; D143-R145 WeakPolarHBondContact OD2-CD 3.27Å; D143-R145 WeakPolarHBondContact OD2-CG 3.37Å; D143-R145 IonicContact OD2-CZ 3.96Å; D143-R145 IonicContact OD2-NE 2.72Å; D143-R145 PolarHBondContact OD2-NE 3.04Å
144A94.9Very high96Very high64 Ų6459.8 Ų59.853%0.52932%0.315SS..  trans61.721.4173.200000115.8T141 H142T141-A144 PolarHBondContact O-N 3.19Å; T141-A144 VanDerWaalsContact O-N 3.09Å; H142-A144 VanDerWaalsContact C-N 3.27Å
145R95Very high96.1Very high55 Ų5556.2 Ų56.221%0.20830%0.3CS..  trans-76.8140.8168.6-61.3176.6-179.9-109.6-1.4109.5D73 V140 T141 D143D73-R145 IonicContact OD2-CZ 3.38Å; D73-R145 IonicContact OD2-NH2 3.19Å; D73-R145 PolarHBondContact OD2-NH2 2.88Å; V140-R145 WeakPolarHBondContact CA-O 3.37Å; T141-R145 PolarHBondContact N-O 3.17Å; T141-R145 WeakPolarHBondContact OG1-CB 3.34Å; T141-R145 PolarHBondContact OG1-N 3.23Å; T141-R145 PolarHBondContact OG1-O 3.04Å; D143-R145 PolarHBondContact O-N 2.57Å; D143-R145 VanDerWaalsContact O-N 3.16Å; D143-R145 WeakPolarHBondContact OD2-CD 3.27Å; D143-R145 WeakPolarHBondContact OD2-CG 3.37Å; D143-R145 IonicContact OD2-CZ 3.96Å; D143-R145 IonicContact OD2-NE 2.72Å; D143-R145 PolarHBondContact OD2-NE 3.04Å
146T96.4Very high96.2Very high87 Ų8756.7 Ų56.753%0.53429%0.292SS..EExtended strand (participates in β ladder)trans-109.2120.7171.2-54.20000108.8H138 L139 V140H138-T146 HydrophobicContact CB-CG2 3.96Å; L139-T146 VanDerWaalsContact O-CA 3.27Å; L139-T146 WeakPolarHBondContact O-CA 3.23Å; V140-T146 HydrophobicContact CG2-CG2 4.5Å
147I96Very high96.2Very high22 Ų2256.8 Ų56.811%0.11329%0.293CS..EExtended strand (participates in β ladder)trans-114.8128.1178.3-51.6175.6000107.8H138 L139 I162 I169H138-I147 WeakPolarHBondContact CA-O 3.41Å; L139-I147 HydrophobicContact CD1-CB 4.31Å; L139-I147 HydrophobicContact CD1-CD1 4.18Å; L139-I147 HydrophobicContact CD1-CG1 4.38Å; L139-I147 HydrophobicContact CD2-CB 3.72Å; L139-I147 HydrophobicContact CD2-CG2 4.2Å; L139-I147 HydrophobicContact CG-CB 3.86Å; L139-I147 HydrophobicContact CG-CG1 4.45Å; L139-I147 PolarHBondContact N-O 3.45Å; L139-I147 PolarHBondContact O-N 3.06Å; I147-I162 HydrophobicContact CD1-CD1 3.65Å; I147-I162 HydrophobicContact CD1-CG1 3.98Å; I147-I169 HydrophobicContact CD1-CD1 4.09Å; I147-I169 HydrophobicContact CD1-CG1 3.77Å; I147-I169 HydrophobicContact CG2-CD1 4.19Å; I147-I169 HydrophobicContact CG2-CG1 4.32Å
148R95.6Very high96.2Very high164 Ų16455 Ų5562%0.61928%0.281SS*.EExtended strand (participates in β ladder)trans-90.2151.3-178.5-51.1-170.9-77.5167.4-3.3109.9H138H138-R148 WeakPolarHBondContact ND1-CG 3.46Å
149Y95.3Very high96.3Very high154 Ų15453.3 Ų53.360%0.60427%0.273SS*.SBendtrans55.153.4179.1-53-81.2000113.9I136 P137I136-Y149 HydrophobicContact CB-CE1 4.49Å; I136-Y149 WeakPolarHBondContact CD1-OH 3.27Å; I136-Y149 HydrophobicContact CG1-CE1 4.29Å; I136-Y149 HydrophobicContact CG2-CD1 4.12Å; I136-Y149 HydrophobicContact CG2-CD2 4.29Å; I136-Y149 HydrophobicContact CG2-CE1 3.67Å; I136-Y149 HydrophobicContact CG2-CE2 3.84Å; I136-Y149 HydrophobicContact CG2-CG 4.41Å; P137-Y149 PolarHBondContact O-N 3.36Å
150P96.5Very high96.3Very high18 Ų1853.3 Ų53.312%0.11727%0.273CS..  trans-62.8158.4167.521.7-26.8000112.8P137 L139 I154P137-P150 HydrophobicContact CB-CG 4.34Å; P137-P150 WeakPolarHBondContact O-CD 3.15Å; L139-P150 HydrophobicContact CB-CG 4.43Å; L139-P150 HydrophobicContact CD2-CB 3.47Å; L139-P150 VanDerWaalsContact CD2-CB 3.47Å; L139-P150 HydrophobicContact CD2-CG 3.84Å; P150-I154 HydrophobicContact CB-CD1 4.2Å
151D95.2Very high96.3Very high73 Ų7355.6 Ų55.639%0.3928%0.279SS..  trans-55.7128.4162.2-173.2-39000110.2L153 I154 F172D151-L153 PolarHBondContact O-N 3.43Å; D151-L153 VanDerWaalsContact O-N 3.09Å; D151-L153 WeakPolarHBondContact OD1-CB 3.5Å; D151-L153 WeakPolarHBondContact OD1-CG 3.32Å; D151-L153 PolarHBondContact OD1-N 2.94Å; D151-I154 HydrophobicContact CB-CD1 3.91Å; D151-I154 HydrophobicContact CB-CG1 4.12Å; D151-I154 WeakPolarHBondContact O-CB 3.44Å; D151-I154 PolarHBondContact O-N 3.17Å; D151-F172 HydrophobicContact CB-CE1 4.48Å
152P95.4Very high96.3Very high109 Ų10955.6 Ų55.671%0.70828%0.279SS*.THydrogen-bonded Turntrans-56.5-21.8178.1-25.934.9000115.5I154 K155P152-I154 VanDerWaalsContact C-N 3.28Å; P152-K155 PolarHBondContact O-NZ 3.04Å
153L96.5Very high96.3Very high95 Ų9556.1 Ų56.150%0.49728%0.283SS..THydrogen-bonded Turntrans-72.3-20.3178.1-64.7174.5000113.1D151 F172D151-L153 PolarHBondContact O-N 3.43Å; D151-L153 VanDerWaalsContact O-N 3.09Å; D151-L153 WeakPolarHBondContact OD1-CB 3.5Å; D151-L153 WeakPolarHBondContact OD1-CG 3.32Å; D151-L153 PolarHBondContact OD1-N 2.94Å; L153-F172 HydrophobicContact CB-CE2 4.27Å; L153-F172 HydrophobicContact CB-CZ 3.68Å; L153-F172 HydrophobicContact CD1-CZ 4.38Å
154I97.2Very high96.3Very high5 Ų556.7 Ų56.73%0.02629%0.285CS..  trans-72.9126.6179.4-62168.3000109.3V126 I129 P150 D151 P152 D158 V160 I169 F172V126-I154 HydrophobicContact CG2-CG2 3.86Å; I129-I154 WeakPolarHBondContact CD1-O 3.44Å; P150-I154 HydrophobicContact CB-CD1 4.2Å; D151-I154 HydrophobicContact CB-CD1 3.91Å; D151-I154 HydrophobicContact CB-CG1 4.12Å; D151-I154 WeakPolarHBondContact O-CB 3.44Å; D151-I154 PolarHBondContact O-N 3.17Å; P152-I154 VanDerWaalsContact C-N 3.28Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; I154-V160 HydrophobicContact CD1-CG1 3.98Å; I154-V160 HydrophobicContact CG2-CG1 4.12Å; I154-I169 HydrophobicContact CD1-CD1 4.04Å; I154-F172 HydrophobicContact CD1-CB 4.34Å; I154-F172 HydrophobicContact CD1-CD1 4.09Å; I154-F172 HydrophobicContact CD1-CG 4.19Å; I154-F172 HydrophobicContact CG1-CB 4.14Å; I154-F172 HydrophobicContact CG1-CD1 3.77Å; I154-F172 HydrophobicContact CG1-CD2 3.82Å; I154-F172 HydrophobicContact CG1-CE1 4.07Å; I154-F172 HydrophobicContact CG1-CE2 4.12Å; I154-F172 HydrophobicContact CG1-CG 3.64Å; I154-F172 HydrophobicContact CG1-CZ 4.25Å
155K96.7Very high96.3Very high124 Ų12461 Ų6154%0.53929%0.294SS..  trans-117.4172.7177.7-58.2-56.1-179.9-154.90111.9P152 D158P152-K155 PolarHBondContact O-NZ 3.04Å; K155-D158 PolarHBondContact N-OD2 3.5Å; K155-D158 VanDerWaalsContact O-CB 3.3Å; K155-D158 WeakPolarHBondContact O-CB 3.42Å; K155-D158 PolarHBondContact O-N 3.23Å
156V96.4Very high96.3Very high63 Ų6362.3 Ų62.338%0.38231%0.309SS..THydrogen-bonded Turntrans-66.9139.5177.2-178.90000109.9K127 I129 D158K127-V156 VanDerWaalsContact O-CG1 3.31Å; K127-V156 WeakPolarHBondContact O-CG1 2.94Å; I129-V156 HydrophobicContact CD1-CG2 4.44Å; I129-V156 HydrophobicContact CG1-CG2 4.29Å; V156-D158 VanDerWaalsContact C-N 3.28Å
157N96.8Very high96.1Very high30 Ų3059.6 Ų59.616%0.1630%0.298CS..THydrogen-bonded Turntrans78.5-7.8-172.4-53.8-68.1000116.5K125 V126 F175K125-N157 WeakPolarHBondContact CE-OD1 3.33Å; K125-N157 PolarHBondContact NZ-OD1 3.46Å; V126-N157 PolarHBondContact O-N 3.34Å; N157-F175 HydrophobicContact CB-CB 4.19Å; N157-F175 HydrophobicContact CB-CD1 4.27Å; N157-F175 HydrophobicContact CB-CG 4.14Å
158D97.3Very high96.1Very high8 Ų865.4 Ų65.44%0.04332%0.322CS..  trans-65.7160.6168.7-65.2-8.7000110.6K125 V126 I154 K155 V156 I173 K174 F175K125-D158 CarbonylContact C-O 3.6Å; K125-D158 WeakPolarHBondContact CA-O 3.41Å; V126-D158 PolarHBondContact N-O 3.4Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; K155-D158 PolarHBondContact N-OD2 3.5Å; K155-D158 VanDerWaalsContact O-CB 3.3Å; K155-D158 WeakPolarHBondContact O-CB 3.42Å; K155-D158 PolarHBondContact O-N 3.23Å; V156-D158 VanDerWaalsContact C-N 3.28Å; D158-I173 WeakPolarHBondContact CA-O 3.47Å; D158-I173 WeakPolarHBondContact CB-O 3.39Å; D158-K174 WeakPolarHBondContact OD1-CA 3.45Å; D158-F175 PolarHBondContact OD1-N 2.99Å
