A0A3Q0KQ79_SCHMA Loading...

Putative ribonuclease z, chloroplast AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KQ79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 268 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
1M82.8Confident94.6Very high132 Ų13263 Ų6365%0.6536%0.357SS*.  087.60-65.6178-174.200108.9F12 W14 F38 P40 P42M1-F12 HydrophobicContact CB-CD2 4.48Å; M1-F12 HydrophobicContact CB-CE2 3.64Å; M1-F12 HydrophobicContact CB-CZ 4.05Å; M1-F12 HydrophobicContact CG-CE2 3.98Å; M1-F12 HydrophobicContact CG-CZ 4.04Å; M1-F12 HydrophobicContact SD-CZ 4.41Å; M1-W14 HydrophobicContact CE-CE3 4.5Å; M1-W14 HydrophobicContact CE-CH2 4.42Å; M1-W14 HydrophobicContact CE-CZ3 4.04Å; M1-F38 HydrophobicContact CE-CE2 3.95Å; M1-F38 HydrophobicContact CE-CZ 3.79Å; M1-F38 HydrophobicContact SD-CZ 4.4Å; M1-P40 HydrophobicContact SD-CB 3.99Å; M1-P42 HydrophobicContact CB-CG 4.5Å
2S88.2Confident94.9Very high94 Ų9457.9 Ų57.966%0.65733%0.328SS*.  trans-124.5154.6-179500000109.9F12S2-F12 WeakPolarHBondContact O-CD2 3.42Å
3F94.5Very high95.1Very high38 Ų3853.5 Ų53.517%0.16730%0.303CS..  trans-68.4145.9170.5-68.5-94.9000110.3E10 I11 F12 A24 R26 V31 P42F3-E10 HydrophobicContact CB-CB 3.94Å; F3-E10 HydrophobicContact CD1-CB 4.13Å; F3-E10 VanDerWaalsContact CD1-O 3.31Å; F3-E10 WeakPolarHBondContact CD1-O 3.43Å; F3-E10 HydrophobicContact CG-CB 4.26Å; F3-I11 CarbonylContact C-O 3.58Å; F3-I11 WeakPolarHBondContact CA-O 3.27Å; F3-F12 HydrophobicContact CD1-CB 3.88Å; F3-F12 HydrophobicContact CE1-CB 4.04Å; F3-F12 HydrophobicContact CG-CB 4.24Å; F3-A24 HydrophobicContact CE1-CB 3.86Å; F3-A24 WeakPolarHBondContact CE1-O 3.43Å; F3-A24 HydrophobicContact CZ-CB 4.05Å; F3-R26 HydrophobicContact CD1-CB 4.43Å; F3-R26 HydrophobicContact CE1-CB 4.08Å; F3-V31 HydrophobicContact CZ-CG1 4.37Å; F3-P42 HydrophobicContact CE1-CB 4.42Å; F3-P42 HydrophobicContact CE2-CB 3.7Å; F3-P42 HydrophobicContact CE2-CG 4.37Å; F3-P42 HydrophobicContact CZ-CB 3.66Å
4Q95.4Very high95.3Very high70 Ų7050.7 Ų50.733%0.32729%0.285SS..EExtended strand (participates in β ladder)trans-107.6145.116857.8175.6-20.800110.2V6 E10 I11 Y226Q4-V6 HydrophobicContact CG-CG2 4.47Å; Q4-E10 CarbonylContact O-C 3.57Å; Q4-E10 WeakPolarHBondContact O-CA 3.47Å; Q4-I11 VanDerWaalsContact CG-O 3.23Å; Q4-I11 WeakPolarHBondContact CG-O 3.27Å; Q4-I11 PolarHBondContact N-O 3.42Å; Q4-I11 PolarHBondContact O-N 3.25Å; Q4-Y226 VanDerWaalsContact NE2-CE2 3.29Å; Q4-Y226 PolarHBondContact NE2-OH 2.95Å
5K97Very high95.5Very high175 Ų17547.3 Ų47.376%0.76127%0.266SS*.EExtended strand (participates in β ladder)trans-81.3129.2179.4-172.5176.1-178.7179.90110.5G7K5-G7 WeakPolarHBondContact CE-O 3.38Å
6V96.7Very high95.6Very high5 Ų544.4 Ų44.43%0.0325%0.25CC..EExtended strand (participates in β ladder)trans-134.6101.6176.7172.80000108Q4 G8 F9 I11 L183 Y224 I256Q4-V6 HydrophobicContact CG-CG2 4.47Å; V6-G8 PolarHBondContact O-N 3.09Å; V6-G8 VanDerWaalsContact O-N 3.13Å; V6-F9 PolarHBondContact N-O 3.29Å; V6-F9 WeakPolarHBondContact O-CA 3.43Å; V6-F9 WeakPolarHBondContact O-CB 3.33Å; V6-F9 WeakPolarHBondContact O-CD2 3.48Å; V6-F9 PolarHBondContact O-N 3.42Å; V6-I11 HydrophobicContact CB-CD1 3.69Å; V6-I11 HydrophobicContact CB-CG1 4.25Å; V6-I11 HydrophobicContact CG1-CD1 3.97Å; V6-I11 HydrophobicContact CG2-CD1 3.8Å; V6-I11 HydrophobicContact CG2-CG1 4.31Å; V6-L183 HydrophobicContact CG1-CD1 4.32Å; V6-Y224 HydrophobicContact CG1-CD1 3.9Å; V6-Y224 HydrophobicContact CG1-CD2 4.22Å; V6-Y224 HydrophobicContact CG1-CE1 4.48Å; V6-Y224 HydrophobicContact CG1-CG 3.73Å; V6-I256 HydrophobicContact CB-CD1 4.01Å; V6-I256 HydrophobicContact CG1-CD1 3.18Å; V6-I256 HydrophobicContact CG2-CD1 3.69Å; V6-I256 HydrophobicContact CG2-CG2 4.39Å
7G95.5Very high95.7Very high31 Ų3143.1 Ų43.132%0.3225%0.246SC..THydrogen-bonded Turntrans54.1-119.3-172.800000112.4K5 Y224K5-G7 WeakPolarHBondContact CE-O 3.38Å; G7-Y224 WeakPolarHBondContact CA-OH 3.37Å
8G96Very high95.7Very high58 Ų5844.3 Ų44.360%0.59827%0.269SS*.THydrogen-bonded Turntrans-88.66.4175.900000115.2V6V6-G8 PolarHBondContact O-N 3.09Å; V6-G8 VanDerWaalsContact O-N 3.13Å
9F98.2Very high95.7Very high5 Ų546.5 Ų46.52%0.02228%0.28CS..EExtended strand (participates in β ladder)trans-112.2153.2-177.2-52.6-84.2000111.6V6 I11 V25 K27 E156 I157 R182 L183V6-F9 PolarHBondContact N-O 3.29Å; V6-F9 WeakPolarHBondContact O-CA 3.43Å; V6-F9 WeakPolarHBondContact O-CB 3.33Å; V6-F9 WeakPolarHBondContact O-CD2 3.48Å; V6-F9 PolarHBondContact O-N 3.42Å; F9-I11 HydrophobicContact CB-CD1 4.4Å; F9-I11 HydrophobicContact CB-CG1 4.03Å; F9-V25 HydrophobicContact CB-CG1 4.2Å; F9-V25 HydrophobicContact CD1-CG1 3.82Å; F9-V25 HydrophobicContact CG-CG1 4.35Å; F9-K27 HydrophobicContact CD1-CB 4.23Å; F9-K27 HydrophobicContact CD1-CD 3.9Å; F9-K27 HydrophobicContact CE1-CD 3.63Å; F9-K27 HydrophobicContact CZ-CD 4.46Å; F9-E156 WeakPolarHBondContact CE1-OE2 3.36Å; F9-E156 WeakPolarHBondContact CZ-OE2 3.47Å; F9-I157 HydrophobicContact CD1-CD1 4.29Å; F9-I157 HydrophobicContact CD1-CG1 4.19Å; F9-I157 HydrophobicContact CE1-CD1 4Å; F9-I157 HydrophobicContact CE1-CG1 3.57Å; F9-I157 HydrophobicContact CZ-CG1 4.22Å; F9-R182 HydrophobicContact CE2-CB 3.9Å; F9-R182 HydrophobicContact CZ-CB 3.88Å; F9-L183 HydrophobicContact CD1-CD2 4.33Å; F9-L183 HydrophobicContact CD2-CB 4.06Å; F9-L183 HydrophobicContact CD2-CD2 4.23Å; F9-L183 HydrophobicContact CE2-CB 3.66Å; F9-L183 HydrophobicContact CG-CD2 4.11Å; F9-L183 HydrophobicContact CZ-CB 3.9Å
10E98.1Very high95.8Very high85 Ų8545.6 Ų45.640%0.39727%0.272SS..EExtended strand (participates in β ladder)trans-111.2117.7162.6-70-176.310500107.5F3 Q4 R26F3-E10 HydrophobicContact CB-CB 3.94Å; F3-E10 HydrophobicContact CD1-CB 4.13Å; F3-E10 VanDerWaalsContact CD1-O 3.31Å; F3-E10 WeakPolarHBondContact CD1-O 3.43Å; F3-E10 HydrophobicContact CG-CB 4.26Å; Q4-E10 CarbonylContact O-C 3.57Å; Q4-E10 WeakPolarHBondContact O-CA 3.47Å; E10-R26 HydrophobicContact CB-CB 4.09Å; E10-R26 PolarHBondContact N-O 3.22Å; E10-R26 PolarHBondContact O-N 3.03Å; E10-R26 WeakPolarHBondContact OE2-CD 3.23Å; E10-R26 IonicContact OE2-NH1 3.18Å
11I98.2Very high95.9Very high0 Ų043.4 Ų43.40%026%0.259CS..EExtended strand (participates in β ladder)trans-117.3134.4-173.2-52.6177000109.9F3 Q4 V6 F9 V23 A24 V25 L183 Y226F3-I11 CarbonylContact C-O 3.58Å; F3-I11 WeakPolarHBondContact CA-O 3.27Å; Q4-I11 VanDerWaalsContact CG-O 3.23Å; Q4-I11 WeakPolarHBondContact CG-O 3.27Å; Q4-I11 PolarHBondContact N-O 3.42Å; Q4-I11 PolarHBondContact O-N 3.25Å; V6-I11 HydrophobicContact CB-CD1 3.69Å; V6-I11 HydrophobicContact CB-CG1 4.25Å; V6-I11 HydrophobicContact CG1-CD1 3.97Å; V6-I11 HydrophobicContact CG2-CD1 3.8Å; V6-I11 HydrophobicContact CG2-CG1 4.31Å; F9-I11 HydrophobicContact CB-CD1 4.4Å; F9-I11 HydrophobicContact CB-CG1 4.03Å; I11-V23 HydrophobicContact CG2-CG1 3.77Å; I11-A24 CarbonylContact C-O 3.52Å; I11-A24 WeakPolarHBondContact CA-O 3.41Å; I11-V25 HydrophobicContact CG1-CG1 4.38Å; I11-V25 HydrophobicContact CG1-CG2 4.39Å; I11-V25 HydrophobicContact CG2-CG2 4.38Å; I11-L183 HydrophobicContact CD1-CD1 3.62Å; I11-L183 HydrophobicContact CD1-CD2 3.45Å; I11-L183 VanDerWaalsContact CD1-CD2 3.45Å; I11-L183 HydrophobicContact CD1-CG 4.18Å; I11-L183 HydrophobicContact CG1-CD2 4.15Å; I11-Y226 HydrophobicContact CB-CE2 4.42Å; I11-Y226 HydrophobicContact CD1-CD2 3.93Å; I11-Y226 HydrophobicContact CD1-CE2 4.35Å; I11-Y226 HydrophobicContact CD1-CG 4.33Å; I11-Y226 HydrophobicContact CG2-CD1 4.35Å; I11-Y226 HydrophobicContact CG2-CD2 4.32Å; I11-Y226 HydrophobicContact CG2-CE1 3.97Å; I11-Y226 HydrophobicContact CG2-CE2 3.94Å
12F97.8Very high96.7Very high2 Ų237.2 Ų37.21%0.00923%0.229CC..EExtended strand (participates in β ladder)trans-117.1115.5162.6170.8-91.5000107.7M1 S2 F3 W14 V23 A24 P40 P42 T260M1-F12 HydrophobicContact CB-CD2 4.48Å; M1-F12 HydrophobicContact CB-CE2 3.64Å; M1-F12 HydrophobicContact CB-CZ 4.05Å; M1-F12 HydrophobicContact CG-CE2 3.98Å; M1-F12 HydrophobicContact CG-CZ 4.04Å; M1-F12 HydrophobicContact SD-CZ 4.41Å; S2-F12 WeakPolarHBondContact O-CD2 3.42Å; F3-F12 HydrophobicContact CD1-CB 3.88Å; F3-F12 HydrophobicContact CE1-CB 4.04Å; F3-F12 HydrophobicContact CG-CB 4.24Å; F12-W14 HydrophobicContact CE1-CB 3.94Å; F12-W14 HydrophobicContact CZ-CB 4.06Å; F12-W14 HydrophobicContact CZ-CE3 4.19Å; F12-V23 CarbonylContact O-C 3.59Å; F12-V23 WeakPolarHBondContact O-CA 3.47Å; F12-A24 HydrophobicContact CB-CB 4.39Å; F12-A24 PolarHBondContact N-O 3Å; F12-A24 PolarHBondContact O-N 2.94Å; F12-P40 HydrophobicContact CD1-CG 4.37Å; F12-P40 HydrophobicContact CE1-CB 3.94Å; F12-P40 HydrophobicContact CE1-CG 3.49Å; F12-P40 VanDerWaalsContact CE1-CG 3.49Å; F12-P40 HydrophobicContact CZ-CB 4.22Å; F12-P40 HydrophobicContact CZ-CG 4.2Å; F12-P42 HydrophobicContact CB-CB 3.83Å; F12-P42 HydrophobicContact CB-CG 4.14Å; F12-P42 HydrophobicContact CD1-CB 3.68Å; F12-P42 HydrophobicContact CD1-CG 3.76Å; F12-P42 HydrophobicContact CD2-CB 4.43Å; F12-P42 HydrophobicContact CD2-CG 3.85Å; F12-P42 HydrophobicContact CE1-CB 4.4Å; F12-P42 HydrophobicContact CE1-CG 4.13Å; F12-P42 HydrophobicContact CE2-CG 4.2Å; F12-P42 HydrophobicContact CG-CB 3.7Å; F12-P42 HydrophobicContact CG-CG 3.61Å; F12-P42 HydrophobicContact CZ-CG 4.32Å; F12-T260 HydrophobicContact CE2-CG2 4.39Å
13G97.6Very high97.2Very high0 Ų032.7 Ų32.70%020%0.197CC..EExtended strand (participates in β ladder)trans-111.7134.4174.200000111.3
14W97.9Very high97.4Very high15 Ų1530.9 Ų30.96%0.05719%0.189CC..EExtended strand (participates in β ladder)trans-134.9105167.1-173.2-71.5000108M1 F12 E20 T21 C22 F38 T260 A261 C264 L265M1-W14 HydrophobicContact CE-CE3 4.5Å; M1-W14 HydrophobicContact CE-CH2 4.42Å; M1-W14 HydrophobicContact CE-CZ3 4.04Å; F12-W14 HydrophobicContact CE1-CB 3.94Å; F12-W14 HydrophobicContact CZ-CB 4.06Å; F12-W14 HydrophobicContact CZ-CE3 4.19Å; W14-E20 PolarHBondContact NE1-OE1 3.07Å; W14-T21 CarbonylContact O-C 3.54Å; W14-T21 WeakPolarHBondContact O-CA 3.34Å; W14-C22 PolarHBondContact N-O 3.42Å; W14-C22 PolarHBondContact O-N 3.44Å; W14-C22 VanDerWaalsContact O-O 3.11Å; W14-F38 HydrophobicContact CB-CE1 4.13Å; W14-F38 AromaticContact CD1-CE1 3.51Å; W14-F38 AromaticContact CD2-CE1 3.76Å; W14-F38 HydrophobicContact CD2-CE1 3.76Å; W14-F38 AromaticContact CD2-CZ 3.98Å; W14-F38 HydrophobicContact CD2-CZ 3.98Å; W14-F38 AromaticContact CE2-CE1 3.86Å; W14-F38 HydrophobicContact CE3-CZ 4.35Å; W14-F38 AromaticContact CG-CE1 3.55Å; W14-F38 HydrophobicContact CG-CE1 3.55Å; W14-F38 HydrophobicContact CG-CZ 4.23Å; W14-F38 AromaticContact NE1-CE1 3.7Å; W14-T260 HydrophobicContact CE3-CG2 4.45Å; W14-A261 HydrophobicContact CD2-CB 3.59Å; W14-A261 HydrophobicContact CE3-CB 4.1Å; W14-A261 HydrophobicContact CG-CB 3.79Å; W14-A261 HydrophobicContact CZ2-CB 4.17Å; W14-C264 HydrophobicContact CH2-CB 3.9Å; W14-C264 HydrophobicContact CZ3-CB 4.07Å; W14-L265 HydrophobicContact CZ2-CG 4.45Å
15S98.2Very high97.5Very high0 Ų027.6 Ų27.60%017%0.174CC..EExtended strand (participates in β ladder)trans-150120.6-173.1-177.40000111.1E20 T21 H229S15-E20 CarbonylContact C-O 3.57Å; S15-E20 VanDerWaalsContact CA-O 3.23Å; S15-E20 WeakPolarHBondContact CA-O 3.49Å; S15-T21 WeakPolarHBondContact OG-CG2 3.44Å; S15-T21 PolarHBondContact OG-OG1 3.3Å; S15-H229 WeakPolarHBondContact OG-CA 3.5Å; S15-H229 PolarHBondContact OG-N 3.4Å
16V97.9Very high97.6Very high0 Ų022.6 Ų22.60%015%0.15CC..EExtended strand (participates in β ladder)trans-137.6122172.9-179.50000106.8G18 N19 E20 D232 A261 K262 L265V16-G18 PolarHBondContact O-N 2.94Å; V16-N19 HydrophobicContact CB-CB 4.26Å; V16-N19 HydrophobicContact CG1-CB 4.31Å; V16-N19 PolarHBondContact O-N 3.25Å; V16-E20 PolarHBondContact N-O 3.34Å; V16-E20 PolarHBondContact O-N 3.41Å; V16-D232 HydrophobicContact CG1-CB 3.76Å; V16-A261 HydrophobicContact CG2-CB 3.68Å; V16-K262 HydrophobicContact CG1-CD 4.27Å; V16-K262 HydrophobicContact CG2-CD 3.79Å; V16-K262 HydrophobicContact CG2-CG 4.25Å; V16-L265 HydrophobicContact CG2-CD1 4.07Å
17A97.3Very high97.5Very high22 Ų2223.5 Ų23.518%0.18215%0.154CC..THydrogen-bonded Turntrans-56.6130-17100000112.6N19 T189 H229 F230A17-N19 PolarHBondContact O-N 3.34Å; A17-T189 HydrophobicContact CB-CG2 4.04Å; A17-H229 WeakPolarHBondContact CA-NE2 3.47Å; A17-H229 WeakPolarHBondContact CB-CE1 3.29Å; A17-F230 PolarHBondContact N-O 3.28Å
18G95Very high97.3Very high65 Ų6528 Ų2867%0.6717%0.17SC*.THydrogen-bonded Turntrans73.22.217900000115.3V16 D57V16-G18 PolarHBondContact O-N 2.94Å; G18-D57 WeakPolarHBondContact CA-OD2 3.27Å; G18-D57 PolarHBondContact N-OD2 2.96Å; G18-D57 VanDerWaalsContact N-OD2 3.16Å
19N96.6Very high97Very high87 Ų8736.8 Ų36.847%0.46519%0.186SC..THydrogen-bonded Turntrans-111.5-60.6176.7-17211.3000110.8V16 A17 D57V16-N19 HydrophobicContact CB-CB 4.26Å; V16-N19 HydrophobicContact CG1-CB 4.31Å; V16-N19 PolarHBondContact O-N 3.25Å; A17-N19 PolarHBondContact O-N 3.34Å; N19-D57 VanDerWaalsContact C-CB 3.44Å; N19-D57 WeakPolarHBondContact O-CB 3.18Å
20E96.9Very high96.8Very high28 Ų2838.5 Ų38.513%0.13119%0.193CC..EExtended strand (participates in β ladder)trans-167.3136.5-179.646.9-171.5177.100111.5W14 S15 V16 F38 D57W14-E20 PolarHBondContact NE1-OE1 3.07Å; S15-E20 CarbonylContact C-O 3.57Å; S15-E20 VanDerWaalsContact CA-O 3.23Å; S15-E20 WeakPolarHBondContact CA-O 3.49Å; V16-E20 PolarHBondContact N-O 3.34Å; V16-E20 PolarHBondContact O-N 3.41Å; E20-F38 WeakPolarHBondContact OE2-CB 3.48Å; E20-F38 WeakPolarHBondContact OE2-CD1 3.38Å; E20-F38 WeakPolarHBondContact OE2-CG 3.23Å; E20-D57 CarbonylContact C-O 3.52Å; E20-D57 WeakPolarHBondContact CA-O 3.49Å
21T98.6Very high96.8Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-134122.8175.2-69.80000111.4W14 S15 D35 G37 D57 I228 H229W14-T21 CarbonylContact O-C 3.54Å; W14-T21 WeakPolarHBondContact O-CA 3.34Å; S15-T21 WeakPolarHBondContact OG-CG2 3.44Å; S15-T21 PolarHBondContact OG-OG1 3.3Å; T21-D35 WeakPolarHBondContact O-CB 3.4Å; T21-G37 WeakPolarHBondContact O-CA 3.27Å; T21-G37 PolarHBondContact O-N 2.97Å; T21-D57 PolarHBondContact N-O 2.83Å; T21-I228 HydrophobicContact CG2-CD1 4.03Å; T21-H229 PolarHBondContact OG1-CD2 2.81Å
22C98.5Very high96.8Very high1 Ų135 Ų351%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-152.3143.4167.561.90000111W14 F34 I36 P40 L43W14-C22 PolarHBondContact N-O 3.42Å; W14-C22 PolarHBondContact O-N 3.44Å; W14-C22 VanDerWaalsContact O-O 3.11Å; C22-F34 WeakPolarHBondContact CA-O 3.34Å; C22-I36 WeakPolarHBondContact CB-O 3.12Å; C22-P40 WeakPolarHBondContact SG-CD 3.47Å; C22-P40 WeakPolarHBondContact SG-CG 3.36Å; C22-L43 HydrophobicContact CB-CD1 4.49Å; C22-L43 HydrophobicContact CB-CD2 4.05Å
23V98.7Very high96.8Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-132.2126.3175.2-172.20000109.2I11 F12 V25 G33 F34 I185 I228I11-V23 HydrophobicContact CG2-CG1 3.77Å; F12-V23 CarbonylContact O-C 3.59Å; F12-V23 WeakPolarHBondContact O-CA 3.47Å; V23-V25 HydrophobicContact CG1-CG2 4.09Å; V23-G33 CarbonylContact O-C 3.56Å; V23-G33 WeakPolarHBondContact O-CA 3.47Å; V23-F34 HydrophobicContact CB-CB 4.35Å; V23-F34 PolarHBondContact N-O 3.03Å; V23-F34 PolarHBondContact O-N 3.21Å; V23-I185 HydrophobicContact CG1-CD1 4.12Å; V23-I185 HydrophobicContact CG2-CG2 4.28Å; V23-I228 HydrophobicContact CG2-CD1 4.28Å; V23-I228 HydrophobicContact CG2-CG2 4.14Å
24A98.5Very high96.9Very high0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-104.9125.1169.800000109.1F3 I11 F12 V31 F32 P42 L43F3-A24 HydrophobicContact CE1-CB 3.86Å; F3-A24 WeakPolarHBondContact CE1-O 3.43Å; F3-A24 HydrophobicContact CZ-CB 4.05Å; I11-A24 CarbonylContact C-O 3.52Å; I11-A24 WeakPolarHBondContact CA-O 3.41Å; F12-A24 HydrophobicContact CB-CB 4.39Å; F12-A24 PolarHBondContact N-O 3Å; F12-A24 PolarHBondContact O-N 2.94Å; A24-V31 HydrophobicContact CB-CG1 4.41Å; A24-F32 CarbonylContact C-O 3.43Å; A24-F32 WeakPolarHBondContact CA-O 3.16Å; A24-P42 HydrophobicContact CB-CB 4.15Å; A24-L43 HydrophobicContact CB-CD1 4.03Å
25V98.6Very high96.9Very high0 Ų034.2 Ų34.20%018%0.175CC..EExtended strand (participates in β ladder)trans-116.3127.8175.4-175.80000109F9 I11 V23 V31 F32 F34 I157 L183 I185F9-V25 HydrophobicContact CB-CG1 4.2Å; F9-V25 HydrophobicContact CD1-CG1 3.82Å; F9-V25 HydrophobicContact CG-CG1 4.35Å; I11-V25 HydrophobicContact CG1-CG1 4.38Å; I11-V25 HydrophobicContact CG1-CG2 4.39Å; I11-V25 HydrophobicContact CG2-CG2 4.38Å; V23-V25 HydrophobicContact CG1-CG2 4.09Å; V25-V31 WeakPolarHBondContact O-CA 3.34Å; V25-F32 PolarHBondContact N-O 2.81Å; V25-F32 PolarHBondContact O-N 2.96Å; V25-F34 HydrophobicContact CB-CE2 4.1Å; V25-F34 HydrophobicContact CG2-CD2 4.06Å; V25-F34 HydrophobicContact CG2-CE2 3.74Å; V25-I157 HydrophobicContact CB-CD1 4.11Å; V25-I157 HydrophobicContact CG1-CD1 3.57Å; V25-I157 HydrophobicContact CG1-CG1 4.28Å; V25-L183 HydrophobicContact CG1-CD2 4.06Å; V25-L183 HydrophobicContact CG2-CD2 4.15Å; V25-I185 HydrophobicContact CG2-CD1 3.81Å
26R98Very high96.9Very high71 Ų7134.2 Ų34.227%0.26818%0.175SC..EExtended strand (participates in β ladder)trans-113.5133.1176.9176.7-170.7-63.8168.81.1110.6F3 E10 Q30 V31F3-R26 HydrophobicContact CD1-CB 4.43Å; F3-R26 HydrophobicContact CE1-CB 4.08Å; E10-R26 HydrophobicContact CB-CB 4.09Å; E10-R26 PolarHBondContact N-O 3.22Å; E10-R26 PolarHBondContact O-N 3.03Å; E10-R26 WeakPolarHBondContact OE2-CD 3.23Å; E10-R26 IonicContact OE2-NH1 3.18Å; R26-Q30 WeakPolarHBondContact CA-O 3.32Å; R26-Q30 WeakPolarHBondContact CG-O 3.29Å; R26-V31 HydrophobicContact CB-CG2 4.1Å; R26-V31 HydrophobicContact CG-CG2 4Å
27K96.4Very high96.9Very high23 Ų2334.5 Ų34.510%0.118%0.178CC..EExtended strand (participates in β ladder)trans-151.3137.2173.3-175.5167.3-176.5175.80109.8F9 R29 Q30 W126 E156F9-K27 HydrophobicContact CD1-CB 4.23Å; F9-K27 HydrophobicContact CD1-CD 3.9Å; F9-K27 HydrophobicContact CE1-CD 3.63Å; F9-K27 HydrophobicContact CZ-CD 4.46Å; K27-R29 VanDerWaalsContact C-N 3.27Å; K27-R29 PolarHBondContact O-N 2.79Å; K27-R29 VanDerWaalsContact O-N 3.17Å; K27-Q30 PolarHBondContact N-O 2.86Å; K27-Q30 WeakPolarHBondContact O-CB 3.32Å; K27-Q30 PolarHBondContact O-N 2.83Å; K27-W126 HydrophobicContact CB-CZ2 4.35Å; K27-W126 HydrophobicContact CD-CH2 3.97Å; K27-W126 HydrophobicContact CD-CZ2 4Å; K27-W126 HydrophobicContact CG-CZ2 4.2Å; K27-E156 IonicContact NZ-OE1 2.68Å; K27-E156 PolarHBondContact NZ-OE1 2.82Å; K27-E156 IonicContact NZ-OE2 2.61Å; K27-E156 PolarHBondContact NZ-OE2 2.8Å
28N90.6Very high96.9Very high125 Ų12536.1 Ų36.167%0.66818%0.181SC*.THydrogen-bonded Turntrans4845.6177.1-61.5-12.6000113.7Q30N28-Q30 PolarHBondContact O-N 2.96Å; N28-Q30 VanDerWaalsContact O-N 3.08Å
29R88.9Confident96.9Very high244 Ų24433.1 Ų33.192%0.92115%0.15SC*.THydrogen-bonded Turntrans67.5-8.1-176.4-49.2171.261.594.30.5115.9K27K27-R29 VanDerWaalsContact C-N 3.27Å; K27-R29 PolarHBondContact O-N 2.79Å; K27-R29 VanDerWaalsContact O-N 3.17Å
30Q95Very high96.9Very high40 Ų4029.1 Ų29.119%0.18713%0.129CC..EExtended strand (participates in β ladder)trans-80.9144.7170.7-56.3-158.320.300110.1R26 K27 N28 F32 S123R26-Q30 WeakPolarHBondContact CA-O 3.32Å; R26-Q30 WeakPolarHBondContact CG-O 3.29Å; K27-Q30 PolarHBondContact N-O 2.86Å; K27-Q30 WeakPolarHBondContact O-CB 3.32Å; K27-Q30 PolarHBondContact O-N 2.83Å; N28-Q30 PolarHBondContact O-N 2.96Å; N28-Q30 VanDerWaalsContact O-N 3.08Å; Q30-F32 HydrophobicContact CB-CE1 4.42Å; Q30-F32 HydrophobicContact CB-CE2 3.94Å; Q30-F32 HydrophobicContact CB-CZ 3.78Å; Q30-F32 HydrophobicContact CG-CZ 4.47Å; Q30-S123 PolarHBondContact NE2-OG 2.86Å; Q30-S123 VanDerWaalsContact NE2-OG 3.15Å
31V97.3Very high96.8Very high12 Ų1235.6 Ų35.67%0.07315%0.152CC..EExtended strand (participates in β ladder)trans-123.6122.3172.4-173.20000107.8F3 A24 V25 R26 A46 D47F3-V31 HydrophobicContact CZ-CG1 4.37Å; A24-V31 HydrophobicContact CB-CG1 4.41Å; V25-V31 WeakPolarHBondContact O-CA 3.34Å; R26-V31 HydrophobicContact CB-CG2 4.1Å; R26-V31 HydrophobicContact CG-CG2 4Å; V31-A46 HydrophobicContact CB-CB 4.44Å; V31-A46 HydrophobicContact CG1-CB 3.96Å; V31-A46 VanDerWaalsContact O-CA 3.27Å; V31-A46 WeakPolarHBondContact O-CA 3.49Å; V31-D47 PolarHBondContact O-N 3.13Å
32F98.4Very high96.7Very high0 Ų035.9 Ų35.90%015%0.154CC..EExtended strand (participates in β ladder)trans-106.9135.4176.8-54.2-73.3000108.8A24 V25 Q30 F34 H48 F50 L122 W126 L144 I157A24-F32 CarbonylContact C-O 3.43Å; A24-F32 WeakPolarHBondContact CA-O 3.16Å; V25-F32 PolarHBondContact N-O 2.81Å; V25-F32 PolarHBondContact O-N 2.96Å; Q30-F32 HydrophobicContact CB-CE1 4.42Å; Q30-F32 HydrophobicContact CB-CE2 3.94Å; Q30-F32 HydrophobicContact CB-CZ 3.78Å; Q30-F32 HydrophobicContact CG-CZ 4.47Å; F32-F34 HydrophobicContact CB-CE2 3.94Å; F32-F34 HydrophobicContact CB-CZ 4.13Å; F32-H48 HydrophobicContact CD1-CB 4.29Å; F32-F50 HydrophobicContact CB-CE2 4.14Å; F32-F50 HydrophobicContact CD1-CE2 4.01Å; F32-F50 HydrophobicContact CD1-CZ 4.46Å; F32-F50 HydrophobicContact CG-CE2 4.48Å; F32-L122 HydrophobicContact CD1-CD1 4.4Å; F32-L122 HydrophobicContact CE1-CD1 3.89Å; F32-W126 HydrophobicContact CE2-CD2 4.25Å; F32-W126 HydrophobicContact CE2-CE3 4.17Å; F32-W126 HydrophobicContact CE2-CH2 4.06Å; F32-W126 HydrophobicContact CE2-CZ2 4.15Å; F32-W126 HydrophobicContact CE2-CZ3 4.07Å; F32-W126 AromaticContact CZ-CD2 3.66Å; F32-W126 HydrophobicContact CZ-CD2 3.66Å; F32-W126 AromaticContact CZ-CE2 3.96Å; F32-W126 AromaticContact CZ-CE3 3.78Å; F32-W126 HydrophobicContact CZ-CE3 3.78Å; F32-W126 HydrophobicContact CZ-CG 4.06Å; F32-W126 HydrophobicContact CZ-CH2 4.43Å; F32-W126 HydrophobicContact CZ-CZ2 4.34Å; F32-W126 HydrophobicContact CZ-CZ3 4.17Å; F32-L144 HydrophobicContact CB-CD2 4.13Å; F32-L144 HydrophobicContact CD1-CD2 3.49Å; F32-L144 VanDerWaalsContact CD1-CD2 3.49Å; F32-L144 HydrophobicContact CD2-CD2 3.93Å; F32-L144 HydrophobicContact CE1-CD2 3.79Å; F32-L144 HydrophobicContact CE2-CD2 4.19Å; F32-L144 HydrophobicContact CG-CD2 3.57Å; F32-L144 HydrophobicContact CZ-CD2 4.12Å; F32-I157 HydrophobicContact CD2-CD1 3.96Å; F32-I157 HydrophobicContact CE2-CD1 4.39Å
33G98.6Very high96.6Very high0 Ų035.9 Ų35.90%015%0.154CC..EExtended strand (participates in β ladder)trans-110.2133.7175.700000111V23 L43 H48 I49 F50V23-G33 CarbonylContact O-C 3.56Å; V23-G33 WeakPolarHBondContact O-CA 3.47Å; G33-L43 VanDerWaalsContact CA-CD1 3.48Å; G33-H48 PolarHBondContact N-O 2.78Å; G33-I49 CarbonylContact O-C 3.6Å; G33-I49 WeakPolarHBondContact O-CA 3.48Å; G33-F50 WeakPolarHBondContact O-CD2 3.41Å; G33-F50 PolarHBondContact O-N 2.61Å
34F98.9Very high96.5Very high0 Ų036.3 Ų36.30%016%0.157CC..EExtended strand (participates in β ladder)trans-119.9117.1178.1-59.5-81.7000108.9C22 V23 V25 F32 F50 L144 I157 Y159 I185C22-F34 WeakPolarHBondContact CA-O 3.34Å; V23-F34 HydrophobicContact CB-CB 4.35Å; V23-F34 PolarHBondContact N-O 3.03Å; V23-F34 PolarHBondContact O-N 3.21Å; V25-F34 HydrophobicContact CB-CE2 4.1Å; V25-F34 HydrophobicContact CG2-CD2 4.06Å; V25-F34 HydrophobicContact CG2-CE2 3.74Å; F32-F34 HydrophobicContact CB-CE2 3.94Å; F32-F34 HydrophobicContact CB-CZ 4.13Å; F34-F50 HydrophobicContact CD1-CB 3.9Å; F34-F50 AromaticContact CD1-CD2 3.85Å; F34-F50 HydrophobicContact CD1-CD2 3.85Å; F34-F50 HydrophobicContact CD1-CG 4.24Å; F34-F50 HydrophobicContact CE1-CB 4.28Å; F34-F50 AromaticContact CE1-CD2 3.56Å; F34-F50 HydrophobicContact CE1-CD2 3.56Å; F34-F50 HydrophobicContact CE1-CE2 4.26Å; F34-F50 HydrophobicContact CE1-CG 4.14Å; F34-F50 HydrophobicContact CZ-CD2 4.15Å; F34-L144 HydrophobicContact CE1-CD1 3.67Å; F34-L144 HydrophobicContact CZ-CD1 3.81Å; F34-L144 HydrophobicContact CZ-CD2 4.06Å; F34-I157 HydrophobicContact CE1-CG2 4.45Å; F34-I157 HydrophobicContact CE2-CG2 3.8Å; F34-I157 HydrophobicContact CZ-CB 4.31Å; F34-I157 HydrophobicContact CZ-CG2 3.56Å; F34-Y159 HydrophobicContact CB-CD1 3.79Å; F34-Y159 HydrophobicContact CB-CD2 3.56Å; F34-Y159 HydrophobicContact CB-CE1 3.86Å; F34-Y159 HydrophobicContact CB-CE2 3.67Å; F34-Y159 HydrophobicContact CB-CG 3.63Å; F34-Y159 AromaticContact CD1-CD1 3.79Å; F34-Y159 HydrophobicContact CD1-CD1 3.79Å; F34-Y159 HydrophobicContact CD1-CD2 4.14Å; F34-Y159 AromaticContact CD1-CG 3.48Å; F34-Y159 HydrophobicContact CD1-CG 3.48Å; F34-Y159 VanDerWaalsContact CD1-CG 3.48Å; F34-Y159 HydrophobicContact CE1-CG 4.34Å; F34-Y159 HydrophobicContact CG-CD1 4.17Å; F34-Y159 AromaticContact CG-CD2 3.91Å; F34-Y159 HydrophobicContact CG-CD2 3.91Å; F34-Y159 AromaticContact CG-CG 3.73Å; F34-Y159 HydrophobicContact CG-CG 3.73Å; F34-I185 HydrophobicContact CD2-CD1 4.2Å; F34-I185 HydrophobicContact CE2-CD1 4.32Å
35D98.8Very high96.4Very high0 Ų040 Ų400%017%0.172CC..  trans48.8176.4-159.8-68.8-39.7000112.8T21 F50 I51 S52 H58 Y159T21-D35 WeakPolarHBondContact O-CB 3.4Å; D35-F50 PolarHBondContact N-O 2.68Å; D35-I51 WeakPolarHBondContact OD1-CA 3.37Å; D35-S52 VanDerWaalsContact CG-OG 3.32Å; D35-S52 PolarHBondContact OD1-N 2.69Å; D35-S52 PolarHBondContact OD1-OG 3.4Å; D35-S52 PolarHBondContact OD2-OG 3.02Å; D35-H58 HydrophobicContact CB-CB 4.07Å; D35-H58 IonicContact OD2-CE1 2.79Å; D35-H58 IonicContact OD2-CG 3.58Å; D35-H58 IonicContact OD2-ND1 3.29Å; D35-H58 PolarHBondContact OD2-ND1 2.66Å; D35-Y159 WeakPolarHBondContact OD2-CE1 3.47Å; D35-Y159 PolarHBondContact OD2-OH 2.9Å
36I98.2Very high96.4Very high0 Ų040 Ų400%017%0.172CC..  trans-120.6-31.2-171.4-74.7-177.8000113.6C22 F38 S39 L43 I49 I51 H58 A61 I62 H65 Y79C22-I36 WeakPolarHBondContact CB-O 3.12Å; I36-F38 PolarHBondContact O-N 2.57Å; I36-F38 VanDerWaalsContact O-N 3.08Å; I36-S39 WeakPolarHBondContact O-CA 3.5Å; I36-S39 PolarHBondContact O-N 3.19Å; I36-L43 HydrophobicContact CB-CD2 4.22Å; I36-L43 HydrophobicContact CG1-CD2 4.04Å; I36-L43 HydrophobicContact CG2-CD2 4.37Å; I36-I49 HydrophobicContact CD1-CG2 3.81Å; I36-I49 HydrophobicContact CG1-CG2 3.66Å; I36-I51 HydrophobicContact CB-CD1 4.37Å; I36-I51 HydrophobicContact CD1-CD1 3.91Å; I36-I51 HydrophobicContact CG1-CD1 3.77Å; I36-H58 WeakPolarHBondContact CA-O 3.4Å; I36-H58 PolarHBondContact N-O 3.4Å; I36-A61 HydrophobicContact CG2-CB 3.71Å; I36-I62 HydrophobicContact CD1-CB 3.86Å; I36-I62 HydrophobicContact CD1-CD1 4.3Å; I36-I62 HydrophobicContact CD1-CG1 3.8Å; I36-H65 HydrophobicContact CD1-CB 4.16Å; I36-H65 HydrophobicContact CG2-CB 4.43Å; I36-Y79 HydrophobicContact CD1-CD1 4.15Å; I36-Y79 HydrophobicContact CD1-CE1 3.98Å
37G97.7Very high96.3Very high7 Ų738.3 Ų38.37%0.07217%0.169CC..THydrogen-bonded Turntrans49.6-118.5-177.800000111T21 D57 H58 A61T21-G37 WeakPolarHBondContact O-CA 3.27Å; T21-G37 PolarHBondContact O-N 2.97Å; G37-D57 VanDerWaalsContact CA-O 3.3Å; G37-D57 WeakPolarHBondContact CA-O 3.46Å; G37-H58 PolarHBondContact N-O 2.81Å; G37-A61 WeakPolarHBondContact O-CB 3.21Å; G37-A61 PolarHBondContact O-N 2.82Å
38F95.9Very high96.4Very high56 Ų5637.9 Ų37.925%0.24617%0.167CC..THydrogen-bonded Turntrans-97.46.2174.874.7-68.7000115.4M1 W14 E20 I36 P40 A61 K68M1-F38 HydrophobicContact CE-CE2 3.95Å; M1-F38 HydrophobicContact CE-CZ 3.79Å; M1-F38 HydrophobicContact SD-CZ 4.4Å; W14-F38 HydrophobicContact CB-CE1 4.13Å; W14-F38 AromaticContact CD1-CE1 3.51Å; W14-F38 AromaticContact CD2-CE1 3.76Å; W14-F38 HydrophobicContact CD2-CE1 3.76Å; W14-F38 AromaticContact CD2-CZ 3.98Å; W14-F38 HydrophobicContact CD2-CZ 3.98Å; W14-F38 AromaticContact CE2-CE1 3.86Å; W14-F38 HydrophobicContact CE3-CZ 4.35Å; W14-F38 AromaticContact CG-CE1 3.55Å; W14-F38 HydrophobicContact CG-CE1 3.55Å; W14-F38 HydrophobicContact CG-CZ 4.23Å; W14-F38 AromaticContact NE1-CE1 3.7Å; E20-F38 WeakPolarHBondContact OE2-CB 3.48Å; E20-F38 WeakPolarHBondContact OE2-CD1 3.38Å; E20-F38 WeakPolarHBondContact OE2-CG 3.23Å; I36-F38 PolarHBondContact O-N 2.57Å; I36-F38 VanDerWaalsContact O-N 3.08Å; F38-P40 HydrophobicContact CD1-CG 4.31Å; F38-P40 HydrophobicContact CE1-CB 3.88Å; F38-P40 HydrophobicContact CE1-CG 3.7Å; F38-P40 HydrophobicContact CE2-CB 3.81Å; F38-P40 HydrophobicContact CE2-CG 4.46Å; F38-P40 HydrophobicContact CZ-CB 3.45Å; F38-P40 VanDerWaalsContact CZ-CB 3.45Å; F38-P40 HydrophobicContact CZ-CG 3.83Å; F38-A61 VanDerWaalsContact C-CB 3.45Å; F38-K68 PolarHBondContact O-NZ 3.06Å
39S96.3Very high96.8Very high1 Ų132 Ų321%0.00714%0.136CC..  trans56.564.8-179-1690000113.7I36 H65 K68I36-S39 WeakPolarHBondContact O-CA 3.5Å; I36-S39 PolarHBondContact O-N 3.19Å; S39-H65 WeakPolarHBondContact OG-CA 3.44Å; S39-H65 VanDerWaalsContact OG-CB 3.26Å; S39-H65 WeakPolarHBondContact OG-CB 3.34Å; S39-H65 PolarHBondContact OG-CD2 2.68Å; S39-H65 VanDerWaalsContact OG-CD2 3.25Å; S39-K68 PolarHBondContact O-NZ 3.2Å
40P96Very high97.2Very high4 Ų420.3 Ų20.33%0.0269%0.092CC..  trans-67.6162.2177.325.1-29.8000112.2M1 F12 C22 F38 L43 V44M1-P40 HydrophobicContact SD-CB 3.99Å; F12-P40 HydrophobicContact CD1-CG 4.37Å; F12-P40 HydrophobicContact CE1-CB 3.94Å; F12-P40 HydrophobicContact CE1-CG 3.49Å; F12-P40 VanDerWaalsContact CE1-CG 3.49Å; F12-P40 HydrophobicContact CZ-CB 4.22Å; F12-P40 HydrophobicContact CZ-CG 4.2Å; C22-P40 WeakPolarHBondContact SG-CD 3.47Å; C22-P40 WeakPolarHBondContact SG-CG 3.36Å; F38-P40 HydrophobicContact CD1-CG 4.31Å; F38-P40 HydrophobicContact CE1-CB 3.88Å; F38-P40 HydrophobicContact CE1-CG 3.7Å; F38-P40 HydrophobicContact CE2-CB 3.81Å; F38-P40 HydrophobicContact CE2-CG 4.46Å; F38-P40 HydrophobicContact CZ-CB 3.45Å; F38-P40 VanDerWaalsContact CZ-CB 3.45Å; F38-P40 HydrophobicContact CZ-CG 3.83Å; P40-L43 HydrophobicContact CG-CB 4.31Å; P40-L43 WeakPolarHBondContact O-CA 3.43Å; P40-L43 WeakPolarHBondContact O-CB 3.35Å; P40-L43 PolarHBondContact O-N 3.15Å; P40-V44 PolarHBondContact O-N 2.68Å; P40-V44 VanDerWaalsContact O-N 3.15Å
41R95.3Very high97.4Very high163 Ų16318.4 Ų18.462%0.6158%0.083SC*.Hα-helixtrans-50.5-43.4-176.1-176.9178.6179.886.6-0.9114.4L43 V44 F45R41-L43 PolarHBondContact O-N 3.06Å; R41-V44 PolarHBondContact O-N 2.68Å; R41-F45 HydrophobicContact CG-CE2 3.86Å; R41-F45 HydrophobicContact CG-CZ 4.5Å; R41-F45 VanDerWaalsContact O-CD2 3.24Å; R41-F45 WeakPolarHBondContact O-CD2 3.43Å
42P96.1Very high97.5Very high7 Ų717.9 Ų17.95%0.0458%0.079CC..Hα-helixtrans-56.1-37.7174.9-30.440.6000113.9M1 F3 F12 A24M1-P42 HydrophobicContact CB-CG 4.5Å; F3-P42 HydrophobicContact CE1-CB 4.42Å; F3-P42 HydrophobicContact CE2-CB 3.7Å; F3-P42 HydrophobicContact CE2-CG 4.37Å; F3-P42 HydrophobicContact CZ-CB 3.66Å; F12-P42 HydrophobicContact CB-CB 3.83Å; F12-P42 HydrophobicContact CB-CG 4.14Å; F12-P42 HydrophobicContact CD1-CB 3.68Å; F12-P42 HydrophobicContact CD1-CG 3.76Å; F12-P42 HydrophobicContact CD2-CB 4.43Å; F12-P42 HydrophobicContact CD2-CG 3.85Å; F12-P42 HydrophobicContact CE1-CB 4.4Å; F12-P42 HydrophobicContact CE1-CG 4.13Å; F12-P42 HydrophobicContact CE2-CG 4.2Å; F12-P42 HydrophobicContact CG-CB 3.7Å; F12-P42 HydrophobicContact CG-CG 3.61Å; F12-P42 HydrophobicContact CZ-CG 4.32Å; A24-P42 HydrophobicContact CB-CB 4.15Å
43L97.1Very high97.5Very high0 Ų017.9 Ų17.90%08%0.079CC..Hα-helixtrans-75.1-33.6-179.8-160.380.3000112.2C22 A24 G33 I36 P40 R41 F45 A46 I49 H65C22-L43 HydrophobicContact CB-CD1 4.49Å; C22-L43 HydrophobicContact CB-CD2 4.05Å; A24-L43 HydrophobicContact CB-CD1 4.03Å; G33-L43 VanDerWaalsContact CA-CD1 3.48Å; I36-L43 HydrophobicContact CB-CD2 4.22Å; I36-L43 HydrophobicContact CG1-CD2 4.04Å; I36-L43 HydrophobicContact CG2-CD2 4.37Å; P40-L43 HydrophobicContact CG-CB 4.31Å; P40-L43 WeakPolarHBondContact O-CA 3.43Å; P40-L43 WeakPolarHBondContact O-CB 3.35Å; P40-L43 PolarHBondContact O-N 3.15Å; R41-L43 PolarHBondContact O-N 3.06Å; L43-F45 PolarHBondContact O-N 3.08Å; L43-A46 VanDerWaalsContact O-CB 3.22Å; L43-A46 WeakPolarHBondContact O-CB 3.41Å; L43-A46 PolarHBondContact O-N 3.2Å; L43-I49 HydrophobicContact CG-CD1 4.28Å; L43-H65 PolarHBondContact O-NE2 3.45Å; L43-H65 VanDerWaalsContact O-NE2 3.1Å
44V96.7Very high97.5Very high10 Ų1019.1 Ų19.16%0.0619%0.093CC..Hα-helixtrans-55.2-27.9176.8175.70000112.3P40 R41 A46 K68 R69 L74P40-V44 PolarHBondContact O-N 2.68Å; P40-V44 VanDerWaalsContact O-N 3.15Å; R41-V44 PolarHBondContact O-N 2.68Å; V44-A46 VanDerWaalsContact C-N 3.34Å; V44-K68 HydrophobicContact CG1-CB 4.06Å; V44-K68 HydrophobicContact CG2-CB 3.89Å; V44-K68 HydrophobicContact CG2-CD 3.81Å; V44-K68 HydrophobicContact CG2-CG 4.41Å; V44-R69 HydrophobicContact CG1-CG 4.01Å; V44-R69 WeakPolarHBondContact O-CG 3.22Å; V44-R69 PolarHBondContact O-NH1 3.24Å; V44-L74 HydrophobicContact CG1-CD1 3.88Å
45F96.2Very high97.5Very high76 Ų7622.1 Ų22.133%0.33311%0.106SC..THydrogen-bonded Turntrans-81.2-7.7176.8-63.9-63.3000114.3R41 L43 D47 L74R41-F45 HydrophobicContact CG-CE2 3.86Å; R41-F45 HydrophobicContact CG-CZ 4.5Å; R41-F45 VanDerWaalsContact O-CD2 3.24Å; R41-F45 WeakPolarHBondContact O-CD2 3.43Å; L43-F45 PolarHBondContact O-N 3.08Å; F45-D47 PolarHBondContact O-N 2.78Å; F45-L74 HydrophobicContact CD1-CD1 4.07Å; F45-L74 HydrophobicContact CE1-CD1 4.34Å
46A97.4Very high97.5Very high0 Ų025.8 Ų25.80%014%0.137CC..  trans-73.1124.4178.600000111.6V31 L43 V44 I49 R69V31-A46 HydrophobicContact CB-CB 4.44Å; V31-A46 HydrophobicContact CG1-CB 3.96Å; V31-A46 VanDerWaalsContact O-CA 3.27Å; V31-A46 WeakPolarHBondContact O-CA 3.49Å; L43-A46 VanDerWaalsContact O-CB 3.22Å; L43-A46 WeakPolarHBondContact O-CB 3.41Å; L43-A46 PolarHBondContact O-N 3.2Å; V44-A46 VanDerWaalsContact C-N 3.34Å; A46-I49 HydrophobicContact CB-CD1 3.62Å; A46-R69 PolarHBondContact O-NH1 2.77Å
47D96.5Very high97.5Very high36 Ų3626.8 Ų26.819%0.19314%0.142CC..SBendtrans-84.1-25.9179.2-67-48.4000112.3V31 F45 R69 R75 A77 T78V31-D47 PolarHBondContact O-N 3.13Å; F45-D47 PolarHBondContact O-N 2.78Å; D47-R69 IonicContact OD1-CZ 3.55Å; D47-R69 IonicContact OD1-NH1 3.86Å; D47-R69 IonicContact OD1-NH2 2.67Å; D47-R69 PolarHBondContact OD1-NH2 2.86Å; D47-R75 VanDerWaalsContact CB-NH2 3.32Å; D47-R75 VanDerWaalsContact CG-CZ 3.47Å; D47-R75 IonicContact OD1-CZ 3.26Å; D47-R75 IonicContact OD1-NE 4Å; D47-R75 PolarHBondContact OD1-NE 2.9Å; D47-R75 IonicContact OD1-NH2 3.97Å; D47-R75 IonicContact OD2-CZ 3.39Å; D47-R75 IonicContact OD2-NE 3.58Å; D47-R75 IonicContact OD2-NH2 3.46Å; D47-R75 PolarHBondContact OD2-NH2 3.38Å; D47-A77 CarbonylContact O-C 3.57Å; D47-A77 VanDerWaalsContact O-CA 3.32Å; D47-A77 WeakPolarHBondContact O-CA 3.37Å; D47-A77 WeakPolarHBondContact O-CB 3.49Å; D47-T78 PolarHBondContact O-N 3.4Å
48H98.2Very high97.5Very high15 Ų1526.4 Ų26.47%0.06914%0.139CC..EExtended strand (participates in β ladder)trans-118.5123.4174.6-54.2111.6000108.8F32 G33 F50 F80F32-H48 HydrophobicContact CD1-CB 4.29Å; G33-H48 PolarHBondContact N-O 2.78Å; H48-F50 HydrophobicContact CB-CE2 3.92Å; H48-F50 HydrophobicContact CB-CZ 3.74Å; H48-F80 HydrophobicContact CB-CE2 4.29Å
49I98.7Very high97.6Very high0 Ų024.7 Ų24.70%013%0.132CC..EExtended strand (participates in β ladder)trans-112.4132174.6-56.8-61.4000109.4G33 I36 L43 A46 I51 T78 Y79 F80G33-I49 CarbonylContact O-C 3.6Å; G33-I49 WeakPolarHBondContact O-CA 3.48Å; I36-I49 HydrophobicContact CD1-CG2 3.81Å; I36-I49 HydrophobicContact CG1-CG2 3.66Å; L43-I49 HydrophobicContact CG-CD1 4.28Å; A46-I49 HydrophobicContact CB-CD1 3.62Å; I49-I51 HydrophobicContact CG2-CD1 3.63Å; I49-I51 HydrophobicContact CG2-CG1 4.23Å; I49-T78 PolarHBondContact N-O 2.99Å; I49-Y79 HydrophobicContact CB-CD1 3.77Å; I49-Y79 HydrophobicContact CB-CE1 4.24Å; I49-Y79 HydrophobicContact CB-CG 4.48Å; I49-Y79 HydrophobicContact CG1-CD1 3.91Å; I49-Y79 HydrophobicContact CG1-CE1 3.85Å; I49-Y79 HydrophobicContact CG2-CD1 4.17Å; I49-Y79 WeakPolarHBondContact O-CA 3.29Å; I49-F80 PolarHBondContact O-N 2.98Å
50F98.9Very high97.7Very high0 Ų027 Ų270%016%0.156CC..EExtended strand (participates in β ladder)trans-115107.3178.7-54.3-76.2000109.4F32 G33 F34 D35 H48 F80 L122 V128 Y142 L144F32-F50 HydrophobicContact CB-CE2 4.14Å; F32-F50 HydrophobicContact CD1-CE2 4.01Å; F32-F50 HydrophobicContact CD1-CZ 4.46Å; F32-F50 HydrophobicContact CG-CE2 4.48Å; G33-F50 WeakPolarHBondContact O-CD2 3.41Å; G33-F50 PolarHBondContact O-N 2.61Å; F34-F50 HydrophobicContact CD1-CB 3.9Å; F34-F50 AromaticContact CD1-CD2 3.85Å; F34-F50 HydrophobicContact CD1-CD2 3.85Å; F34-F50 HydrophobicContact CD1-CG 4.24Å; F34-F50 HydrophobicContact CE1-CB 4.28Å; F34-F50 AromaticContact CE1-CD2 3.56Å; F34-F50 HydrophobicContact CE1-CD2 3.56Å; F34-F50 HydrophobicContact CE1-CE2 4.26Å; F34-F50 HydrophobicContact CE1-CG 4.14Å; F34-F50 HydrophobicContact CZ-CD2 4.15Å; D35-F50 PolarHBondContact N-O 2.68Å; H48-F50 HydrophobicContact CB-CE2 3.92Å; H48-F50 HydrophobicContact CB-CZ 3.74Å; F50-F80 HydrophobicContact CD1-CB 3.8Å; F50-F80 AromaticContact CD1-CD2 3.65Å; F50-F80 HydrophobicContact CD1-CD2 3.65Å; F50-F80 HydrophobicContact CD1-CE2 4.47Å; F50-F80 AromaticContact CD1-CG 3.85Å; F50-F80 HydrophobicContact CD1-CG 3.85Å; F50-F80 HydrophobicContact CE1-CB 4.32Å; F50-F80 AromaticContact CE1-CD2 3.37Å; F50-F80 HydrophobicContact CE1-CD2 3.37Å; F50-F80 AromaticContact CE1-CE2 3.74Å; F50-F80 HydrophobicContact CE1-CE2 3.74Å; F50-F80 AromaticContact CE1-CG 3.84Å; F50-F80 HydrophobicContact CE1-CG 3.84Å; F50-F80 HydrophobicContact CE1-CZ 4.48Å; F50-F80 HydrophobicContact CZ-CD2 4.21Å; F50-F80 HydrophobicContact CZ-CE2 4.3Å; F50-L122 HydrophobicContact CE1-CD2 4.31Å; F50-L122 HydrophobicContact CZ-CD1 3.77Å; F50-L122 HydrophobicContact CZ-CD2 4.16Å; F50-V128 HydrophobicContact CD1-CG2 4.31Å; F50-V128 HydrophobicContact CE1-CB 4.1Å; F50-V128 HydrophobicContact CE1-CG1 3.89Å; F50-V128 HydrophobicContact CE1-CG2 3.98Å; F50-Y142 HydrophobicContact CB-CD1 4.03Å; F50-Y142 HydrophobicContact CB-CD2 3.59Å; F50-Y142 HydrophobicContact CB-CE1 4.13Å; F50-Y142 HydrophobicContact CB-CE2 3.69Å; F50-Y142 HydrophobicContact CB-CG 3.75Å; F50-Y142 AromaticContact CD1-CD1 3.6Å; F50-Y142 HydrophobicContact CD1-CD1 3.6Å; F50-Y142 AromaticContact CD1-CE1 3.87Å; F50-Y142 HydrophobicContact CD1-CE1 3.87Å; F50-Y142 HydrophobicContact CD1-CG 4.02Å; F50-Y142 HydrophobicContact CG-CD1 4.13Å; F50-Y142 HydrophobicContact CG-CD2 4.43Å; F50-Y142 HydrophobicContact CG-CE1 4.46Å; F50-Y142 HydrophobicContact CG-CG 4.1Å; F50-L144 HydrophobicContact CD2-CD1 4.36Å; F50-L144 HydrophobicContact CE2-CD1 4.07Å; F50-L144 HydrophobicContact CE2-CD2 3.88Å; F50-L144 HydrophobicContact CE2-CG 4.38Å; F50-L144 HydrophobicContact CZ-CD1 4.22Å; F50-L144 HydrophobicContact CZ-CD2 4.16Å; F50-L144 HydrophobicContact CZ-CG 4.35Å
51I98.9Very high97.8Very high0 Ų027 Ų270%016%0.156CC..  trans-92.2123.1179.2-55.3-58.7000109.2D35 I36 I49 H53 I59 I62 F80 M81 P82 L85 Y142D35-I51 WeakPolarHBondContact OD1-CA 3.37Å; I36-I51 HydrophobicContact CB-CD1 4.37Å; I36-I51 HydrophobicContact CD1-CD1 3.91Å; I36-I51 HydrophobicContact CG1-CD1 3.77Å; I49-I51 HydrophobicContact CG2-CD1 3.63Å; I49-I51 HydrophobicContact CG2-CG1 4.23Å; I51-H53 WeakPolarHBondContact CG2-O 3.49Å; I51-I59 HydrophobicContact CD1-CG1 4.35Å; I51-I59 HydrophobicContact CG1-CG1 4.44Å; I51-I59 HydrophobicContact CG2-CB 4.19Å; I51-I59 HydrophobicContact CG2-CD1 3.87Å; I51-I59 HydrophobicContact CG2-CG1 3.92Å; I51-I62 HydrophobicContact CG1-CD1 4.39Å; I51-F80 PolarHBondContact N-O 3.18Å; I51-M81 HydrophobicContact CB-CB 3.85Å; I51-M81 HydrophobicContact CG1-CB 4.23Å; I51-M81 HydrophobicContact CG2-CB 4.42Å; I51-P82 VanDerWaalsContact O-CD 3.26Å; I51-P82 WeakPolarHBondContact O-CD 3.34Å; I51-L85 HydrophobicContact CG2-CD1 4.35Å; I51-Y142 VanDerWaalsContact O-CE2 3.31Å; I51-Y142 WeakPolarHBondContact O-CE2 3.3Å; I51-Y142 PolarHBondContact O-OH 3.09Å
52S98.9Very high97.9Very high0 Ų019.4 Ų19.40%013%0.128CC..  trans-74.8-47.7-179.659.30000112.4D35 P82 S139 V140D35-S52 VanDerWaalsContact CG-OG 3.32Å; D35-S52 PolarHBondContact OD1-N 2.69Å; D35-S52 PolarHBondContact OD1-OG 3.4Å; D35-S52 PolarHBondContact OD2-OG 3.02Å; S52-P82 WeakPolarHBondContact O-CG 3.26Å; S52-S139 WeakPolarHBondContact O-CA 3.5Å; S52-V140 VanDerWaalsContact CA-O 3.31Å; S52-V140 WeakPolarHBondContact CA-O 3.22Å; S52-V140 WeakPolarHBondContact CB-O 3.49Å; S52-V140 PolarHBondContact O-N 3.25Å
53H98.8Very high97.9Very high0 Ų019.2 Ų19.20%013%0.127CC..  trans-159.8-179.4-174.970.3-70.9000112.7I51 H55 H58 H135 I137 D162I51-H53 WeakPolarHBondContact CG2-O 3.49Å; H53-H55 AromaticContact CD2-CG 3.48Å; H53-H55 VanDerWaalsContact CD2-CG 3.48Å; H53-H55 PolarHBondContact CD2-N 3.46Å; H53-H55 AromaticContact CD2-ND1 3.28Å; H53-H55 PolarHBondContact CD2-ND1 3.24Å; H53-H55 VanDerWaalsContact CD2-ND1 3.28Å; H53-H55 VanDerWaalsContact NE2-CB 3.34Å; H53-H55 WeakPolarHBondContact NE2-CB 3.31Å; H53-H55 AromaticContact NE2-CE1 3.98Å; H53-H55 AromaticContact NE2-CG 3.33Å; H53-H55 VanDerWaalsContact NE2-CG 3.33Å; H53-H55 AromaticContact NE2-ND1 2.92Å; H53-H55 PolarHBondContact NE2-ND1 3.19Å; H53-H58 AromaticContact CE1-CD2 3.3Å; H53-H58 PolarHBondContact CE1-CD2 3.17Å; H53-H58 AromaticContact CE1-CE1 3.57Å; H53-H58 AromaticContact CE1-CG 3.36Å; H53-H58 AromaticContact CE1-ND1 3.52Å; H53-H58 AromaticContact CE1-NE2 3.49Å; H53-H58 PolarHBondContact CE1-NE2 2.68Å; H53-H58 AromaticContact ND1-CG 3.94Å; H53-H58 AromaticContact NE2-CD2 3.67Å; H53-H135 AromaticContact CD2-CD2 3.86Å; H53-H135 AromaticContact NE2-CD2 3.99Å; H53-H135 AromaticContact NE2-NE2 3.83Å; H53-I137 HydrophobicContact CB-CD1 4.21Å; H53-I137 HydrophobicContact CB-CG1 4.38Å; H53-D162 IonicContact CE1-OD2 3.65Å; H53-D162 IonicContact NE2-OD2 3.94Å
54G98.4Very high97.8Very high27 Ų2723.8 Ų23.828%0.27815%0.148SC..  trans-90.85-169.300000117.1
55H98.5Very high97.9Very high62 Ų6223.3 Ų23.329%0.28715%0.145SC..  trans-67.1144.9176.6-69.9151.5000111.6H53 D57 H58 I59 H135H53-H55 AromaticContact CD2-CG 3.48Å; H53-H55 VanDerWaalsContact CD2-CG 3.48Å; H53-H55 PolarHBondContact CD2-N 3.46Å; H53-H55 AromaticContact CD2-ND1 3.28Å; H53-H55 PolarHBondContact CD2-ND1 3.24Å; H53-H55 VanDerWaalsContact CD2-ND1 3.28Å; H53-H55 VanDerWaalsContact NE2-CB 3.34Å; H53-H55 WeakPolarHBondContact NE2-CB 3.31Å; H53-H55 AromaticContact NE2-CE1 3.98Å; H53-H55 AromaticContact NE2-CG 3.33Å; H53-H55 VanDerWaalsContact NE2-CG 3.33Å; H53-H55 AromaticContact NE2-ND1 2.92Å; H53-H55 PolarHBondContact NE2-ND1 3.19Å; H55-D57 VanDerWaalsContact C-N 3.31Å; H55-D57 WeakPolarHBondContact CB-OD1 3.26Å; H55-D57 PolarHBondContact O-N 2.79Å; H55-H58 PolarHBondContact O-N 3.31Å; H55-I59 PolarHBondContact O-N 2.89Å; H55-H135 AromaticContact CE1-NE2 3.15Å; H55-H135 PolarHBondContact CE1-NE2 3.34Å; H55-H135 AromaticContact ND1-NE2 3.37Å; H55-H135 PolarHBondContact ND1-NE2 3.06Å
56A98.1Very high97.9Very high78 Ų7819.8 Ų19.865%0.64513%0.13SC*.Hα-helixtrans-65-32.9-168.400000113.1H58 G60A56-H58 PolarHBondContact O-N 2.89Å; A56-G60 WeakPolarHBondContact O-CA 3.49Å; A56-G60 PolarHBondContact O-N 3.48Å
57D98.3Very high97.8Very high20 Ų2022.9 Ų22.911%0.10714%0.143CC..Hα-helixtrans-70.3-14.3175.658.7-41.4000113.2G18 N19 E20 T21 G37 H55 H229G18-D57 WeakPolarHBondContact CA-OD2 3.27Å; G18-D57 PolarHBondContact N-OD2 2.96Å; G18-D57 VanDerWaalsContact N-OD2 3.16Å; N19-D57 VanDerWaalsContact C-CB 3.44Å; N19-D57 WeakPolarHBondContact O-CB 3.18Å; E20-D57 CarbonylContact C-O 3.52Å; E20-D57 WeakPolarHBondContact CA-O 3.49Å; T21-D57 PolarHBondContact N-O 2.83Å; G37-D57 VanDerWaalsContact CA-O 3.3Å; G37-D57 WeakPolarHBondContact CA-O 3.46Å; H55-D57 VanDerWaalsContact C-N 3.31Å; H55-D57 WeakPolarHBondContact CB-OD1 3.26Å; H55-D57 PolarHBondContact O-N 2.79Å; D57-H229 IonicContact OD2-NE2 3.82Å