159T97.9Very high96.1Very high0 Ų059.7 Ų59.70%030%0.304CS..EExtended strand (participates in β ladder)trans-112.3128.3175.7-63.40000109.7L123 F172 I173 F226 V227L123-T159 HydrophobicContact CB-CG2 3.66Å; L123-T159 HydrophobicContact CD1-CG2 4.3Å; L123-T159 HydrophobicContact CD2-CG2 4.42Å; L123-T159 HydrophobicContact CG-CG2 4.35Å; T159-F172 CarbonylContact O-C 3.44Å; T159-F172 VanDerWaalsContact O-CA 3.3Å; T159-F172 WeakPolarHBondContact O-CA 3.47Å; T159-I173 PolarHBondContact N-O 3.35Å; T159-I173 PolarHBondContact O-N 2.92Å; T159-F226 HydrophobicContact CG2-CE1 3.69Å; T159-F226 HydrophobicContact CG2-CZ 3.96Å; T159-V227 VanDerWaalsContact CB-O 3.24Å; T159-V227 WeakPolarHBondContact CB-O 3.37Å; T159-V227 WeakPolarHBondContact CG2-O 3.35Å; T159-V227 PolarHBondContact OG1-O 3.07Å
160V97.6Very high96.2Very high0 Ų055.9 Ų55.90%030%0.296CS..EExtended strand (participates in β ladder)trans-101.7141.6174.3-63.20000110.6L123 C124 V126 L139 T141 I154 I162 I169 F172L123-V160 CarbonylContact C-O 3.51Å; L123-V160 WeakPolarHBondContact CA-O 3.22Å; C124-V160 HydrophobicContact CB-CG2 4.05Å; C124-V160 PolarHBondContact N-O 2.98Å; C124-V160 VanDerWaalsContact O-CG2 3.25Å; C124-V160 WeakPolarHBondContact O-CG2 3.48Å; C124-V160 PolarHBondContact O-N 2.75Å; V126-V160 HydrophobicContact CG2-CG1 3.89Å; V126-V160 HydrophobicContact CG2-CG2 4.46Å; L139-V160 HydrophobicContact CD1-CG2 4.47Å; T141-V160 HydrophobicContact CG2-CG2 4.35Å; I154-V160 HydrophobicContact CD1-CG1 3.98Å; I154-V160 HydrophobicContact CG2-CG1 4.12Å; V160-I162 HydrophobicContact CG2-CD1 4.11Å; V160-I162 HydrophobicContact CG2-CG1 3.98Å; V160-I169 HydrophobicContact CB-CD1 4.19Å; V160-I169 HydrophobicContact CB-CG1 4.11Å; V160-I169 HydrophobicContact CB-CG2 4.09Å; V160-I169 HydrophobicContact CG1-CD1 3.91Å; V160-I169 HydrophobicContact CG1-CG1 4.37Å; V160-I169 HydrophobicContact CG1-CG2 4.3Å; V160-I169 HydrophobicContact CG2-CD1 4.4Å; V160-I169 HydrophobicContact CG2-CG1 4.32Å; V160-F172 HydrophobicContact CG1-CB 3.96Å
161R97.1Very high96.1Very high70 Ų7058.8 Ų58.826%0.26431%0.311SS..EExtended strand (participates in β ladder)trans-90122.2167.5-172.3-178-175.8-171.6-0.1107.9Y121 K122 L123 I169 T170 D171 W235Y121-R161 HydrophobicContact CD2-CG 3.72Å; Y121-R161 HydrophobicContact CE2-CG 4.43Å; Y121-R161 HydrophobicContact CG-CG 4.23Å; Y121-R161 VanDerWaalsContact CG-NE 3.33Å; K122-R161 WeakPolarHBondContact O-CA 3.39Å; L123-R161 HydrophobicContact CD2-CB 3.92Å; L123-R161 HydrophobicContact CD2-CG 4.08Å; R161-I169 WeakPolarHBondContact O-CA 3.31Å; R161-T170 WeakPolarHBondContact CG-OG1 3.49Å; R161-T170 PolarHBondContact O-N 2.94Å; R161-T170 PolarHBondContact O-OG1 3.49Å; R161-D171 HydrophobicContact CB-CB 4.23Å; R161-D171 PolarHBondContact N-O 3.14Å; R161-W235 HydrophobicContact CB-CE3 4.15Å; R161-W235 HydrophobicContact CB-CZ3 3.94Å
162I96.9Very high96.2Very high1 Ų157.2 Ų57.21%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-111.4129.1-178.3-61.8171.4000108Y121 K122 C124 T141 I147 V160 K168Y121-I162 CarbonylContact C-O 3.57Å; Y121-I162 VanDerWaalsContact CA-O 3.22Å; Y121-I162 WeakPolarHBondContact CA-O 3.16Å; Y121-I162 WeakPolarHBondContact CB-O 3.46Å; K122-I162 PolarHBondContact N-O 2.81Å; K122-I162 PolarHBondContact O-N 2.85Å; C124-I162 HydrophobicContact CB-CD1 3.65Å; C124-I162 HydrophobicContact CB-CG1 4.5Å; T141-I162 HydrophobicContact CG2-CD1 4.27Å; I147-I162 HydrophobicContact CD1-CD1 3.65Å; I147-I162 HydrophobicContact CD1-CG1 3.98Å; V160-I162 HydrophobicContact CG2-CD1 4.11Å; V160-I162 HydrophobicContact CG2-CG1 3.98Å; I162-K168 WeakPolarHBondContact CA-O 3.41Å
163D96.8Very high96.3Very high32 Ų3252 Ų5217%0.17127%0.267CS..EExtended strand (participates in β ladder)trans-73.6124.2163.9168.523.9000109.1E165 T166 G167 K168 T170D163-E165 VanDerWaalsContact C-N 3.32Å; D163-E165 PolarHBondContact OD1-N 3.38Å; D163-T166 WeakPolarHBondContact OD2-CB 3.4Å; D163-T166 VanDerWaalsContact OD2-CG2 3.24Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.3Å; D163-T166 PolarHBondContact OD2-N 2.82Å; D163-T166 PolarHBondContact OD2-OG1 3.17Å; D163-G167 WeakPolarHBondContact O-CA 3.47Å; D163-G167 PolarHBondContact O-N 3.34Å; D163-K168 PolarHBondContact N-O 3.09Å; D163-T170 HydrophobicContact CB-CG2 3.94Å
164L95.3Very high96.3Very high16 Ų1652.3 Ų52.38%0.08426%0.264CS..THydrogen-bonded Turntrans-74.5-22.9-174.4-71.4176.7000113.2D73 V89 A119 K120 K122D73-L164 HydrophobicContact CB-CD2 3.78Å; V89-L164 HydrophobicContact CB-CD1 4Å; V89-L164 HydrophobicContact CG2-CD1 4.03Å; A119-L164 WeakPolarHBondContact O-CD1 3.45Å; K120-L164 WeakPolarHBondContact O-CB 3.42Å; K120-L164 PolarHBondContact O-N 2.92Å; K122-L164 HydrophobicContact CD-CD2 3.81Å; K122-L164 HydrophobicContact CG-CD2 3.74Å; K122-L164 HydrophobicContact CG-CG 4.33Å
165E93.9Very high96.2Very high154 Ų15453.3 Ų53.372%0.7227%0.269SS*.THydrogen-bonded Turntrans-75.3-54.4177.6-67.5-178.2-174.500110.6D163D163-E165 VanDerWaalsContact C-N 3.32Å; D163-E165 PolarHBondContact OD1-N 3.38Å
166T94.5Very high96.1Very high84 Ų8451.7 Ų51.752%0.51527%0.266SS..THydrogen-bonded Turntrans-84.7-22.5-177.562.80000113.6D163 K168D163-T166 WeakPolarHBondContact OD2-CB 3.4Å; D163-T166 VanDerWaalsContact OD2-CG2 3.24Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.3Å; D163-T166 PolarHBondContact OD2-N 2.82Å; D163-T166 PolarHBondContact OD2-OG1 3.17Å; T166-K168 PolarHBondContact O-N 3.31Å; T166-K168 PolarHBondContact OG1-N 3.5Å
167G93.6Very high96Very high29 Ų2952.4 Ų52.430%0.29927%0.27SS..  trans70.310.6-172.100000114.2D163D163-G167 WeakPolarHBondContact O-CA 3.47Å; D163-G167 PolarHBondContact O-N 3.34Å
168K95.4Very high96Very high144 Ų14452.6 Ų52.663%0.62628%0.28SS*.  trans-90.1156.3179.4-65-177.5-180178.70111.2I162 D163 T166I162-K168 WeakPolarHBondContact CA-O 3.41Å; D163-K168 PolarHBondContact N-O 3.09Å; T166-K168 PolarHBondContact O-N 3.31Å; T166-K168 PolarHBondContact OG1-N 3.5Å
169I96.6Very high95.9Very high44 Ų4453.4 Ų53.423%0.22628%0.284CS..EExtended strand (participates in β ladder)trans-77.2130.8172.2-63.6166.8000108.1L139 I147 I154 V160 R161 D171L139-I169 HydrophobicContact CD2-CD1 3.42Å; L139-I169 VanDerWaalsContact CD2-CD1 3.42Å; I147-I169 HydrophobicContact CD1-CD1 4.09Å; I147-I169 HydrophobicContact CD1-CG1 3.77Å; I147-I169 HydrophobicContact CG2-CD1 4.19Å; I147-I169 HydrophobicContact CG2-CG1 4.32Å; I154-I169 HydrophobicContact CD1-CD1 4.04Å; V160-I169 HydrophobicContact CB-CD1 4.19Å; V160-I169 HydrophobicContact CB-CG1 4.11Å; V160-I169 HydrophobicContact CB-CG2 4.09Å; V160-I169 HydrophobicContact CG1-CD1 3.91Å; V160-I169 HydrophobicContact CG1-CG1 4.37Å; V160-I169 HydrophobicContact CG1-CG2 4.3Å; V160-I169 HydrophobicContact CG2-CD1 4.4Å; V160-I169 HydrophobicContact CG2-CG1 4.32Å; R161-I169 WeakPolarHBondContact O-CA 3.31Å; I169-D171 WeakPolarHBondContact CG2-O 3.31Å
170T95.8Very high95.9Very high74 Ų7454 Ų5445%0.45429%0.287SS..EExtended strand (participates in β ladder)trans-96.2-47.5173.146.60000111.1R161 D163R161-T170 WeakPolarHBondContact CG-OG1 3.49Å; R161-T170 PolarHBondContact O-N 2.94Å; R161-T170 PolarHBondContact O-OG1 3.49Å; D163-T170 HydrophobicContact CB-CG2 3.94Å
171D96.1Very high95.9Very high79 Ų7954 Ų5442%0.42229%0.287SS..EExtended strand (participates in β ladder)trans-146.3166.6-177.4-78-58.1000111R161 I169 W235R161-D171 HydrophobicContact CB-CB 4.23Å; R161-D171 PolarHBondContact N-O 3.14Å; I169-D171 WeakPolarHBondContact CG2-O 3.31Å; D171-W235 HydrophobicContact CB-CH2 3.56Å; D171-W235 HydrophobicContact CB-CZ3 3.65Å
172F97.1Very high95.9Very high40 Ų4050.9 Ų50.918%0.17528%0.275CS..EExtended strand (participates in β ladder)trans-142.6158.5171.670.9-83.5000113.2D151 L153 I154 T159 V160 K174 W235D151-F172 HydrophobicContact CB-CE1 4.48Å; L153-F172 HydrophobicContact CB-CE2 4.27Å; L153-F172 HydrophobicContact CB-CZ 3.68Å; L153-F172 HydrophobicContact CD1-CZ 4.38Å; I154-F172 HydrophobicContact CD1-CB 4.34Å; I154-F172 HydrophobicContact CD1-CD1 4.09Å; I154-F172 HydrophobicContact CD1-CG 4.19Å; I154-F172 HydrophobicContact CG1-CB 4.14Å; I154-F172 HydrophobicContact CG1-CD1 3.77Å; I154-F172 HydrophobicContact CG1-CD2 3.82Å; I154-F172 HydrophobicContact CG1-CE1 4.07Å; I154-F172 HydrophobicContact CG1-CE2 4.12Å; I154-F172 HydrophobicContact CG1-CG 3.64Å; I154-F172 HydrophobicContact CG1-CZ 4.25Å; T159-F172 CarbonylContact O-C 3.44Å; T159-F172 VanDerWaalsContact O-CA 3.3Å; T159-F172 WeakPolarHBondContact O-CA 3.47Å; V160-F172 HydrophobicContact CG1-CB 3.96Å; F172-K174 HydrophobicContact CD2-CG 4.36Å; F172-K174 HydrophobicContact CE2-CG 3.94Å; F172-W235 WeakPolarHBondContact O-CH2 3.37Å