58H98.7Very high97.7Very high0 Ų024.2 Ų24.20%015%0.147CC..Hα-helixtrans-99-48.3174.7-69.1-101.6000112.1D35 I36 G37 H53 H55 A56 D162 H229D35-H58 HydrophobicContact CB-CB 4.07Å; D35-H58 IonicContact OD2-CE1 2.79Å; D35-H58 IonicContact OD2-CG 3.58Å; D35-H58 IonicContact OD2-ND1 3.29Å; D35-H58 PolarHBondContact OD2-ND1 2.66Å; I36-H58 WeakPolarHBondContact CA-O 3.4Å; I36-H58 PolarHBondContact N-O 3.4Å; G37-H58 PolarHBondContact N-O 2.81Å; H53-H58 AromaticContact CE1-CD2 3.3Å; H53-H58 PolarHBondContact CE1-CD2 3.17Å; H53-H58 AromaticContact CE1-CE1 3.57Å; H53-H58 AromaticContact CE1-CG 3.36Å; H53-H58 AromaticContact CE1-ND1 3.52Å; H53-H58 AromaticContact CE1-NE2 3.49Å; H53-H58 PolarHBondContact CE1-NE2 2.68Å; H53-H58 AromaticContact ND1-CG 3.94Å; H53-H58 AromaticContact NE2-CD2 3.67Å; H55-H58 PolarHBondContact O-N 3.31Å; A56-H58 PolarHBondContact O-N 2.89Å; H58-D162 IonicContact CE1-OD1 2.89Å; H58-D162 PolarHBondContact CE1-OD1 3.18Å; H58-D162 IonicContact CE1-OD2 3.28Å; H58-D162 IonicContact NE2-OD1 3.7Å; H58-D162 PolarHBondContact NE2-OD1 3.37Å; H58-D162 IonicContact NE2-OD2 3.49Å; H58-D162 PolarHBondContact NE2-OD2 3.2Å; H58-H229 AromaticContact NE2-CD2 3.89Å; H58-H229 AromaticContact NE2-NE2 3.81Å
59I98.4Very high97.6Very high19 Ų1923.8 Ų23.810%0.09715%0.145CC..Hα-helixtrans-101.5-11.7-172.6-158.4177.2000114.2I51 H55 A61 I62 L85 V89I51-I59 HydrophobicContact CD1-CG1 4.35Å; I51-I59 HydrophobicContact CG1-CG1 4.44Å; I51-I59 HydrophobicContact CG2-CB 4.19Å; I51-I59 HydrophobicContact CG2-CD1 3.87Å; I51-I59 HydrophobicContact CG2-CG1 3.92Å; H55-I59 PolarHBondContact O-N 2.89Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 3.27Å; I59-A61 VanDerWaalsContact O-N 3.08Å; I59-I62 HydrophobicContact CD1-CD1 4.26Å; I59-I62 HydrophobicContact CG1-CB 4.16Å; I59-I62 HydrophobicContact CG1-CD1 4.01Å; I59-I62 HydrophobicContact CG1-CG2 4.17Å; I59-I62 VanDerWaalsContact O-CB 3.27Å; I59-I62 WeakPolarHBondContact O-CB 3.22Å; I59-I62 WeakPolarHBondContact O-CG2 3.13Å; I59-I62 PolarHBondContact O-N 2.88Å; I59-L85 HydrophobicContact CD1-CD1 4.21Å; I59-V89 HydrophobicContact CD1-CG2 3.7Å
60G97.4Very high97.4Very high51 Ų5126 Ų2653%0.52616%0.163SC..THydrogen-bonded Turntrans-54.3-37.6-16200000116.1A56 I62A56-G60 WeakPolarHBondContact O-CA 3.49Å; A56-G60 PolarHBondContact O-N 3.48Å; G60-I62 VanDerWaalsContact C-N 3.35Å; G60-I62 PolarHBondContact O-N 3.48Å
61A97.7Very high97.1Very high3 Ų331.5 Ų31.53%0.02519%0.192CC..THydrogen-bonded Turntrans-9119.517900000114.8I36 G37 F38 I59 A63 Q64 H65I36-A61 HydrophobicContact CG2-CB 3.71Å; G37-A61 WeakPolarHBondContact O-CB 3.21Å; G37-A61 PolarHBondContact O-N 2.82Å; F38-A61 VanDerWaalsContact C-CB 3.45Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 3.27Å; I59-A61 VanDerWaalsContact O-N 3.08Å; A61-A63 PolarHBondContact O-N 2.98Å; A61-Q64 HydrophobicContact CB-CB 4.1Å; A61-Q64 HydrophobicContact CB-CG 4.33Å; A61-Q64 CarbonylContact O-C 3.57Å; A61-Q64 WeakPolarHBondContact O-CA 3.47Å; A61-Q64 WeakPolarHBondContact O-CB 3.35Å; A61-Q64 PolarHBondContact O-N 3.08Å; A61-H65 PolarHBondContact O-N 3.3Å
62I97.8Very high96.8Very high4 Ų435.5 Ų35.52%0.02121%0.214CC..Hα-helixtrans-56.3-45.8-177.7-171.3156.1000113.2I36 I51 I59 G60 H65 M66 Y79 M81 V89I36-I62 HydrophobicContact CD1-CB 3.86Å; I36-I62 HydrophobicContact CD1-CD1 4.3Å; I36-I62 HydrophobicContact CD1-CG1 3.8Å; I51-I62 HydrophobicContact CG1-CD1 4.39Å; I59-I62 HydrophobicContact CD1-CD1 4.26Å; I59-I62 HydrophobicContact CG1-CB 4.16Å; I59-I62 HydrophobicContact CG1-CD1 4.01Å; I59-I62 HydrophobicContact CG1-CG2 4.17Å; I59-I62 VanDerWaalsContact O-CB 3.27Å; I59-I62 WeakPolarHBondContact O-CB 3.22Å; I59-I62 WeakPolarHBondContact O-CG2 3.13Å; I59-I62 PolarHBondContact O-N 2.88Å; G60-I62 VanDerWaalsContact C-N 3.35Å; G60-I62 PolarHBondContact O-N 3.48Å; I62-H65 PolarHBondContact O-N 3.27Å; I62-M66 HydrophobicContact CD1-CE 4.34Å; I62-M66 HydrophobicContact CG1-CE 3.55Å; I62-M66 PolarHBondContact O-N 2.93Å; I62-Y79 HydrophobicContact CD1-CD1 4.09Å; I62-Y79 HydrophobicContact CG1-CD1 4.12Å; I62-Y79 HydrophobicContact CG1-CE1 4.24Å; I62-M81 HydrophobicContact CD1-CE 3.72Å; I62-V89 HydrophobicContact CD1-CG1 3.91Å; I62-V89 HydrophobicContact CD1-CG2 4.17Å; I62-V89 HydrophobicContact CG1-CG1 4.26Å; I62-V89 HydrophobicContact CG2-CG1 4.17Å
63A96.5Very high96.6Very high2 Ų242.9 Ų42.92%0.01725%0.253CS..Hα-helixtrans-65.6-39.4175.300000111.6A61 H65 M66 K67 I92 F96 F107A61-A63 PolarHBondContact O-N 2.98Å; A63-H65 VanDerWaalsContact C-N 3.33Å; A63-H65 PolarHBondContact O-N 3.44Å; A63-M66 PolarHBondContact O-N 2.97Å; A63-K67 PolarHBondContact O-N 2.96Å; A63-I92 HydrophobicContact CB-CG2 4.41Å; A63-F96 HydrophobicContact CB-CD2 3.76Å; A63-F96 HydrophobicContact CB-CE2 3.79Å; A63-F107 HydrophobicContact CB-CD1 3.68Å; A63-F107 HydrophobicContact CB-CE1 3.67Å; A63-F107 WeakPolarHBondContact O-CD1 3.35Å; A63-F107 WeakPolarHBondContact O-CE1 3.43Å
64Q95.6Very high96.4Very high96 Ų9645.5 Ų45.545%0.44927%0.267SS..Hα-helixtrans-65.3-36.1176.8-59.2-177.95.200112.1A61 K67 K68A61-Q64 HydrophobicContact CB-CB 4.1Å; A61-Q64 HydrophobicContact CB-CG 4.33Å; A61-Q64 CarbonylContact O-C 3.57Å; A61-Q64 WeakPolarHBondContact O-CA 3.47Å; A61-Q64 WeakPolarHBondContact O-CB 3.35Å; A61-Q64 PolarHBondContact O-N 3.08Å; Q64-K67 PolarHBondContact O-N 3.5Å; Q64-K68 VanDerWaalsContact O-CB 3.32Å; Q64-K68 WeakPolarHBondContact O-CB 3.47Å; Q64-K68 WeakPolarHBondContact O-CG 3.24Å; Q64-K68 PolarHBondContact O-N 2.81Å
65H97.6Very high96.2Very high0 Ų051.2 Ų51.20%028%0.28CS..Hα-helixtrans-61.4-49.6175.4-179.1-100.6000111.1I36 S39 L43 A61 I62 A63 K67 K68 R69 Y79I36-H65 HydrophobicContact CD1-CB 4.16Å; I36-H65 HydrophobicContact CG2-CB 4.43Å; S39-H65 WeakPolarHBondContact OG-CA 3.44Å; S39-H65 VanDerWaalsContact OG-CB 3.26Å; S39-H65 WeakPolarHBondContact OG-CB 3.34Å; S39-H65 PolarHBondContact OG-CD2 2.68Å; S39-H65 VanDerWaalsContact OG-CD2 3.25Å; L43-H65 PolarHBondContact O-NE2 3.45Å; L43-H65 VanDerWaalsContact O-NE2 3.1Å; A61-H65 PolarHBondContact O-N 3.3Å; I62-H65 PolarHBondContact O-N 3.27Å; A63-H65 VanDerWaalsContact C-N 3.33Å; A63-H65 PolarHBondContact O-N 3.44Å; H65-K67 VanDerWaalsContact C-N 3.29Å; H65-K67 PolarHBondContact O-N 3.03Å; H65-K68 PolarHBondContact O-N 2.78Å; H65-R69 WeakPolarHBondContact CE1-CD 3.25Å; H65-R69 WeakPolarHBondContact O-CG 3.49Å; H65-R69 PolarHBondContact O-N 3.2Å; H65-Y79 AromaticContact ND1-CE1 3.4Å; H65-Y79 WeakPolarHBondContact ND1-CE1 3.46Å; H65-Y79 AromaticContact ND1-CZ 3.49Å; H65-Y79 PolarHBondContact ND1-OH 2.83Å
66M96.9Very high96Very high3 Ų356.4 Ų56.42%0.01530%0.297CS..Hα-helixtrans-54.5-47.8175-67.8175.4-140.900111.1I62 A63 R69 A70 Y79 V89 F107 F111I62-M66 HydrophobicContact CD1-CE 4.34Å; I62-M66 HydrophobicContact CG1-CE 3.55Å; I62-M66 PolarHBondContact O-N 2.93Å; A63-M66 PolarHBondContact O-N 2.97Å; M66-R69 PolarHBondContact O-N 3.48Å; M66-A70 PolarHBondContact O-N 3.01Å; M66-Y79 HydrophobicContact CE-CD2 4.38Å; M66-Y79 HydrophobicContact CE-CE1 4.25Å; M66-Y79 HydrophobicContact CE-CE2 4.08Å; M66-Y79 HydrophobicContact CG-CE1 4.4Å; M66-Y79 HydrophobicContact CG-CE2 3.89Å; M66-Y79 WeakPolarHBondContact CG-OH 3.46Å; M66-Y79 HydrophobicContact SD-CE2 4.44Å; M66-V89 HydrophobicContact CE-CG1 4.43Å; M66-F107 HydrophobicContact CB-CD1 4.46Å; M66-F107 HydrophobicContact SD-CB 3.93Å; M66-F111 HydrophobicContact CE-CE1 3.38Å; M66-F111 HydrophobicContact CE-CZ 3.59Å; M66-F111 HydrophobicContact SD-CE1 4.08Å; M66-F111 HydrophobicContact SD-CZ 4.04Å
67K94.4Very high96Very high65 Ų6552.8 Ų52.828%0.28327%0.267SS..Hα-helixtrans-64.3-44.8-179.7-176.458.7177.3176.10112.8A63 Q64 H65 R69 A70 L71 D106 F107A63-K67 PolarHBondContact O-N 2.96Å; Q64-K67 PolarHBondContact O-N 3.5Å; H65-K67 VanDerWaalsContact C-N 3.29Å; H65-K67 PolarHBondContact O-N 3.03Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 2.96Å; K67-A70 PolarHBondContact O-N 2.95Å; K67-L71 HydrophobicContact CD-CD1 4.36Å; K67-L71 HydrophobicContact CD-CG 4.31Å; K67-L71 HydrophobicContact CG-CD1 4.07Å; K67-L71 HydrophobicContact CG-CG 4.48Å; K67-L71 VanDerWaalsContact O-CG 3.32Å; K67-L71 WeakPolarHBondContact O-CG 3.42Å; K67-L71 PolarHBondContact O-N 3.29Å; K67-D106 WeakPolarHBondContact CE-OD2 3.41Å; K67-D106 IonicContact NZ-OD2 2.66Å; K67-D106 PolarHBondContact NZ-OD2 3.03Å; K67-F107 HydrophobicContact CB-CE1 4.34Å
68K95.5Very high96Very high63 Ų6353.1 Ų53.127%0.27427%0.27SS..Hα-helixtrans-59.2-42176.4-76.8166.2178.1170.20110.7F38 S39 V44 Q64 H65 L71 N72F38-K68 PolarHBondContact O-NZ 3.06Å; S39-K68 PolarHBondContact O-NZ 3.2Å; V44-K68 HydrophobicContact CG1-CB 4.06Å; V44-K68 HydrophobicContact CG2-CB 3.89Å; V44-K68 HydrophobicContact CG2-CD 3.81Å; V44-K68 HydrophobicContact CG2-CG 4.41Å; Q64-K68 VanDerWaalsContact O-CB 3.32Å; Q64-K68 WeakPolarHBondContact O-CB 3.47Å; Q64-K68 WeakPolarHBondContact O-CG 3.24Å; Q64-K68 PolarHBondContact O-N 2.81Å; H65-K68 PolarHBondContact O-N 2.78Å; K68-L71 PolarHBondContact O-N 2.88Å; K68-N72 PolarHBondContact O-N 3.16Å; K68-N72 VanDerWaalsContact O-N 3.14Å; K68-N72 PolarHBondContact O-ND2 3.3Å
69R96.3Very high96Very high6 Ų653.1 Ų53.12%0.02327%0.27CS..Hα-helixtrans-63.6-47.1175.9-71.6-171.666.598.2-10.2112.4V44 A46 D47 H65 M66 K67 L71 N72 N73 L74 R75V44-R69 HydrophobicContact CG1-CG 4.01Å; V44-R69 WeakPolarHBondContact O-CG 3.22Å; V44-R69 PolarHBondContact O-NH1 3.24Å; A46-R69 PolarHBondContact O-NH1 2.77Å; D47-R69 IonicContact OD1-CZ 3.55Å; D47-R69 IonicContact OD1-NH1 3.86Å; D47-R69 IonicContact OD1-NH2 2.67Å; D47-R69 PolarHBondContact OD1-NH2 2.86Å; H65-R69 WeakPolarHBondContact CE1-CD 3.25Å; H65-R69 WeakPolarHBondContact O-CG 3.49Å; H65-R69 PolarHBondContact O-N 3.2Å; M66-R69 PolarHBondContact O-N 3.48Å; K67-R69 VanDerWaalsContact C-N 3.31Å; K67-R69 PolarHBondContact O-N 2.96Å; R69-L71 PolarHBondContact O-N 3.34Å; R69-N72 CarbonylContact O-C 3.58Å; R69-N72 PolarHBondContact O-N 3.32Å; R69-N72 VanDerWaalsContact O-N 3.16Å; R69-N73 PolarHBondContact O-N 3.2Å; R69-L74 HydrophobicContact CB-CB 4.12Å; R69-L74 HydrophobicContact CG-CB 4.41Å; R69-L74 HydrophobicContact CG-CD1 4.22Å; R69-L74 PolarHBondContact O-N 2.91Å; R69-R75 PolarHBondContact NE-O 3.01Å; R69-R75 PolarHBondContact NH2-O 3.42Å
70A93.3Very high96Very high47 Ų4752.6 Ų52.639%0.38827%0.267SS..Hα-helixtrans-58.7-45.5176.700000112M66 K67 N72 N73M66-A70 PolarHBondContact O-N 3.01Å; K67-A70 PolarHBondContact O-N 2.95Å; A70-N72 PolarHBondContact O-N 3.19Å; A70-N73 PolarHBondContact O-N 2.83Å; A70-N73 VanDerWaalsContact O-N 3.14Å
71L92.9Very high96Very high116 Ų11650.1 Ų50.161%0.60724%0.242SC*.Hα-helixtrans-63.5-28177.8-71.7169.8000113.7K67 K68 R69K67-L71 HydrophobicContact CD-CD1 4.36Å; K67-L71 HydrophobicContact CD-CG 4.31Å; K67-L71 HydrophobicContact CG-CD1 4.07Å; K67-L71 HydrophobicContact CG-CG 4.48Å; K67-L71 VanDerWaalsContact O-CG 3.32Å; K67-L71 WeakPolarHBondContact O-CG 3.42Å; K67-L71 PolarHBondContact O-N 3.29Å; K68-L71 PolarHBondContact O-N 2.88Å; R69-L71 PolarHBondContact O-N 3.34Å
72N93.8Very high96.1Very high83 Ų8350.1 Ų50.144%0.44424%0.241SC..THydrogen-bonded Turntrans-96.213.8178.9-72-93.3000112.6K68 R69 A70 L74K68-N72 PolarHBondContact O-N 3.16Å; K68-N72 VanDerWaalsContact O-N 3.14Å; K68-N72 PolarHBondContact O-ND2 3.3Å; R69-N72 CarbonylContact O-C 3.58Å; R69-N72 PolarHBondContact O-N 3.32Å; R69-N72 VanDerWaalsContact O-N 3.16Å; A70-N72 PolarHBondContact O-N 3.19Å; N72-L74 HydrophobicContact CB-CD1 4.2Å; N72-L74 HydrophobicContact CB-CG 3.98Å; N72-L74 PolarHBondContact O-N 3.08Å; N72-L74 VanDerWaalsContact O-N 3.15Å
73N94Very high96.1Very high155 Ų15555.1 Ų55.183%0.82926%0.263SS*.THydrogen-bonded Turntrans51.834-177.4-61.6-51.4000113.6R69 A70R69-N73 PolarHBondContact O-N 3.2Å; A70-N73 PolarHBondContact O-N 2.83Å; A70-N73 VanDerWaalsContact O-N 3.14Å
74L95.1Very high96.2Very high55 Ų5558.8 Ų58.829%0.28828%0.279SS..PPolyproline II helixtrans-85152.4176.7-60178.6000110.2V44 F45 R69 N72V44-L74 HydrophobicContact CG1-CD1 3.88Å; F45-L74 HydrophobicContact CD1-CD1 4.07Å; F45-L74 HydrophobicContact CE1-CD1 4.34Å; R69-L74 HydrophobicContact CB-CB 4.12Å; R69-L74 HydrophobicContact CG-CB 4.41Å; R69-L74 HydrophobicContact CG-CD1 4.22Å; R69-L74 PolarHBondContact O-N 2.91Å; N72-L74 HydrophobicContact CB-CD1 4.2Å; N72-L74 HydrophobicContact CB-CG 3.98Å; N72-L74 PolarHBondContact O-N 3.08Å; N72-L74 VanDerWaalsContact O-N 3.15Å
75R93.1Very high96.3Very high148 Ų14854.8 Ų54.856%0.55826%0.261SS*.PPolyproline II helixtrans-49.4149.8171.1158.6168.576131.6-17.2111.4D47 R69 A77D47-R75 VanDerWaalsContact CB-NH2 3.32Å; D47-R75 VanDerWaalsContact CG-CZ 3.47Å; D47-R75 IonicContact OD1-CZ 3.26Å; D47-R75 IonicContact OD1-NE 4Å; D47-R75 PolarHBondContact OD1-NE 2.9Å; D47-R75 IonicContact OD1-NH2 3.97Å; D47-R75 IonicContact OD2-CZ 3.39Å; D47-R75 IonicContact OD2-NE 3.58Å; D47-R75 IonicContact OD2-NH2 3.46Å; D47-R75 PolarHBondContact OD2-NH2 3.38Å; R69-R75 PolarHBondContact NE-O 3.01Å; R69-R75 PolarHBondContact NH2-O 3.42Å; R75-A77 PolarHBondContact O-N 3.08Å
76R94.7Very high96.4Very high171 Ų17155.6 Ų55.665%0.64527%0.266SS*.PPolyproline II helixtrans-59.5128.9169.4-59.1175.7179.3-147.9-8.7109.8V108R76-V108 HydrophobicContact CG-CG1 3.58Å
77A97.6Very high96.4Very high1 Ų159.1 Ų59.11%0.00829%0.289CS..PPolyproline II helixtrans-82.9158.7174.600000111.5D47 R75 Y79 T110D47-A77 CarbonylContact O-C 3.57Å; D47-A77 VanDerWaalsContact O-CA 3.32Å; D47-A77 WeakPolarHBondContact O-CA 3.37Å; D47-A77 WeakPolarHBondContact O-CB 3.49Å; R75-A77 PolarHBondContact O-N 3.08Å; A77-Y79 HydrophobicContact CB-CE2 3.91Å; A77-Y79 WeakPolarHBondContact O-CE2 3.45Å; A77-T110 PolarHBondContact O-N 3.17Å
78T98.3Very high96.6Very high28 Ų2861.8 Ų61.817%0.17230%0.302CS..EExtended strand (participates in β ladder)trans-102.6131.7170.6-56.90000109.3D47 I49 F80 T110 V112D47-T78 PolarHBondContact O-N 3.4Å; I49-T78 PolarHBondContact N-O 2.99Å; T78-F80 HydrophobicContact CG2-CD2 4.19Å; T78-F80 HydrophobicContact CG2-CE2 3.59Å; T78-F80 HydrophobicContact CG2-CZ 3.78Å; T78-T110 CarbonylContact C-O 3.55Å; T78-T110 WeakPolarHBondContact CA-O 3.25Å; T78-T110 HydrophobicContact CG2-CG2 4.27Å; T78-V112 HydrophobicContact CG2-CG2 3.51Å
79Y98.6Very high96.7Very high0 Ų058.9 Ų58.90%029%0.29CS..EExtended strand (participates in β ladder)trans-116.3108.7-177.3-54.9-98.6000109I36 I49 I62 H65 M66 A77 T110 F111 V112I36-Y79 HydrophobicContact CD1-CD1 4.15Å; I36-Y79 HydrophobicContact CD1-CE1 3.98Å; I49-Y79 HydrophobicContact CB-CD1 3.77Å; I49-Y79 HydrophobicContact CB-CE1 4.24Å; I49-Y79 HydrophobicContact CB-CG 4.48Å; I49-Y79 HydrophobicContact CG1-CD1 3.91Å; I49-Y79 HydrophobicContact CG1-CE1 3.85Å; I49-Y79 HydrophobicContact CG2-CD1 4.17Å; I49-Y79 WeakPolarHBondContact O-CA 3.29Å; I62-Y79 HydrophobicContact CD1-CD1 4.09Å; I62-Y79 HydrophobicContact CG1-CD1 4.12Å; I62-Y79 HydrophobicContact CG1-CE1 4.24Å; H65-Y79 AromaticContact ND1-CE1 3.4Å; H65-Y79 WeakPolarHBondContact ND1-CE1 3.46Å; H65-Y79 AromaticContact ND1-CZ 3.49Å; H65-Y79 PolarHBondContact ND1-OH 2.83Å; M66-Y79 HydrophobicContact CE-CD2 4.38Å; M66-Y79 HydrophobicContact CE-CE1 4.25Å; M66-Y79 HydrophobicContact CE-CE2 4.08Å; M66-Y79 HydrophobicContact CG-CE1 4.4Å; M66-Y79 HydrophobicContact CG-CE2 3.89Å; M66-Y79 WeakPolarHBondContact CG-OH 3.46Å; M66-Y79 HydrophobicContact SD-CE2 4.44Å; A77-Y79 HydrophobicContact CB-CE2 3.91Å; A77-Y79 WeakPolarHBondContact O-CE2 3.45Å; Y79-T110 PolarHBondContact N-O 2.99Å; Y79-F111 AromaticContact CD2-CD1 3.96Å; Y79-F111 HydrophobicContact CD2-CD1 3.96Å; Y79-F111 AromaticContact CD2-CE1 3.91Å; Y79-F111 HydrophobicContact CD2-CE1 3.91Å; Y79-F111 HydrophobicContact CE2-CE1 4.48Å; Y79-F111 HydrophobicContact CG-CD1 4.29Å; Y79-F111 HydrophobicContact CG-CE1 4.36Å; Y79-V112 PolarHBondContact O-N 2.81Å
80F98.8Very high96.7Very high7 Ų763.8 Ų63.83%0.03131%0.311CS..EExtended strand (participates in β ladder)trans-86.4126.8171.6-60.4-94.4000108.1H48 I49 F50 I51 T78 V112 V114 Y120 L122 V128 Y142H48-F80 HydrophobicContact CB-CE2 4.29Å; I49-F80 PolarHBondContact O-N 2.98Å; F50-F80 HydrophobicContact CD1-CB 3.8Å; F50-F80 AromaticContact CD1-CD2 3.65Å; F50-F80 HydrophobicContact CD1-CD2 3.65Å; F50-F80 HydrophobicContact CD1-CE2 4.47Å; F50-F80 AromaticContact CD1-CG 3.85Å; F50-F80 HydrophobicContact CD1-CG 3.85Å; F50-F80 HydrophobicContact CE1-CB 4.32Å; F50-F80 AromaticContact CE1-CD2 3.37Å; F50-F80 HydrophobicContact CE1-CD2 3.37Å; F50-F80 AromaticContact CE1-CE2 3.74Å; F50-F80 HydrophobicContact CE1-CE2 3.74Å; F50-F80 AromaticContact CE1-CG 3.84Å; F50-F80 HydrophobicContact CE1-CG 3.84Å; F50-F80 HydrophobicContact CE1-CZ 4.48Å; F50-F80 HydrophobicContact CZ-CD2 4.21Å; F50-F80 HydrophobicContact CZ-CE2 4.3Å; I51-F80 PolarHBondContact N-O 3.18Å; T78-F80 HydrophobicContact CG2-CD2 4.19Å; T78-F80 HydrophobicContact CG2-CE2 3.59Å; T78-F80 HydrophobicContact CG2-CZ 3.78Å; F80-V112 WeakPolarHBondContact CA-O 3.4Å; F80-V112 HydrophobicContact CD1-CB 3.72Å; F80-V112 HydrophobicContact CD1-CG1 3.67Å; F80-V112 HydrophobicContact CD1-CG2 4.31Å; F80-V112 HydrophobicContact CE1-CB 3.94Å; F80-V112 HydrophobicContact CE1-CG1 3.77Å; F80-V112 HydrophobicContact CE1-CG2 4.06Å; F80-V112 HydrophobicContact CG-CB 4.33Å; F80-V112 HydrophobicContact CZ-CG2 4.45Å; F80-V114 HydrophobicContact CB-CG1 3.92Å; F80-V114 HydrophobicContact CD1-CG1 3.92Å; F80-V114 HydrophobicContact CG-CG1 4.44Å; F80-Y120 HydrophobicContact CD1-CD2 4.18Å; F80-Y120 HydrophobicContact CD1-CG 4.25Å; F80-Y120 HydrophobicContact CE1-CD1 4.2Å; F80-Y120 HydrophobicContact CE1-CD2 4.12Å; F80-Y120 AromaticContact CE1-CG 3.75Å; F80-Y120 HydrophobicContact CE1-CG 3.75Å; F80-L122 HydrophobicContact CE1-CD2 4.32Å; F80-L122 HydrophobicContact CE2-CD2 3.67Å; F80-L122 HydrophobicContact CZ-CD2 3.4Å; F80-L122 VanDerWaalsContact CZ-CD2 3.4Å; F80-V128 HydrophobicContact CE1-CG1 4.44Å; F80-Y142 HydrophobicContact CB-CE1 3.96Å; F80-Y142 PolarHBondContact O-OH 2.57Å
81M98.7Very high96.8Very high0 Ų064.2 Ų64.20%032%0.315CS..EExtended strand (participates in β ladder)trans-154.2152.1-178.967.2-172.670.600111I51 I62 K83 L85 V86 V89 F111 V112 V114I51-M81 HydrophobicContact CB-CB 3.85Å; I51-M81 HydrophobicContact CG1-CB 4.23Å; I51-M81 HydrophobicContact CG2-CB 4.42Å; I62-M81 HydrophobicContact CD1-CE 3.72Å; M81-K83 PolarHBondContact O-N 2.84Å; M81-L85 HydrophobicContact CB-CD1 4.47Å; M81-L85 HydrophobicContact CG-CB 4.27Å; M81-L85 HydrophobicContact SD-CB 4.06Å; M81-V86 HydrophobicContact CG-CG2 3.83Å; M81-V86 HydrophobicContact SD-CG2 3.93Å; M81-V89 HydrophobicContact CE-CG2 4.36Å; M81-V89 HydrophobicContact SD-CB 4.32Å; M81-V89 HydrophobicContact SD-CG2 3.82Å; M81-F111 HydrophobicContact CE-CD1 4.15Å; M81-F111 HydrophobicContact CE-CG 4.43Å; M81-V112 PolarHBondContact N-O 2.87Å; M81-V114 WeakPolarHBondContact O-CG2 3.24Å; M81-V114 PolarHBondContact O-N 3.44Å
82P98.7Very high97Very high3 Ų362.4 Ų62.42%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-44.6128.6171.5-30.430.7000111.6I51 S52 H84 L85 V140I51-P82 VanDerWaalsContact O-CD 3.26Å; I51-P82 WeakPolarHBondContact O-CD 3.34Å; S52-P82 WeakPolarHBondContact O-CG 3.26Å; P82-H84 PolarHBondContact O-N 2.84Å; P82-L85 HydrophobicContact CB-CD1 4.07Å; P82-L85 HydrophobicContact CB-CG 4.18Å; P82-L85 HydrophobicContact CG-CD1 3.95Å; P82-L85 WeakPolarHBondContact O-CB 2.78Å; P82-L85 PolarHBondContact O-N 3.25Å; P82-V140 HydrophobicContact CG-CG1 4.39Å; P82-V140 HydrophobicContact CG-CG2 3.89Å
83K98.4Very high97.1Very high109 Ų10958.7 Ų58.747%0.47429%0.285SS..THydrogen-bonded Turntrans-47.2-38.3-172.3179.8174.1-175.4178.20114.9M81 L85 V86 P113 V114 E115M81-K83 PolarHBondContact O-N 2.84Å; K83-L85 VanDerWaalsContact C-N 3.26Å; K83-L85 PolarHBondContact O-N 3.15Å; K83-V86 PolarHBondContact O-N 2.62Å; K83-P113 HydrophobicContact CB-CB 3.83Å; K83-P113 HydrophobicContact CG-CB 3.77Å; K83-V114 PolarHBondContact N-O 3.38Å; K83-V114 VanDerWaalsContact N-O 3.16Å; K83-E115 HydrophobicContact CB-CG 4.32Å; K83-E115 HydrophobicContact CD-CG 4.06Å; K83-E115 WeakPolarHBondContact CD-OE2 3.4Å; K83-E115 IonicContact NZ-OE1 3.59Å; K83-E115 IonicContact NZ-OE2 2.79Å; K83-E115 PolarHBondContact NZ-OE2 2.82Å
84H98.2Very high97.1Very high78 Ų7856 Ų5636%0.36127%0.271SS..THydrogen-bonded Turntrans-66.7-22.1179.874-83.6000113.9P82 P87 H88P82-H84 PolarHBondContact O-N 2.84Å; H84-P87 WeakPolarHBondContact O-CD 3.43Å; H84-P87 WeakPolarHBondContact O-CG 3.49Å; H84-H88 PolarHBondContact O-CD2 3.02Å
85L98.5Very high97.1Very high13 Ų1355.9 Ų55.97%0.06828%0.278CS..Hα-helixtrans-77.4-26.6179.8-62.1178.3000113.1I51 I59 M81 P82 K83 H88 V89I51-L85 HydrophobicContact CG2-CD1 4.35Å; I59-L85 HydrophobicContact CD1-CD1 4.21Å; M81-L85 HydrophobicContact CB-CD1 4.47Å; M81-L85 HydrophobicContact CG-CB 4.27Å; M81-L85 HydrophobicContact SD-CB 4.06Å; P82-L85 HydrophobicContact CB-CD1 4.07Å; P82-L85 HydrophobicContact CB-CG 4.18Å; P82-L85 HydrophobicContact CG-CD1 3.95Å; P82-L85 WeakPolarHBondContact O-CB 2.78Å; P82-L85 PolarHBondContact O-N 3.25Å; K83-L85 VanDerWaalsContact C-N 3.26Å; K83-L85 PolarHBondContact O-N 3.15Å; L85-H88 WeakPolarHBondContact O-CB 3.49Å; L85-H88 PolarHBondContact O-N 3.07Å; L85-V89 PolarHBondContact O-N 2.94Å
86V98.2Very high97.3Very high17 Ų1752.8 Ų52.810%0.10327%0.268CS..Hα-helixtrans-52.1-50.8-176.7177.70000113.4M81 K83 H88 V89 K90 F111 P113M81-V86 HydrophobicContact CG-CG2 3.83Å; M81-V86 HydrophobicContact SD-CG2 3.93Å; K83-V86 PolarHBondContact O-N 2.62Å; V86-H88 VanDerWaalsContact C-N 3.31Å; V86-H88 PolarHBondContact O-N 2.72Å; V86-V89 PolarHBondContact O-N 2.89Å; V86-K90 HydrophobicContact CG1-CD 4.35Å; V86-K90 WeakPolarHBondContact O-CG 3.35Å; V86-K90 PolarHBondContact O-N 2.71Å; V86-F111 HydrophobicContact CG1-CB 4.25Å; V86-F111 HydrophobicContact CG1-CD2 4.32Å; V86-P113 HydrophobicContact CG2-CB 3.99Å
87P97.7Very high97.2Very high76 Ų7645.1 Ų45.149%0.49424%0.241SC..Hα-helixtrans-62.3-35.5177.323.5-34.5000113.2H84 K90 A91H84-P87 WeakPolarHBondContact O-CD 3.43Å; H84-P87 WeakPolarHBondContact O-CG 3.49Å; P87-K90 PolarHBondContact O-N 3.07Å; P87-A91 PolarHBondContact O-N 3.2Å
88H97.9Very high97.1Very high122 Ų12248.4 Ų48.457%0.56527%0.268SS*.Hα-helixtrans-69.5-42.3178.7-61.3-59.7000112.2H84 L85 V86 K90 A91 I92H84-H88 PolarHBondContact O-CD2 3.02Å; L85-H88 WeakPolarHBondContact O-CB 3.49Å; L85-H88 PolarHBondContact O-N 3.07Å; V86-H88 VanDerWaalsContact C-N 3.31Å; V86-H88 PolarHBondContact O-N 2.72Å; H88-K90 VanDerWaalsContact C-N 3.34Å; H88-K90 PolarHBondContact O-N 2.84Å; H88-A91 PolarHBondContact O-N 3.07Å; H88-I92 WeakPolarHBondContact O-CG1 3.21Å; H88-I92 PolarHBondContact O-N 3Å
89V97.6Very high97Very high2 Ų253.5 Ų53.51%0.01229%0.291CS..Hα-helixtrans-63.4-41.4175.3174.30000110.9I59 I62 M66 M81 L85 V86 A91 I92 C93 F111I59-V89 HydrophobicContact CD1-CG2 3.7Å; I62-V89 HydrophobicContact CD1-CG1 3.91Å; I62-V89 HydrophobicContact CD1-CG2 4.17Å; I62-V89 HydrophobicContact CG1-CG1 4.26Å; I62-V89 HydrophobicContact CG2-CG1 4.17Å; M66-V89 HydrophobicContact CE-CG1 4.43Å; M81-V89 HydrophobicContact CE-CG2 4.36Å; M81-V89 HydrophobicContact SD-CB 4.32Å; M81-V89 HydrophobicContact SD-CG2 3.82Å; L85-V89 PolarHBondContact O-N 2.94Å; V86-V89 PolarHBondContact O-N 2.89Å; V89-A91 PolarHBondContact O-N 3.27Å; V89-I92 PolarHBondContact O-N 3.25Å; V89-C93 PolarHBondContact O-N 2.92Å; V89-C93 PolarHBondContact O-SG 2.79Å; V89-C93 VanDerWaalsContact O-SG 3.34Å; V89-F111 HydrophobicContact CG1-CE1 4.41Å; V89-F111 HydrophobicContact CG1-CE2 4.14Å; V89-F111 HydrophobicContact CG1-CZ 3.91Å
90K96.4Very high96.7Very high109 Ų10956.1 Ų56.147%0.47431%0.309SS..Hα-helixtrans-58.1-48173.5-74.4178.5177.2-175.30111.5V86 P87 H88 I92 C93 D94 F111V86-K90 HydrophobicContact CG1-CD 4.35Å; V86-K90 WeakPolarHBondContact O-CG 3.35Å; V86-K90 PolarHBondContact O-N 2.71Å; P87-K90 PolarHBondContact O-N 3.07Å; H88-K90 VanDerWaalsContact C-N 3.34Å; H88-K90 PolarHBondContact O-N 2.84Å; K90-I92 VanDerWaalsContact C-N 3.3Å; K90-I92 PolarHBondContact O-N 3.49Å; K90-C93 WeakPolarHBondContact O-CB 3.36Å; K90-C93 PolarHBondContact O-N 3.08Å; K90-C93 VanDerWaalsContact O-N 3.1Å; K90-D94 VanDerWaalsContact O-CG 3.23Å; K90-D94 PolarHBondContact O-N 3.48Å; K90-F111 HydrophobicContact CG-CD2 4.01Å; K90-F111 HydrophobicContact CG-CE2 3.8Å
91A96.4Very high96.5Very high55 Ų5564.5 Ų64.546%0.45535%0.349SS..Hα-helixtrans-60.1-37.1177.700000113P87 H88 V89 D94 A95P87-A91 PolarHBondContact O-N 3.2Å; H88-A91 PolarHBondContact O-N 3.07Å; V89-A91 PolarHBondContact O-N 3.27Å; A91-D94 PolarHBondContact O-N 3.19Å; A91-A95 VanDerWaalsContact O-CB 3.32Å; A91-A95 WeakPolarHBondContact O-CB 3.33Å; A91-A95 PolarHBondContact O-N 2.81Å
92I96.2Very high96.1Very high78 Ų7868.8 Ų68.840%0.437%0.368SS..Hα-helixtrans-63.7-46.3173.6-69.9166.4000110.8A63 H88 V89 K90 D94 A95 F96A63-I92 HydrophobicContact CB-CG2 4.41Å; H88-I92 WeakPolarHBondContact O-CG1 3.21Å; H88-I92 PolarHBondContact O-N 3Å; V89-I92 PolarHBondContact O-N 3.25Å; K90-I92 VanDerWaalsContact C-N 3.3Å; K90-I92 PolarHBondContact O-N 3.49Å; I92-D94 VanDerWaalsContact C-N 3.33Å; I92-D94 PolarHBondContact O-N 3.25Å; I92-A95 PolarHBondContact O-N 2.94Å; I92-F96 HydrophobicContact CG2-CD2 3.74Å; I92-F96 HydrophobicContact CG2-CE2 3.62Å; I92-F96 VanDerWaalsContact O-CD2 3.28Å; I92-F96 WeakPolarHBondContact O-CD2 3.27Å; I92-F96 PolarHBondContact O-N 3.22Å
93C95.7Very high95.5Very high5 Ų573.5 Ų73.53%0.03441%0.407CS..Hα-helixtrans-61.2-41.7176.6-67.90000111.9V89 K90 F96 T97 F107V89-C93 PolarHBondContact O-N 2.92Å; V89-C93 PolarHBondContact O-SG 2.79Å; V89-C93 VanDerWaalsContact O-SG 3.34Å; K90-C93 WeakPolarHBondContact O-CB 3.36Å; K90-C93 PolarHBondContact O-N 3.08Å; K90-C93 VanDerWaalsContact O-N 3.1Å; C93-F96 PolarHBondContact O-N 2.78Å; C93-T97 WeakPolarHBondContact O-CB 3.47Å; C93-T97 PolarHBondContact O-N 3Å; C93-T97 PolarHBondContact O-OG1 2.8Å; C93-F107 HydrophobicContact CB-CB 3.7Å; C93-F107 HydrophobicContact CB-CD2 4.14Å; C93-F107 HydrophobicContact CB-CG 3.99Å; C93-F107 WeakPolarHBondContact O-CD2 3.44Å; C93-F107 VanDerWaalsContact SG-CB 3.54Å
94D94.5Very high95Very high100 Ų10074.8 Ų74.854%0.53542%0.419SS..Hα-helixtrans-65.4-41.9177.1-64.3-20.9000110.9K90 A91 I92 T97 A98K90-D94 VanDerWaalsContact O-CG 3.23Å; K90-D94 PolarHBondContact O-N 3.48Å; A91-D94 PolarHBondContact O-N 3.19Å; I92-D94 VanDerWaalsContact C-N 3.33Å; I92-D94 PolarHBondContact O-N 3.25Å; D94-T97 WeakPolarHBondContact O-CB 3.24Å; D94-T97 PolarHBondContact O-N 2.85Å; D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 2.75Å
95A95.9Very high94.4Very high51 Ų5173.4 Ų73.442%0.42142%0.418SS..Hα-helixtrans-61.4-44.9175.300000112.1A91 I92 T97 A98 M99A91-A95 VanDerWaalsContact O-CB 3.32Å; A91-A95 WeakPolarHBondContact O-CB 3.33Å; A91-A95 PolarHBondContact O-N 2.81Å; I92-A95 PolarHBondContact O-N 2.94Å; A95-T97 VanDerWaalsContact C-N 3.33Å; A95-T97 PolarHBondContact O-N 3.2Å; A95-A98 PolarHBondContact O-N 3.08Å; A95-M99 WeakPolarHBondContact O-CG 3.15Å; A95-M99 PolarHBondContact O-N 3.47Å
96F95.8Very high93.5Very high83 Ų8374.1 Ų74.136%0.36442%0.421SS..Hα-helixtrans-64.4-37.7173.8-81.9-65.4000112.7A63 I92 C93 M99 S100 F107A63-F96 HydrophobicContact CB-CD2 3.76Å; A63-F96 HydrophobicContact CB-CE2 3.79Å; I92-F96 HydrophobicContact CG2-CD2 3.74Å; I92-F96 HydrophobicContact CG2-CE2 3.62Å; I92-F96 VanDerWaalsContact O-CD2 3.28Å; I92-F96 WeakPolarHBondContact O-CD2 3.27Å; I92-F96 PolarHBondContact O-N 3.22Å; C93-F96 PolarHBondContact O-N 2.78Å; F96-M99 HydrophobicContact CB-CE 4.47Å; F96-M99 HydrophobicContact CD1-CE 3.42Å; F96-M99 VanDerWaalsContact CD1-CE 3.42Å; F96-M99 HydrophobicContact CE1-CE 3.8Å; F96-M99 HydrophobicContact CG-CE 4.04Å; F96-M99 PolarHBondContact O-N 3.25Å; F96-S100 WeakPolarHBondContact O-CB 3.35Å; F96-S100 PolarHBondContact O-N 3.31Å; F96-S100 PolarHBondContact O-OG 3.05Å; F96-F107 HydrophobicContact CB-CD2 4.24Å; F96-F107 HydrophobicContact CB-CE1 4.23Å; F96-F107 HydrophobicContact CB-CE2 3.27Å; F96-F107 HydrophobicContact CB-CZ 3.27Å; F96-F107 HydrophobicContact CD2-CZ 4.3Å; F96-F107 HydrophobicContact CG-CE1 4.47Å; F96-F107 HydrophobicContact CG-CE2 4.31Å; F96-F107 AromaticContact CG-CZ 3.86Å; F96-F107 HydrophobicContact CG-CZ 3.86Å
97T94.3Very high93Very high11 Ų1174.6 Ų74.67%0.06742%0.422CS..Hα-helixtrans-60.5-48.6176.5-57.60000110.3C93 D94 A95 S100 E101 K102 S105C93-T97 WeakPolarHBondContact O-CB 3.47Å; C93-T97 PolarHBondContact O-N 3Å; C93-T97 PolarHBondContact O-OG1 2.8Å; D94-T97 WeakPolarHBondContact O-CB 3.24Å; D94-T97 PolarHBondContact O-N 2.85Å; A95-T97 VanDerWaalsContact C-N 3.33Å; A95-T97 PolarHBondContact O-N 3.2Å; T97-S100 CarbonylContact O-C 3.57Å; T97-S100 PolarHBondContact O-N 3.41Å; T97-S100 VanDerWaalsContact O-N 3.16Å; T97-S100 PolarHBondContact O-OG 2.83Å; T97-E101 PolarHBondContact O-N 3.28Å; T97-K102 HydrophobicContact CG2-CB 4.1Å; T97-K102 PolarHBondContact O-N 2.81Å; T97-S105 WeakPolarHBondContact OG1-CA 3.44Å; T97-S105 VanDerWaalsContact OG1-CB 3.28Å; T97-S105 WeakPolarHBondContact OG1-CB 3.35Å; T97-S105 PolarHBondContact OG1-OG 2.82Å
98A94.8Very high92.3Very high70 Ų7073 Ų7358%0.57941%0.411SS*.Hα-helixtrans-61.3-46.5176.800000112.5D94 A95 S100 E101D94-A98 WeakPolarHBondContact O-CB 3.42Å; D94-A98 PolarHBondContact O-N 2.75Å; A95-A98 PolarHBondContact O-N 3.08Å; A98-S100 PolarHBondContact O-N 3.45Å; A98-E101 PolarHBondContact O-N 3.29Å
99M95.4Very high91.9Very high135 Ų13568.3 Ų68.367%0.66540%0.396SS*.Hα-helixtrans-62.3-27.1175.8-72.8-171.1-61.700113.1A95 F96 E101A95-M99 WeakPolarHBondContact O-CG 3.15Å; A95-M99 PolarHBondContact O-N 3.47Å; F96-M99 HydrophobicContact CB-CE 4.47Å; F96-M99 HydrophobicContact CD1-CE 3.42Å; F96-M99 VanDerWaalsContact CD1-CE 3.42Å; F96-M99 HydrophobicContact CE1-CE 3.8Å; F96-M99 HydrophobicContact CG-CE 4.04Å; F96-M99 PolarHBondContact O-N 3.25Å; M99-E101 VanDerWaalsContact C-N 3.31Å
100S93.5Very high91.8Very high54 Ų5471.7 Ų71.738%0.37842%0.416SS..THydrogen-bonded Turntrans-872.8175.973.20000114.2F96 T97 A98 K102F96-S100 WeakPolarHBondContact O-CB 3.35Å; F96-S100 PolarHBondContact O-N 3.31Å; F96-S100 PolarHBondContact O-OG 3.05Å; T97-S100 CarbonylContact O-C 3.57Å; T97-S100 PolarHBondContact O-N 3.41Å; T97-S100 VanDerWaalsContact O-N 3.16Å; T97-S100 PolarHBondContact O-OG 2.83Å; A98-S100 PolarHBondContact O-N 3.45Å; S100-K102 PolarHBondContact O-N 3.24Å; S100-K102 WeakPolarHBondContact OG-CG 3.2Å
101E94.6Very high91.9Very high184 Ų18468.5 Ų68.586%0.8640%0.402SS*.THydrogen-bonded Turntrans54.534.4-179.7-58.5-178.8174.900113.6T97 A98 M99T97-E101 PolarHBondContact O-N 3.28Å; A98-E101 PolarHBondContact O-N 3.29Å; M99-E101 VanDerWaalsContact C-N 3.31Å
102K90Very high92Very high90 Ų9067.1 Ų67.139%0.39139%0.388SS..  trans-96.6143.1178-69.2-176.1178.3-168.60111.6T97 S100 D104 D106T97-K102 HydrophobicContact CG2-CB 4.1Å; T97-K102 PolarHBondContact O-N 2.81Å; S100-K102 PolarHBondContact O-N 3.24Å; S100-K102 WeakPolarHBondContact OG-CG 3.2Å; K102-D104 WeakPolarHBondContact CB-O 3.31Å; K102-D106 IonicContact NZ-OD2 2.69Å; K102-D106 PolarHBondContact NZ-OD2 2.67Å
103A86.1Confident92.1Very high102 Ų10266.2 Ų66.284%0.84339%0.388SS*.SBendtrans-69.6-37.7170.600000111.9
104D86.8Confident92.3Very high136 Ų13666.1 Ų66.173%0.72739%0.387SS*.SBendtrans-118.8141.5-178.4-62.5-50.5000111.5K102 D106K102-D104 WeakPolarHBondContact CB-O 3.31Å; D104-D106 PolarHBondContact O-N 2.9Å
105S85.4Confident92.4Very high48 Ų4865.6 Ų65.634%0.33638%0.381SS..  trans-68.9128.1175.7-178.80000111.4T97 F107T97-S105 WeakPolarHBondContact OG1-CA 3.44Å; T97-S105 VanDerWaalsContact OG1-CB 3.28Å; T97-S105 WeakPolarHBondContact OG1-CB 3.35Å; T97-S105 PolarHBondContact OG1-OG 2.82Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 WeakPolarHBondContact OG-CB 3.38Å; S105-F107 WeakPolarHBondContact OG-CD2 3.37Å; S105-F107 PolarHBondContact OG-N 3.15Å
106D79.9Confident92.5Very high28 Ų2866.4 Ų66.415%0.1538%0.382CS..  trans-90.65.2167.866.1-3.5000112.8K67 K102 D104 V108K67-D106 WeakPolarHBondContact CE-OD2 3.41Å; K67-D106 IonicContact NZ-OD2 2.66Å; K67-D106 PolarHBondContact NZ-OD2 3.03Å; K102-D106 IonicContact NZ-OD2 2.69Å; K102-D106 PolarHBondContact NZ-OD2 2.67Å; D104-D106 PolarHBondContact O-N 2.9Å; D106-V108 VanDerWaalsContact C-N 3.3Å; D106-V108 PolarHBondContact O-N 3.1Å
107F88.5Confident92.5Very high27 Ų2765.6 Ų65.612%0.11840%0.397CS..  trans-83.278.3173.7-59.1-77.8000110.2A63 M66 K67 C93 F96 S105A63-F107 HydrophobicContact CB-CD1 3.68Å; A63-F107 HydrophobicContact CB-CE1 3.67Å; A63-F107 WeakPolarHBondContact O-CD1 3.35Å; A63-F107 WeakPolarHBondContact O-CE1 3.43Å; M66-F107 HydrophobicContact CB-CD1 4.46Å; M66-F107 HydrophobicContact SD-CB 3.93Å; K67-F107 HydrophobicContact CB-CE1 4.34Å; C93-F107 HydrophobicContact CB-CB 3.7Å; C93-F107 HydrophobicContact CB-CD2 4.14Å; C93-F107 HydrophobicContact CB-CG 3.99Å; C93-F107 WeakPolarHBondContact O-CD2 3.44Å; C93-F107 VanDerWaalsContact SG-CB 3.54Å; F96-F107 HydrophobicContact CB-CD2 4.24Å; F96-F107 HydrophobicContact CB-CE1 4.23Å; F96-F107 HydrophobicContact CB-CE2 3.27Å; F96-F107 HydrophobicContact CB-CZ 3.27Å; F96-F107 HydrophobicContact CD2-CZ 4.3Å; F96-F107 HydrophobicContact CG-CE1 4.47Å; F96-F107 HydrophobicContact CG-CE2 4.31Å; F96-F107 AromaticContact CG-CZ 3.86Å; F96-F107 HydrophobicContact CG-CZ 3.86Å; S105-F107 VanDerWaalsContact C-N 3.3Å; S105-F107 WeakPolarHBondContact OG-CB 3.38Å; S105-F107 WeakPolarHBondContact OG-CD2 3.37Å; S105-F107 PolarHBondContact OG-N 3.15Å
108V83.3Confident92.7Very high43 Ų4367.7 Ų67.726%0.26141%0.408SS..  trans-99.6120.2-170.4-174.50000111.1R76 D106R76-V108 HydrophobicContact CG-CG1 3.58Å; D106-V108 VanDerWaalsContact C-N 3.3Å; D106-V108 PolarHBondContact O-N 3.1Å
109G89.1Confident92.9Very high23 Ų2368.8 Ų68.824%0.23740%0.4CS..  trans-162.5162.5176.700000112.5
110T96.2Very high93Very high73 Ų7364.7 Ų64.745%0.44838%0.377SS..EExtended strand (participates in β ladder)trans-96.3113.1169.9-58.10000108.4A77 T78 Y79 V112A77-T110 PolarHBondContact O-N 3.17Å; T78-T110 CarbonylContact C-O 3.55Å; T78-T110 WeakPolarHBondContact CA-O 3.25Å; T78-T110 HydrophobicContact CG2-CG2 4.27Å; Y79-T110 PolarHBondContact N-O 2.99Å; T110-V112 HydrophobicContact CG2-CG2 4.31Å
111F97.6Very high93.2Very high42 Ų4267 Ų6718%0.18438%0.382CS..EExtended strand (participates in β ladder)trans-91121176.5-56.2-24.4000110M66 Y79 M81 V86 V89 K90M66-F111 HydrophobicContact CE-CE1 3.38Å; M66-F111 HydrophobicContact CE-CZ 3.59Å; M66-F111 HydrophobicContact SD-CE1 4.08Å; M66-F111 HydrophobicContact SD-CZ 4.04Å; Y79-F111 AromaticContact CD2-CD1 3.96Å; Y79-F111 HydrophobicContact CD2-CD1 3.96Å; Y79-F111 AromaticContact CD2-CE1 3.91Å; Y79-F111 HydrophobicContact CD2-CE1 3.91Å; Y79-F111 HydrophobicContact CE2-CE1 4.48Å; Y79-F111 HydrophobicContact CG-CD1 4.29Å; Y79-F111 HydrophobicContact CG-CE1 4.36Å; M81-F111 HydrophobicContact CE-CD1 4.15Å; M81-F111 HydrophobicContact CE-CG 4.43Å; V86-F111 HydrophobicContact CG1-CB 4.25Å; V86-F111 HydrophobicContact CG1-CD2 4.32Å; V89-F111 HydrophobicContact CG1-CE1 4.41Å; V89-F111 HydrophobicContact CG1-CE2 4.14Å; V89-F111 HydrophobicContact CG1-CZ 3.91Å; K90-F111 HydrophobicContact CG-CD2 4.01Å; K90-F111 HydrophobicContact CG-CE2 3.8Å
112V98.4Very high93.3Very high26 Ų2659.3 Ų59.316%0.15835%0.346CS..EExtended strand (participates in β ladder)trans-108.2105.1176.4-178.70000107.6T78 Y79 F80 M81 T110 V114 Y120T78-V112 HydrophobicContact CG2-CG2 3.51Å; Y79-V112 PolarHBondContact O-N 2.81Å; F80-V112 WeakPolarHBondContact CA-O 3.4Å; F80-V112 HydrophobicContact CD1-CB 3.72Å; F80-V112 HydrophobicContact CD1-CG1 3.67Å; F80-V112 HydrophobicContact CD1-CG2 4.31Å; F80-V112 HydrophobicContact CE1-CB 3.94Å; F80-V112 HydrophobicContact CE1-CG1 3.77Å; F80-V112 HydrophobicContact CE1-CG2 4.06Å; F80-V112 HydrophobicContact CG-CB 4.33Å; F80-V112 HydrophobicContact CZ-CG2 4.45Å; M81-V112 PolarHBondContact N-O 2.87Å; T110-V112 HydrophobicContact CG2-CG2 4.31Å; V112-V114 HydrophobicContact CG1-CG1 4.3Å; V112-V114 PolarHBondContact O-N 2.74Å; V112-Y120 HydrophobicContact CG1-CD1 3.8Å; V112-Y120 HydrophobicContact CG1-CE1 3.47Å; V112-Y120 VanDerWaalsContact CG1-CE1 3.47Å
113P98.6Very high93.5Very high59 Ų5956.8 Ų56.838%0.38334%0.34SS..EExtended strand (participates in β ladder)trans-66.3127.1172.626.2-30.7000109.1K83 V86 Y120K83-P113 HydrophobicContact CB-CB 3.83Å; K83-P113 HydrophobicContact CG-CB 3.77Å; V86-P113 HydrophobicContact CG2-CB 3.99Å; P113-Y120 PolarHBondContact O-OH 3.34Å
114V98.7Very high93.8Very high3 Ų359 Ų592%0.01834%0.338CS..EExtended strand (participates in β ladder)trans-113150.8178.7-50.70000113.1F80 M81 K83 V112 Y120 V130 V140 Y142F80-V114 HydrophobicContact CB-CG1 3.92Å; F80-V114 HydrophobicContact CD1-CG1 3.92Å; F80-V114 HydrophobicContact CG-CG1 4.44Å; M81-V114 WeakPolarHBondContact O-CG2 3.24Å; M81-V114 PolarHBondContact O-N 3.44Å; K83-V114 PolarHBondContact N-O 3.38Å; K83-V114 VanDerWaalsContact N-O 3.16Å; V112-V114 HydrophobicContact CG1-CG1 4.3Å; V112-V114 PolarHBondContact O-N 2.74Å; V114-Y120 WeakPolarHBondContact CA-OH 3.24Å; V114-Y120 HydrophobicContact CB-CE2 4.09Å; V114-Y120 HydrophobicContact CG1-CD2 4.4Å; V114-Y120 HydrophobicContact CG1-CE2 3.59Å; V114-V130 HydrophobicContact CB-CG1 4.16Å; V114-V130 HydrophobicContact CB-CG2 3.93Å; V114-V130 HydrophobicContact CG1-CG2 4.13Å; V114-V130 HydrophobicContact CG2-CG1 3.78Å; V114-V130 HydrophobicContact CG2-CG2 4.21Å; V114-V140 HydrophobicContact CG2-CG2 4.07Å; V114-Y142 HydrophobicContact CG2-CE1 4.18Å
115E98.2Very high94.2Very high89 Ų8957.1 Ų57.142%0.41633%0.328SS..  trans-133.3147.9171.7-59.3179.894.300108.6K83 N118K83-E115 HydrophobicContact CB-CG 4.32Å; K83-E115 HydrophobicContact CD-CG 4.06Å; K83-E115 WeakPolarHBondContact CD-OE2 3.4Å; K83-E115 IonicContact NZ-OE1 3.59Å; K83-E115 IonicContact NZ-OE2 2.79Å; K83-E115 PolarHBondContact NZ-OE2 2.82Å; E115-N118 PolarHBondContact N-OD1 3.09Å; E115-N118 VanDerWaalsContact O-CB 3.25Å; E115-N118 WeakPolarHBondContact O-CB 3.36Å; E115-N118 PolarHBondContact O-N 3.11Å; E115-N118 VanDerWaalsContact O-N 3.15Å; E115-N118 PolarHBondContact O-OD1 2.79Å
116P97.6Very high94.8Very high69 Ų6955 Ų5545%0.44831%0.312SS..THydrogen-bonded Turntrans-51.2140.8175.4-29.436.6000113.2N118 V140P116-N118 VanDerWaalsContact C-N 3.29Å; P116-N118 PolarHBondContact O-N 3.28Å; P116-V140 HydrophobicContact CG-CG1 4.15Å
117G96.2Very high95.7Very high65 Ų6553.7 Ų53.767%0.6731%0.305SS*.THydrogen-bonded Turntrans84.2-9.3-175.400000114.6V130G117-V130 PolarHBondContact N-O 3.14Å
118N97.8Very high96.1Very high56 Ų5652.4 Ų52.430%0.29930%0.3SS..  trans-73.3143.2176.4-64.3174.2000111.7E115 P116 Y120 V129 V130E115-N118 PolarHBondContact N-OD1 3.09Å; E115-N118 VanDerWaalsContact O-CB 3.25Å; E115-N118 WeakPolarHBondContact O-CB 3.36Å; E115-N118 PolarHBondContact O-N 3.11Å; E115-N118 VanDerWaalsContact O-N 3.15Å; E115-N118 PolarHBondContact O-OD1 2.79Å; P116-N118 VanDerWaalsContact C-N 3.29Å; P116-N118 PolarHBondContact O-N 3.28Å; N118-Y120 HydrophobicContact CB-CD2 4.42Å; N118-Y120 HydrophobicContact CB-CE2 3.49Å; N118-Y120 VanDerWaalsContact CB-CE2 3.49Å; N118-Y120 WeakPolarHBondContact CB-OH 3.39Å; N118-Y120 PolarHBondContact OD1-OH 3.22Å; N118-V129 WeakPolarHBondContact O-CA 3.28Å; N118-V130 PolarHBondContact O-N 3.01Å
119K98.1Very high96.9Very high92 Ų9251.7 Ų51.740%0.430%0.296SS..EExtended strand (participates in β ladder)trans-115.9136.5172.7172.3168.3171.7153.40109.7E121 H127 V128 V129 E153K119-E121 VanDerWaalsContact CE-OE1 3.25Å; K119-E121 WeakPolarHBondContact CE-OE1 3.48Å; K119-H127 WeakPolarHBondContact CE-CD2 3.47Å; K119-H127 VanDerWaalsContact CE-CG 3.5Å; K119-H127 PolarHBondContact NZ-CD2 2.93Å; K119-H127 PolarHBondContact NZ-CE1 3.44Å; K119-H127 PolarHBondContact NZ-NE2 2.91Å; K119-H127 VanDerWaalsContact NZ-NE2 3.13Å; K119-V128 CarbonylContact C-O 3.58Å; K119-V128 VanDerWaalsContact CA-O 3.29Å; K119-V128 WeakPolarHBondContact CA-O 3.46Å; K119-V129 HydrophobicContact CB-CG2 4.33Å; K119-V129 HydrophobicContact CG-CG2 4.44Å; K119-E153 IonicContact NZ-OE1 3.38Å; K119-E153 PolarHBondContact NZ-OE1 2.89Å; K119-E153 IonicContact NZ-OE2 2.85Å; K119-E153 PolarHBondContact NZ-OE2 2.92Å
120Y98.5Very high97.3Very high49 Ų4950.6 Ų50.619%0.19229%0.285CS..EExtended strand (participates in β ladder)trans-132129.8177.3-55-89.6000110.9F80 V112 P113 V114 N118 H127 V128 V130F80-Y120 HydrophobicContact CD1-CD2 4.18Å; F80-Y120 HydrophobicContact CD1-CG 4.25Å; F80-Y120 HydrophobicContact CE1-CD1 4.2Å; F80-Y120 HydrophobicContact CE1-CD2 4.12Å; F80-Y120 AromaticContact CE1-CG 3.75Å; F80-Y120 HydrophobicContact CE1-CG 3.75Å; V112-Y120 HydrophobicContact CG1-CD1 3.8Å; V112-Y120 HydrophobicContact CG1-CE1 3.47Å; V112-Y120 VanDerWaalsContact CG1-CE1 3.47Å; P113-Y120 PolarHBondContact O-OH 3.34Å; V114-Y120 WeakPolarHBondContact CA-OH 3.24Å; V114-Y120 HydrophobicContact CB-CE2 4.09Å; V114-Y120 HydrophobicContact CG1-CD2 4.4Å; V114-Y120 HydrophobicContact CG1-CE2 3.59Å; N118-Y120 HydrophobicContact CB-CD2 4.42Å; N118-Y120 HydrophobicContact CB-CE2 3.49Å; N118-Y120 VanDerWaalsContact CB-CE2 3.49Å; N118-Y120 WeakPolarHBondContact CB-OH 3.39Å; N118-Y120 PolarHBondContact OD1-OH 3.22Å; Y120-H127 CarbonylContact O-C 3.29Å; Y120-H127 VanDerWaalsContact O-CA 3.25Å; Y120-H127 WeakPolarHBondContact O-CA 3.45Å; Y120-H127 WeakPolarHBondContact O-CB 3.47Å; Y120-V128 HydrophobicContact CD2-CG1 4.2Å; Y120-V128 PolarHBondContact N-O 2.97Å; Y120-V128 PolarHBondContact O-N 3.3Å; Y120-V130 HydrophobicContact CD2-CG2 4.26Å; Y120-V130 HydrophobicContact CE2-CG2 3.95Å
121E97.9Very high97.4Very high104 Ų10447.3 Ų47.349%0.48626%0.264SS..EExtended strand (participates in β ladder)trans-73.7130.4170.7-62.7-60.1141.800109.9K119 R147K119-E121 VanDerWaalsContact CE-OE1 3.25Å; K119-E121 WeakPolarHBondContact CE-OE1 3.48Å; E121-R147 VanDerWaalsContact CD-NH2 3.25Å; E121-R147 IonicContact OE1-CZ 3.75Å; E121-R147 IonicContact OE1-NH2 3.69Å; E121-R147 PolarHBondContact OE1-NH2 2.8Å; E121-R147 IonicContact OE2-CZ 3.9Å; E121-R147 VanDerWaalsContact OE2-CZ 3.26Å; E121-R147 IonicContact OE2-NH1 3.07Å; E121-R147 PolarHBondContact OE2-NH1 2.89Å; E121-R147 IonicContact OE2-NH2 2.79Å; E121-R147 PolarHBondContact OE2-NH2 2.78Å
122L96.9Very high97.4Very high21 Ų2147.4 Ų47.411%0.1127%0.27CS..EExtended strand (participates in β ladder)trans-101.4-34.4177.8-54.9-179.6000111.2F32 F50 F80 W126 V128 L144F32-L122 HydrophobicContact CD1-CD1 4.4Å; F32-L122 HydrophobicContact CE1-CD1 3.89Å; F50-L122 HydrophobicContact CE1-CD2 4.31Å; F50-L122 HydrophobicContact CZ-CD1 3.77Å; F50-L122 HydrophobicContact CZ-CD2 4.16Å; F80-L122 HydrophobicContact CE1-CD2 4.32Å; F80-L122 HydrophobicContact CE2-CD2 3.67Å; F80-L122 HydrophobicContact CZ-CD2 3.4Å; F80-L122 VanDerWaalsContact CZ-CD2 3.4Å; L122-W126 WeakPolarHBondContact CA-O 3.27Å; L122-W126 HydrophobicContact CB-CB 4.12Å; L122-W126 WeakPolarHBondContact CB-O 3.38Å; L122-W126 HydrophobicContact CD1-CB 4.41Å; L122-W126 PolarHBondContact N-O 3.4Å; L122-V128 HydrophobicContact CD1-CB 4.28Å; L122-V128 HydrophobicContact CD1-CG1 4.48Å; L122-V128 HydrophobicContact CD2-CG1 3.92Å; L122-V128 HydrophobicContact CG-CG1 4.31Å; L122-L144 HydrophobicContact CD1-CD2 4.3Å; L122-L144 HydrophobicContact CD1-CG 4.4Å
123S93.9Very high97.4Very high38 Ų3847 Ų4727%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-164.9175.6174.860.20000108.8Q30 D125 W126Q30-S123 PolarHBondContact NE2-OG 2.86Å; Q30-S123 VanDerWaalsContact NE2-OG 3.15Å; S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 VanDerWaalsContact O-N 3.11Å; S123-W126 PolarHBondContact N-O 3.24Å; S123-W126 VanDerWaalsContact N-O 3.08Å; S123-W126 PolarHBondContact O-N 3Å; S123-W126 VanDerWaalsContact O-N 3.09Å; S123-W126 PolarHBondContact OG-N 2.8Å
124D92.4Very high97.4Very high148 Ų14846.9 Ų46.979%0.79126%0.264SS*.THydrogen-bonded Turntrans-53.3-35.2175.5-61.6-19.7000112.3R147D124-R147 WeakPolarHBondContact O-CD 3.39Å; D124-R147 PolarHBondContact O-NH1 2.83Å