173I97Very high95.9Very high0 Ų050.9 Ų50.90%028%0.276CS..EExtended strand (participates in β ladder)trans-120.6125.4175.8-48.8163.1000108.1D158 T159 V227 K230 W235D158-I173 WeakPolarHBondContact CA-O 3.47Å; D158-I173 WeakPolarHBondContact CB-O 3.39Å; T159-I173 PolarHBondContact N-O 3.35Å; T159-I173 PolarHBondContact O-N 2.92Å; I173-V227 HydrophobicContact CB-CG1 4.12Å; I173-V227 HydrophobicContact CD1-CG1 4.44Å; I173-V227 HydrophobicContact CG2-CG1 3.52Å; I173-K230 HydrophobicContact CG1-CG 4.36Å; I173-K230 HydrophobicContact CG2-CG 3.92Å; I173-W235 HydrophobicContact CD1-CD2 3.55Å; I173-W235 HydrophobicContact CD1-CE3 3.59Å; I173-W235 HydrophobicContact CD1-CG 4.03Å; I173-W235 HydrophobicContact CD1-CH2 4.19Å; I173-W235 HydrophobicContact CD1-CZ2 4.19Å; I173-W235 HydrophobicContact CD1-CZ3 3.92Å; I173-W235 HydrophobicContact CG1-CD2 3.85Å; I173-W235 HydrophobicContact CG1-CE3 3.71Å; I173-W235 HydrophobicContact CG1-CH2 3.37Å; I173-W235 HydrophobicContact CG1-CZ2 3.54Å; I173-W235 HydrophobicContact CG1-CZ3 3.47Å; I173-W235 VanDerWaalsContact CG1-CZ3 3.47Å
174K96.4Very high95.9Very high101 Ų10150.7 Ų50.744%0.43928%0.276SS..  trans-70.4141.4174.2-68-171.7176179.60111.3D158 F172 D176 N179D158-K174 WeakPolarHBondContact OD1-CA 3.45Å; F172-K174 HydrophobicContact CD2-CG 4.36Å; F172-K174 HydrophobicContact CE2-CG 3.94Å; K174-D176 PolarHBondContact O-N 2.79Å; K174-D176 VanDerWaalsContact O-N 3.1Å; K174-N179 PolarHBondContact O-ND2 3.02Å
175F96Very high95.9Very high27 Ų2750.5 Ų50.512%0.11828%0.278CS..  trans-76.293.7167.6175.3-104.8000109.3N157 D158 I195 V208 L222 I225 V227N157-F175 HydrophobicContact CB-CB 4.19Å; N157-F175 HydrophobicContact CB-CD1 4.27Å; N157-F175 HydrophobicContact CB-CG 4.14Å; D158-F175 PolarHBondContact OD1-N 2.99Å; F175-I195 HydrophobicContact CD2-CD1 3.78Å; F175-I195 HydrophobicContact CE2-CD1 3.54Å; F175-V208 HydrophobicContact CZ-CG1 4.38Å; F175-V208 HydrophobicContact CZ-CG2 3.9Å; F175-L222 HydrophobicContact CD1-CD1 4.14Å; F175-L222 HydrophobicContact CE1-CD1 3.34Å; F175-L222 HydrophobicContact CE2-CD1 3.91Å; F175-L222 HydrophobicContact CZ-CD1 3.22Å; F175-I225 HydrophobicContact CD2-CG2 4.39Å; F175-I225 HydrophobicContact CE2-CG2 3.9Å; F175-V227 HydrophobicContact CB-CG2 4.21Å; F175-V227 HydrophobicContact CD2-CG2 3.68Å; F175-V227 HydrophobicContact CG-CG2 4.45Å
176D94.1Very high96Very high90 Ų9045.9 Ų45.948%0.48127%0.272SS..  trans-141.4163.4-179.2-154.9-6.8000110.7K174 N179K174-D176 PolarHBondContact O-N 2.79Å; K174-D176 VanDerWaalsContact O-N 3.1Å; D176-N179 PolarHBondContact O-N 3.25Å
177T94.8Very high96Very high77 Ų7746 Ų4647%0.47228%0.281SS..THydrogen-bonded Turntrans-58.1145.8171.757.10000110.9N179 T196T177-N179 VanDerWaalsContact C-N 3.3Å; T177-N179 PolarHBondContact O-N 2.84Å; T177-T196 WeakPolarHBondContact CG2-O 3.4Å
178G95.3Very high96.1Very high35 Ų3546 Ų4636%0.36127%0.274SS..THydrogen-bonded Turntrans84.1-9-177.200000115.2V194 I195 G231G178-V194 VanDerWaalsContact C-CG1 3.48Å; G178-V194 WeakPolarHBondContact O-CG1 3.33Å; G178-I195 PolarHBondContact N-O 2.8Å; G178-G231 WeakPolarHBondContact O-CA 3.44Å
179N96.9Very high96.2Very high24 Ų2440.6 Ų40.613%0.12825%0.252CS..  trans-87.9148.5177.1-72.6-29.1000113.4K174 D176 T177 I195 V227 K230 G231K174-N179 PolarHBondContact O-ND2 3.02Å; D176-N179 PolarHBondContact O-N 3.25Å; T177-N179 VanDerWaalsContact C-N 3.3Å; T177-N179 PolarHBondContact O-N 2.84Å; N179-I195 PolarHBondContact O-N 2.7Å; N179-V227 HydrophobicContact CB-CG1 3.98Å; N179-K230 WeakPolarHBondContact OD1-CA 3.12Å; N179-G231 PolarHBondContact OD1-N 2.82Å
180L96.7Very high96.1Very high12 Ų1238.5 Ų38.56%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-75.4130.4178.8-164.569.8000110.5I192 V194 V227 I228 G229 G231 A234L180-I192 HydrophobicContact CD1-CG2 3.73Å; L180-I192 HydrophobicContact CD2-CG2 4.08Å; L180-I192 HydrophobicContact CG-CG2 3.82Å; L180-V194 HydrophobicContact CD1-CG2 4.18Å; L180-V227 WeakPolarHBondContact O-CG1 3.5Å; L180-I228 HydrophobicContact CB-CG1 4.25Å; L180-I228 HydrophobicContact CD2-CD1 3.82Å; L180-I228 HydrophobicContact CD2-CG1 3.96Å; L180-I228 HydrophobicContact CG-CD1 4.09Å; L180-I228 HydrophobicContact CG-CG1 3.94Å; L180-I228 PolarHBondContact O-N 3.19Å; L180-G229 PolarHBondContact N-O 3.11Å; L180-G229 PolarHBondContact O-N 3.23Å; L180-G231 WeakPolarHBondContact CB-O 3.35Å; L180-G231 PolarHBondContact N-O 2.85Å; L180-A234 HydrophobicContact CD2-CB 3.8Å
181C97Very high96.2Very high0 Ų036.3 Ų36.30%023%0.225CC..EExtended strand (participates in β ladder)trans-131.5153.9178.375.60000112.8I192 G193 I195 I225 F226C181-I192 VanDerWaalsContact O-CA 3.29Å; C181-I192 WeakPolarHBondContact O-CA 3.42Å; C181-I192 WeakPolarHBondContact O-CG2 3.4Å; C181-G193 PolarHBondContact N-O 3.14Å; C181-G193 PolarHBondContact O-N 2.85Å; C181-G193 PolarHBondContact SG-O 3.12Å; C181-G193 VanDerWaalsContact SG-O 3.33Å; C181-I195 HydrophobicContact CB-CD1 4Å; C181-I195 HydrophobicContact CB-CG1 3.95Å; C181-I225 HydrophobicContact CB-CG2 3.77Å; C181-F226 CarbonylContact C-O 3.48Å; C181-F226 WeakPolarHBondContact CA-O 3.45Å; C181-F226 WeakPolarHBondContact CB-O 3.45Å
182M97.3Very high96.2Very high5 Ų533 Ų333%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-112.9140.4168.3179.6175.2-76.900109.5F86 I102 R191 I192 F226 I228F86-M182 HydrophobicContact CE2-SD 3.48Å; F86-M182 WeakPolarHBondContact CE2-SD 3.46Å; F86-M182 HydrophobicContact CZ-CG 4.35Å; F86-M182 HydrophobicContact CZ-SD 3.59Å; F86-M182 VanDerWaalsContact CZ-SD 3.59Å; I102-M182 HydrophobicContact CG2-CE 3.52Å; I102-M182 HydrophobicContact CG2-SD 3.77Å; M182-R191 WeakPolarHBondContact CA-O 3.35Å; M182-I192 HydrophobicContact CB-CG1 4.15Å; M182-I192 HydrophobicContact CE-CD1 3.29Å; M182-I192 HydrophobicContact CE-CG1 3.41Å; M182-I192 VanDerWaalsContact CE-CG1 3.41Å; M182-I192 HydrophobicContact CG-CG1 4.17Å; M182-F226 PolarHBondContact N-O 2.91Å; M182-F226 PolarHBondContact O-N 3.17Å; M182-I228 HydrophobicContact CB-CD1 4.3Å; M182-I228 HydrophobicContact CB-CG2 4.05Å
183V97.8Very high96.2Very high1 Ų131 Ų311%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-83127.6172.6-177.80000110.5G185 N188 G190 R191 F218 T220 N224V183-G185 WeakPolarHBondContact CG1-O 3.38Å; V183-N188 VanDerWaalsContact CB-O 3.26Å; V183-N188 WeakPolarHBondContact CB-O 3.24Å; V183-N188 HydrophobicContact CG1-CB 4.2Å; V183-N188 WeakPolarHBondContact CG1-O 3.25Å; V183-N188 HydrophobicContact CG2-CB 4.31Å; V183-G190 PolarHBondContact O-N 3.19Å; V183-R191 PolarHBondContact N-O 2.83Å; V183-F218 HydrophobicContact CG2-CE2 3.65Å; V183-F218 HydrophobicContact CG2-CZ 4.35Å; V183-T220 HydrophobicContact CG1-CG2 3.87Å; V183-T220 HydrophobicContact CG2-CG2 3.95Å; V183-N224 CarbonylContact C-O 3.49Å; V183-N224 WeakPolarHBondContact CA-O 3.32Å; V183-N224 HydrophobicContact CG1-CB 4.4Å
184T96.8Very high96.2Very high28 Ų2832.4 Ų32.417%0.17221%0.207CC..  trans-108.35.2-17864.70000114F86 Y103 L189 N224 F226F86-T184 HydrophobicContact CD1-CG2 3.76Å; F86-T184 HydrophobicContact CE1-CG2 3.48Å; F86-T184 VanDerWaalsContact CE1-CG2 3.48Å; F86-T184 HydrophobicContact CE2-CG2 4.34Å; F86-T184 HydrophobicContact CG-CG2 4.31Å; F86-T184 HydrophobicContact CZ-CG2 3.8Å; Y103-T184 HydrophobicContact CE2-CG2 4.43Å; T184-L189 VanDerWaalsContact O-CD1 3.27Å; T184-L189 WeakPolarHBondContact O-CD1 3.36Å; T184-N224 PolarHBondContact N-O 3.33Å; T184-N224 PolarHBondContact OG1-O 2.92Å; T184-F226 HydrophobicContact CG2-CB 3.57Å; T184-F226 HydrophobicContact CG2-CD2 4.38Å; T184-F226 HydrophobicContact CG2-CG 4.29Å