125D95Very high97.3Very high96 Ų9647.5 Ų47.551%0.51327%0.266SS..THydrogen-bonded Turntrans-92.8-8.7-176.7-59.7-37.2000114.2S123 S146 R147S123-D125 PolarHBondContact O-N 3.4Å; S123-D125 VanDerWaalsContact O-N 3.11Å; D125-S146 CarbonylContact O-C 3.53Å; D125-S146 VanDerWaalsContact O-CA 3.24Å; D125-S146 WeakPolarHBondContact O-CA 3.41Å; D125-R147 PolarHBondContact O-N 2.79Å
126W97.8Very high97.3Very high3 Ų346.2 Ų46.21%0.01127%0.267CS..EExtended strand (participates in β ladder)trans-142.2138.2-170.1-71.184.1000113.6K27 F32 L122 S123 L144 Y145 E156K27-W126 HydrophobicContact CB-CZ2 4.35Å; K27-W126 HydrophobicContact CD-CH2 3.97Å; K27-W126 HydrophobicContact CD-CZ2 4Å; K27-W126 HydrophobicContact CG-CZ2 4.2Å; F32-W126 HydrophobicContact CE2-CD2 4.25Å; F32-W126 HydrophobicContact CE2-CE3 4.17Å; F32-W126 HydrophobicContact CE2-CH2 4.06Å; F32-W126 HydrophobicContact CE2-CZ2 4.15Å; F32-W126 HydrophobicContact CE2-CZ3 4.07Å; F32-W126 AromaticContact CZ-CD2 3.66Å; F32-W126 HydrophobicContact CZ-CD2 3.66Å; F32-W126 AromaticContact CZ-CE2 3.96Å; F32-W126 AromaticContact CZ-CE3 3.78Å; F32-W126 HydrophobicContact CZ-CE3 3.78Å; F32-W126 HydrophobicContact CZ-CG 4.06Å; F32-W126 HydrophobicContact CZ-CH2 4.43Å; F32-W126 HydrophobicContact CZ-CZ2 4.34Å; F32-W126 HydrophobicContact CZ-CZ3 4.17Å; L122-W126 WeakPolarHBondContact CA-O 3.27Å; L122-W126 HydrophobicContact CB-CB 4.12Å; L122-W126 WeakPolarHBondContact CB-O 3.38Å; L122-W126 HydrophobicContact CD1-CB 4.41Å; L122-W126 PolarHBondContact N-O 3.4Å; S123-W126 PolarHBondContact N-O 3.24Å; S123-W126 VanDerWaalsContact N-O 3.08Å; S123-W126 PolarHBondContact O-N 3Å; S123-W126 VanDerWaalsContact O-N 3.09Å; S123-W126 PolarHBondContact OG-N 2.8Å; W126-L144 HydrophobicContact CE3-CB 4.23Å; W126-L144 HydrophobicContact CZ3-CB 4.1Å; W126-Y145 WeakPolarHBondContact CA-O 3.43Å; W126-E156 HydrophobicContact CH2-CB 3.8Å; W126-E156 HydrophobicContact CH2-CG 3.68Å; W126-E156 HydrophobicContact CZ3-CB 3.66Å; W126-E156 HydrophobicContact CZ3-CG 3.82Å
127H98.2Very high97.3Very high1 Ų146.1 Ų46.11%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-138.1167166.975.1-92.2000110.8K119 Y120 L144 Y145 R147 E153K119-H127 WeakPolarHBondContact CE-CD2 3.47Å; K119-H127 VanDerWaalsContact CE-CG 3.5Å; K119-H127 PolarHBondContact NZ-CD2 2.93Å; K119-H127 PolarHBondContact NZ-CE1 3.44Å; K119-H127 PolarHBondContact NZ-NE2 2.91Å; K119-H127 VanDerWaalsContact NZ-NE2 3.13Å; Y120-H127 CarbonylContact O-C 3.29Å; Y120-H127 VanDerWaalsContact O-CA 3.25Å; Y120-H127 WeakPolarHBondContact O-CA 3.45Å; Y120-H127 WeakPolarHBondContact O-CB 3.47Å; H127-L144 WeakPolarHBondContact O-CA 3.21Å; H127-Y145 AromaticContact CD2-CD2 3.88Å; H127-Y145 WeakPolarHBondContact CE1-CB 3.15Å; H127-Y145 AromaticContact CE1-CD2 3.83Å; H127-Y145 AromaticContact CE1-CG 3.51Å; H127-Y145 PolarHBondContact N-O 3.49Å; H127-Y145 VanDerWaalsContact N-O 3.1Å; H127-Y145 AromaticContact NE2-CD2 3.28Å; H127-Y145 VanDerWaalsContact NE2-CD2 3.28Å; H127-Y145 WeakPolarHBondContact NE2-CD2 3.36Å; H127-Y145 AromaticContact NE2-CE2 3.94Å; H127-Y145 AromaticContact NE2-CG 3.46Å; H127-Y145 PolarHBondContact O-N 3.29Å; H127-R147 PolarHBondContact ND1-NH2 2.83Å; H127-E153 IonicContact CE1-OE1 4Å; H127-E153 PolarHBondContact CE1-OE1 2.77Å; H127-E153 IonicContact CE1-OE2 3.32Å; H127-E153 PolarHBondContact CE1-OE2 3.02Å; H127-E153 VanDerWaalsContact CE1-OE2 3.22Å; H127-E153 IonicContact ND1-OE1 3.83Å; H127-E153 PolarHBondContact ND1-OE1 3.05Å; H127-E153 IonicContact NE2-OE1 3.67Å; H127-E153 IonicContact NE2-OE2 3.93Å
128V98.7Very high97.4Very high0 Ų047.4 Ų47.40%026%0.257CS..EExtended strand (participates in β ladder)trans-126142.5175.9620000110.4F50 F80 K119 Y120 L122 Y142 L143 L144F50-V128 HydrophobicContact CD1-CG2 4.31Å; F50-V128 HydrophobicContact CE1-CB 4.1Å; F50-V128 HydrophobicContact CE1-CG1 3.89Å; F50-V128 HydrophobicContact CE1-CG2 3.98Å; F80-V128 HydrophobicContact CE1-CG1 4.44Å; K119-V128 CarbonylContact C-O 3.58Å; K119-V128 VanDerWaalsContact CA-O 3.29Å; K119-V128 WeakPolarHBondContact CA-O 3.46Å; Y120-V128 HydrophobicContact CD2-CG1 4.2Å; Y120-V128 PolarHBondContact N-O 2.97Å; Y120-V128 PolarHBondContact O-N 3.3Å; L122-V128 HydrophobicContact CD1-CB 4.28Å; L122-V128 HydrophobicContact CD1-CG1 4.48Å; L122-V128 HydrophobicContact CD2-CG1 3.92Å; L122-V128 HydrophobicContact CG-CG1 4.31Å; V128-Y142 HydrophobicContact CG2-CD1 3.86Å; V128-Y142 HydrophobicContact CG2-CG 4.38Å; V128-L143 CarbonylContact C-O 3.55Å; V128-L143 WeakPolarHBondContact CA-O 3.37Å; V128-L144 HydrophobicContact CB-CD1 4.33Å; V128-L144 HydrophobicContact CB-CG 4.28Å; V128-L144 HydrophobicContact CG2-CD1 3.75Å; V128-L144 HydrophobicContact CG2-CG 4.24Å
129V98.6Very high97.4Very high28 Ų2845.1 Ų45.117%0.1725%0.246CC..EExtended strand (participates in β ladder)trans-112.7136.1168.4176.90000108.7N118 K119 Y142 L143 Y145N118-V129 WeakPolarHBondContact O-CA 3.28Å; K119-V129 HydrophobicContact CB-CG2 4.33Å; K119-V129 HydrophobicContact CG-CG2 4.44Å; V129-Y142 WeakPolarHBondContact O-CA 3.34Å; V129-L143 PolarHBondContact N-O 2.86Å; V129-L143 PolarHBondContact O-N 3.02Å; V129-Y145 HydrophobicContact CB-CE2 4.1Å; V129-Y145 HydrophobicContact CG2-CD2 4.2Å; V129-Y145 HydrophobicContact CG2-CE2 3.68Å
130V98.7Very high97.4Very high1 Ų140.9 Ų40.91%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-99.7138.5179.4-174.40000109.4V114 G117 N118 Y120 V140 G141 Y142V114-V130 HydrophobicContact CB-CG1 4.16Å; V114-V130 HydrophobicContact CB-CG2 3.93Å; V114-V130 HydrophobicContact CG1-CG2 4.13Å; V114-V130 HydrophobicContact CG2-CG1 3.78Å; V114-V130 HydrophobicContact CG2-CG2 4.21Å; G117-V130 PolarHBondContact N-O 3.14Å; N118-V130 PolarHBondContact O-N 3.01Å; Y120-V130 HydrophobicContact CD2-CG2 4.26Å; Y120-V130 HydrophobicContact CE2-CG2 3.95Å; V130-V140 HydrophobicContact CG1-CB 3.77Å; V130-V140 HydrophobicContact CG1-CG1 4.05Å; V130-V140 HydrophobicContact CG1-CG2 3.99Å; V130-G141 WeakPolarHBondContact CA-O 3.46Å; V130-Y142 HydrophobicContact CG1-CE1 4.36Å; V130-Y142 HydrophobicContact CG2-CD1 3.88Å; V130-Y142 HydrophobicContact CG2-CE1 3.83Å
131F98.3Very high97.4Very high3 Ų338.6 Ų38.61%0.01322%0.218CC..EExtended strand (participates in β ladder)trans-135.6156.6176.256.8-94000110.7T133 V140 G141 Y142 L143 L160 I167 C175 L178F131-T133 HydrophobicContact CD2-CG2 4.21Å; F131-T133 HydrophobicContact CE2-CG2 3.85Å; F131-V140 CarbonylContact O-C 3.52Å; F131-V140 VanDerWaalsContact O-CA 3.24Å; F131-V140 WeakPolarHBondContact O-CA 3.46Å; F131-V140 WeakPolarHBondContact O-CB 3.34Å; F131-G141 VanDerWaalsContact CE1-C 3.46Å; F131-G141 PolarHBondContact N-O 3.24Å; F131-G141 PolarHBondContact O-N 2.86Å; F131-Y142 VanDerWaalsContact CE1-C 3.46Å; F131-Y142 VanDerWaalsContact CE1-N 3.34Å; F131-L143 HydrophobicContact CD1-CB 4.41Å; F131-L143 HydrophobicContact CE1-CB 4.05Å; F131-L160 HydrophobicContact CE2-CD2 3.73Å; F131-L160 HydrophobicContact CZ-CD2 3.59Å; F131-I167 HydrophobicContact CD2-CD1 4.04Å; F131-I167 HydrophobicContact CE2-CD1 4.18Å; F131-I167 HydrophobicContact CE2-CG1 4.36Å; F131-C175 HydrophobicContact CB-CB 4.02Å; F131-C175 HydrophobicContact CD1-CB 4.05Å; F131-C175 HydrophobicContact CG-CB 4.08Å; F131-L178 HydrophobicContact CE1-CD1 3.78Å; F131-L178 HydrophobicContact CE2-CD1 4.29Å; F131-L178 HydrophobicContact CE2-CD2 4.34Å; F131-L178 HydrophobicContact CZ-CD1 3.58Å; F131-L178 HydrophobicContact CZ-CD2 4.43Å
132S97.9Very high97.5Very high45 Ų4533.6 Ų33.632%0.31520%0.195SC..EExtended strand (participates in β ladder)trans-74.9141.517650.80000111I167S132-I167 WeakPolarHBondContact O-CD1 3.42Å
133T98Very high97.6Very high18 Ų1832.6 Ų32.611%0.1119%0.19CC..  trans-110.9167.6171.446.30000110.1F131 S139 V140 L160F131-T133 HydrophobicContact CD2-CG2 4.21Å; F131-T133 HydrophobicContact CE2-CG2 3.85Å; T133-S139 PolarHBondContact N-O 3.47Å; T133-S139 WeakPolarHBondContact OG1-CB 3.34Å; T133-S139 PolarHBondContact OG1-O 2.97Å; T133-S139 PolarHBondContact OG1-OG 3.18Å; T133-V140 PolarHBondContact OG1-N 3.07Å; T133-L160 VanDerWaalsContact CG2-O 3.3Å; T133-L160 WeakPolarHBondContact CG2-O 3.35Å
134D97.7Very high97.8Very high56 Ų5630.8 Ų30.830%0.29918%0.177SC..  trans-10990.4-177.1-177.22.5000110.2S163 R164 T166D134-S163 PolarHBondContact N-OG 2.84Å; D134-S163 VanDerWaalsContact N-OG 3.11Å; D134-S163 CarbonylContact O-C 3.51Å; D134-S163 WeakPolarHBondContact O-CA 3.47Å; D134-S163 PolarHBondContact O-OG 2.81Å; D134-R164 HydrophobicContact CB-CB 4.19Å; D134-R164 WeakPolarHBondContact O-CG 3.36Å; D134-R164 PolarHBondContact O-N 3.41Å; D134-R164 IonicContact OD1-CZ 3.6Å; D134-R164 IonicContact OD1-NE 3.65Å; D134-R164 IonicContact OD1-NH1 2.69Å; D134-R164 PolarHBondContact OD1-NH1 2.8Å; D134-R164 WeakPolarHBondContact OD2-CD 3.49Å; D134-T166 VanDerWaalsContact CB-OG1 3.28Å; D134-T166 WeakPolarHBondContact CB-OG1 3.33Å; D134-T166 VanDerWaalsContact CG-OG1 3.29Å; D134-T166 WeakPolarHBondContact OD2-CB 3.22Å; D134-T166 PolarHBondContact OD2-OG1 3.21Å
135H98Very high98.1Very high15 Ų1524.5 Ų24.57%0.06914%0.143CC..SBendtrans-126.8-179-177.8-166.846000112.3H53 H55 I137 S139 D162 R164 G205 H206H53-H135 AromaticContact CD2-CD2 3.86Å; H53-H135 AromaticContact NE2-CD2 3.99Å; H53-H135 AromaticContact NE2-NE2 3.83Å; H55-H135 AromaticContact CE1-NE2 3.15Å; H55-H135 PolarHBondContact CE1-NE2 3.34Å; H55-H135 AromaticContact ND1-NE2 3.37Å; H55-H135 PolarHBondContact ND1-NE2 3.06Å; H135-I137 VanDerWaalsContact C-N 3.27Å; H135-I137 PolarHBondContact O-N 2.66Å; H135-S139 WeakPolarHBondContact CB-OG 3.28Å; H135-D162 WeakPolarHBondContact CB-O 3.17Å; H135-D162 IonicContact CE1-OD2 2.67Å; H135-R164 VanDerWaalsContact C-NH1 3.27Å; H135-R164 PolarHBondContact O-NH1 3.03Å; H135-G205 PolarHBondContact ND1-O 2.84Å; H135-H206 AromaticContact CE1-CE1 3.7Å
136S97.2Very high98.2Very high63 Ų6320.6 Ų20.644%0.44112%0.123SC..SBendtrans-69.9-22.4178.465.60000113.7
137I97.3Very high98.2Very high67 Ų6723 Ų2334%0.34413%0.132SC..SBendtrans-131.5172.5176.765.9166.1000110.4H53 H135 S139H53-I137 HydrophobicContact CB-CD1 4.21Å; H53-I137 HydrophobicContact CB-CG1 4.38Å; H135-I137 VanDerWaalsContact C-N 3.27Å; H135-I137 PolarHBondContact O-N 2.66Å; I137-S139 PolarHBondContact O-N 3.21Å; I137-S139 VanDerWaalsContact O-N 3.09Å; I137-S139 PolarHBondContact O-OG 2.95Å
138T98Very high97.9Very high91 Ų9125.7 Ų25.756%0.55815%0.146SC*.SBendtrans-53.1117.5172.7-55.90000110.6
139S98.7Very high97.6Very high8 Ų832.7 Ų32.76%0.05619%0.192CC..  trans-141.2152.5-17654.40000110.5S52 T133 H135 I137S52-S139 WeakPolarHBondContact O-CA 3.5Å; T133-S139 PolarHBondContact N-O 3.47Å; T133-S139 WeakPolarHBondContact OG1-CB 3.34Å; T133-S139 PolarHBondContact OG1-O 2.97Å; T133-S139 PolarHBondContact OG1-OG 3.18Å; H135-S139 WeakPolarHBondContact CB-OG 3.28Å; I137-S139 PolarHBondContact O-N 3.21Å; I137-S139 VanDerWaalsContact O-N 3.09Å; I137-S139 PolarHBondContact O-OG 2.95Å
140V98.7Very high97.4Very high4 Ų436 Ų362%0.02422%0.216CC..EExtended strand (participates in β ladder)trans-135152.9174.9-59.30000110.6S52 P82 V114 P116 V130 F131 T133 Y142S52-V140 VanDerWaalsContact CA-O 3.31Å; S52-V140 WeakPolarHBondContact CA-O 3.22Å; S52-V140 WeakPolarHBondContact CB-O 3.49Å; S52-V140 PolarHBondContact O-N 3.25Å; P82-V140 HydrophobicContact CG-CG1 4.39Å; P82-V140 HydrophobicContact CG-CG2 3.89Å; V114-V140 HydrophobicContact CG2-CG2 4.07Å; P116-V140 HydrophobicContact CG-CG1 4.15Å; V130-V140 HydrophobicContact CG1-CB 3.77Å; V130-V140 HydrophobicContact CG1-CG1 4.05Å; V130-V140 HydrophobicContact CG1-CG2 3.99Å; F131-V140 CarbonylContact O-C 3.52Å; F131-V140 VanDerWaalsContact O-CA 3.24Å; F131-V140 WeakPolarHBondContact O-CA 3.46Å; F131-V140 WeakPolarHBondContact O-CB 3.34Å; T133-V140 PolarHBondContact OG1-N 3.07Å; V140-Y142 HydrophobicContact CG2-CE1 4.44Å; V140-Y142 HydrophobicContact CG2-CE2 3.81Å; V140-Y142 WeakPolarHBondContact CG2-OH 3.38Å
141G98.7Very high97.2Very high0 Ų038.1 Ų38.10%024%0.238CC..EExtended strand (participates in β ladder)trans-109170.8165.400000111.8V130 F131 Y159V130-G141 WeakPolarHBondContact CA-O 3.46Å; F131-G141 VanDerWaalsContact CE1-C 3.46Å; F131-G141 PolarHBondContact N-O 3.24Å; F131-G141 PolarHBondContact O-N 2.86Å; G141-Y159 CarbonylContact C-O 3.55Å; G141-Y159 WeakPolarHBondContact CA-O 3.45Å
142Y98.9Very high97.1Very high0 Ų044.7 Ų44.70%027%0.267CS..EExtended strand (participates in β ladder)trans-133.7129.8-174.8-60.5-89.5000110.5F50 I51 F80 V114 V128 V129 V130 F131 V140 A158 Y159F50-Y142 HydrophobicContact CB-CD1 4.03Å; F50-Y142 HydrophobicContact CB-CD2 3.59Å; F50-Y142 HydrophobicContact CB-CE1 4.13Å; F50-Y142 HydrophobicContact CB-CE2 3.69Å; F50-Y142 HydrophobicContact CB-CG 3.75Å; F50-Y142 AromaticContact CD1-CD1 3.6Å; F50-Y142 HydrophobicContact CD1-CD1 3.6Å; F50-Y142 AromaticContact CD1-CE1 3.87Å; F50-Y142 HydrophobicContact CD1-CE1 3.87Å; F50-Y142 HydrophobicContact CD1-CG 4.02Å; F50-Y142 HydrophobicContact CG-CD1 4.13Å; F50-Y142 HydrophobicContact CG-CD2 4.43Å; F50-Y142 HydrophobicContact CG-CE1 4.46Å; F50-Y142 HydrophobicContact CG-CG 4.1Å; I51-Y142 VanDerWaalsContact O-CE2 3.31Å; I51-Y142 WeakPolarHBondContact O-CE2 3.3Å; I51-Y142 PolarHBondContact O-OH 3.09Å; F80-Y142 HydrophobicContact CB-CE1 3.96Å; F80-Y142 PolarHBondContact O-OH 2.57Å; V114-Y142 HydrophobicContact CG2-CE1 4.18Å; V128-Y142 HydrophobicContact CG2-CD1 3.86Å; V128-Y142 HydrophobicContact CG2-CG 4.38Å; V129-Y142 WeakPolarHBondContact O-CA 3.34Å; V130-Y142 HydrophobicContact CG1-CE1 4.36Å; V130-Y142 HydrophobicContact CG2-CD1 3.88Å; V130-Y142 HydrophobicContact CG2-CE1 3.83Å; F131-Y142 VanDerWaalsContact CE1-C 3.46Å; F131-Y142 VanDerWaalsContact CE1-N 3.34Å; V140-Y142 HydrophobicContact CG2-CE1 4.44Å; V140-Y142 HydrophobicContact CG2-CE2 3.81Å; V140-Y142 WeakPolarHBondContact CG2-OH 3.38Å; Y142-A158 CarbonylContact O-C 3.6Å; Y142-A158 WeakPolarHBondContact O-CA 3.45Å; Y142-Y159 HydrophobicContact CD2-CD1 4.41Å; Y142-Y159 PolarHBondContact N-O 2.85Å; Y142-Y159 PolarHBondContact O-N 3.1Å
143L98.8Very high97Very high0 Ų046.3 Ų46.30%027%0.269CS..EExtended strand (participates in β ladder)trans-113.2110.9170.5179.559.8000109V128 V129 F131 Y145 P155 I157 A158 C175 D177V128-L143 CarbonylContact C-O 3.55Å; V128-L143 WeakPolarHBondContact CA-O 3.37Å; V129-L143 PolarHBondContact N-O 2.86Å; V129-L143 PolarHBondContact O-N 3.02Å; F131-L143 HydrophobicContact CD1-CB 4.41Å; F131-L143 HydrophobicContact CE1-CB 4.05Å; L143-Y145 HydrophobicContact CB-CE2 4.17Å; L143-Y145 HydrophobicContact CD2-CE1 4.34Å; L143-Y145 HydrophobicContact CD2-CE2 3.57Å; L143-Y145 VanDerWaalsContact CD2-CZ 3.47Å; L143-Y145 VanDerWaalsContact CD2-OH 3.28Å; L143-Y145 WeakPolarHBondContact CD2-OH 3.38Å; L143-Y145 HydrophobicContact CG-CD2 4.11Å; L143-Y145 HydrophobicContact CG-CE2 3.53Å; L143-Y145 WeakPolarHBondContact O-CD2 3.47Å; L143-P155 HydrophobicContact CD1-CB 4.09Å; L143-P155 HydrophobicContact CD2-CB 4.32Å; L143-I157 WeakPolarHBondContact CA-O 3.42Å; L143-A158 HydrophobicContact CD1-CB 3.99Å; L143-C175 VanDerWaalsContact CD2-SG 3.53Å; L143-D177 HydrophobicContact CD2-CB 3.81Å
144L98.7Very high97Very high0 Ų046.6 Ų46.60%027%0.271CS..EExtended strand (participates in β ladder)trans-88.8134.7176-77.968.7000109.5F32 F34 F50 L122 W126 H127 V128 E156 I157F32-L144 HydrophobicContact CB-CD2 4.13Å; F32-L144 HydrophobicContact CD1-CD2 3.49Å; F32-L144 VanDerWaalsContact CD1-CD2 3.49Å; F32-L144 HydrophobicContact CD2-CD2 3.93Å; F32-L144 HydrophobicContact CE1-CD2 3.79Å; F32-L144 HydrophobicContact CE2-CD2 4.19Å; F32-L144 HydrophobicContact CG-CD2 3.57Å; F32-L144 HydrophobicContact CZ-CD2 4.12Å; F34-L144 HydrophobicContact CE1-CD1 3.67Å; F34-L144 HydrophobicContact CZ-CD1 3.81Å; F34-L144 HydrophobicContact CZ-CD2 4.06Å; F50-L144 HydrophobicContact CD2-CD1 4.36Å; F50-L144 HydrophobicContact CE2-CD1 4.07Å; F50-L144 HydrophobicContact CE2-CD2 3.88Å; F50-L144 HydrophobicContact CE2-CG 4.38Å; F50-L144 HydrophobicContact CZ-CD1 4.22Å; F50-L144 HydrophobicContact CZ-CD2 4.16Å; F50-L144 HydrophobicContact CZ-CG 4.35Å; L122-L144 HydrophobicContact CD1-CD2 4.3Å; L122-L144 HydrophobicContact CD1-CG 4.4Å; W126-L144 HydrophobicContact CE3-CB 4.23Å; W126-L144 HydrophobicContact CZ3-CB 4.1Å; H127-L144 WeakPolarHBondContact O-CA 3.21Å; V128-L144 HydrophobicContact CB-CD1 4.33Å; V128-L144 HydrophobicContact CB-CG 4.28Å; V128-L144 HydrophobicContact CG2-CD1 3.75Å; V128-L144 HydrophobicContact CG2-CG 4.24Å; L144-E156 WeakPolarHBondContact O-CB 3.42Å; L144-E156 PolarHBondContact O-N 3Å; L144-I157 HydrophobicContact CB-CB 4.27Å; L144-I157 HydrophobicContact CD2-CD1 4.38Å; L144-I157 PolarHBondContact N-O 3.14Å; L144-I157 PolarHBondContact O-N 3.48Å
145Y98.4Very high97Very high16 Ų1644.8 Ų44.86%0.06326%0.263CS..EExtended strand (participates in β ladder)trans-114.8138.5175.2-67.5-102.5000109.6W126 H127 V129 L143 E153 V154 P155 D177W126-Y145 WeakPolarHBondContact CA-O 3.43Å; H127-Y145 AromaticContact CD2-CD2 3.88Å; H127-Y145 WeakPolarHBondContact CE1-CB 3.15Å; H127-Y145 AromaticContact CE1-CD2 3.83Å; H127-Y145 AromaticContact CE1-CG 3.51Å; H127-Y145 PolarHBondContact N-O 3.49Å; H127-Y145 VanDerWaalsContact N-O 3.1Å; H127-Y145 AromaticContact NE2-CD2 3.28Å; H127-Y145 VanDerWaalsContact NE2-CD2 3.28Å; H127-Y145 WeakPolarHBondContact NE2-CD2 3.36Å; H127-Y145 AromaticContact NE2-CE2 3.94Å; H127-Y145 AromaticContact NE2-CG 3.46Å; H127-Y145 PolarHBondContact O-N 3.29Å; V129-Y145 HydrophobicContact CB-CE2 4.1Å; V129-Y145 HydrophobicContact CG2-CD2 4.2Å; V129-Y145 HydrophobicContact CG2-CE2 3.68Å; L143-Y145 HydrophobicContact CB-CE2 4.17Å; L143-Y145 HydrophobicContact CD2-CE1 4.34Å; L143-Y145 HydrophobicContact CD2-CE2 3.57Å; L143-Y145 VanDerWaalsContact CD2-CZ 3.47Å; L143-Y145 VanDerWaalsContact CD2-OH 3.28Å; L143-Y145 WeakPolarHBondContact CD2-OH 3.38Å; L143-Y145 HydrophobicContact CG-CD2 4.11Å; L143-Y145 HydrophobicContact CG-CE2 3.53Å; L143-Y145 WeakPolarHBondContact O-CD2 3.47Å; Y145-E153 HydrophobicContact CD1-CB 4.17Å; Y145-V154 CarbonylContact C-O 3.54Å; Y145-V154 WeakPolarHBondContact CA-O 3.48Å; Y145-P155 HydrophobicContact CD1-CB 4.11Å; Y145-P155 HydrophobicContact CE1-CB 3.88Å; Y145-D177 HydrophobicContact CE1-CB 4.16Å; Y145-D177 WeakPolarHBondContact CE1-OD2 3.25Å; Y145-D177 WeakPolarHBondContact OH-CB 3.49Å; Y145-D177 PolarHBondContact OH-OD2 3.04Å
146S97.7Very high97Very high13 Ų1344.1 Ų44.19%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-98.9162.8162.768.90000110.6D125 E153 V154 E156D125-S146 CarbonylContact O-C 3.53Å; D125-S146 VanDerWaalsContact O-CA 3.24Å; D125-S146 WeakPolarHBondContact O-CA 3.41Å; S146-E153 CarbonylContact O-C 3.56Å; S146-E153 WeakPolarHBondContact O-CA 2.9Å; S146-V154 PolarHBondContact N-O 3.2Å; S146-V154 PolarHBondContact O-N 2.53Å; S146-E156 VanDerWaalsContact OG-CG 3.25Å; S146-E156 WeakPolarHBondContact OG-CG 3.4Å; S146-E156 PolarHBondContact OG-OE1 2.76Å
147R96.7Very high97.1Very high55 Ų5541.1 Ų41.121%0.20824%0.238CC..EExtended strand (participates in β ladder)trans-107.1130.9168.2-64.1179.7-175.9103.44.5109.3E121 D124 D125 H127 K152 E153E121-R147 VanDerWaalsContact CD-NH2 3.25Å; E121-R147 IonicContact OE1-CZ 3.75Å; E121-R147 IonicContact OE1-NH2 3.69Å; E121-R147 PolarHBondContact OE1-NH2 2.8Å; E121-R147 IonicContact OE2-CZ 3.9Å; E121-R147 VanDerWaalsContact OE2-CZ 3.26Å; E121-R147 IonicContact OE2-NH1 3.07Å; E121-R147 PolarHBondContact OE2-NH1 2.89Å; E121-R147 IonicContact OE2-NH2 2.79Å; E121-R147 PolarHBondContact OE2-NH2 2.78Å; D124-R147 WeakPolarHBondContact O-CD 3.39Å; D124-R147 PolarHBondContact O-NH1 2.83Å; D125-R147 PolarHBondContact O-N 2.79Å; H127-R147 PolarHBondContact ND1-NH2 2.83Å; R147-K152 WeakPolarHBondContact CA-O 3.15Å; R147-E153 HydrophobicContact CG-CG 4.26Å; R147-E153 IonicContact CZ-OE1 3.8Å; R147-E153 IonicContact NE-OE1 2.62Å; R147-E153 IonicContact NH2-OE1 3.26Å; R147-E153 PolarHBondContact NH2-OE1 2.77Å
148D92.6Very high97.2Very high56 Ų5638 Ų3830%0.29922%0.222SC..  trans-75.4172.7170.777.913000111S150 G151 K152D148-S150 PolarHBondContact O-N 3.15Å; D148-S150 VanDerWaalsContact OD1-CA 3.29Å; D148-S150 WeakPolarHBondContact OD1-CA 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.91Å; D148-S150 PolarHBondContact OD1-OG 3.49Å; D148-S150 PolarHBondContact OD2-OG 2.69Å; D148-G151 WeakPolarHBondContact O-CA 3.2Å; D148-G151 PolarHBondContact O-N 2.83Å; D148-G151 PolarHBondContact OD1-N 3.29Å; D148-K152 PolarHBondContact N-O 3.43Å; D148-K152 PolarHBondContact OD1-N 3.1Å
149P91.7Very high97.2Very high148 Ų14833.6 Ų33.696%0.96120%0.195SC*.THydrogen-bonded Turntrans-59.3-16.2179.2-26.636.1000115.4G151P149-G151 VanDerWaalsContact C-N 3.35Å
150S94.4Very high97.2Very high97 Ų9733.4 Ų33.468%0.67819%0.194SC*.THydrogen-bonded Turntrans-88.9-1.9173.776.50000113.2D148 K152D148-S150 PolarHBondContact O-N 3.15Å; D148-S150 VanDerWaalsContact OD1-CA 3.29Å; D148-S150 WeakPolarHBondContact OD1-CA 3.23Å; D148-S150 WeakPolarHBondContact OD1-CB 3.43Å; D148-S150 PolarHBondContact OD1-N 2.91Å; D148-S150 PolarHBondContact OD1-OG 3.49Å; D148-S150 PolarHBondContact OD2-OG 2.69Å; S150-K152 VanDerWaalsContact C-N 3.31Å
151G94.4Very high97.2Very high46 Ų4633.2 Ų33.247%0.47419%0.192SC..  trans83.13.1-176.200000113.9D148 P149 E153D148-G151 WeakPolarHBondContact O-CA 3.2Å; D148-G151 PolarHBondContact O-N 2.83Å; D148-G151 PolarHBondContact OD1-N 3.29Å; P149-G151 VanDerWaalsContact C-N 3.35Å; G151-E153 PolarHBondContact O-N 3.15Å
152K96.1Very high97.2Very high141 Ų14133.4 Ų33.461%0.61319%0.193SC*.  trans-71.1129.2179.3-178.1-178.1176.1-178.30109.8R147 D148 S150R147-K152 WeakPolarHBondContact CA-O 3.15Å; D148-K152 PolarHBondContact N-O 3.43Å; D148-K152 PolarHBondContact OD1-N 3.1Å; S150-K152 VanDerWaalsContact C-N 3.31Å
153E97.2Very high97.2Very high78 Ų7833.5 Ų33.536%0.36419%0.194SC..EExtended strand (participates in β ladder)trans-73.6134.3176.7-59-172.9152.800110.3K119 H127 Y145 S146 R147 G151K119-E153 IonicContact NZ-OE1 3.38Å; K119-E153 PolarHBondContact NZ-OE1 2.89Å; K119-E153 IonicContact NZ-OE2 2.85Å; K119-E153 PolarHBondContact NZ-OE2 2.92Å; H127-E153 IonicContact CE1-OE1 4Å; H127-E153 PolarHBondContact CE1-OE1 2.77Å; H127-E153 IonicContact CE1-OE2 3.32Å; H127-E153 PolarHBondContact CE1-OE2 3.02Å; H127-E153 VanDerWaalsContact CE1-OE2 3.22Å; H127-E153 IonicContact ND1-OE1 3.83Å; H127-E153 PolarHBondContact ND1-OE1 3.05Å; H127-E153 IonicContact NE2-OE1 3.67Å; H127-E153 IonicContact NE2-OE2 3.93Å; Y145-E153 HydrophobicContact CD1-CB 4.17Å; S146-E153 CarbonylContact O-C 3.56Å; S146-E153 WeakPolarHBondContact O-CA 2.9Å; R147-E153 HydrophobicContact CG-CG 4.26Å; R147-E153 IonicContact CZ-OE1 3.8Å; R147-E153 IonicContact NE-OE1 2.62Å; R147-E153 IonicContact NH2-OE1 3.26Å; R147-E153 PolarHBondContact NH2-OE1 2.77Å; G151-E153 PolarHBondContact O-N 3.15Å
154V97.4Very high97.2Very high24 Ų2435.9 Ų35.915%0.14520%0.203CC..EExtended strand (participates in β ladder)trans-124.1121.7179.1-179.80000108.1Y145 S146 E156Y145-V154 CarbonylContact C-O 3.54Å; Y145-V154 WeakPolarHBondContact CA-O 3.48Å; S146-V154 PolarHBondContact N-O 3.2Å; S146-V154 PolarHBondContact O-N 2.53Å; V154-E156 WeakPolarHBondContact O-CG 3.45Å; V154-E156 PolarHBondContact O-N 2.9Å
155P98.1Very high97.1Very high19 Ų1935.9 Ų35.912%0.12320%0.203CC..EExtended strand (participates in β ladder)trans-68.7113.5174.728.1-33.4000109.5L143 Y145 D177 R182L143-P155 HydrophobicContact CD1-CB 4.09Å; L143-P155 HydrophobicContact CD2-CB 4.32Å; Y145-P155 HydrophobicContact CD1-CB 4.11Å; Y145-P155 HydrophobicContact CE1-CB 3.88Å; P155-D177 HydrophobicContact CB-CB 4.02Å; P155-D177 HydrophobicContact CG-CB 4.17Å; P155-R182 PolarHBondContact O-N 2.9Å
156E98.4Very high97Very high1 Ų137 Ų371%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-101.4-60.3-170.1-75.8-71.5177.100111.9F9 K27 W126 L144 S146 V154 R182 L183F9-E156 WeakPolarHBondContact CE1-OE2 3.36Å; F9-E156 WeakPolarHBondContact CZ-OE2 3.47Å; K27-E156 IonicContact NZ-OE1 2.68Å; K27-E156 PolarHBondContact NZ-OE1 2.82Å; K27-E156 IonicContact NZ-OE2 2.61Å; K27-E156 PolarHBondContact NZ-OE2 2.8Å; W126-E156 HydrophobicContact CH2-CB 3.8Å; W126-E156 HydrophobicContact CH2-CG 3.68Å; W126-E156 HydrophobicContact CZ3-CB 3.66Å; W126-E156 HydrophobicContact CZ3-CG 3.82Å; L144-E156 WeakPolarHBondContact O-CB 3.42Å; L144-E156 PolarHBondContact O-N 3Å; S146-E156 VanDerWaalsContact OG-CG 3.25Å; S146-E156 WeakPolarHBondContact OG-CG 3.4Å; S146-E156 PolarHBondContact OG-OE1 2.76Å; V154-E156 WeakPolarHBondContact O-CG 3.45Å; V154-E156 PolarHBondContact O-N 2.9Å; E156-R182 PolarHBondContact O-N 2.99Å; E156-R182 IonicContact OE1-CZ 3.67Å; E156-R182 IonicContact OE1-NH1 2.69Å; E156-R182 PolarHBondContact OE1-NH1 2.91Å; E156-R182 VanDerWaalsContact OE2-CD 3.32Å; E156-R182 WeakPolarHBondContact OE2-CD 3.44Å; E156-R182 IonicContact OE2-NH1 2.84Å; E156-L183 PolarHBondContact O-N 2.89Å
157I98.8Very high97Very high0 Ų036.4 Ų36.40%021%0.208CC..EExtended strand (participates in β ladder)trans-130.1115.8-170-53.1160.5000108.7F9 V25 F32 F34 L143 L144 L183 I185F9-I157 HydrophobicContact CD1-CD1 4.29Å; F9-I157 HydrophobicContact CD1-CG1 4.19Å; F9-I157 HydrophobicContact CE1-CD1 4Å; F9-I157 HydrophobicContact CE1-CG1 3.57Å; F9-I157 HydrophobicContact CZ-CG1 4.22Å; V25-I157 HydrophobicContact CB-CD1 4.11Å; V25-I157 HydrophobicContact CG1-CD1 3.57Å; V25-I157 HydrophobicContact CG1-CG1 4.28Å; F32-I157 HydrophobicContact CD2-CD1 3.96Å; F32-I157 HydrophobicContact CE2-CD1 4.39Å; F34-I157 HydrophobicContact CE1-CG2 4.45Å; F34-I157 HydrophobicContact CE2-CG2 3.8Å; F34-I157 HydrophobicContact CZ-CB 4.31Å; F34-I157 HydrophobicContact CZ-CG2 3.56Å; L143-I157 WeakPolarHBondContact CA-O 3.42Å; L144-I157 HydrophobicContact CB-CB 4.27Å; L144-I157 HydrophobicContact CD2-CD1 4.38Å; L144-I157 PolarHBondContact N-O 3.14Å; L144-I157 PolarHBondContact O-N 3.48Å; I157-L183 CarbonylContact C-O 3.51Å; I157-L183 WeakPolarHBondContact CA-O 3.49Å; I157-L183 HydrophobicContact CG1-CD2 4.35Å; I157-L183 HydrophobicContact CG2-CD2 4.17Å; I157-I185 HydrophobicContact CG2-CD1 3.86Å
158A98.8Very high97.1Very high0 Ų033.9 Ų33.90%020%0.198CC..EExtended strand (participates in β ladder)trans-99.5131.1168.100000109.7Y142 L143 L178 S181 L183 L184 I185Y142-A158 CarbonylContact O-C 3.6Å; Y142-A158 WeakPolarHBondContact O-CA 3.45Å; L143-A158 HydrophobicContact CD1-CB 3.99Å; A158-L178 HydrophobicContact CB-CD1 3.56Å; A158-S181 WeakPolarHBondContact CB-OG 3.32Å; A158-L183 PolarHBondContact N-O 3.5Å; A158-L184 HydrophobicContact CB-CD1 3.62Å; A158-I185 PolarHBondContact O-N 3.08Å
159Y98.8Very high97.2Very high0 Ų037 Ų370%021%0.205CC..EExtended strand (participates in β ladder)trans-124.8122.6172.4-179.7-106.7000109.9F34 D35 G141 Y142 I185 I228F34-Y159 HydrophobicContact CB-CD1 3.79Å; F34-Y159 HydrophobicContact CB-CD2 3.56Å; F34-Y159 HydrophobicContact CB-CE1 3.86Å; F34-Y159 HydrophobicContact CB-CE2 3.67Å; F34-Y159 HydrophobicContact CB-CG 3.63Å; F34-Y159 AromaticContact CD1-CD1 3.79Å; F34-Y159 HydrophobicContact CD1-CD1 3.79Å; F34-Y159 HydrophobicContact CD1-CD2 4.14Å; F34-Y159 AromaticContact CD1-CG 3.48Å; F34-Y159 HydrophobicContact CD1-CG 3.48Å; F34-Y159 VanDerWaalsContact CD1-CG 3.48Å; F34-Y159 HydrophobicContact CE1-CG 4.34Å; F34-Y159 HydrophobicContact CG-CD1 4.17Å; F34-Y159 AromaticContact CG-CD2 3.91Å; F34-Y159 HydrophobicContact CG-CD2 3.91Å; F34-Y159 AromaticContact CG-CG 3.73Å; F34-Y159 HydrophobicContact CG-CG 3.73Å; D35-Y159 WeakPolarHBondContact OD2-CE1 3.47Å; D35-Y159 PolarHBondContact OD2-OH 2.9Å; G141-Y159 CarbonylContact C-O 3.55Å; G141-Y159 WeakPolarHBondContact CA-O 3.45Å; Y142-Y159 HydrophobicContact CD2-CD1 4.41Å; Y142-Y159 PolarHBondContact N-O 2.85Å; Y142-Y159 PolarHBondContact O-N 3.1Å; Y159-I185 HydrophobicContact CD2-CB 3.84Å; Y159-I185 HydrophobicContact CD2-CD1 4.36Å; Y159-I185 HydrophobicContact CD2-CG2 3.61Å; Y159-I185 HydrophobicContact CE2-CG2 3.88Å; Y159-I228 HydrophobicContact CE2-CD1 3.86Å
160L98.7Very high97.5Very high3 Ų334.7 Ų34.72%0.01618%0.182CC..  trans-95.4-19.3-177.2-51.1-167.3000113.6F131 T133 I167 I168 L178 L184 I185 M186F131-L160 HydrophobicContact CE2-CD2 3.73Å; F131-L160 HydrophobicContact CZ-CD2 3.59Å; T133-L160 VanDerWaalsContact CG2-O 3.3Å; T133-L160 WeakPolarHBondContact CG2-O 3.35Å; L160-I167 HydrophobicContact CD1-CG2 3.82Å; L160-I167 HydrophobicContact CD2-CG1 4.47Å; L160-I168 HydrophobicContact CD1-CD1 3.89Å; L160-L178 HydrophobicContact CD2-CD1 3.96Å; L160-L178 HydrophobicContact CD2-CD2 4.25Å; L160-L184 HydrophobicContact CD1-CD1 4.19Å; L160-L184 HydrophobicContact CD2-CD1 4.02Å; L160-L184 HydrophobicContact CG-CD1 4.01Å; L160-I185 PolarHBondContact N-O 2.83Å; L160-I185 VanDerWaalsContact N-O 3.08Å; L160-M186 HydrophobicContact CD1-CB 3.64Å; L160-M186 HydrophobicContact CG-CB 4.04Å
161G98.3Very high97.5Very high0 Ų030 Ų300%015%0.15CC..  trans57.7-147.3-163.800000111.3
162D98.6Very high97.4Very high4 Ų433.9 Ų33.92%0.02116%0.159CC..SBendtrans-78.7128.4172.4-70.48.2000110.1H53 H58 H135 E187 H206 H229H53-D162 IonicContact CE1-OD2 3.65Å; H53-D162 IonicContact NE2-OD2 3.94Å; H58-D162 IonicContact CE1-OD1 2.89Å; H58-D162 PolarHBondContact CE1-OD1 3.18Å; H58-D162 IonicContact CE1-OD2 3.28Å; H58-D162 IonicContact NE2-OD1 3.7Å; H58-D162 PolarHBondContact NE2-OD1 3.37Å; H58-D162 IonicContact NE2-OD2 3.49Å; H58-D162 PolarHBondContact NE2-OD2 3.2Å; H135-D162 WeakPolarHBondContact CB-O 3.17Å; H135-D162 IonicContact CE1-OD2 2.67Å; D162-E187 VanDerWaalsContact CA-OE1 3.26Å; D162-E187 WeakPolarHBondContact CA-OE1 3.47Å; D162-H206 IonicContact OD2-CE1 3Å; D162-H206 PolarHBondContact OD2-CE1 2.75Å; D162-H206 VanDerWaalsContact OD2-CE1 3.32Å; D162-H206 IonicContact OD2-ND1 3.4Å; D162-H229 IonicContact OD1-CD2 3.2Å; D162-H229 PolarHBondContact OD1-CD2 3.32Å; D162-H229 VanDerWaalsContact OD1-CD2 3.29Å; D162-H229 IonicContact OD1-CE1 3.4Å; D162-H229 IonicContact OD1-CG 3.63Å; D162-H229 IonicContact OD1-ND1 2.71Å; D162-H229 IonicContact OD1-NE2 3.22Å; D162-H229 PolarHBondContact OD1-NE2 3.15Å; D162-H229 IonicContact OD2-CE1 3.72Å; D162-H229 PolarHBondContact OD2-CE1 3.04Å; D162-H229 IonicContact OD2-NE2 3.34Å; D162-H229 PolarHBondContact OD2-NE2 3.37Å
163S98.2Very high97.3Very high2 Ų231.8 Ų31.81%0.01416%0.163CC..  trans-163.3147.2-179.6-172.70000111.3D134 I167 E187 G205 H206 T207D134-S163 PolarHBondContact N-OG 2.84Å; D134-S163 VanDerWaalsContact N-OG 3.11Å; D134-S163 CarbonylContact O-C 3.51Å; D134-S163 WeakPolarHBondContact O-CA 3.47Å; D134-S163 PolarHBondContact O-OG 2.81Å; S163-I167 WeakPolarHBondContact OG-CG2 3.38Å; S163-E187 PolarHBondContact N-OE1 2.84Å; S163-G205 CarbonylContact C-O 3.58Å; S163-H206 CarbonylContact O-C 3.33Å; S163-T207 PolarHBondContact O-N 2.54Å; S163-T207 PolarHBondContact O-OG1 3.05Å
164R98.3Very high97.1Very high50 Ų5031.1 Ų31.119%0.18916%0.161CC..  trans-63156.1160.3-60.9177.8-175.986.96.2109.9D134 H135 T166 I167 R202 G205 T207D134-R164 HydrophobicContact CB-CB 4.19Å; D134-R164 WeakPolarHBondContact O-CG 3.36Å; D134-R164 PolarHBondContact O-N 3.41Å; D134-R164 IonicContact OD1-CZ 3.6Å; D134-R164 IonicContact OD1-NE 3.65Å; D134-R164 IonicContact OD1-NH1 2.69Å; D134-R164 PolarHBondContact OD1-NH1 2.8Å; D134-R164 WeakPolarHBondContact OD2-CD 3.49Å; H135-R164 VanDerWaalsContact C-NH1 3.27Å; H135-R164 PolarHBondContact O-NH1 3.03Å; R164-T166 PolarHBondContact O-N 3.16Å; R164-I167 VanDerWaalsContact O-CG2 3.27Å; R164-I167 WeakPolarHBondContact O-CG2 3.34Å; R164-R202 PolarHBondContact NE-O 2.77Å; R164-R202 PolarHBondContact NH2-O 3.3Å; R164-G205 VanDerWaalsContact CZ-CA 3.48Å; R164-G205 PolarHBondContact N-O 3.35Å; R164-T207 VanDerWaalsContact C-OG1 3.3Å
165F97.8Very high97Very high1 Ų130.2 Ų30.20%0.00416%0.156CC..THydrogen-bonded Turntrans-68-14.1-178.1-170.7-97.3000114.3I167 I168 R169 M186 T207 E211 I212 N215F165-I167 PolarHBondContact O-N 2.9Å; F165-I167 VanDerWaalsContact O-N 3.15Å; F165-I168 HydrophobicContact CD1-CB 4.43Å; F165-I168 HydrophobicContact CD2-CB 4.21Å; F165-I168 HydrophobicContact CD2-CG1 3.95Å; F165-I168 HydrophobicContact CE1-CB 4.03Å; F165-I168 HydrophobicContact CE1-CG2 4.13Å; F165-I168 HydrophobicContact CE2-CB 3.81Å; F165-I168 HydrophobicContact CE2-CG1 3.71Å; F165-I168 HydrophobicContact CE2-CG2 3.94Å; F165-I168 HydrophobicContact CG-CB 4.5Å; F165-I168 HydrophobicContact CZ-CB 3.7Å; F165-I168 HydrophobicContact CZ-CG1 4.15Å; F165-I168 HydrophobicContact CZ-CG2 3.54Å; F165-I168 WeakPolarHBondContact O-CB 3.49Å; F165-I168 PolarHBondContact O-N 2.84Å; F165-R169 HydrophobicContact CD1-CG 4.14Å; F165-R169 HydrophobicContact CE1-CG 4.01Å; F165-R169 PolarHBondContact O-N 3.17Å; F165-M186 HydrophobicContact CD2-CE 4.24Å; F165-M186 HydrophobicContact CE2-CE 4.34Å; F165-T207 HydrophobicContact CB-CG2 4.12Å; F165-T207 HydrophobicContact CD2-CG2 3.89Å; F165-T207 HydrophobicContact CG-CG2 4.48Å; F165-T207 PolarHBondContact N-OG1 2.83Å; F165-T207 VanDerWaalsContact N-OG1 3.1Å; F165-E211 HydrophobicContact CB-CB 3.85Å; F165-E211 HydrophobicContact CB-CG 4.36Å; F165-E211 HydrophobicContact CD1-CB 3.89Å; F165-E211 HydrophobicContact CD2-CB 3.87Å; F165-E211 HydrophobicContact CE1-CB 4.47Å; F165-E211 HydrophobicContact CE2-CB 4.45Å; F165-E211 HydrophobicContact CG-CB 3.57Å; F165-E211 WeakPolarHBondContact CZ-O 3.37Å; F165-I212 HydrophobicContact CD2-CG1 4.26Å; F165-I212 HydrophobicContact CE2-CB 4.49Å; F165-I212 HydrophobicContact CE2-CG1 3.92Å; F165-N215 HydrophobicContact CE1-CB 3.55Å; F165-N215 HydrophobicContact CZ-CB 3.6Å
166T96.8Very high96.8Very high38 Ų3833.7 Ų33.723%0.23318%0.178CC..Hα-helixtrans-48.8-37.2174.942.50000112.7D134 R164 I168 R169 E170D134-T166 VanDerWaalsContact CB-OG1 3.28Å; D134-T166 WeakPolarHBondContact CB-OG1 3.33Å; D134-T166 VanDerWaalsContact CG-OG1 3.29Å; D134-T166 WeakPolarHBondContact OD2-CB 3.22Å; D134-T166 PolarHBondContact OD2-OG1 3.21Å; R164-T166 PolarHBondContact O-N 3.16Å; T166-I168 PolarHBondContact O-N 2.75Å; T166-R169 WeakPolarHBondContact O-CB 3.48Å; T166-R169 PolarHBondContact O-N 3.08Å; T166-E170 WeakPolarHBondContact O-CB 3.39Å; T166-E170 PolarHBondContact O-N 2.99Å
167I97Very high96.7Very high2 Ų236.7 Ų36.71%0.0119%0.194CC..Hα-helixtrans-53.6-37.4174-173.454.2000113.3F131 S132 L160 S163 R164 F165 A171 L174 L178F131-I167 HydrophobicContact CD2-CD1 4.04Å; F131-I167 HydrophobicContact CE2-CD1 4.18Å; F131-I167 HydrophobicContact CE2-CG1 4.36Å; S132-I167 WeakPolarHBondContact O-CD1 3.42Å; L160-I167 HydrophobicContact CD1-CG2 3.82Å; L160-I167 HydrophobicContact CD2-CG1 4.47Å; S163-I167 WeakPolarHBondContact OG-CG2 3.38Å; R164-I167 VanDerWaalsContact O-CG2 3.27Å; R164-I167 WeakPolarHBondContact O-CG2 3.34Å; F165-I167 PolarHBondContact O-N 2.9Å; F165-I167 VanDerWaalsContact O-N 3.15Å; I167-A171 WeakPolarHBondContact O-CA 3.11Å; I167-A171 WeakPolarHBondContact O-CB 3.14Å; I167-A171 PolarHBondContact O-N 2.8Å; I167-L174 HydrophobicContact CD1-CB 4.45Å; I167-L174 HydrophobicContact CD1-CD1 3.42Å; I167-L174 VanDerWaalsContact CD1-CD1 3.42Å; I167-L178 HydrophobicContact CD1-CD2 4.32Å; I167-L178 HydrophobicContact CG1-CD2 4.17Å
168I97.8Very high96.7Very high2 Ų236.7 Ų36.71%0.0119%0.194CC..Hα-helixtrans-72.8-37.8178-58.9-59.5000110.5L160 F165 T166 E170 L179 L184 M186 L218 L219L160-I168 HydrophobicContact CD1-CD1 3.89Å; F165-I168 HydrophobicContact CD1-CB 4.43Å; F165-I168 HydrophobicContact CD2-CB 4.21Å; F165-I168 HydrophobicContact CD2-CG1 3.95Å; F165-I168 HydrophobicContact CE1-CB 4.03Å; F165-I168 HydrophobicContact CE1-CG2 4.13Å; F165-I168 HydrophobicContact CE2-CB 3.81Å; F165-I168 HydrophobicContact CE2-CG1 3.71Å; F165-I168 HydrophobicContact CE2-CG2 3.94Å; F165-I168 HydrophobicContact CG-CB 4.5Å; F165-I168 HydrophobicContact CZ-CB 3.7Å; F165-I168 HydrophobicContact CZ-CG1 4.15Å; F165-I168 HydrophobicContact CZ-CG2 3.54Å; F165-I168 WeakPolarHBondContact O-CB 3.49Å; F165-I168 PolarHBondContact O-N 2.84Å; T166-I168 PolarHBondContact O-N 2.75Å; I168-E170 VanDerWaalsContact C-N 3.34Å; I168-L179 HydrophobicContact CD1-CD2 3.9Å; I168-L179 HydrophobicContact CG2-CD1 4.35Å; I168-L179 HydrophobicContact CG2-CD2 4.15Å; I168-L184 HydrophobicContact CD1-CD2 4.11Å; I168-M186 HydrophobicContact CD1-CE 4.29Å; I168-M186 HydrophobicContact CD1-SD 4.39Å; I168-M186 HydrophobicContact CG1-CE 4.06Å; I168-L218 HydrophobicContact CG2-CB 4.17Å; I168-L218 HydrophobicContact CG2-CD1 4.09Å; I168-L219 HydrophobicContact CD1-CD2 4.41Å; I168-L219 HydrophobicContact CG2-CD2 4.1Å; I168-L219 HydrophobicContact CG2-CG 4.47Å
169R96.7Very high96.6Very high120 Ų12037.5 Ų37.545%0.45320%0.199SC..Hα-helixtrans-69.3-34.5177.6-67.1179.9175.4165.23.9112.3F165 T166 N215 L218F165-R169 HydrophobicContact CD1-CG 4.14Å; F165-R169 HydrophobicContact CE1-CG 4.01Å; F165-R169 PolarHBondContact O-N 3.17Å; T166-R169 WeakPolarHBondContact O-CB 3.48Å; T166-R169 PolarHBondContact O-N 3.08Å; R169-N215 PolarHBondContact NH2-ND2 3.27Å; R169-L218 HydrophobicContact CG-CD1 4.18Å
170E96.1Very high96.6Very high100 Ų10039.8 Ų39.847%0.46722%0.215SC..SBendtrans-99.56.5-175.8-64.3175.9-167.800113T166 I168 N172 S173 L174T166-E170 WeakPolarHBondContact O-CB 3.39Å; T166-E170 PolarHBondContact O-N 2.99Å; I168-E170 VanDerWaalsContact C-N 3.34Å; E170-N172 VanDerWaalsContact C-N 3.28Å; E170-N172 PolarHBondContact O-N 3.45Å; E170-S173 PolarHBondContact O-N 3.15Å; E170-S173 PolarHBondContact O-OG 2.97Å; E170-L174 HydrophobicContact CB-CD1 3.75Å; E170-L174 HydrophobicContact CB-CG 4.25Å; E170-L174 PolarHBondContact O-N 3.25Å; E170-L174 VanDerWaalsContact O-N 3.08Å
171A95.7Very high96.6Very high0 Ų039.7 Ų39.70%021%0.214CC..Hα-helixtrans-52.1-44.7-173.800000112.6I167 S173 L174 C175 L178 L179I167-A171 WeakPolarHBondContact O-CA 3.11Å; I167-A171 WeakPolarHBondContact O-CB 3.14Å; I167-A171 PolarHBondContact O-N 2.8Å; A171-S173 PolarHBondContact O-N 3.14Å; A171-L174 PolarHBondContact O-N 3.16Å; A171-L174 VanDerWaalsContact O-N 3.16Å; A171-C175 CarbonylContact O-C 3.42Å; A171-C175 PolarHBondContact O-N 3.29Å; A171-L178 HydrophobicContact CB-CB 4.27Å; A171-L178 HydrophobicContact CB-CD2 3.91Å; A171-L179 HydrophobicContact CB-CD1 3.64Å; A171-L179 HydrophobicContact CB-CD2 4.06Å; A171-L179 HydrophobicContact CB-CG 3.55Å
172N92.3Very high96.6Very high127 Ų12744.2 Ų44.268%0.67923%0.231SC*.Hα-helixtrans-59.5-32.9-179.4-73.7-7.2000113.6E170E170-N172 VanDerWaalsContact C-N 3.28Å; E170-N172 PolarHBondContact O-N 3.45Å
173S94.2Very high96.6Very high97 Ų9744 Ų4468%0.67823%0.23SC*.Hα-helixtrans-83.7-32.9176.639.10000113.1E170 A171E170-S173 PolarHBondContact O-N 3.15Å; E170-S173 PolarHBondContact O-OG 2.97Å; A171-S173 PolarHBondContact O-N 3.14Å
174L93Very high96.6Very high63 Ų6344 Ų4433%0.3323%0.23SC..Hα-helixtrans-86.8-42.7-173.8-67.1171.3000112.6I167 E170 A171I167-L174 HydrophobicContact CD1-CB 4.45Å; I167-L174 HydrophobicContact CD1-CD1 3.42Å; I167-L174 VanDerWaalsContact CD1-CD1 3.42Å; E170-L174 HydrophobicContact CB-CD1 3.75Å; E170-L174 HydrophobicContact CB-CG 4.25Å; E170-L174 PolarHBondContact O-N 3.25Å; E170-L174 VanDerWaalsContact O-N 3.08Å; A171-L174 PolarHBondContact O-N 3.16Å; A171-L174 VanDerWaalsContact O-N 3.16Å
175C94.7Very high96.6Very high5 Ų541.6 Ų41.63%0.03422%0.221CC..  trans-15892.3-178.3-172.90000108.8F131 L143 A171 D177 L178F131-C175 HydrophobicContact CB-CB 4.02Å; F131-C175 HydrophobicContact CD1-CB 4.05Å; F131-C175 HydrophobicContact CG-CB 4.08Å; L143-C175 VanDerWaalsContact CD2-SG 3.53Å; A171-C175 CarbonylContact O-C 3.42Å; A171-C175 PolarHBondContact O-N 3.29Å; C175-D177 PolarHBondContact O-N 2.69Å; C175-L178 HydrophobicContact CB-CB 4.08Å; C175-L178 WeakPolarHBondContact O-CB 3.45Å; C175-L178 PolarHBondContact O-N 2.69Å
176P93.6Very high96.7Very high92 Ų9241.6 Ų41.660%0.59722%0.221SC*.THydrogen-bonded Turntrans-53.2-30.6-169.2-30.234.4000116.3
177D97.1Very high96.7Very high64 Ų6439.9 Ų39.934%0.34221%0.21SC..THydrogen-bonded Turntrans-91.41.9-179.9-63.7-39.6000113.9L143 Y145 P155 C175 L179 S180 S181L143-D177 HydrophobicContact CD2-CB 3.81Å; Y145-D177 HydrophobicContact CE1-CB 4.16Å; Y145-D177 WeakPolarHBondContact CE1-OD2 3.25Å; Y145-D177 WeakPolarHBondContact OH-CB 3.49Å; Y145-D177 PolarHBondContact OH-OD2 3.04Å; P155-D177 HydrophobicContact CB-CB 4.02Å; P155-D177 HydrophobicContact CG-CB 4.17Å; C175-D177 PolarHBondContact O-N 2.69Å; D177-L179 VanDerWaalsContact C-N 3.32Å; D177-L179 PolarHBondContact O-N 2.86Å; D177-S180 WeakPolarHBondContact CA-OG 3.29Å; D177-S180 PolarHBondContact O-N 2.85Å; D177-S180 VanDerWaalsContact O-N 3.08Å; D177-S180 PolarHBondContact O-OG 2.86Å; D177-S181 PolarHBondContact O-N 3.35Å
178L98.1Very high96.8Very high0 Ų039.8 Ų39.80%021%0.21CC..G310 helixtrans-56.8-46.2-174.5-178.764.3000112.1F131 A158 L160 I167 A171 C175 S180 S181F131-L178 HydrophobicContact CE1-CD1 3.78Å; F131-L178 HydrophobicContact CE2-CD1 4.29Å; F131-L178 HydrophobicContact CE2-CD2 4.34Å; F131-L178 HydrophobicContact CZ-CD1 3.58Å; F131-L178 HydrophobicContact CZ-CD2 4.43Å; A158-L178 HydrophobicContact CB-CD1 3.56Å; L160-L178 HydrophobicContact CD2-CD1 3.96Å; L160-L178 HydrophobicContact CD2-CD2 4.25Å; I167-L178 HydrophobicContact CD1-CD2 4.32Å; I167-L178 HydrophobicContact CG1-CD2 4.17Å; A171-L178 HydrophobicContact CB-CB 4.27Å; A171-L178 HydrophobicContact CB-CD2 3.91Å; C175-L178 HydrophobicContact CB-CB 4.08Å; C175-L178 WeakPolarHBondContact O-CB 3.45Å; C175-L178 PolarHBondContact O-N 2.69Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.91Å; L178-S181 WeakPolarHBondContact O-CB 3.29Å; L178-S181 PolarHBondContact O-N 2.75Å; L178-S181 PolarHBondContact O-OG 3.42Å
179L97.8Very high96.8Very high18 Ų1839.9 Ų39.99%0.09421%0.21CC..G310 helixtrans-87.14.7-178.3-53.3-176.3000113.5I168 A171 D177 L218 L219 S221 V222I168-L179 HydrophobicContact CD1-CD2 3.9Å; I168-L179 HydrophobicContact CG2-CD1 4.35Å; I168-L179 HydrophobicContact CG2-CD2 4.15Å; A171-L179 HydrophobicContact CB-CD1 3.64Å; A171-L179 HydrophobicContact CB-CD2 4.06Å; A171-L179 HydrophobicContact CB-CG 3.55Å; D177-L179 VanDerWaalsContact C-N 3.32Å; D177-L179 PolarHBondContact O-N 2.86Å; L179-L218 HydrophobicContact CD1-CB 4.32Å; L179-L218 WeakPolarHBondContact CD1-O 3.4Å; L179-L219 HydrophobicContact CD2-CD2 4.22Å; L179-S221 CarbonylContact O-C 3.12Å; L179-S221 VanDerWaalsContact O-C 3.31Å; L179-S221 VanDerWaalsContact O-CB 3.27Å; L179-S221 WeakPolarHBondContact O-CB 3.26Å; L179-V222 HydrophobicContact CB-CG2 4.49Å; L179-V222 VanDerWaalsContact O-CG2 3.26Å; L179-V222 WeakPolarHBondContact O-CG2 3.31Å; L179-V222 PolarHBondContact O-N 3.02Å
180S97.6Very high96.8Very high48 Ų4835.1 Ų35.134%0.33619%0.193SC..G310 helixtrans-1065.6167.964.40000112.5D177 L178D177-S180 WeakPolarHBondContact CA-OG 3.29Å; D177-S180 PolarHBondContact O-N 2.85Å; D177-S180 VanDerWaalsContact O-N 3.08Å; D177-S180 PolarHBondContact O-OG 2.86Å; L178-S180 VanDerWaalsContact C-N 3.29Å; L178-S180 PolarHBondContact O-N 2.91Å
181S98.1Very high96.9Very high0 Ų030.4 Ų30.40%017%0.171CC..  trans-62.3141.8174.559.70000112.1A158 D177 L178 L183 V222A158-S181 WeakPolarHBondContact CB-OG 3.32Å; D177-S181 PolarHBondContact O-N 3.35Å; L178-S181 WeakPolarHBondContact O-CB 3.29Å; L178-S181 PolarHBondContact O-N 2.75Å; L178-S181 PolarHBondContact O-OG 3.42Å; S181-L183 VanDerWaalsContact C-N 3.33Å; S181-V222 WeakPolarHBondContact O-CA 3.25Å
182R98.2Very high96.8Very high96 Ų9632.2 Ų32.236%0.36218%0.181SC..SBendtrans-67.8-35.4175.8-66.9-178.5163.9162.9-3.6112.1F9 P155 E156 D223 Y224F9-R182 HydrophobicContact CE2-CB 3.9Å; F9-R182 HydrophobicContact CZ-CB 3.88Å; P155-R182 PolarHBondContact O-N 2.9Å; E156-R182 PolarHBondContact O-N 2.99Å; E156-R182 IonicContact OE1-CZ 3.67Å; E156-R182 IonicContact OE1-NH1 2.69Å; E156-R182 PolarHBondContact OE1-NH1 2.91Å; E156-R182 VanDerWaalsContact OE2-CD 3.32Å; E156-R182 WeakPolarHBondContact OE2-CD 3.44Å; E156-R182 IonicContact OE2-NH1 2.84Å; R182-D223 WeakPolarHBondContact CG-OD2 3.49Å; R182-D223 WeakPolarHBondContact O-CB 3.49Å; R182-Y224 PolarHBondContact O-N 2.79Å