185G95.4Very high96.2Very high13 Ų1327.7 Ų27.713%0.13419%0.186CC..SBendtrans-164.2165177.200000114.6V183 N224V183-G185 WeakPolarHBondContact CG1-O 3.38Å; G185-N224 PolarHBondContact O-ND2 3.32Å
186G94.8Very high96.2Very high57 Ų5729.6 Ų29.659%0.58820%0.2SC*.SBendtrans78.8-164179.800000113.9N188 L189G186-N188 VanDerWaalsContact C-N 3.29Å; G186-N188 PolarHBondContact O-N 3.03Å; G186-L189 WeakPolarHBondContact O-CB 3.44Å; G186-L189 PolarHBondContact O-N 3.3Å
187A94.8Very high96.3Very high86 Ų8629.2 Ų29.271%0.71120%0.198SC*.THydrogen-bonded Turntrans-70.2-24-173.900000114.2L189 R245A187-L189 VanDerWaalsContact C-N 3.35Å; A187-R245 PolarHBondContact O-NH1 3.21Å; A187-R245 VanDerWaalsContact O-NH1 3.16Å
188N96.6Very high96.4Very high28 Ų2829.1 Ų29.115%0.1519%0.189CC..THydrogen-bonded Turntrans-93.412.5-179.9-71.1-44000113V183 G186 G190 R191 F218 A219 T220V183-N188 VanDerWaalsContact CB-O 3.26Å; V183-N188 WeakPolarHBondContact CB-O 3.24Å; V183-N188 HydrophobicContact CG1-CB 4.2Å; V183-N188 WeakPolarHBondContact CG1-O 3.25Å; V183-N188 HydrophobicContact CG2-CB 4.31Å; G186-N188 VanDerWaalsContact C-N 3.29Å; G186-N188 PolarHBondContact O-N 3.03Å; N188-G190 PolarHBondContact O-N 3.17Å; N188-R191 WeakPolarHBondContact O-CB 3.3Å; N188-R191 WeakPolarHBondContact O-CG 3.44Å; N188-R191 PolarHBondContact O-N 3.39Å; N188-R191 VanDerWaalsContact O-N 3.15Å; N188-R191 PolarHBondContact OD1-NH1 3.16Å; N188-F218 HydrophobicContact CB-CD2 3.81Å; N188-F218 HydrophobicContact CB-CE2 4.08Å; N188-F218 WeakPolarHBondContact ND2-CD2 3.16Å; N188-A219 PolarHBondContact ND2-O 2.92Å; N188-A219 VanDerWaalsContact ND2-O 3.15Å; N188-T220 HydrophobicContact CB-CG2 3.74Å
189L96.4Very high96.4Very high31 Ų3131 Ų3116%0.16219%0.189CC..THydrogen-bonded Turntrans-50130.3-179178.366.5000112.6Y103 G107 T184 G186 A187 R191Y103-L189 HydrophobicContact CD1-CD1 3.97Å; Y103-L189 HydrophobicContact CD1-CD2 4.19Å; Y103-L189 HydrophobicContact CD1-CG 4.17Å; Y103-L189 HydrophobicContact CD2-CD1 3.67Å; Y103-L189 HydrophobicContact CE1-CD1 4.06Å; Y103-L189 HydrophobicContact CE1-CD2 4.2Å; Y103-L189 HydrophobicContact CE1-CG 4.5Å; Y103-L189 HydrophobicContact CE2-CD1 3.75Å; Y103-L189 HydrophobicContact CG-CD1 3.78Å; Y103-L189 HydrophobicContact CG-CG 4.21Å; G107-L189 VanDerWaalsContact CA-CD2 3.4Å; G107-L189 WeakPolarHBondContact O-CD2 3Å; T184-L189 VanDerWaalsContact O-CD1 3.27Å; T184-L189 WeakPolarHBondContact O-CD1 3.36Å; G186-L189 WeakPolarHBondContact O-CB 3.44Å; G186-L189 PolarHBondContact O-N 3.3Å; A187-L189 VanDerWaalsContact C-N 3.35Å; L189-R191 VanDerWaalsContact C-N 3.31Å
190G95.6Very high96.4Very high1 Ų138.2 Ų38.21%0.0121%0.214CC..THydrogen-bonded Turntrans83.5-3178.300000115.4V183 N188V183-G190 PolarHBondContact O-N 3.19Å; N188-G190 PolarHBondContact O-N 3.17Å
191R96.9Very high96.3Very high27 Ų2741.5 Ų41.510%0.10223%0.229CC..  trans-74146.5171.8-64178.172.9171.94.3111.3M182 V183 N188 L189 D212 F218 G243 R245M182-R191 WeakPolarHBondContact CA-O 3.35Å; V183-R191 PolarHBondContact N-O 2.83Å; N188-R191 WeakPolarHBondContact O-CB 3.3Å; N188-R191 WeakPolarHBondContact O-CG 3.44Å; N188-R191 PolarHBondContact O-N 3.39Å; N188-R191 VanDerWaalsContact O-N 3.15Å; N188-R191 PolarHBondContact OD1-NH1 3.16Å; L189-R191 VanDerWaalsContact C-N 3.31Å; R191-D212 IonicContact CZ-OD2 3.99Å; R191-D212 IonicContact NE-OD2 2.99Å; R191-D212 PolarHBondContact NE-OD2 3.18Å; R191-D212 IonicContact NH2-OD2 2.63Å; R191-D212 PolarHBondContact NH2-OD2 3.11Å; R191-F218 HydrophobicContact CB-CE1 4.41Å; R191-F218 HydrophobicContact CB-CE2 4.25Å; R191-F218 HydrophobicContact CB-CZ 3.81Å; R191-G243 VanDerWaalsContact CA-O 3.27Å; R191-G243 WeakPolarHBondContact CA-O 3.44Å; R191-R245 HydrophobicContact CG-CB 3.98Å
192I96.9Very high96.2Very high9 Ų947.7 Ų47.75%0.04627%0.269CS..EExtended strand (participates in β ladder)trans-125.7125.3179-59.5173.8000109.9L180 C181 M182 D212 I228 V238 G243L180-I192 HydrophobicContact CD1-CG2 3.73Å; L180-I192 HydrophobicContact CD2-CG2 4.08Å; L180-I192 HydrophobicContact CG-CG2 3.82Å; C181-I192 VanDerWaalsContact O-CA 3.29Å; C181-I192 WeakPolarHBondContact O-CA 3.42Å; C181-I192 WeakPolarHBondContact O-CG2 3.4Å; M182-I192 HydrophobicContact CB-CG1 4.15Å; M182-I192 HydrophobicContact CE-CD1 3.29Å; M182-I192 HydrophobicContact CE-CG1 3.41Å; M182-I192 VanDerWaalsContact CE-CG1 3.41Å; M182-I192 HydrophobicContact CG-CG1 4.17Å; I192-D212 VanDerWaalsContact C-OD1 3.28Å; I192-I228 HydrophobicContact CD1-CD1 4.16Å; I192-I228 HydrophobicContact CG1-CD1 4.38Å; I192-I228 HydrophobicContact CG2-CD1 3.91Å; I192-V238 HydrophobicContact CD1-CB 4.05Å; I192-V238 HydrophobicContact CD1-CG1 3.7Å; I192-G243 PolarHBondContact N-O 3.15Å; I192-G243 VanDerWaalsContact N-O 3.12Å
193G96.6Very high95.9Very high0 Ų051.9 Ų51.90%031%0.314CS..EExtended strand (participates in β ladder)trans-157.3177.4175.600000112.6C181 V210 K211C181-G193 PolarHBondContact N-O 3.14Å; C181-G193 PolarHBondContact O-N 2.85Å; C181-G193 PolarHBondContact SG-O 3.12Å; C181-G193 VanDerWaalsContact SG-O 3.33Å; G193-V210 VanDerWaalsContact C-CG1 3.47Å; G193-K211 CarbonylContact C-O 3.49Å; G193-K211 VanDerWaalsContact CA-O 3.23Å; G193-K211 WeakPolarHBondContact CA-O 3.46Å
194V97.1Very high95.8Very high29 Ų2955.9 Ų55.918%0.17634%0.342CS..EExtended strand (participates in β ladder)trans-88.1135.6179.1179.30000109.5G178 L180 T196 V210 K211 N232G178-V194 VanDerWaalsContact C-CG1 3.48Å; G178-V194 WeakPolarHBondContact O-CG1 3.33Å; L180-V194 HydrophobicContact CD1-CG2 4.18Å; V194-T196 PolarHBondContact O-N 3.37Å; V194-V210 WeakPolarHBondContact O-CA 3.37Å; V194-K211 PolarHBondContact N-O 3.08Å; V194-K211 PolarHBondContact O-N 2.75Å; V194-N232 VanDerWaalsContact CG2-OD1 3.26Å; V194-N232 WeakPolarHBondContact CG2-OD1 3.2Å
195I97.1Very high95.6Very high2 Ų260 Ų601%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-68.5120.3174.8-61.7162.8000108.5F175 G178 N179 C181 V208 I225 V227F175-I195 HydrophobicContact CD2-CD1 3.78Å; F175-I195 HydrophobicContact CE2-CD1 3.54Å; G178-I195 PolarHBondContact N-O 2.8Å; N179-I195 PolarHBondContact O-N 2.7Å; C181-I195 HydrophobicContact CB-CD1 4Å; C181-I195 HydrophobicContact CB-CG1 3.95Å; I195-V208 HydrophobicContact CG1-CG1 4.47Å; I195-V208 HydrophobicContact CG2-CG1 3.76Å; I195-I225 HydrophobicContact CD1-CG2 4.38Å; I195-V227 HydrophobicContact CD1-CG2 4.2Å
196T96.4Very high95.7Very high67 Ų6760.7 Ų60.741%0.41136%0.358SS..EExtended strand (participates in β ladder)trans-98.7-47.1179.153.50000111.8T177 V194 H209 K211T177-T196 WeakPolarHBondContact CG2-O 3.4Å; V194-T196 PolarHBondContact O-N 3.37Å; T196-H209 PolarHBondContact N-O 2.82Å; T196-H209 WeakPolarHBondContact OG1-CB 3.42Å; T196-H209 PolarHBondContact OG1-O 2.8Å; T196-K211 HydrophobicContact CG2-CB 3.64Å
197N96.4Very high95.8Very high82 Ų8259.7 Ų59.744%0.43934%0.341SS..EExtended strand (participates in β ladder)trans-147.2151.7-176.3-169.517.1000111.4V208 H209N197-V208 WeakPolarHBondContact O-CA 3.42Å; N197-H209 HydrophobicContact CB-CB 4.3Å; N197-H209 PolarHBondContact O-N 3.22Å
198R95.5Very high95.9Very high74 Ų7455.6 Ų55.628%0.27931%0.307SS..EExtended strand (participates in β ladder)trans-122.5115.5172176.1-168.5179.7177.2-5.7109.2R200 D206 V208R198-R200 HydrophobicContact CG-CG 4.46Å; R198-D206 IonicContact CZ-OD2 3.99Å; R198-D206 IonicContact NE-OD2 2.85Å; R198-D206 PolarHBondContact NE-OD2 3.02Å; R198-D206 IonicContact NH2-OD2 3.87Å; R198-D206 PolarHBondContact NH2-OD2 3.27Å; R198-V208 HydrophobicContact CG-CG2 4.26Å
199E95.8Very high96Very high76 Ų7657 Ų5736%0.35531%0.312SS..EExtended strand (participates in β ladder)trans-88.1123.7170.2-70.7171.7-174.300109.6H201 D206 V207 H209E199-H201 IonicContact OE2-NE2 3.19Å; E199-D206 WeakPolarHBondContact O-CA 3.38Å; E199-V207 HydrophobicContact CB-CB 4.37Å; E199-V207 PolarHBondContact N-O 3.09Å; E199-V207 PolarHBondContact O-N 3.49Å; E199-H209 IonicContact OE1-CD2 3.02Å; E199-H209 IonicContact OE1-CE1 2.7Å; E199-H209 IonicContact OE1-NE2 3.38Å; E199-H209 PolarHBondContact OE1-NE2 3.33Å; E199-H209 IonicContact OE2-NE2 3.14Å; E199-H209 PolarHBondContact OE2-NE2 3.17Å
200R96Very high96Very high175 Ų17555.5 Ų55.566%0.6631%0.305SS*.  trans-96.4129177.5-66.2-172.9-177.1-173.32.9109.4R198 D206R198-R200 HydrophobicContact CG-CG 4.46Å; R200-D206 WeakPolarHBondContact CA-OD1 3.17Å
201H95.9Very high96Very high81 Ų8160.3 Ų60.338%0.37533%0.325SS..  trans-122.791175.2-61-70.4000108.6E199 G203 S204 F205 D206E199-H201 IonicContact OE2-NE2 3.19Å; H201-G203 PolarHBondContact O-N 3.32Å; H201-S204 CarbonylContact O-C 3.52Å; H201-S204 WeakPolarHBondContact O-CA 3.48Å; H201-S204 PolarHBondContact O-N 3.28Å; H201-F205 PolarHBondContact CD2-O 2.72Å; H201-D206 PolarHBondContact N-OD1 3.37Å
202P93.8Very high95.9Very high129 Ų12959.3 Ų59.384%0.83832%0.322SS*.THydrogen-bonded Turntrans-53.4129.3179.4-25.634.9000111.4S204P202-S204 VanDerWaalsContact C-N 3.26Å; P202-S204 PolarHBondContact O-N 3.25Å
203G91.9Very high95.7Very high94 Ų9463.6 Ų63.697%0.96935%0.349SS*.THydrogen-bonded Turntrans80.7-3.8-176.400000115.4H201H201-G203 PolarHBondContact O-N 3.32Å
204S94.8Very high95.5Very high84 Ų8467.4 Ų67.459%0.58737%0.372SS*.SBendtrans-131.7-166.8178.2-166.70000111.5H201 P202H201-S204 CarbonylContact O-C 3.52Å; H201-S204 WeakPolarHBondContact O-CA 3.48Å; H201-S204 PolarHBondContact O-N 3.28Å; P202-S204 VanDerWaalsContact C-N 3.26Å; P202-S204 PolarHBondContact O-N 3.25Å
205F93.4Very high95.3Very high115 Ų11567.7 Ų67.750%0.50438%0.381SS..  trans-84.4120.7179.5-57.6-73.2000110.9H201 R221H201-F205 PolarHBondContact CD2-O 2.72Å; F205-R221 HydrophobicContact CB-CG 4.23Å; F205-R221 VanDerWaalsContact CE2-NH1 3.32Å
206D96.1Very high95.2Very high28 Ų2871.5 Ų71.515%0.1540%0.401CS..  trans-59.5137.6167.6-73-3.3000111.2R198 E199 R200 H201 R221 L222R198-D206 IonicContact CZ-OD2 3.99Å; R198-D206 IonicContact NE-OD2 2.85Å; R198-D206 PolarHBondContact NE-OD2 3.02Å; R198-D206 IonicContact NH2-OD2 3.87Å; R198-D206 PolarHBondContact NH2-OD2 3.27Å; E199-D206 WeakPolarHBondContact O-CA 3.38Å; R200-D206 WeakPolarHBondContact CA-OD1 3.17Å; H201-D206 PolarHBondContact N-OD1 3.37Å; D206-R221 WeakPolarHBondContact O-CA 3.32Å; D206-L222 HydrophobicContact CB-CB 3.9Å; D206-L222 HydrophobicContact CB-CD2 4.03Å; D206-L222 PolarHBondContact O-N 3.07Å
207V97Very high95.1Very high36 Ų3672.5 Ų72.522%0.21841%0.411CS..EExtended strand (participates in β ladder)trans-109.1139.2179-179.80000108.7E199 A219E199-V207 HydrophobicContact CB-CB 4.37Å; E199-V207 PolarHBondContact N-O 3.09Å; E199-V207 PolarHBondContact O-N 3.49Å; V207-A219 HydrophobicContact CG1-CB 3.84Å
208V97.7Very high95.2Very high0 Ų069.4 Ų69.40%039%0.394CS..EExtended strand (participates in β ladder)trans-126.4128.4-179.7-177.40000108.7F175 I195 N197 R198 V210 A219 T220 L222 I225F175-V208 HydrophobicContact CZ-CG1 4.38Å; F175-V208 HydrophobicContact CZ-CG2 3.9Å; I195-V208 HydrophobicContact CG1-CG1 4.47Å; I195-V208 HydrophobicContact CG2-CG1 3.76Å; N197-V208 WeakPolarHBondContact O-CA 3.42Å; R198-V208 HydrophobicContact CG-CG2 4.26Å; V208-V210 HydrophobicContact CG1-CG2 4.36Å; V208-A219 WeakPolarHBondContact O-CA 3.39Å; V208-T220 PolarHBondContact N-O 3.24Å; V208-T220 PolarHBondContact O-N 2.92Å; V208-L222 HydrophobicContact CG2-CB 4.19Å; V208-L222 HydrophobicContact CG2-CD1 3.92Å; V208-I225 HydrophobicContact CB-CD1 3.26Å; V208-I225 HydrophobicContact CB-CG1 4.49Å; V208-I225 HydrophobicContact CG1-CD1 3.2Å; V208-I225 HydrophobicContact CG2-CD1 3.88Å
209H97.8Very high95.2Very high56 Ų5667.9 Ų67.926%0.25940%0.396SS..EExtended strand (participates in β ladder)trans-90.6132.8176.2-65.6-77.5000109.8T196 N197 E199T196-H209 PolarHBondContact N-O 2.82Å; T196-H209 WeakPolarHBondContact OG1-CB 3.42Å; T196-H209 PolarHBondContact OG1-O 2.8Å; N197-H209 HydrophobicContact CB-CB 4.3Å; N197-H209 PolarHBondContact O-N 3.22Å; E199-H209 IonicContact OE1-CD2 3.02Å; E199-H209 IonicContact OE1-CE1 2.7Å; E199-H209 IonicContact OE1-NE2 3.38Å; E199-H209 PolarHBondContact OE1-NE2 3.33Å; E199-H209 IonicContact OE2-NE2 3.14Å; E199-H209 PolarHBondContact OE2-NE2 3.17Å
210V97.3Very high95.3Very high1 Ų164.9 Ų64.91%0.00638%0.384CS..EExtended strand (participates in β ladder)trans-130137.4-175.7-177.80000108.3G193 V194 V208 S217 F218 I225G193-V210 VanDerWaalsContact C-CG1 3.47Å; V194-V210 WeakPolarHBondContact O-CA 3.37Å; V208-V210 HydrophobicContact CG1-CG2 4.36Å; V210-S217 CarbonylContact O-C 3.58Å; V210-S217 WeakPolarHBondContact O-CA 3.45Å; V210-F218 HydrophobicContact CB-CD2 4.36Å; V210-F218 HydrophobicContact CB-CE1 4.13Å; V210-F218 HydrophobicContact CB-CE2 3.78Å; V210-F218 HydrophobicContact CB-CZ 3.68Å; V210-F218 HydrophobicContact CG1-CE1 3.98Å; V210-F218 HydrophobicContact CG1-CE2 4.05Å; V210-F218 HydrophobicContact CG1-CZ 3.48Å; V210-F218 VanDerWaalsContact CG1-CZ 3.48Å; V210-F218 HydrophobicContact CG2-CE2 4.37Å; V210-F218 PolarHBondContact N-O 2.89Å; V210-F218 PolarHBondContact O-N 3.23Å; V210-I225 HydrophobicContact CG2-CD1 3.83Å
211K96.9Very high95.4Very high102 Ų10262.5 Ų62.544%0.44338%0.375SS..EExtended strand (participates in β ladder)trans-115.5121.1176.3-171173.1-179178.10110G193 V194 T196G193-K211 CarbonylContact C-O 3.49Å; G193-K211 VanDerWaalsContact CA-O 3.23Å; G193-K211 WeakPolarHBondContact CA-O 3.46Å; V194-K211 PolarHBondContact N-O 3.08Å; V194-K211 PolarHBondContact O-N 2.75Å; T196-K211 HydrophobicContact CG2-CB 3.64Å
212D94.4Very high95.4Very high5 Ų559.6 Ų59.63%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-70.3164.1174.1-72.6-23.6000110.6R191 I192 T214 G215 N216 F218R191-D212 IonicContact CZ-OD2 3.99Å; R191-D212 IonicContact NE-OD2 2.99Å; R191-D212 PolarHBondContact NE-OD2 3.18Å; R191-D212 IonicContact NH2-OD2 2.63Å; R191-D212 PolarHBondContact NH2-OD2 3.11Å; I192-D212 VanDerWaalsContact C-OD1 3.28Å; D212-T214 PolarHBondContact O-N 2.7Å; D212-G215 PolarHBondContact O-N 2.92Å; D212-N216 HydrophobicContact CB-CB 4.4Å; D212-N216 PolarHBondContact N-O 3.4Å; D212-F218 VanDerWaalsContact CG-CE1 3.44Å; D212-F218 WeakPolarHBondContact OD1-CE1 3.37Å; D212-F218 WeakPolarHBondContact OD2-CE1 3.24Å
213T91.6Very high95.4Very high100 Ų10056.9 Ų56.961%0.61335%0.346SS*.THydrogen-bonded Turntrans-62.8-22.2178.750.40000114G215 I244T213-G215 VanDerWaalsContact C-N 3.28Å; T213-I244 WeakPolarHBondContact OG1-CD1 3.38Å
214T92.4Very high95.7Very high80 Ų8054.2 Ų54.249%0.49131%0.309SS..THydrogen-bonded Turntrans-83.90.8174.557.90000113.6D212 N216 I244D212-T214 PolarHBondContact O-N 2.7Å; T214-N216 PolarHBondContact OG1-ND2 3.26Å; T214-I244 HydrophobicContact CG2-CD1 4.02Å; T214-I244 HydrophobicContact CG2-CG1 4.42Å; T214-I244 HydrophobicContact CG2-CG2 3.76Å
215G92.4Very high95.8Very high35 Ų3550.3 Ų50.336%0.36128%0.282SS..SBendtrans90.3-5.1-178.900000115D212 T213 S217D212-G215 PolarHBondContact O-N 2.92Å; T213-G215 VanDerWaalsContact C-N 3.28Å; G215-S217 PolarHBondContact O-N 3Å
216N94.9Very high96Very high81 Ų8145 Ų4543%0.43326%0.258SS..  trans-68.3121.9176.4-68.4-32.8000111.1D212 T214D212-N216 HydrophobicContact CB-CB 4.4Å; D212-N216 PolarHBondContact N-O 3.4Å; T214-N216 PolarHBondContact OG1-ND2 3.26Å
217S96.1Very high96.1Very high88 Ų8843.6 Ų43.662%0.61525%0.251SS*.EExtended strand (participates in β ladder)trans-97.3144.4176.2-61.80000111.6V210 G215V210-S217 CarbonylContact O-C 3.58Å; V210-S217 WeakPolarHBondContact O-CA 3.45Å; G215-S217 PolarHBondContact O-N 3Å