183L98.7Very high96.8Very high0 Ų030.7 Ų30.70%017%0.172CC..EExtended strand (participates in β ladder)trans-129.5111.2178177.666.9000109.6V6 F9 I11 V25 E156 I157 A158 S181 I185 Y224V6-L183 HydrophobicContact CG1-CD1 4.32Å; F9-L183 HydrophobicContact CD1-CD2 4.33Å; F9-L183 HydrophobicContact CD2-CB 4.06Å; F9-L183 HydrophobicContact CD2-CD2 4.23Å; F9-L183 HydrophobicContact CE2-CB 3.66Å; F9-L183 HydrophobicContact CG-CD2 4.11Å; F9-L183 HydrophobicContact CZ-CB 3.9Å; I11-L183 HydrophobicContact CD1-CD1 3.62Å; I11-L183 HydrophobicContact CD1-CD2 3.45Å; I11-L183 VanDerWaalsContact CD1-CD2 3.45Å; I11-L183 HydrophobicContact CD1-CG 4.18Å; I11-L183 HydrophobicContact CG1-CD2 4.15Å; V25-L183 HydrophobicContact CG1-CD2 4.06Å; V25-L183 HydrophobicContact CG2-CD2 4.15Å; E156-L183 PolarHBondContact O-N 2.89Å; I157-L183 CarbonylContact C-O 3.51Å; I157-L183 WeakPolarHBondContact CA-O 3.49Å; I157-L183 HydrophobicContact CG1-CD2 4.35Å; I157-L183 HydrophobicContact CG2-CD2 4.17Å; A158-L183 PolarHBondContact N-O 3.5Å; S181-L183 VanDerWaalsContact C-N 3.33Å; L183-I185 HydrophobicContact CD2-CD1 4.15Å; L183-I185 HydrophobicContact CD2-CG1 4.21Å; L183-I185 HydrophobicContact CG-CD1 4.47Å; L183-I185 HydrophobicContact CG-CG1 4.04Å; L183-Y224 WeakPolarHBondContact CA-O 3.24Å
184L98.8Very high96.7Very high0 Ų028 Ų280%015%0.152CC..EExtended strand (participates in β ladder)trans-98.4117.2170.1177.861000109.8A158 L160 I168 M186 L219 V222 Y224 I225 Y226A158-L184 HydrophobicContact CB-CD1 3.62Å; L160-L184 HydrophobicContact CD1-CD1 4.19Å; L160-L184 HydrophobicContact CD2-CD1 4.02Å; L160-L184 HydrophobicContact CG-CD1 4.01Å; I168-L184 HydrophobicContact CD1-CD2 4.11Å; L184-M186 HydrophobicContact CD2-SD 3.81Å; L184-M186 HydrophobicContact CG-CB 4.41Å; L184-M186 HydrophobicContact CG-CG 4.39Å; L184-M186 HydrophobicContact CG-SD 4.31Å; L184-L219 HydrophobicContact CD2-CD2 3.75Å; L184-V222 HydrophobicContact CB-CG1 3.64Å; L184-V222 HydrophobicContact CB-CG2 4.49Å; L184-V222 HydrophobicContact CD2-CG2 4.33Å; L184-Y224 PolarHBondContact N-O 2.86Å; L184-I225 CarbonylContact O-C 3.5Å; L184-I225 WeakPolarHBondContact O-CA 3.06Å; L184-Y226 PolarHBondContact O-N 2.81Å
185I98.8Very high96.4Very high0 Ų032.8 Ų32.80%018%0.179CC..EExtended strand (participates in β ladder)trans-102.5112.8174-54.5164.3000107.4V23 V25 F34 I157 A158 Y159 L160 L183 Y226 I228V23-I185 HydrophobicContact CG1-CD1 4.12Å; V23-I185 HydrophobicContact CG2-CG2 4.28Å; V25-I185 HydrophobicContact CG2-CD1 3.81Å; F34-I185 HydrophobicContact CD2-CD1 4.2Å; F34-I185 HydrophobicContact CE2-CD1 4.32Å; I157-I185 HydrophobicContact CG2-CD1 3.86Å; A158-I185 PolarHBondContact O-N 3.08Å; Y159-I185 HydrophobicContact CD2-CB 3.84Å; Y159-I185 HydrophobicContact CD2-CD1 4.36Å; Y159-I185 HydrophobicContact CD2-CG2 3.61Å; Y159-I185 HydrophobicContact CE2-CG2 3.88Å; L160-I185 PolarHBondContact N-O 2.83Å; L160-I185 VanDerWaalsContact N-O 3.08Å; L183-I185 HydrophobicContact CD2-CD1 4.15Å; L183-I185 HydrophobicContact CD2-CG1 4.21Å; L183-I185 HydrophobicContact CG-CD1 4.47Å; L183-I185 HydrophobicContact CG-CG1 4.04Å; I185-Y226 WeakPolarHBondContact CA-O 3.39Å; I185-Y226 HydrophobicContact CG2-CD1 4.3Å; I185-I228 HydrophobicContact CG2-CD1 3.92Å; I185-I228 HydrophobicContact CG2-CG1 4.27Å; I185-I228 HydrophobicContact CG2-CG2 4.07Å
186M98.7Very high96.1Very high1 Ų142.7 Ų42.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-141.1154.1-17767.2179.1-64.800111.6L160 F165 I168 L184 T207 I212 I225 Y226 L227 I228L160-M186 HydrophobicContact CD1-CB 3.64Å; L160-M186 HydrophobicContact CG-CB 4.04Å; F165-M186 HydrophobicContact CD2-CE 4.24Å; F165-M186 HydrophobicContact CE2-CE 4.34Å; I168-M186 HydrophobicContact CD1-CE 4.29Å; I168-M186 HydrophobicContact CD1-SD 4.39Å; I168-M186 HydrophobicContact CG1-CE 4.06Å; L184-M186 HydrophobicContact CD2-SD 3.81Å; L184-M186 HydrophobicContact CG-CB 4.41Å; L184-M186 HydrophobicContact CG-CG 4.39Å; L184-M186 HydrophobicContact CG-SD 4.31Å; M186-T207 HydrophobicContact CE-CG2 4.21Å; M186-I212 HydrophobicContact CE-CD1 3.83Å; M186-I212 HydrophobicContact CE-CG1 4.05Å; M186-I212 HydrophobicContact SD-CD1 4.1Å; M186-I225 HydrophobicContact CG-CG2 3.95Å; M186-I225 HydrophobicContact SD-CG2 3.98Å; M186-Y226 PolarHBondContact N-O 2.77Å; M186-L227 HydrophobicContact CG-CD2 3.67Å; M186-L227 WeakPolarHBondContact O-CA 3.32Å; M186-L227 HydrophobicContact SD-CD2 4.35Å; M186-I228 PolarHBondContact O-N 3.29Å
187E98.5Very high95.9Very high3 Ų339.6 Ų39.61%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-73.3154.1173.861.6147.6115.500113.3D162 S163 T189 H206 T207 I228 H229D162-E187 VanDerWaalsContact CA-OE1 3.26Å; D162-E187 WeakPolarHBondContact CA-OE1 3.47Å; S163-E187 PolarHBondContact N-OE1 2.84Å; E187-T189 WeakPolarHBondContact OE2-CB 3.42Å; E187-T189 PolarHBondContact OE2-OG1 3.13Å; E187-H206 WeakPolarHBondContact OE1-CA 3.21Å; E187-H206 IonicContact OE1-CE1 3.89Å; E187-H206 IonicContact OE1-CG 3.75Å; E187-H206 IonicContact OE1-ND1 2.8Å; E187-H206 PolarHBondContact OE1-ND1 3.43Å; E187-H206 WeakPolarHBondContact OE2-CA 3.25Å; E187-H206 VanDerWaalsContact OE2-CB 3.25Å; E187-H206 WeakPolarHBondContact OE2-CB 3.44Å; E187-H206 IonicContact OE2-CG 3.94Å; E187-H206 IonicContact OE2-ND1 3.79Å; E187-H206 PolarHBondContact OE2-ND1 2.89Å; E187-T207 PolarHBondContact OE2-N 3.18Å; E187-I228 WeakPolarHBondContact CA-O 3.47Å; E187-H229 HydrophobicContact CB-CB 3.63Å
188A97.9Very high95.7Very high0 Ų037.5 Ų37.50%018%0.181CC..  trans-142.171.4161.300000108.4F190 L191 T207 L209 I212 L227 I228 F230A188-F190 PolarHBondContact O-N 2.73Å; A188-L191 HydrophobicContact CB-CD2 4.04Å; A188-L191 VanDerWaalsContact O-CD2 3.27Å; A188-L191 WeakPolarHBondContact O-CD2 3.34Å; A188-T207 CarbonylContact C-O 3.31Å; A188-L209 HydrophobicContact CB-CD1 4.5Å; A188-I212 HydrophobicContact CB-CD1 4.34Å; A188-L227 HydrophobicContact CB-CD1 4.26Å; A188-L227 HydrophobicContact CB-CD2 4.21Å; A188-I228 PolarHBondContact N-O 3.33Å; A188-I228 VanDerWaalsContact N-O 3.08Å; A188-F230 HydrophobicContact CB-CE1 4.2Å; A188-F230 WeakPolarHBondContact O-CD1 3.13Å
189T97.9Very high95.4Very high4 Ų443.4 Ų43.43%0.02521%0.208CC..  trans-58.3-34.8-169.3-60.10000113.6A17 E187 H206 T207 H229 S231 Y234A17-T189 HydrophobicContact CB-CG2 4.04Å; E187-T189 WeakPolarHBondContact OE2-CB 3.42Å; E187-T189 PolarHBondContact OE2-OG1 3.13Å; T189-H206 HydrophobicContact CG2-CB 4.45Å; T189-T207 PolarHBondContact N-O 3.35Å; T189-H229 WeakPolarHBondContact CA-O 3.38Å; T189-H229 PolarHBondContact OG1-ND1 2.84Å; T189-H229 PolarHBondContact OG1-O 2.76Å; T189-S231 VanDerWaalsContact O-CB 3.22Å; T189-S231 WeakPolarHBondContact O-CB 3.18Å; T189-S231 PolarHBondContact O-N 3.47Å; T189-Y234 WeakPolarHBondContact O-CE2 3.27Å
190F97.3Very high95.1Very high20 Ų2044.5 Ų44.59%0.08822%0.218CC..BIsolated β-bridgetrans-122.6138.7179.6-59.3-78000111.8A188 K197 A201 H208 L209 Y234A188-F190 PolarHBondContact O-N 2.73Å; F190-K197 HydrophobicContact CB-CB 4.27Å; F190-K197 HydrophobicContact CB-CD 4.34Å; F190-K197 HydrophobicContact CD1-CD 3.95Å; F190-K197 HydrophobicContact CG-CD 4.44Å; F190-A201 HydrophobicContact CD2-CB 3.54Å; F190-A201 HydrophobicContact CE2-CB 4.04Å; F190-H208 WeakPolarHBondContact CB-CD2 3.43Å; F190-H208 WeakPolarHBondContact O-CA 3.34Å; F190-L209 PolarHBondContact O-N 3.28Å; F190-Y234 WeakPolarHBondContact CA-OH 3.4Å
191L97Very high95Very high1 Ų142.2 Ų42.21%0.00520%0.202CC..  trans-122.9-15.2-165.9-56.8-174.2000114.5A188 L209 F230 Y234 I239 L242A188-L191 HydrophobicContact CB-CD2 4.04Å; A188-L191 VanDerWaalsContact O-CD2 3.27Å; A188-L191 WeakPolarHBondContact O-CD2 3.34Å; L191-L209 HydrophobicContact CB-CD2 4.41Å; L191-L209 HydrophobicContact CD2-CB 3.74Å; L191-L209 HydrophobicContact CD2-CD2 3.9Å; L191-L209 HydrophobicContact CD2-CG 4.3Å; L191-F230 HydrophobicContact CD1-CD1 3.82Å; L191-F230 HydrophobicContact CD1-CE1 4.22Å; L191-F230 HydrophobicContact CD2-CD1 3.82Å; L191-F230 HydrophobicContact CD2-CE1 3.92Å; L191-F230 HydrophobicContact CG-CD1 4.17Å; L191-Y234 HydrophobicContact CB-CE1 4.17Å; L191-Y234 HydrophobicContact CB-CE2 4.06Å; L191-Y234 HydrophobicContact CD1-CD2 3.86Å; L191-Y234 HydrophobicContact CD1-CE2 4.16Å; L191-Y234 HydrophobicContact CD1-CG 4.1Å; L191-Y234 HydrophobicContact CG-CD2 3.97Å; L191-Y234 HydrophobicContact CG-CE2 3.75Å; L191-Y234 PolarHBondContact N-OH 2.99Å; L191-Y234 VanDerWaalsContact N-OH 3.07Å; L191-I239 HydrophobicContact CD1-CB 4.19Å; L191-I239 HydrophobicContact CD1-CG1 3.88Å; L191-I239 HydrophobicContact CD1-CG2 4.27Å; L191-L242 HydrophobicContact CB-CB 3.92Å; L191-L242 HydrophobicContact CB-CD1 3.68Å; L191-L242 HydrophobicContact CB-CG 4.41Å; L191-L242 HydrophobicContact CD1-CB 4.29Å; L191-L242 HydrophobicContact CD1-CD1 4.36Å
192D95.1Very high94.8Very high38 Ų3845.7 Ų45.720%0.20322%0.215CC..SBendtrans-134.8167.5-170.369.2-35000111.7K197 H208 Y234 L242D192-K197 VanDerWaalsContact CG-NZ 3.26Å; D192-K197 WeakPolarHBondContact O-CD 3.43Å; D192-K197 WeakPolarHBondContact OD1-CD 2.97Å; D192-K197 WeakPolarHBondContact OD1-CE 3.3Å; D192-K197 IonicContact OD1-NZ 3.78Å; D192-K197 PolarHBondContact OD1-NZ 3.18Å; D192-K197 IonicContact OD2-NZ 2.89Å; D192-K197 PolarHBondContact OD2-NZ 3.48Å; D192-H208 PolarHBondContact O-NE2 3.49Å; D192-Y234 HydrophobicContact CB-CE1 4.43Å; D192-Y234 VanDerWaalsContact OD1-CE1 3.29Å; D192-Y234 WeakPolarHBondContact OD1-CE1 3.34Å; D192-Y234 PolarHBondContact OD1-OH 3.4Å; D192-L242 HydrophobicContact CB-CD1 4.22Å; D192-L242 HydrophobicContact CB-CD2 4.49Å
193N92.1Very high94.5Very high94 Ų9445 Ų4550%0.50323%0.225SC..  trans52.654.3174.3-63.4-50.9000113.7D195 R196 K197N193-D195 PolarHBondContact O-N 2.88Å; N193-D195 VanDerWaalsContact O-N 3.14Å; N193-R196 PolarHBondContact O-N 3.41Å; N193-K197 HydrophobicContact CB-CD 4.45Å; N193-K197 HydrophobicContact CB-CG 4.27Å; N193-K197 PolarHBondContact O-N 2.8Å
194P91Very high94.3Very high40 Ų4050.2 Ų50.226%0.2625%0.249SC..Hα-helixtrans-51-42.4-174.815-28.8000113.7R196 K197 I198 D210P194-R196 PolarHBondContact O-N 3.02Å; P194-K197 PolarHBondContact O-N 3.16Å; P194-I198 HydrophobicContact CB-CD1 3.63Å; P194-I198 HydrophobicContact CB-CG1 4.1Å; P194-I198 WeakPolarHBondContact O-CB 3.33Å; P194-I198 WeakPolarHBondContact O-CG1 3.27Å; P194-I198 PolarHBondContact O-N 3.47Å; P194-I198 VanDerWaalsContact O-N 3.07Å; P194-D210 HydrophobicContact CB-CB 4.04Å; P194-D210 WeakPolarHBondContact CB-OD2 3.32Å; P194-D210 WeakPolarHBondContact CD-OD2 3.38Å; P194-D210 VanDerWaalsContact CG-OD2 3.24Å; P194-D210 WeakPolarHBondContact CG-OD2 3.37Å
195D88.4Confident94.2Very high165 Ų16550.2 Ų50.288%0.88225%0.249SC*.Hα-helixtrans-56.2-24.4-179-58-26.1000113.6N193N193-D195 PolarHBondContact O-N 2.88Å; N193-D195 VanDerWaalsContact O-N 3.14Å
196R87.1Confident94.2Very high212 Ų21251.5 Ų51.580%0.826%0.255SS*.Hα-helixtrans-110-34.8179.4-63.7-176.7-178.9179.80.3112.7N193 P194N193-R196 PolarHBondContact O-N 3.41Å; P194-R196 PolarHBondContact O-N 3.02Å
197K90.3Very high94.1Very high28 Ų2851.6 Ų51.612%0.12226%0.256CS..Hα-helixtrans-98.1-17-167.3-66.5-164.2-174168.10114.7F190 D192 N193 P194 S200 A201 Y234F190-K197 HydrophobicContact CB-CB 4.27Å; F190-K197 HydrophobicContact CB-CD 4.34Å; F190-K197 HydrophobicContact CD1-CD 3.95Å; F190-K197 HydrophobicContact CG-CD 4.44Å; D192-K197 VanDerWaalsContact CG-NZ 3.26Å; D192-K197 WeakPolarHBondContact O-CD 3.43Å; D192-K197 WeakPolarHBondContact OD1-CD 2.97Å; D192-K197 WeakPolarHBondContact OD1-CE 3.3Å; D192-K197 IonicContact OD1-NZ 3.78Å; D192-K197 PolarHBondContact OD1-NZ 3.18Å; D192-K197 IonicContact OD2-NZ 2.89Å; D192-K197 PolarHBondContact OD2-NZ 3.48Å; N193-K197 HydrophobicContact CB-CD 4.45Å; N193-K197 HydrophobicContact CB-CG 4.27Å; N193-K197 PolarHBondContact O-N 2.8Å; P194-K197 PolarHBondContact O-N 3.16Å; K197-S200 PolarHBondContact O-N 3.29Å; K197-A201 WeakPolarHBondContact O-CB 3.26Å; K197-A201 PolarHBondContact O-N 3.4Å; K197-Y234 PolarHBondContact NZ-OH 3.39Å
198I92.2Very high94.1Very high19 Ų1951.4 Ų51.410%0.09726%0.255CS..Hα-helixtrans-62.8-51.1175.6-71.2172000110.7P194 S200 A201 R202 H208 D210 E211P194-I198 HydrophobicContact CB-CD1 3.63Å; P194-I198 HydrophobicContact CB-CG1 4.1Å; P194-I198 WeakPolarHBondContact O-CB 3.33Å; P194-I198 WeakPolarHBondContact O-CG1 3.27Å; P194-I198 PolarHBondContact O-N 3.47Å; P194-I198 VanDerWaalsContact O-N 3.07Å; I198-S200 VanDerWaalsContact C-N 3.29Å; I198-S200 PolarHBondContact O-N 3.18Å; I198-A201 WeakPolarHBondContact O-CB 3.39Å; I198-A201 PolarHBondContact O-N 3.38Å; I198-R202 WeakPolarHBondContact O-CG 3.28Å; I198-R202 PolarHBondContact O-N 3.46Å; I198-H208 HydrophobicContact CG1-CB 3.84Å; I198-D210 HydrophobicContact CD1-CB 4.08Å; I198-E211 HydrophobicContact CG2-CG 4.33Å
199E92.3Very high94.1Very high124 Ų12451.4 Ų51.458%0.57926%0.255SS*.Hα-helixtrans-65.3-35.7178.6-71.9-57.212100111.9R202 S203E199-R202 PolarHBondContact O-N 3.32Å; E199-R202 IonicContact OE1-CZ 3.71Å; E199-R202 IonicContact OE1-NH1 3.82Å; E199-R202 PolarHBondContact OE1-NH1 3.09Å; E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 2.85Å; E199-S203 PolarHBondContact O-OG 2.84Å
200S91.6Very high94.1Very high42 Ų4252.2 Ų52.229%0.29426%0.259SS..Hα-helixtrans-64.6-40.6173.2-170.70000112.3K197 I198 S203 H204K197-S200 PolarHBondContact O-N 3.29Å; I198-S200 VanDerWaalsContact C-N 3.29Å; I198-S200 PolarHBondContact O-N 3.18Å; S200-S203 PolarHBondContact O-N 3.38Å; S200-S203 PolarHBondContact O-OG 2.99Å; S200-H204 PolarHBondContact O-N 3.08Å; S200-H204 PolarHBondContact O-ND1 3.05Å
201A93.9Very high94.1Very high0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-59.6-51.8174.800000110.2F190 K197 I198 S203 H204 G205 H206 H208F190-A201 HydrophobicContact CD2-CB 3.54Å; F190-A201 HydrophobicContact CE2-CB 4.04Å; K197-A201 WeakPolarHBondContact O-CB 3.26Å; K197-A201 PolarHBondContact O-N 3.4Å; I198-A201 WeakPolarHBondContact O-CB 3.39Å; I198-A201 PolarHBondContact O-N 3.38Å; A201-S203 PolarHBondContact O-N 3.26Å; A201-H204 CarbonylContact O-C 3.57Å; A201-H204 PolarHBondContact O-N 3.49Å; A201-G205 PolarHBondContact O-N 3.05Å; A201-G205 VanDerWaalsContact O-N 3.09Å; A201-H206 CarbonylContact C-O 3.55Å; A201-H206 VanDerWaalsContact C-O 3.29Å; A201-H206 HydrophobicContact CB-CB 4.39Å; A201-H206 PolarHBondContact O-N 2.84Å; A201-H208 HydrophobicContact CB-CB 4.08Å
202R94.3Very high94.1Very high72 Ų7251.3 Ų51.327%0.27226%0.255SS..Hα-helixtrans-59.1-44.1179.4-69.4173.8178.6167.7-0.9112.7R164 I198 E199 H204 G205 E211R164-R202 PolarHBondContact NE-O 2.77Å; R164-R202 PolarHBondContact NH2-O 3.3Å; I198-R202 WeakPolarHBondContact O-CG 3.28Å; I198-R202 PolarHBondContact O-N 3.46Å; E199-R202 PolarHBondContact O-N 3.32Å; E199-R202 IonicContact OE1-CZ 3.71Å; E199-R202 IonicContact OE1-NH1 3.82Å; E199-R202 PolarHBondContact OE1-NH1 3.09Å; R202-H204 PolarHBondContact O-N 3.02Å; R202-G205 PolarHBondContact O-N 3.33Å; R202-G205 VanDerWaalsContact O-N 3.07Å; R202-E211 IonicContact CZ-OE1 2.77Å; R202-E211 VanDerWaalsContact CZ-OE1 3.28Å; R202-E211 IonicContact NE-OE1 3.67Å; R202-E211 PolarHBondContact NE-OE1 3.15Å; R202-E211 IonicContact NH2-OE1 3.05Å; R202-E211 PolarHBondContact NH2-OE1 3.11Å
203S93.3Very high94.2Very high83 Ų8350.9 Ų50.958%0.5825%0.25SS*.Hα-helixtrans-62.2-33.8-179.171.80000112.3E199 S200 A201E199-S203 WeakPolarHBondContact O-CB 3.46Å; E199-S203 PolarHBondContact O-N 2.85Å; E199-S203 PolarHBondContact O-OG 2.84Å; S200-S203 PolarHBondContact O-N 3.38Å; S200-S203 PolarHBondContact O-OG 2.99Å; A201-S203 PolarHBondContact O-N 3.26Å
204H94Very high94.3Very high109 Ų10952.1 Ų52.151%0.50525%0.253SS..Hα-helixtrans-89.8-0.1177.9-61.793.8000113.6S200 A201 R202S200-H204 PolarHBondContact O-N 3.08Å; S200-H204 PolarHBondContact O-ND1 3.05Å; A201-H204 CarbonylContact O-C 3.57Å; A201-H204 PolarHBondContact O-N 3.49Å; R202-H204 PolarHBondContact O-N 3.02Å
205G96.9Very high94.6Very high0 Ų051.7 Ų51.70%025%0.249CC..THydrogen-bonded Turntrans85.626.6177.800000115.1H135 S163 R164 A201 R202H135-G205 PolarHBondContact ND1-O 2.84Å; S163-G205 CarbonylContact C-O 3.58Å; R164-G205 VanDerWaalsContact CZ-CA 3.48Å; R164-G205 PolarHBondContact N-O 3.35Å; A201-G205 PolarHBondContact O-N 3.05Å; A201-G205 VanDerWaalsContact O-N 3.09Å; R202-G205 PolarHBondContact O-N 3.33Å; R202-G205 VanDerWaalsContact O-N 3.07Å
206H98Very high95Very high27 Ų2744.1 Ų44.113%0.12521%0.209CC..  trans-122.6166.9-173-66.2-54.8000113.2H135 D162 S163 E187 T189 A201 H229H135-H206 AromaticContact CE1-CE1 3.7Å; D162-H206 IonicContact OD2-CE1 3Å; D162-H206 PolarHBondContact OD2-CE1 2.75Å; D162-H206 VanDerWaalsContact OD2-CE1 3.32Å; D162-H206 IonicContact OD2-ND1 3.4Å; S163-H206 CarbonylContact O-C 3.33Å; E187-H206 WeakPolarHBondContact OE1-CA 3.21Å; E187-H206 IonicContact OE1-CE1 3.89Å; E187-H206 IonicContact OE1-CG 3.75Å; E187-H206 IonicContact OE1-ND1 2.8Å; E187-H206 PolarHBondContact OE1-ND1 3.43Å; E187-H206 WeakPolarHBondContact OE2-CA 3.25Å; E187-H206 VanDerWaalsContact OE2-CB 3.25Å; E187-H206 WeakPolarHBondContact OE2-CB 3.44Å; E187-H206 IonicContact OE2-CG 3.94Å; E187-H206 IonicContact OE2-ND1 3.79Å; E187-H206 PolarHBondContact OE2-ND1 2.89Å; T189-H206 HydrophobicContact CG2-CB 4.45Å; A201-H206 CarbonylContact C-O 3.55Å; A201-H206 VanDerWaalsContact C-O 3.29Å; A201-H206 HydrophobicContact CB-CB 4.39Å; A201-H206 PolarHBondContact O-N 2.84Å; H206-H229 AromaticContact CE1-CE1 3.47Å; H206-H229 PolarHBondContact CE1-CE1 3.49Å; H206-H229 VanDerWaalsContact CE1-CE1 3.47Å; H206-H229 AromaticContact ND1-CE1 3.85Å
207T98Very high95.5Very high2 Ų238.5 Ų38.51%0.01220%0.203CC..  trans-101.2137177.9-700000111.4S163 R164 F165 M186 E187 A188 T189 I212S163-T207 PolarHBondContact O-N 2.54Å; S163-T207 PolarHBondContact O-OG1 3.05Å; R164-T207 VanDerWaalsContact C-OG1 3.3Å; F165-T207 HydrophobicContact CB-CG2 4.12Å; F165-T207 HydrophobicContact CD2-CG2 3.89Å; F165-T207 HydrophobicContact CG-CG2 4.48Å; F165-T207 PolarHBondContact N-OG1 2.83Å; F165-T207 VanDerWaalsContact N-OG1 3.1Å; M186-T207 HydrophobicContact CE-CG2 4.21Å; E187-T207 PolarHBondContact OE2-N 3.18Å; A188-T207 CarbonylContact C-O 3.31Å; T189-T207 PolarHBondContact N-O 3.35Å; T207-I212 HydrophobicContact CG2-CG1 4.4Å
208H98.1Very high95.8Very high0 Ų040.2 Ų40.20%021%0.213CC..BIsolated β-bridgetrans-95.7142168.4-167.7-78.5000111F190 D192 I198 A201 D210 E211F190-H208 WeakPolarHBondContact CB-CD2 3.43Å; F190-H208 WeakPolarHBondContact O-CA 3.34Å; D192-H208 PolarHBondContact O-NE2 3.49Å; I198-H208 HydrophobicContact CG1-CB 3.84Å; A201-H208 HydrophobicContact CB-CB 4.08Å; H208-D210 VanDerWaalsContact C-N 3.26Å; H208-D210 IonicContact CE1-OD2 3.92Å; H208-D210 PolarHBondContact CE1-OD2 2.75Å; H208-D210 WeakPolarHBondContact ND1-CB 3.37Å; H208-D210 PolarHBondContact ND1-N 3.25Å; H208-D210 IonicContact ND1-OD2 3.4Å; H208-D210 PolarHBondContact O-N 2.98Å; H208-E211 HydrophobicContact CB-CG 4.3Å; H208-E211 PolarHBondContact N-OE2 2.77Å; H208-E211 WeakPolarHBondContact O-CB 3.43Å; H208-E211 PolarHBondContact O-N 2.69Å
209L97.7Very high96.1Very high0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-56.5-37.4-179.9-179.664.7000113.2A188 F190 L191 E211 I212 R213 L227 L242 M247A188-L209 HydrophobicContact CB-CD1 4.5Å; F190-L209 PolarHBondContact O-N 3.28Å; L191-L209 HydrophobicContact CB-CD2 4.41Å; L191-L209 HydrophobicContact CD2-CB 3.74Å; L191-L209 HydrophobicContact CD2-CD2 3.9Å; L191-L209 HydrophobicContact CD2-CG 4.3Å; L209-E211 PolarHBondContact O-N 2.78Å; L209-I212 HydrophobicContact CD1-CD1 4.16Å; L209-I212 WeakPolarHBondContact O-CA 3.49Å; L209-I212 VanDerWaalsContact O-CB 3.24Å; L209-I212 WeakPolarHBondContact O-CB 3.26Å; L209-I212 PolarHBondContact O-N 3.27Å; L209-R213 PolarHBondContact O-N 3.29Å; L209-R213 VanDerWaalsContact O-N 3.08Å; L209-L227 HydrophobicContact CD1-CD1 3.94Å; L209-L242 WeakPolarHBondContact CD2-O 3.36Å; L209-M247 HydrophobicContact CD1-CE 3.71Å; L209-M247 HydrophobicContact CG-CE 4.25Å
210D96.9Very high96.3Very high20 Ų2040.3 Ų40.311%0.10721%0.211CC..Hα-helixtrans-61.1-24.8175.3-80.8-55.1000114.1P194 I198 H208 I212 R213 Q214P194-D210 HydrophobicContact CB-CB 4.04Å; P194-D210 WeakPolarHBondContact CB-OD2 3.32Å; P194-D210 WeakPolarHBondContact CD-OD2 3.38Å; P194-D210 VanDerWaalsContact CG-OD2 3.24Å; P194-D210 WeakPolarHBondContact CG-OD2 3.37Å; I198-D210 HydrophobicContact CD1-CB 4.08Å; H208-D210 VanDerWaalsContact C-N 3.26Å; H208-D210 IonicContact CE1-OD2 3.92Å; H208-D210 PolarHBondContact CE1-OD2 2.75Å; H208-D210 WeakPolarHBondContact ND1-CB 3.37Å; H208-D210 PolarHBondContact ND1-N 3.25Å; H208-D210 IonicContact ND1-OD2 3.4Å; H208-D210 PolarHBondContact O-N 2.98Å; D210-I212 VanDerWaalsContact C-N 3.28Å; D210-I212 PolarHBondContact O-N 3.25Å; D210-R213 PolarHBondContact O-N 3.42Å; D210-R213 WeakPolarHBondContact OD1-CD 3.41Å; D210-R213 IonicContact OD1-CZ 3.62Å; D210-R213 IonicContact OD1-NE 3.64Å; D210-R213 IonicContact OD1-NH1 2.68Å; D210-R213 PolarHBondContact OD1-NH1 3.28Å; D210-R213 IonicContact OD2-NH1 3.65Å; D210-R213 PolarHBondContact OD2-NH1 2.82Å; D210-Q214 VanDerWaalsContact O-CB 3.31Å; D210-Q214 WeakPolarHBondContact O-CB 3.3Å; D210-Q214 WeakPolarHBondContact O-CG 3.12Å; D210-Q214 PolarHBondContact O-N 3.36Å