218F96.9Very high96.1Very high18 Ų1842 Ų428%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-154161.9173.459.1-80.2000110.7V183 N188 R191 V210 D212 T220V183-F218 HydrophobicContact CG2-CE2 3.65Å; V183-F218 HydrophobicContact CG2-CZ 4.35Å; N188-F218 HydrophobicContact CB-CD2 3.81Å; N188-F218 HydrophobicContact CB-CE2 4.08Å; N188-F218 WeakPolarHBondContact ND2-CD2 3.16Å; R191-F218 HydrophobicContact CB-CE1 4.41Å; R191-F218 HydrophobicContact CB-CE2 4.25Å; R191-F218 HydrophobicContact CB-CZ 3.81Å; V210-F218 HydrophobicContact CB-CD2 4.36Å; V210-F218 HydrophobicContact CB-CE1 4.13Å; V210-F218 HydrophobicContact CB-CE2 3.78Å; V210-F218 HydrophobicContact CB-CZ 3.68Å; V210-F218 HydrophobicContact CG1-CE1 3.98Å; V210-F218 HydrophobicContact CG1-CE2 4.05Å; V210-F218 HydrophobicContact CG1-CZ 3.48Å; V210-F218 VanDerWaalsContact CG1-CZ 3.48Å; V210-F218 HydrophobicContact CG2-CE2 4.37Å; V210-F218 PolarHBondContact N-O 2.89Å; V210-F218 PolarHBondContact O-N 3.23Å; D212-F218 VanDerWaalsContact CG-CE1 3.44Å; D212-F218 WeakPolarHBondContact OD1-CE1 3.37Å; D212-F218 WeakPolarHBondContact OD2-CE1 3.24Å; F218-T220 HydrophobicContact CD2-CG2 4.26Å; F218-T220 HydrophobicContact CE2-CG2 4.47Å
219A96.8Very high95.9Very high41 Ų4142 Ų4234%0.33924%0.241SC..EExtended strand (participates in β ladder)trans-117.5149.6-17900000112N188 V207 V208N188-A219 PolarHBondContact ND2-O 2.92Å; N188-A219 VanDerWaalsContact ND2-O 3.15Å; V207-A219 HydrophobicContact CG1-CB 3.84Å; V208-A219 WeakPolarHBondContact O-CA 3.39Å
220T97.4Very high95.7Very high14 Ų1444.6 Ų44.69%0.08625%0.252CS..EExtended strand (participates in β ladder)trans-145.9163.6171.362.40000111.2V183 N188 V208 F218 I225V183-T220 HydrophobicContact CG1-CG2 3.87Å; V183-T220 HydrophobicContact CG2-CG2 3.95Å; N188-T220 HydrophobicContact CB-CG2 3.74Å; V208-T220 PolarHBondContact N-O 3.24Å; V208-T220 PolarHBondContact O-N 2.92Å; F218-T220 HydrophobicContact CD2-CG2 4.26Å; F218-T220 HydrophobicContact CE2-CG2 4.47Å; T220-I225 WeakPolarHBondContact OG1-CG1 3.38Å
221R96.8Very high95.4Very high125 Ų12546 Ų4647%0.47227%0.266SS..EExtended strand (participates in β ladder)trans-66.6144.8171-64.2-175.9-177.3-173.80.1110.4F205 D206 S223 N224F205-R221 HydrophobicContact CB-CG 4.23Å; F205-R221 VanDerWaalsContact CE2-NH1 3.32Å; D206-R221 WeakPolarHBondContact O-CA 3.32Å; R221-S223 PolarHBondContact O-N 3.02Å; R221-S223 VanDerWaalsContact O-N 3.08Å; R221-N224 WeakPolarHBondContact O-CB 3.22Å; R221-N224 PolarHBondContact O-N 3.39Å
222L96.1Very high94.9Very high20 Ų2047.5 Ų47.511%0.10528%0.279CS..G310 helixtrans-50.8-36177177.763.1000113.8K125 F175 D206 V208 N224 I225K125-L222 PolarHBondContact NZ-O 3.47Å; K125-L222 VanDerWaalsContact NZ-O 3.09Å; F175-L222 HydrophobicContact CD1-CD1 4.14Å; F175-L222 HydrophobicContact CE1-CD1 3.34Å; F175-L222 HydrophobicContact CE2-CD1 3.91Å; F175-L222 HydrophobicContact CZ-CD1 3.22Å; D206-L222 HydrophobicContact CB-CB 3.9Å; D206-L222 HydrophobicContact CB-CD2 4.03Å; D206-L222 PolarHBondContact O-N 3.07Å; V208-L222 HydrophobicContact CG2-CB 4.19Å; V208-L222 HydrophobicContact CG2-CD1 3.92Å; L222-N224 PolarHBondContact O-N 2.65Å; L222-I225 PolarHBondContact O-N 3.34Å
223S95.3Very high94.7Very high72 Ų7255.2 Ų55.250%0.50331%0.312SS..G310 helixtrans-59.3-31.2177.862.10000113.3R221R221-S223 PolarHBondContact O-N 3.02Å; R221-S223 VanDerWaalsContact O-N 3.08Å
224N96.7Very high94.9Very high38 Ų3852 Ų5220%0.20330%0.296CS..G310 helixtrans-91.4-0.9-173.7-62.3-5.3000112.4V183 T184 G185 R221 L222V183-N224 CarbonylContact C-O 3.49Å; V183-N224 WeakPolarHBondContact CA-O 3.32Å; V183-N224 HydrophobicContact CG1-CB 4.4Å; T184-N224 PolarHBondContact N-O 3.33Å; T184-N224 PolarHBondContact OG1-O 2.92Å; G185-N224 PolarHBondContact O-ND2 3.32Å; R221-N224 WeakPolarHBondContact O-CB 3.22Å; R221-N224 PolarHBondContact O-N 3.39Å; L222-N224 PolarHBondContact O-N 2.65Å
225I97.3Very high95Very high1 Ų150.5 Ų50.51%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-93.9137.9177.7-72.2-167.6000110.7K125 F175 C181 I195 V208 V210 T220 L222K125-I225 WeakPolarHBondContact CD-O 3.39Å; K125-I225 WeakPolarHBondContact CE-O 3.2Å; K125-I225 PolarHBondContact NZ-O 2.83Å; F175-I225 HydrophobicContact CD2-CG2 4.39Å; F175-I225 HydrophobicContact CE2-CG2 3.9Å; C181-I225 HydrophobicContact CB-CG2 3.77Å; I195-I225 HydrophobicContact CD1-CG2 4.38Å; V208-I225 HydrophobicContact CB-CD1 3.26Å; V208-I225 HydrophobicContact CB-CG1 4.49Å; V208-I225 HydrophobicContact CG1-CD1 3.2Å; V208-I225 HydrophobicContact CG2-CD1 3.88Å; V210-I225 HydrophobicContact CG2-CD1 3.83Å; T220-I225 WeakPolarHBondContact OG1-CG1 3.38Å; L222-I225 PolarHBondContact O-N 3.34Å
226F98Very high95.1Very high3 Ų349.3 Ų49.31%0.01327%0.267CS..EExtended strand (participates in β ladder)trans-130.2119.3172.7-168.4-72000109.4F86 M87 L123 K125 H142 T159 C181 M182 T184 I228F86-F226 AromaticContact CD1-CD2 3.98Å; F86-F226 HydrophobicContact CD1-CD2 3.98Å; F86-F226 HydrophobicContact CD1-CE2 4.06Å; F86-F226 HydrophobicContact CD1-CG 4.46Å; F86-F226 HydrophobicContact CE1-CB 4.09Å; F86-F226 AromaticContact CE1-CD1 3.92Å; F86-F226 HydrophobicContact CE1-CD1 3.92Å; F86-F226 AromaticContact CE1-CD2 3.55Å; F86-F226 HydrophobicContact CE1-CD2 3.55Å; F86-F226 HydrophobicContact CE1-CE1 4.2Å; F86-F226 AromaticContact CE1-CE2 3.82Å; F86-F226 HydrophobicContact CE1-CE2 3.82Å; F86-F226 AromaticContact CE1-CG 3.6Å; F86-F226 HydrophobicContact CE1-CG 3.6Å; F86-F226 HydrophobicContact CE1-CZ 4.14Å; F86-F226 HydrophobicContact CZ-CG 4.44Å; M87-F226 HydrophobicContact CE-CE1 4.3Å; M87-F226 HydrophobicContact CG-CE1 4.36Å; M87-F226 HydrophobicContact CG-CZ 4.07Å; L123-F226 HydrophobicContact CB-CE1 3.93Å; L123-F226 HydrophobicContact CB-CZ 4.02Å; L123-F226 HydrophobicContact CD1-CE1 4.5Å; K125-F226 HydrophobicContact CB-CD2 3.53Å; K125-F226 HydrophobicContact CB-CE2 3.44Å; K125-F226 VanDerWaalsContact CB-CE2 3.44Å; K125-F226 HydrophobicContact CB-CG 4.37Å; K125-F226 HydrophobicContact CB-CZ 4.2Å; K125-F226 HydrophobicContact CD-CD2 4.32Å; K125-F226 VanDerWaalsContact N-CE2 3.35Å; H142-F226 AromaticContact CE1-CE2 3.8Å; H142-F226 AromaticContact ND1-CE2 3.92Å; T159-F226 HydrophobicContact CG2-CE1 3.69Å; T159-F226 HydrophobicContact CG2-CZ 3.96Å; C181-F226 CarbonylContact C-O 3.48Å; C181-F226 WeakPolarHBondContact CA-O 3.45Å; C181-F226 WeakPolarHBondContact CB-O 3.45Å; M182-F226 PolarHBondContact N-O 2.91Å; M182-F226 PolarHBondContact O-N 3.17Å; T184-F226 HydrophobicContact CG2-CB 3.57Å; T184-F226 HydrophobicContact CG2-CD2 4.38Å; T184-F226 HydrophobicContact CG2-CG 4.29Å; F226-I228 HydrophobicContact CD1-CG2 3.65Å; F226-I228 HydrophobicContact CE1-CG2 4.11Å
227V97.6Very high95.1Very high0 Ų047.3 Ų47.30%026%0.259CS..EExtended strand (participates in β ladder)trans-76.2128.1178.8-1720000109.1T159 I173 F175 N179 L180 I195T159-V227 VanDerWaalsContact CB-O 3.24Å; T159-V227 WeakPolarHBondContact CB-O 3.37Å; T159-V227 WeakPolarHBondContact CG2-O 3.35Å; T159-V227 PolarHBondContact OG1-O 3.07Å; I173-V227 HydrophobicContact CB-CG1 4.12Å; I173-V227 HydrophobicContact CD1-CG1 4.44Å; I173-V227 HydrophobicContact CG2-CG1 3.52Å; F175-V227 HydrophobicContact CB-CG2 4.21Å; F175-V227 HydrophobicContact CD2-CG2 3.68Å; F175-V227 HydrophobicContact CG-CG2 4.45Å; N179-V227 HydrophobicContact CB-CG1 3.98Å; L180-V227 WeakPolarHBondContact O-CG1 3.5Å; I195-V227 HydrophobicContact CD1-CG2 4.2Å
228I96.9Very high94.9Very high2 Ų245 Ų451%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-119.3-8.3-175.459.8164.8000113.4L123 L180 M182 I192 F226 W235 V236 V238L123-I228 HydrophobicContact CD1-CB 4.42Å; L180-I228 HydrophobicContact CB-CG1 4.25Å; L180-I228 HydrophobicContact CD2-CD1 3.82Å; L180-I228 HydrophobicContact CD2-CG1 3.96Å; L180-I228 HydrophobicContact CG-CD1 4.09Å; L180-I228 HydrophobicContact CG-CG1 3.94Å; L180-I228 PolarHBondContact O-N 3.19Å; M182-I228 HydrophobicContact CB-CD1 4.3Å; M182-I228 HydrophobicContact CB-CG2 4.05Å; I192-I228 HydrophobicContact CD1-CD1 4.16Å; I192-I228 HydrophobicContact CG1-CD1 4.38Å; I192-I228 HydrophobicContact CG2-CD1 3.91Å; F226-I228 HydrophobicContact CD1-CG2 3.65Å; F226-I228 HydrophobicContact CE1-CG2 4.11Å; I228-W235 WeakPolarHBondContact O-CB 3.44Å; I228-W235 PolarHBondContact O-N 3.38Å; I228-V236 HydrophobicContact CB-CG2 4.43Å; I228-V238 HydrophobicContact CD1-CG1 4.32Å
229G94.5Very high94.7Very high0 Ų044.7 Ų44.70%024%0.241CC..EExtended strand (participates in β ladder)trans-165.7166.7-177.300000114L180 K233L180-G229 PolarHBondContact N-O 3.11Å; L180-G229 PolarHBondContact O-N 3.23Å; G229-K233 CarbonylContact C-O 3.54Å; G229-K233 WeakPolarHBondContact CA-O 3.17Å
230K93.1Very high94.2Very high111 Ų11154.1 Ų54.148%0.48327%0.268SS..EExtended strand (participates in β ladder)trans-96.6130.6173.3-70.5-178.5177.3176.60109.1I173 N179 N232 K233 W235I173-K230 HydrophobicContact CG1-CG 4.36Å; I173-K230 HydrophobicContact CG2-CG 3.92Å; N179-K230 WeakPolarHBondContact OD1-CA 3.12Å; K230-N232 PolarHBondContact O-N 2.82Å; K230-K233 PolarHBondContact N-O 3.43Å; K230-K233 PolarHBondContact O-N 2.66Å; K230-W235 HydrophobicContact CD-CZ2 4.05Å; K230-W235 HydrophobicContact CG-CZ2 4.29Å
231G90.3Very high93.7Very high30 Ų3055.3 Ų55.331%0.30928%0.283SS..THydrogen-bonded Turntrans57.1-130.1-174.400000111.1G178 N179 L180G178-G231 WeakPolarHBondContact O-CA 3.44Å; N179-G231 PolarHBondContact OD1-N 2.82Å; L180-G231 WeakPolarHBondContact CB-O 3.35Å; L180-G231 PolarHBondContact N-O 2.85Å
232N86.3Confident93.4Very high133 Ų13356.4 Ų56.471%0.71129%0.291SS*.THydrogen-bonded Turntrans-90.1-1.3175.2-70.1-21.2000114.2V194 K230V194-N232 VanDerWaalsContact CG2-OD1 3.26Å; V194-N232 WeakPolarHBondContact CG2-OD1 3.2Å; K230-N232 PolarHBondContact O-N 2.82Å
233K92.2Very high93.2Very high167 Ų16755.7 Ų55.773%0.72629%0.289SS*.EExtended strand (participates in β ladder)trans-96.7108.7-174.8-172.5176179.6177.90111G229 K230G229-K233 CarbonylContact C-O 3.54Å; G229-K233 WeakPolarHBondContact CA-O 3.17Å; K230-K233 PolarHBondContact N-O 3.43Å; K230-K233 PolarHBondContact O-N 2.66Å
234A94.4Very high93.1Very high32 Ų3254.1 Ų54.126%0.26428%0.275SS..EExtended strand (participates in β ladder)trans-66.9142172.300000111.3L180 V236 V238L180-A234 HydrophobicContact CD2-CB 3.8Å; A234-V236 VanDerWaalsContact C-N 3.29Å; A234-V236 WeakPolarHBondContact CB-O 3.3Å; A234-V238 HydrophobicContact CB-CG1 4.28Å
235W94.8Very high93Very high49 Ų4957.9 Ų57.919%0.18629%0.286CS..SBendtrans-86.1-4.8171.6-75.713.2000113.1Y121 L123 R161 D171 F172 I173 I228 K230Y121-W235 PolarHBondContact OH-O 2.76Å; L123-W235 HydrophobicContact CD1-CB 4.22Å; L123-W235 HydrophobicContact CD2-CB 4.36Å; L123-W235 HydrophobicContact CD2-CE3 3.91Å; R161-W235 HydrophobicContact CB-CE3 4.15Å; R161-W235 HydrophobicContact CB-CZ3 3.94Å; D171-W235 HydrophobicContact CB-CH2 3.56Å; D171-W235 HydrophobicContact CB-CZ3 3.65Å; F172-W235 WeakPolarHBondContact O-CH2 3.37Å; I173-W235 HydrophobicContact CD1-CD2 3.55Å; I173-W235 HydrophobicContact CD1-CE3 3.59Å; I173-W235 HydrophobicContact CD1-CG 4.03Å; I173-W235 HydrophobicContact CD1-CH2 4.19Å; I173-W235 HydrophobicContact CD1-CZ2 4.19Å; I173-W235 HydrophobicContact CD1-CZ3 3.92Å; I173-W235 HydrophobicContact CG1-CD2 3.85Å; I173-W235 HydrophobicContact CG1-CE3 3.71Å; I173-W235 HydrophobicContact CG1-CH2 3.37Å; I173-W235 HydrophobicContact CG1-CZ2 3.54Å; I173-W235 HydrophobicContact CG1-CZ3 3.47Å; I173-W235 VanDerWaalsContact CG1-CZ3 3.47Å; I228-W235 WeakPolarHBondContact O-CB 3.44Å; I228-W235 PolarHBondContact O-N 3.38Å; K230-W235 HydrophobicContact CD-CZ2 4.05Å; K230-W235 HydrophobicContact CG-CZ2 4.29Å
236V95.1Very high92.8Very high11 Ų1160.5 Ų60.57%0.06730%0.3CS..SBendtrans-131.6148.9178.1-65.90000110M87 E118 Y121 L123 I228 A234 V238M87-V236 HydrophobicContact CE-CB 4.32Å; M87-V236 HydrophobicContact CE-CG1 3.73Å; M87-V236 HydrophobicContact CE-CG2 3.9Å; E118-V236 VanDerWaalsContact OE1-CA 3.22Å; E118-V236 WeakPolarHBondContact OE1-CA 3.36Å; Y121-V236 HydrophobicContact CE2-CG1 4.22Å; L123-V236 HydrophobicContact CD1-CG1 3.67Å; L123-V236 HydrophobicContact CD1-CG2 4.32Å; L123-V236 HydrophobicContact CG-CG1 3.76Å; I228-V236 HydrophobicContact CB-CG2 4.43Å; A234-V236 VanDerWaalsContact C-N 3.29Å; A234-V236 WeakPolarHBondContact CB-O 3.3Å; V236-V238 PolarHBondContact O-N 3.25Å
237S94.8Very high92.7Very high38 Ų3863.9 Ų63.927%0.26632%0.321SS..PPolyproline II helixtrans-63.5132.9169.260.20000109.6I102 H112 E118I102-S237 WeakPolarHBondContact CD1-O 3.36Å; H112-S237 PolarHBondContact CD2-OG 3.09Å; H112-S237 WeakPolarHBondContact NE2-CB 3.46Å; H112-S237 PolarHBondContact NE2-OG 3.08Å; E118-S237 VanDerWaalsContact CD-OG 3.24Å; E118-S237 PolarHBondContact OE1-N 2.93Å; E118-S237 PolarHBondContact OE1-OG 3.06Å; E118-S237 VanDerWaalsContact OE2-CB 3.25Å; E118-S237 WeakPolarHBondContact OE2-CB 3.28Å; E118-S237 PolarHBondContact OE2-OG 3.25Å
238V92.3Very high92.5Very high41 Ų4171.2 Ų71.225%0.24836%0.358CS..PPolyproline II helixtrans-102.9146-177.4-65.70000110.4I192 I228 A234 V236 K242I192-V238 HydrophobicContact CD1-CB 4.05Å; I192-V238 HydrophobicContact CD1-CG1 3.7Å; I228-V238 HydrophobicContact CD1-CG1 4.32Å; A234-V238 HydrophobicContact CB-CG1 4.28Å; V236-V238 PolarHBondContact O-N 3.25Å; V238-K242 HydrophobicContact CG2-CB 4.39Å; V238-K242 HydrophobicContact CG2-CG 4.18Å
239P91.3Very high92.5Very high11 Ų1173.5 Ų73.57%0.07138%0.378CS..PPolyproline II helixtrans-59.3163.1177.4-25.434.6000113.9I102 T110 G241 K242I102-P239 HydrophobicContact CB-CG 3.99Å; I102-P239 HydrophobicContact CG2-CG 3.73Å; T110-P239 HydrophobicContact CG2-CB 3.93Å; T110-P239 HydrophobicContact CG2-CG 3.53Å; P239-G241 PolarHBondContact O-N 3.03Å; P239-K242 PolarHBondContact O-N 2.52Å
240R86.8Confident92.5Very high238 Ų23878 Ų7890%0.89840%0.399SS*.THydrogen-bonded Turntrans-52.4130.3175.6-171.5177.8-177.3-1741.1110.4
241G86.9Confident92.5Very high39 Ų3975 Ų7540%0.40239%0.386SS..THydrogen-bonded Turntrans95.9-3-175.100000114.4P239 G243 I244P239-G241 PolarHBondContact O-N 3.03Å; G241-G243 PolarHBondContact O-N 3.16Å; G241-I244 WeakPolarHBondContact O-CB 3.36Å; G241-I244 PolarHBondContact O-N 2.78Å
242K91.3Very high92.7Very high148 Ų14880.7 Ų80.764%0.64340%0.398SS*.THydrogen-bonded Turntrans51.928.4170.4-59.4-176.5179.1179.30114.3V238 P239 I244V238-K242 HydrophobicContact CG2-CB 4.39Å; V238-K242 HydrophobicContact CG2-CG 4.18Å; P239-K242 PolarHBondContact O-N 2.52Å; K242-I244 VanDerWaalsContact C-N 3.29Å; K242-I244 PolarHBondContact O-N 2.83Å
243G90.7Very high93.2Very high6 Ų678 Ų786%0.06238%0.384CS..THydrogen-bonded Turntrans74.311-178.100000115.5V105 R191 I192 G241V105-G243 VanDerWaalsContact CG1-CA 3.5Å; R191-G243 VanDerWaalsContact CA-O 3.27Å; R191-G243 WeakPolarHBondContact CA-O 3.44Å; I192-G243 PolarHBondContact N-O 3.15Å; I192-G243 VanDerWaalsContact N-O 3.12Å; G241-G243 PolarHBondContact O-N 3.16Å
244I94.4Very high93.2Very high39 Ų3976.1 Ų76.120%0.238%0.376CS..  trans-83.8116.7176.7-57.9163.7000108.9T213 T214 G241 K242T213-I244 WeakPolarHBondContact OG1-CD1 3.38Å; T214-I244 HydrophobicContact CG2-CD1 4.02Å; T214-I244 HydrophobicContact CG2-CG1 4.42Å; T214-I244 HydrophobicContact CG2-CG2 3.76Å; G241-I244 WeakPolarHBondContact O-CB 3.36Å; G241-I244 PolarHBondContact O-N 2.78Å; K242-I244 VanDerWaalsContact C-N 3.29Å; K242-I244 PolarHBondContact O-N 2.83Å
245R94Very high93.1Very high116 Ų11682.4 Ų82.444%0.43839%0.393SS..  trans-88.1111.3175-179.8170.6145.7175.4-9109.9V105 A187 R191V105-R245 HydrophobicContact CB-CB 4.19Å; A187-R245 PolarHBondContact O-NH1 3.21Å; A187-R245 VanDerWaalsContact O-NH1 3.16Å; R191-R245 HydrophobicContact CG-CB 3.98Å
246L94Very high93.1Very high57 Ų5784.5 Ų84.530%0.29841%0.407SS..  trans-69.7158.1173.1-61.5178.3000111.3E250 E251 K254L246-E250 WeakPolarHBondContact CA-OE2 3.39Å; L246-E250 HydrophobicContact CB-CB 4Å; L246-E250 WeakPolarHBondContact CB-OE2 3.45Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.31Å; L246-E251 HydrophobicContact CB-CG 3.91Å; L246-K254 HydrophobicContact CD1-CD 4Å
247T94.4Very high93.1Very high74 Ų7486.7 Ų86.745%0.45443%0.426SS..  trans-70.7164.517171.10000110.9A249 E250 E251T247-A249 VanDerWaalsContact C-N 3.26Å; T247-A249 PolarHBondContact O-N 2.97Å; T247-E250 PolarHBondContact N-OE2 3.5Å; T247-E250 PolarHBondContact O-N 3.37Å; T247-E250 VanDerWaalsContact OG1-CD 3.32Å; T247-E250 VanDerWaalsContact OG1-CG 3.27Å; T247-E250 WeakPolarHBondContact OG1-CG 3.5Å; T247-E250 PolarHBondContact OG1-N 2.89Å; T247-E250 PolarHBondContact OG1-OE2 3.28Å; T247-E251 PolarHBondContact O-N 2.81Å
248I95.1Very high93Very high154 Ų15488 Ų8879%0.7944%0.44SS*.Hα-helixtrans-62.6-37.5-179.4-59.8172.6000110.9R252I248-R252 WeakPolarHBondContact O-CB 3.43Å; I248-R252 PolarHBondContact O-N 3.23Å
249A95.7Very high93Very high50 Ų5093.4 Ų93.441%0.41346%0.46SS..Hα-helixtrans-65.2-50.1176.900000111.2T247 E251 R252 D253T247-A249 VanDerWaalsContact C-N 3.26Å; T247-A249 PolarHBondContact O-N 2.97Å; A249-E251 VanDerWaalsContact C-N 3.32Å; A249-E251 PolarHBondContact O-N 2.83Å; A249-R252 WeakPolarHBondContact O-CB 3.27Å; A249-R252 PolarHBondContact O-N 3.09Å; A249-D253 VanDerWaalsContact O-CG 3.24Å; A249-D253 PolarHBondContact O-N 3.49Å
250E94.2Very high92.9Very high94 Ų9499.6 Ų99.644%0.43949%0.488SS..Hα-helixtrans-59.5-40.5177.2-70.9165.8178.600112.4L246 T247 K254L246-E250 WeakPolarHBondContact CA-OE2 3.39Å; L246-E250 HydrophobicContact CB-CB 4Å; L246-E250 WeakPolarHBondContact CB-OE2 3.45Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.31Å; T247-E250 PolarHBondContact N-OE2 3.5Å; T247-E250 PolarHBondContact O-N 3.37Å; T247-E250 VanDerWaalsContact OG1-CD 3.32Å; T247-E250 VanDerWaalsContact OG1-CG 3.27Å; T247-E250 WeakPolarHBondContact OG1-CG 3.5Å; T247-E250 PolarHBondContact OG1-N 2.89Å; T247-E250 PolarHBondContact OG1-OE2 3.28Å; E250-K254 WeakPolarHBondContact O-CB 3.33Å; E250-K254 PolarHBondContact O-N 3.4Å
251E93.6Very high92.6Very high47 Ų4791.6 Ų91.622%0.2248%0.479CS..Hα-helixtrans-64.7-38.6174.8-78-158.2158.300112.8K106 L246 T247 A249 R255K106-E251 WeakPolarHBondContact CE-OE1 3.15Å; K106-E251 WeakPolarHBondContact CE-OE2 3.48Å; K106-E251 VanDerWaalsContact NZ-CD 3.29Å; K106-E251 IonicContact NZ-OE1 2.72Å; K106-E251 PolarHBondContact NZ-OE1 3.34Å; K106-E251 VanDerWaalsContact NZ-OE1 3.14Å; K106-E251 IonicContact NZ-OE2 3.56Å; K106-E251 PolarHBondContact NZ-OE2 2.94Å; L246-E251 HydrophobicContact CB-CG 3.91Å; T247-E251 PolarHBondContact O-N 2.81Å; A249-E251 VanDerWaalsContact C-N 3.32Å; A249-E251 PolarHBondContact O-N 2.83Å; E251-R255 WeakPolarHBondContact O-CB 3.21Å; E251-R255 VanDerWaalsContact O-CG 3.23Å; E251-R255 WeakPolarHBondContact O-CG 3.45Å; E251-R255 PolarHBondContact O-N 2.94Å
252R94.6Very high91.8Very high150 Ų15094.4 Ų94.457%0.56649%0.493SS*.Hα-helixtrans-63.1-50.7176.9179.9-165.268.6-174.1-1.4110.1I248 A249 K254 R255 L256I248-R252 WeakPolarHBondContact O-CB 3.43Å; I248-R252 PolarHBondContact O-N 3.23Å; A249-R252 WeakPolarHBondContact O-CB 3.27Å; A249-R252 PolarHBondContact O-N 3.09Å; R252-K254 VanDerWaalsContact C-N 3.34Å; R252-K254 PolarHBondContact O-N 3.46Å; R252-R255 WeakPolarHBondContact O-CB 3.06Å; R252-R255 PolarHBondContact O-N 2.97Å; R252-R255 VanDerWaalsContact O-N 3.09Å; R252-L256 HydrophobicContact CG-CD1 4.19Å; R252-L256 WeakPolarHBondContact O-CG 3.36Å; R252-L256 PolarHBondContact O-N 3.03Å
253D95.9Very high89.9Confident77 Ų7794.4 Ų94.441%0.41251%0.512SS..Hα-helixtrans-66.5-41-175-58.5-15.9000110.2A249 R255 L256 A257A249-D253 VanDerWaalsContact O-CG 3.24Å; A249-D253 PolarHBondContact O-N 3.49Å; D253-R255 VanDerWaalsContact C-N 3.29Å; D253-R255 PolarHBondContact O-N 2.9Å; D253-L256 PolarHBondContact O-N 3.29Å; D253-A257 WeakPolarHBondContact O-CB 3.38Å; D253-A257 PolarHBondContact O-N 3.37Å
254K93.2Very high89.8Confident128 Ų12898.9 Ų98.956%0.55753%0.534SS*.Hα-helixtrans-59.1-37.3172.1-175.5174.1-176.6171.70113.1L246 E250 R252 A258L246-K254 HydrophobicContact CD1-CD 4Å; E250-K254 WeakPolarHBondContact O-CB 3.33Å; E250-K254 PolarHBondContact O-N 3.4Å; R252-K254 VanDerWaalsContact C-N 3.34Å; R252-K254 PolarHBondContact O-N 3.46Å; K254-A258 WeakPolarHBondContact O-CB 3.4Å; K254-A258 PolarHBondContact O-N 3.19Å; K254-A258 VanDerWaalsContact O-N 3.1Å
255R93Very high89.6Confident163 Ų163102 Ų10262%0.61555%0.552SS**Hα-helixtrans-70.9-41.2176.9-79.2170.7169.3-170.7-6.3112.2E251 R252 D253 A258 K259E251-R255 WeakPolarHBondContact O-CB 3.21Å; E251-R255 VanDerWaalsContact O-CG 3.23Å; E251-R255 WeakPolarHBondContact O-CG 3.45Å; E251-R255 PolarHBondContact O-N 2.94Å; R252-R255 WeakPolarHBondContact O-CB 3.06Å; R252-R255 PolarHBondContact O-N 2.97Å; R252-R255 VanDerWaalsContact O-N 3.09Å; D253-R255 VanDerWaalsContact C-N 3.29Å; D253-R255 PolarHBondContact O-N 2.9Å; R255-A258 PolarHBondContact O-N 2.92Å; R255-K259 PolarHBondContact O-N 2.97Å; R255-K259 VanDerWaalsContact O-N 3.12Å
256L94.3Very high89.4Confident94 Ų94101.2 Ų101.249%0.49256%0.558SS.*Hα-helixtrans-64.2-47.4177.4-69.6173.2000110.8R252 D253 A258 K259 Q260R252-L256 HydrophobicContact CG-CD1 4.19Å; R252-L256 WeakPolarHBondContact O-CG 3.36Å; R252-L256 PolarHBondContact O-N 3.03Å; D253-L256 PolarHBondContact O-N 3.29Å; L256-A258 VanDerWaalsContact C-N 3.35Å; L256-A258 PolarHBondContact O-N 3.35Å; L256-K259 PolarHBondContact O-N 2.96Å; L256-K259 VanDerWaalsContact O-N 3.16Å; L256-Q260 WeakPolarHBondContact O-CG 3.41Å; L256-Q260 PolarHBondContact O-N 2.61Å
257A94.6Very high89.1Confident57 Ų57103.8 Ų103.847%0.47157%0.573SS.*Hα-helixtrans-59.6-43.2176.500000112.3D253 K259 Q260 G261D253-A257 WeakPolarHBondContact O-CB 3.38Å; D253-A257 PolarHBondContact O-N 3.37Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 2.85Å; A257-Q260 PolarHBondContact O-N 3.38Å; A257-G261 PolarHBondContact O-N 2.78Å
258A92.3Very high88.8Confident66 Ų66105.7 Ų105.755%0.54558%0.581SS.*Hα-helixtrans-63.8-34.5177.400000113K254 R255 L256 S262K254-A258 WeakPolarHBondContact O-CB 3.4Å; K254-A258 PolarHBondContact O-N 3.19Å; K254-A258 VanDerWaalsContact O-N 3.1Å; R255-A258 PolarHBondContact O-N 2.92Å; L256-A258 VanDerWaalsContact C-N 3.35Å; L256-A258 PolarHBondContact O-N 3.35Å; A258-S262 PolarHBondContact O-N 3.11Å; A258-S262 PolarHBondContact O-OG 3.4Å
259K92.4Very high88.3Confident154 Ų154102.5 Ų102.567%0.6757%0.567SS**Hα-helixtrans-71.9-40.6177.3-169.6179.4179.6-1730111.5R255 L256 A257 S262 S263R255-K259 PolarHBondContact O-N 2.97Å; R255-K259 VanDerWaalsContact O-N 3.12Å; L256-K259 PolarHBondContact O-N 2.96Å; L256-K259 VanDerWaalsContact O-N 3.16Å; A257-K259 VanDerWaalsContact C-N 3.3Å; A257-K259 PolarHBondContact O-N 2.85Å; K259-S262 PolarHBondContact O-N 3.43Å; K259-S262 PolarHBondContact O-OG 2.83Å; K259-S263 PolarHBondContact O-N 3.31Å; K259-S263 PolarHBondContact O-OG 3.25Å
260Q89.5Confident87.8Confident141 Ų141106.2 Ų106.266%0.65958%0.578SS**Hα-helixtrans-64.3-42.1176.5-72.5171.9-6.900111.7L256 A257 S262 S263L256-Q260 WeakPolarHBondContact O-CG 3.41Å; L256-Q260 PolarHBondContact O-N 2.61Å; A257-Q260 PolarHBondContact O-N 3.38Å; Q260-S262 VanDerWaalsContact C-N 3.27Å; Q260-S262 PolarHBondContact O-N 2.78Å; Q260-S263 PolarHBondContact O-N 3.32Å
261G79.8Confident87.3Confident70 Ų70107.2 Ų107.272%0.72259%0.588SS**THydrogen-bonded Turntrans-75.5-8178.200000115.6A257A257-G261 PolarHBondContact O-N 2.78Å
262S70.3Confident86.8Confident97 Ų97112.2 Ų112.268%0.67862%0.619SS**THydrogen-bonded Turntrans-98.1-2.4171.6610000113.5A258 K259 Q260A258-S262 PolarHBondContact O-N 3.11Å; A258-S262 PolarHBondContact O-OG 3.4Å; K259-S262 PolarHBondContact O-N 3.43Å; K259-S262 PolarHBondContact O-OG 2.83Å; Q260-S262 VanDerWaalsContact C-N 3.27Å; Q260-S262 PolarHBondContact O-N 2.78Å
263S51.7Low86.1Confident149 Ų149108.7 Ų108.7100%1.04262%0.624SS**  trans-94.90173.8-45.50000108.6K259 Q260K259-S263 PolarHBondContact O-N 3.31Å; K259-S263 PolarHBondContact O-OG 3.25Å; Q260-S263 PolarHBondContact O-N 3.32Å

Retrieved 263 of 263 residues in 78.9 ms (Link to these results)

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