211E97.4Very high96.5Very high3 Ų342.3 Ų42.31%0.01422%0.224CC..Hα-helixtrans-67.4-35.2173-60.8-178.8104.600110.7F165 I198 R202 H208 L209 N215F165-E211 HydrophobicContact CB-CB 3.85Å; F165-E211 HydrophobicContact CB-CG 4.36Å; F165-E211 HydrophobicContact CD1-CB 3.89Å; F165-E211 HydrophobicContact CD2-CB 3.87Å; F165-E211 HydrophobicContact CE1-CB 4.47Å; F165-E211 HydrophobicContact CE2-CB 4.45Å; F165-E211 HydrophobicContact CG-CB 3.57Å; F165-E211 WeakPolarHBondContact CZ-O 3.37Å; I198-E211 HydrophobicContact CG2-CG 4.33Å; R202-E211 IonicContact CZ-OE1 2.77Å; R202-E211 VanDerWaalsContact CZ-OE1 3.28Å; R202-E211 IonicContact NE-OE1 3.67Å; R202-E211 PolarHBondContact NE-OE1 3.15Å; R202-E211 IonicContact NH2-OE1 3.05Å; R202-E211 PolarHBondContact NH2-OE1 3.11Å; H208-E211 HydrophobicContact CB-CG 4.3Å; H208-E211 PolarHBondContact N-OE2 2.77Å; H208-E211 WeakPolarHBondContact O-CB 3.43Å; H208-E211 PolarHBondContact O-N 2.69Å; L209-E211 PolarHBondContact O-N 2.78Å; E211-N215 WeakPolarHBondContact O-CB 3.32Å; E211-N215 PolarHBondContact O-N 3.04Å; E211-N215 PolarHBondContact O-ND2 3.44Å
212I97.6Very high96.7Very high0 Ų042.3 Ų42.30%022%0.224CC..Hα-helixtrans-64.5-47.9171.1-55.9178.7000110.1F165 M186 A188 T207 L209 D210 Q214 N215 A216 L219 L227 M247 L251F165-I212 HydrophobicContact CD2-CG1 4.26Å; F165-I212 HydrophobicContact CE2-CB 4.49Å; F165-I212 HydrophobicContact CE2-CG1 3.92Å; M186-I212 HydrophobicContact CE-CD1 3.83Å; M186-I212 HydrophobicContact CE-CG1 4.05Å; M186-I212 HydrophobicContact SD-CD1 4.1Å; A188-I212 HydrophobicContact CB-CD1 4.34Å; T207-I212 HydrophobicContact CG2-CG1 4.4Å; L209-I212 HydrophobicContact CD1-CD1 4.16Å; L209-I212 WeakPolarHBondContact O-CA 3.49Å; L209-I212 VanDerWaalsContact O-CB 3.24Å; L209-I212 WeakPolarHBondContact O-CB 3.26Å; L209-I212 PolarHBondContact O-N 3.27Å; D210-I212 VanDerWaalsContact C-N 3.28Å; D210-I212 PolarHBondContact O-N 3.25Å; I212-Q214 PolarHBondContact O-N 3.37Å; I212-N215 CarbonylContact O-C 3.53Å; I212-N215 PolarHBondContact O-N 2.93Å; I212-A216 WeakPolarHBondContact O-CA 3.44Å; I212-A216 PolarHBondContact O-N 3.34Å; I212-L219 HydrophobicContact CG2-CD1 3.62Å; I212-L227 HydrophobicContact CD1-CD1 4.45Å; I212-L227 HydrophobicContact CD1-CD2 3.72Å; I212-M247 HydrophobicContact CG2-CE 4.37Å; I212-L251 HydrophobicContact CG2-CD2 4.32Å
213R96.1Very high96.9Very high28 Ų2842.4 Ų42.411%0.10623%0.23CC..Hα-helixtrans-59-49.6179.3-64.7-172.2-171.4110.2-4.9111.8L209 D210 N215 A216 L242 K245 M247L209-R213 PolarHBondContact O-N 3.29Å; L209-R213 VanDerWaalsContact O-N 3.08Å; D210-R213 PolarHBondContact O-N 3.42Å; D210-R213 WeakPolarHBondContact OD1-CD 3.41Å; D210-R213 IonicContact OD1-CZ 3.62Å; D210-R213 IonicContact OD1-NE 3.64Å; D210-R213 IonicContact OD1-NH1 2.68Å; D210-R213 PolarHBondContact OD1-NH1 3.28Å; D210-R213 IonicContact OD2-NH1 3.65Å; D210-R213 PolarHBondContact OD2-NH1 2.82Å; R213-N215 PolarHBondContact O-N 2.98Å; R213-A216 PolarHBondContact O-N 3.32Å; R213-L242 PolarHBondContact NH2-O 3.21Å; R213-K245 VanDerWaalsContact CZ-O 3.28Å; R213-K245 PolarHBondContact NE-O 2.76Å; R213-K245 PolarHBondContact NH2-O 2.73Å; R213-M247 HydrophobicContact CG-CE 3.49Å; R213-M247 VanDerWaalsContact CG-CE 3.49Å; R213-M247 HydrophobicContact CG-SD 3.88Å
214Q95.8Very high97.2Very high121 Ų12142 Ų4257%0.56522%0.216SC*.Hα-helixtrans-66.5-22.9-177.5-70.3167.810.300113.2D210 I212D210-Q214 VanDerWaalsContact O-CB 3.31Å; D210-Q214 WeakPolarHBondContact O-CB 3.3Å; D210-Q214 WeakPolarHBondContact O-CG 3.12Å; D210-Q214 PolarHBondContact O-N 3.36Å; I212-Q214 PolarHBondContact O-N 3.37Å
215N97.1Very high97.4Very high30 Ų3036.8 Ų36.816%0.1619%0.192CC..THydrogen-bonded Turntrans-120.923.6-175.7-60-92.8000111.8F165 R169 E211 I212 R213 S217 L218F165-N215 HydrophobicContact CE1-CB 3.55Å; F165-N215 HydrophobicContact CZ-CB 3.6Å; R169-N215 PolarHBondContact NH2-ND2 3.27Å; E211-N215 WeakPolarHBondContact O-CB 3.32Å; E211-N215 PolarHBondContact O-N 3.04Å; E211-N215 PolarHBondContact O-ND2 3.44Å; I212-N215 CarbonylContact O-C 3.53Å; I212-N215 PolarHBondContact O-N 2.93Å; R213-N215 PolarHBondContact O-N 2.98Å; N215-S217 PolarHBondContact O-N 2.82Å; N215-L218 HydrophobicContact CB-CD1 3.92Å; N215-L218 HydrophobicContact CB-CG 4.31Å; N215-L218 WeakPolarHBondContact O-CB 3.32Å; N215-L218 PolarHBondContact O-N 3.37Å
216A97.1Very high97.5Very high7 Ų736.8 Ų36.86%0.05819%0.192CC..G310 helixtrans-54.1-31.9-174.200000113I212 R213 L218 L219 P248 W250 L251I212-A216 WeakPolarHBondContact O-CA 3.44Å; I212-A216 PolarHBondContact O-N 3.34Å; R213-A216 PolarHBondContact O-N 3.32Å; A216-L218 PolarHBondContact O-N 2.63Å; A216-L219 PolarHBondContact O-N 2.83Å; A216-P248 HydrophobicContact CB-CG 3.95Å; A216-W250 HydrophobicContact CB-CZ2 3.96Å; A216-W250 WeakPolarHBondContact O-CH2 3.43Å; A216-W250 VanDerWaalsContact O-CZ2 3.29Å; A216-W250 WeakPolarHBondContact O-CZ2 3.4Å; A216-L251 HydrophobicContact CB-CD2 3.7Å
217S97Very high97.5Very high94 Ų9435.5 Ų35.566%0.65719%0.186SC*.G310 helixtrans-58.6-30.2177.2550000113.9N215 L219 K220N215-S217 PolarHBondContact O-N 2.82Å; S217-L219 PolarHBondContact O-N 3.26Å; S217-K220 WeakPolarHBondContact O-CB 3.33Å; S217-K220 PolarHBondContact O-N 3.44Å
218L97.1Very high97.5Very high64 Ų6435.4 Ų35.434%0.33519%0.186SC..G310 helixtrans-65.5-26.5176.3-60.2-178.4000112I168 R169 L179 N215 A216I168-L218 HydrophobicContact CG2-CB 4.17Å; I168-L218 HydrophobicContact CG2-CD1 4.09Å; R169-L218 HydrophobicContact CG-CD1 4.18Å; L179-L218 HydrophobicContact CD1-CB 4.32Å; L179-L218 WeakPolarHBondContact CD1-O 3.4Å; N215-L218 HydrophobicContact CB-CD1 3.92Å; N215-L218 HydrophobicContact CB-CG 4.31Å; N215-L218 WeakPolarHBondContact O-CB 3.32Å; N215-L218 PolarHBondContact O-N 3.37Å; A216-L218 PolarHBondContact O-N 2.63Å
219L97.2Very high97.5Very high0 Ų035.5 Ų35.50%019%0.186CC..G310 helixtrans-97.18.2-172.8-62.3162.5000112.9I168 L179 L184 I212 A216 S217 S221 V222 I225I168-L219 HydrophobicContact CD1-CD2 4.41Å; I168-L219 HydrophobicContact CG2-CD2 4.1Å; I168-L219 HydrophobicContact CG2-CG 4.47Å; L179-L219 HydrophobicContact CD2-CD2 4.22Å; L184-L219 HydrophobicContact CD2-CD2 3.75Å; I212-L219 HydrophobicContact CG2-CD1 3.62Å; A216-L219 PolarHBondContact O-N 2.83Å; S217-L219 PolarHBondContact O-N 3.26Å; L219-S221 PolarHBondContact O-N 3.03Å; L219-V222 HydrophobicContact CD2-CG2 4.4Å; L219-V222 PolarHBondContact O-N 2.83Å; L219-V222 VanDerWaalsContact O-N 3.16Å; L219-I225 HydrophobicContact CB-CD1 3.97Å; L219-I225 HydrophobicContact CD1-CD1 3.81Å; L219-I225 HydrophobicContact CD2-CD1 4.09Å; L219-I225 HydrophobicContact CG-CD1 4.17Å
220K96.8Very high97.5Very high145 Ų14535.5 Ų35.563%0.6319%0.186SC*.THydrogen-bonded Turntrans-62.1-28-173.9-170.8175.3-179.4-179.90113.9S217 W250 R254S217-K220 WeakPolarHBondContact O-CB 3.33Å; S217-K220 PolarHBondContact O-N 3.44Å; K220-W250 HydrophobicContact CB-CH2 4.17Å; K220-W250 HydrophobicContact CB-CZ3 4.49Å; K220-R254 PolarHBondContact O-NH1 2.84Å
221S97.2Very high97.5Very high83 Ų8335.4 Ų35.458%0.5819%0.187SC*.THydrogen-bonded Turntrans-92.3-2.2-178.3-60.50000113.9L179 L219L179-S221 CarbonylContact O-C 3.12Å; L179-S221 VanDerWaalsContact O-C 3.31Å; L179-S221 VanDerWaalsContact O-CB 3.27Å; L179-S221 WeakPolarHBondContact O-CB 3.26Å; L219-S221 PolarHBondContact O-N 3.03Å
222V98Very high97.4Very high0 Ų039.5 Ų39.50%021%0.209CC..  trans-86.3129.6173.81800000109.3L179 S181 L184 L219 Y224 I225 R254L179-V222 HydrophobicContact CB-CG2 4.49Å; L179-V222 VanDerWaalsContact O-CG2 3.26Å; L179-V222 WeakPolarHBondContact O-CG2 3.31Å; L179-V222 PolarHBondContact O-N 3.02Å; S181-V222 WeakPolarHBondContact O-CA 3.25Å; L184-V222 HydrophobicContact CB-CG1 3.64Å; L184-V222 HydrophobicContact CB-CG2 4.49Å; L184-V222 HydrophobicContact CD2-CG2 4.33Å; L219-V222 HydrophobicContact CD2-CG2 4.4Å; L219-V222 PolarHBondContact O-N 2.83Å; L219-V222 VanDerWaalsContact O-N 3.16Å; V222-Y224 VanDerWaalsContact CG1-O 3.3Å; V222-Y224 WeakPolarHBondContact CG1-O 3.36Å; V222-I225 HydrophobicContact CB-CG1 4.45Å; V222-I225 HydrophobicContact CG1-CG1 3.87Å; V222-R254 WeakPolarHBondContact O-CD 3.42Å; V222-R254 PolarHBondContact O-NH1 3.33Å
223D98Very high97.3Very high74 Ų7446.7 Ų46.740%0.39624%0.236SC..SBendtrans-74-45.7-179.2-64.3-23.9000111.6R182 R254R182-D223 WeakPolarHBondContact CG-OD2 3.49Å; R182-D223 WeakPolarHBondContact O-CB 3.49Å; D223-R254 WeakPolarHBondContact O-CB 3.28Å; D223-R254 WeakPolarHBondContact O-CD 3.31Å; D223-R254 VanDerWaalsContact O-CG 3.27Å; D223-R254 WeakPolarHBondContact O-CG 3.44Å
224Y98.4Very high97.3Very high75 Ų7545.9 Ų45.929%0.29423%0.233SC..EExtended strand (participates in β ladder)trans-137.2137179.1-58.5-82000112V6 G7 R182 L183 L184 V222 R254 I256V6-Y224 HydrophobicContact CG1-CD1 3.9Å; V6-Y224 HydrophobicContact CG1-CD2 4.22Å; V6-Y224 HydrophobicContact CG1-CE1 4.48Å; V6-Y224 HydrophobicContact CG1-CG 3.73Å; G7-Y224 WeakPolarHBondContact CA-OH 3.37Å; R182-Y224 PolarHBondContact O-N 2.79Å; L183-Y224 WeakPolarHBondContact CA-O 3.24Å; L184-Y224 PolarHBondContact N-O 2.86Å; V222-Y224 VanDerWaalsContact CG1-O 3.3Å; V222-Y224 WeakPolarHBondContact CG1-O 3.36Å; Y224-R254 WeakPolarHBondContact CA-O 3.39Å; Y224-I256 HydrophobicContact CD1-CD1 3.82Å; Y224-I256 HydrophobicContact CG-CD1 4.37Å
225I98.5Very high97.3Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-113.5108.1174.6-52.7-179000108.7L184 M186 L219 V222 L227 L251 R254 I255 I256L184-I225 CarbonylContact O-C 3.5Å; L184-I225 WeakPolarHBondContact O-CA 3.06Å; M186-I225 HydrophobicContact CG-CG2 3.95Å; M186-I225 HydrophobicContact SD-CG2 3.98Å; L219-I225 HydrophobicContact CB-CD1 3.97Å; L219-I225 HydrophobicContact CD1-CD1 3.81Å; L219-I225 HydrophobicContact CD2-CD1 4.09Å; L219-I225 HydrophobicContact CG-CD1 4.17Å; V222-I225 HydrophobicContact CB-CG1 4.45Å; V222-I225 HydrophobicContact CG1-CG1 3.87Å; I225-L227 HydrophobicContact CG2-CD2 3.64Å; I225-L227 HydrophobicContact CG2-CG 4.19Å; I225-L227 PolarHBondContact O-N 3.07Å; I225-L251 HydrophobicContact CD1-CD1 3.7Å; I225-R254 PolarHBondContact N-O 3.42Å; I225-I255 HydrophobicContact CB-CG1 4.2Å; I225-I255 CarbonylContact O-C 3.56Å; I225-I255 WeakPolarHBondContact O-CA 3.5Å; I225-I256 PolarHBondContact O-N 3.18Å
226Y98.6Very high97.3Very high0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-92.1103.1177.9-163.7-96.3000109.6Q4 I11 L184 I185 M186 I228 I256 S258Q4-Y226 VanDerWaalsContact NE2-CE2 3.29Å; Q4-Y226 PolarHBondContact NE2-OH 2.95Å; I11-Y226 HydrophobicContact CB-CE2 4.42Å; I11-Y226 HydrophobicContact CD1-CD2 3.93Å; I11-Y226 HydrophobicContact CD1-CE2 4.35Å; I11-Y226 HydrophobicContact CD1-CG 4.33Å; I11-Y226 HydrophobicContact CG2-CD1 4.35Å; I11-Y226 HydrophobicContact CG2-CD2 4.32Å; I11-Y226 HydrophobicContact CG2-CE1 3.97Å; I11-Y226 HydrophobicContact CG2-CE2 3.94Å; L184-Y226 PolarHBondContact O-N 2.81Å; I185-Y226 WeakPolarHBondContact CA-O 3.39Å; I185-Y226 HydrophobicContact CG2-CD1 4.3Å; M186-Y226 PolarHBondContact N-O 2.77Å; Y226-I228 HydrophobicContact CD1-CG2 3.57Å; Y226-I228 HydrophobicContact CE1-CG2 3.68Å; Y226-I256 WeakPolarHBondContact CA-O 3.36Å; Y226-I256 HydrophobicContact CD2-CB 3.88Å; Y226-I256 HydrophobicContact CD2-CG2 3.63Å; Y226-I256 HydrophobicContact CE2-CB 4.39Å; Y226-I256 HydrophobicContact CE2-CG2 3.63Å; Y226-S258 WeakPolarHBondContact OH-CB 3.46Å; Y226-S258 PolarHBondContact OH-OG 3.03Å
227L98.6Very high97.2Very high0 Ų047.7 Ų47.70%025%0.247CC..EExtended strand (participates in β ladder)trans-84.6129.2-176.4-65.1-177.4000110.8M186 A188 L209 I212 I225 F230 I255 I256 S258M186-L227 HydrophobicContact CG-CD2 3.67Å; M186-L227 WeakPolarHBondContact O-CA 3.32Å; M186-L227 HydrophobicContact SD-CD2 4.35Å; A188-L227 HydrophobicContact CB-CD1 4.26Å; A188-L227 HydrophobicContact CB-CD2 4.21Å; L209-L227 HydrophobicContact CD1-CD1 3.94Å; I212-L227 HydrophobicContact CD1-CD1 4.45Å; I212-L227 HydrophobicContact CD1-CD2 3.72Å; I225-L227 HydrophobicContact CG2-CD2 3.64Å; I225-L227 HydrophobicContact CG2-CG 4.19Å; I225-L227 PolarHBondContact O-N 3.07Å; L227-F230 HydrophobicContact CB-CE1 4.06Å; L227-F230 HydrophobicContact CB-CZ 3.59Å; L227-F230 WeakPolarHBondContact O-CE2 3.35Å; L227-F230 WeakPolarHBondContact O-CZ 3.34Å; L227-I255 HydrophobicContact CD1-CD1 4.47Å; L227-I255 HydrophobicContact CD1-CG2 3.61Å; L227-I255 HydrophobicContact CG-CG2 4.12Å; L227-I256 PolarHBondContact N-O 2.79Å; L227-S258 WeakPolarHBondContact O-CB 3.4Å; L227-S258 PolarHBondContact O-N 3.26Å
228I98.6Very high97.2Very high0 Ų045.2 Ų45.20%023%0.226CC..EExtended strand (participates in β ladder)trans-127.2-175.2-178.864.7164.9000111.2T21 V23 Y159 I185 M186 E187 A188 Y226 F230T21-I228 HydrophobicContact CG2-CD1 4.03Å; V23-I228 HydrophobicContact CG2-CD1 4.28Å; V23-I228 HydrophobicContact CG2-CG2 4.14Å; Y159-I228 HydrophobicContact CE2-CD1 3.86Å; I185-I228 HydrophobicContact CG2-CD1 3.92Å; I185-I228 HydrophobicContact CG2-CG1 4.27Å; I185-I228 HydrophobicContact CG2-CG2 4.07Å; M186-I228 PolarHBondContact O-N 3.29Å; E187-I228 WeakPolarHBondContact CA-O 3.47Å; A188-I228 PolarHBondContact N-O 3.33Å; A188-I228 VanDerWaalsContact N-O 3.08Å; Y226-I228 HydrophobicContact CD1-CG2 3.57Å; Y226-I228 HydrophobicContact CE1-CG2 3.68Å; I228-F230 VanDerWaalsContact C-N 3.3Å; I228-F230 PolarHBondContact O-N 2.92Å
229H98.5Very high97.3Very high2 Ų242.1 Ų42.11%0.00921%0.21CC..  trans59.736.1167.7-160.8-96.2000113.7S15 A17 T21 D57 H58 D162 E187 T189 H206S15-H229 WeakPolarHBondContact OG-CA 3.5Å; S15-H229 PolarHBondContact OG-N 3.4Å; A17-H229 WeakPolarHBondContact CA-NE2 3.47Å; A17-H229 WeakPolarHBondContact CB-CE1 3.29Å; T21-H229 PolarHBondContact OG1-CD2 2.81Å; D57-H229 IonicContact OD2-NE2 3.82Å; H58-H229 AromaticContact NE2-CD2 3.89Å; H58-H229 AromaticContact NE2-NE2 3.81Å; D162-H229 IonicContact OD1-CD2 3.2Å; D162-H229 PolarHBondContact OD1-CD2 3.32Å; D162-H229 VanDerWaalsContact OD1-CD2 3.29Å; D162-H229 IonicContact OD1-CE1 3.4Å; D162-H229 IonicContact OD1-CG 3.63Å; D162-H229 IonicContact OD1-ND1 2.71Å; D162-H229 IonicContact OD1-NE2 3.22Å; D162-H229 PolarHBondContact OD1-NE2 3.15Å; D162-H229 IonicContact OD2-CE1 3.72Å; D162-H229 PolarHBondContact OD2-CE1 3.04Å; D162-H229 IonicContact OD2-NE2 3.34Å; D162-H229 PolarHBondContact OD2-NE2 3.37Å; E187-H229 HydrophobicContact CB-CB 3.63Å; T189-H229 WeakPolarHBondContact CA-O 3.38Å; T189-H229 PolarHBondContact OG1-ND1 2.84Å; T189-H229 PolarHBondContact OG1-O 2.76Å; H206-H229 AromaticContact CE1-CE1 3.47Å; H206-H229 PolarHBondContact CE1-CE1 3.49Å; H206-H229 VanDerWaalsContact CE1-CE1 3.47Å; H206-H229 AromaticContact ND1-CE1 3.85Å
230F98Very high97.3Very high0 Ų045.1 Ų45.10%023%0.225CC..BIsolated β-bridgetrans-66.2138.9175.5-54.5-69.2000110.7A17 A188 L191 L227 I228 D232 I239 P257A17-F230 PolarHBondContact N-O 3.28Å; A188-F230 HydrophobicContact CB-CE1 4.2Å; A188-F230 WeakPolarHBondContact O-CD1 3.13Å; L191-F230 HydrophobicContact CD1-CD1 3.82Å; L191-F230 HydrophobicContact CD1-CE1 4.22Å; L191-F230 HydrophobicContact CD2-CD1 3.82Å; L191-F230 HydrophobicContact CD2-CE1 3.92Å; L191-F230 HydrophobicContact CG-CD1 4.17Å; L227-F230 HydrophobicContact CB-CE1 4.06Å; L227-F230 HydrophobicContact CB-CZ 3.59Å; L227-F230 WeakPolarHBondContact O-CE2 3.35Å; L227-F230 WeakPolarHBondContact O-CZ 3.34Å; I228-F230 VanDerWaalsContact C-N 3.3Å; I228-F230 PolarHBondContact O-N 2.92Å; F230-D232 PolarHBondContact O-N 2.94Å; F230-I239 HydrophobicContact CB-CD1 3.74Å; F230-I239 HydrophobicContact CB-CG1 4.16Å; F230-I239 HydrophobicContact CD1-CG1 4.38Å; F230-I239 HydrophobicContact CD1-CG2 4Å; F230-I239 HydrophobicContact CD2-CD1 3.77Å; F230-I239 HydrophobicContact CD2-CG1 4.3Å; F230-I239 HydrophobicContact CD2-CG2 3.82Å; F230-I239 HydrophobicContact CE1-CG2 3.77Å; F230-I239 HydrophobicContact CE2-CG2 3.58Å; F230-I239 HydrophobicContact CG-CD1 3.79Å; F230-I239 HydrophobicContact CG-CG1 4.02Å; F230-I239 HydrophobicContact CG-CG2 4.01Å; F230-I239 HydrophobicContact CZ-CG2 3.54Å; F230-P257 HydrophobicContact CE2-CB 4.15Å; F230-P257 HydrophobicContact CZ-CB 3.79Å
231S96.5Very high97.3Very high17 Ų1745.6 Ų45.612%0.11922%0.223CC..  trans-57.2137.4171.9-179.40000110.9T189 R233 Y234T189-S231 VanDerWaalsContact O-CB 3.22Å; T189-S231 WeakPolarHBondContact O-CB 3.18Å; T189-S231 PolarHBondContact O-N 3.47Å; S231-R233 PolarHBondContact O-N 3.44Å; S231-R233 WeakPolarHBondContact OG-CG 3.44Å; S231-R233 PolarHBondContact OG-NE 2.94Å; S231-Y234 WeakPolarHBondContact O-CD2 3.41Å; S231-Y234 PolarHBondContact O-N 3.08Å; S231-Y234 VanDerWaalsContact O-N 3.15Å
232D95Very high97.3Very high89 Ų8942.7 Ų42.748%0.47620%0.201SC..THydrogen-bonded Turntrans-58.4-17.3-177.3-165.640.1000114.2V16 F230 Y234 K262V16-D232 HydrophobicContact CG1-CB 3.76Å; F230-D232 PolarHBondContact O-N 2.94Å; D232-Y234 PolarHBondContact O-N 3.35Å; D232-K262 PolarHBondContact O-NZ 2.67Å; D232-K262 IonicContact OD1-NZ 2.68Å; D232-K262 PolarHBondContact OD1-NZ 3.49Å
233R95Very high97.3Very high152 Ų15242.7 Ų42.757%0.57420%0.201SC*.THydrogen-bonded Turntrans-62.2-22.9176.372.4-177.262.4-140.81.5115.2S231S231-R233 PolarHBondContact O-N 3.44Å; S231-R233 WeakPolarHBondContact OG-CG 3.44Å; S231-R233 PolarHBondContact OG-NE 2.94Å
234Y96.2Very high97.2Very high10 Ų1042.8 Ų42.84%0.03920%0.199CC..SBendtrans-91.7139.1-177.8-55.1-63.8000110.1T189 F190 L191 D192 K197 S231 D232 L242 K262T189-Y234 WeakPolarHBondContact O-CE2 3.27Å; F190-Y234 WeakPolarHBondContact CA-OH 3.4Å; L191-Y234 HydrophobicContact CB-CE1 4.17Å; L191-Y234 HydrophobicContact CB-CE2 4.06Å; L191-Y234 HydrophobicContact CD1-CD2 3.86Å; L191-Y234 HydrophobicContact CD1-CE2 4.16Å; L191-Y234 HydrophobicContact CD1-CG 4.1Å; L191-Y234 HydrophobicContact CG-CD2 3.97Å; L191-Y234 HydrophobicContact CG-CE2 3.75Å; L191-Y234 PolarHBondContact N-OH 2.99Å; L191-Y234 VanDerWaalsContact N-OH 3.07Å; D192-Y234 HydrophobicContact CB-CE1 4.43Å; D192-Y234 VanDerWaalsContact OD1-CE1 3.29Å; D192-Y234 WeakPolarHBondContact OD1-CE1 3.34Å; D192-Y234 PolarHBondContact OD1-OH 3.4Å; K197-Y234 PolarHBondContact NZ-OH 3.39Å; S231-Y234 WeakPolarHBondContact O-CD2 3.41Å; S231-Y234 PolarHBondContact O-N 3.08Å; S231-Y234 VanDerWaalsContact O-N 3.15Å; D232-Y234 PolarHBondContact O-N 3.35Å; Y234-L242 HydrophobicContact CD1-CD1 4.11Å; Y234-L242 HydrophobicContact CE1-CD1 4.24Å; Y234-K262 WeakPolarHBondContact O-CE 3.4Å; Y234-K262 PolarHBondContact O-NZ 3.42Å
235T96.5Very high97Very high56 Ų5644.8 Ų44.834%0.34421%0.209SC..  trans-74.3163.5167.865.50000111.2N237 D238 I239 E266T235-N237 PolarHBondContact O-N 3.21Å; T235-D238 WeakPolarHBondContact CB-OD2 3.48Å; T235-D238 PolarHBondContact N-OD2 2.88Å; T235-D238 WeakPolarHBondContact O-CB 3.39Å; T235-D238 PolarHBondContact O-N 3.38Å; T235-D238 VanDerWaalsContact O-N 3.08Å; T235-D238 PolarHBondContact OG1-N 2.66Å; T235-D238 PolarHBondContact OG1-OD2 2.69Å; T235-I239 WeakPolarHBondContact O-CG1 3.47Å; T235-I239 PolarHBondContact O-N 3.09Å; T235-E266 VanDerWaalsContact C-OE1 3.3Å; T235-E266 WeakPolarHBondContact CA-OE1 3.44Å
236H95.9Very high96.8Very high39 Ų3950.5 Ų50.518%0.18124%0.24CC..Hα-helixtrans-56.4-37.4173.875.1-81.8000112I239 I240 V259 K262 H263 E266H236-I239 PolarHBondContact O-N 3.04Å; H236-I240 WeakPolarHBondContact O-CG1 3.39Å; H236-I240 PolarHBondContact O-N 2.87Å; H236-V259 HydrophobicContact CB-CB 4.31Å; H236-K262 HydrophobicContact CB-CB 4.1Å; H236-H263 HydrophobicContact CB-CB 4.36Å; H236-H263 AromaticContact CD2-ND1 3.91Å; H236-H263 AromaticContact NE2-ND1 3.79Å; H236-E266 IonicContact CE1-OE2 3.42Å; H236-E266 IonicContact CG-OE2 3.56Å; H236-E266 PolarHBondContact N-OE1 2.97Å; H236-E266 PolarHBondContact N-OE2 3.01Å; H236-E266 VanDerWaalsContact N-OE2 3.15Å; H236-E266 IonicContact ND1-OE2 3.7Å; H236-E266 PolarHBondContact ND1-OE2 3.27Å
237N96.4Very high96.8Very high102 Ų10250.9 Ų50.955%0.54524%0.242SC..Hα-helixtrans-69.7-38.6176.2-75.9-36.6000112.3T235 I239 R241T235-N237 PolarHBondContact O-N 3.21Å; N237-I239 VanDerWaalsContact C-N 3.34Å; N237-R241 VanDerWaalsContact O-CB 3.27Å; N237-R241 WeakPolarHBondContact O-CB 3.49Å; N237-R241 PolarHBondContact O-N 3.36Å
238D97.1Very high96.6Very high41 Ų4153 Ų5322%0.21926%0.255CS..Hα-helixtrans-62.3-43.3174.1-70.5-46.4000111.6T235 R241 L242T235-D238 WeakPolarHBondContact CB-OD2 3.48Å; T235-D238 PolarHBondContact N-OD2 2.88Å; T235-D238 WeakPolarHBondContact O-CB 3.39Å; T235-D238 PolarHBondContact O-N 3.38Å; T235-D238 VanDerWaalsContact O-N 3.08Å; T235-D238 PolarHBondContact OG1-N 2.66Å; T235-D238 PolarHBondContact OG1-OD2 2.69Å; D238-R241 PolarHBondContact O-N 3.01Å; D238-R241 IonicContact OD1-CZ 3.59Å; D238-R241 IonicContact OD1-NE 3.99Å; D238-R241 IonicContact OD1-NH2 2.68Å; D238-R241 PolarHBondContact OD1-NH2 3.43Å; D238-L242 HydrophobicContact CB-CD1 4.37Å; D238-L242 VanDerWaalsContact O-CB 3.23Å; D238-L242 WeakPolarHBondContact O-CB 3.47Å; D238-L242 WeakPolarHBondContact O-CG 3.44Å; D238-L242 PolarHBondContact O-N 3.22Å
239I98Very high96.5Very high0 Ų060 Ų600%029%0.293CS..Hα-helixtrans-58.9-53178.8-66.9164.4000110.1L191 F230 T235 H236 N237 R241 L242 C243 P257 V259 K262L191-I239 HydrophobicContact CD1-CB 4.19Å; L191-I239 HydrophobicContact CD1-CG1 3.88Å; L191-I239 HydrophobicContact CD1-CG2 4.27Å; F230-I239 HydrophobicContact CB-CD1 3.74Å; F230-I239 HydrophobicContact CB-CG1 4.16Å; F230-I239 HydrophobicContact CD1-CG1 4.38Å; F230-I239 HydrophobicContact CD1-CG2 4Å; F230-I239 HydrophobicContact CD2-CD1 3.77Å; F230-I239 HydrophobicContact CD2-CG1 4.3Å; F230-I239 HydrophobicContact CD2-CG2 3.82Å; F230-I239 HydrophobicContact CE1-CG2 3.77Å; F230-I239 HydrophobicContact CE2-CG2 3.58Å; F230-I239 HydrophobicContact CG-CD1 3.79Å; F230-I239 HydrophobicContact CG-CG1 4.02Å; F230-I239 HydrophobicContact CG-CG2 4.01Å; F230-I239 HydrophobicContact CZ-CG2 3.54Å; T235-I239 WeakPolarHBondContact O-CG1 3.47Å; T235-I239 PolarHBondContact O-N 3.09Å; H236-I239 PolarHBondContact O-N 3.04Å; N237-I239 VanDerWaalsContact C-N 3.34Å; I239-R241 PolarHBondContact O-N 3.03Å; I239-L242 PolarHBondContact O-N 3.22Å; I239-C243 VanDerWaalsContact O-CB 3.27Å; I239-C243 WeakPolarHBondContact O-CB 3.25Å; I239-C243 PolarHBondContact O-N 3.16Å; I239-C243 PolarHBondContact O-SG 3.5Å; I239-P257 HydrophobicContact CG2-CB 3.72Å; I239-V259 HydrophobicContact CB-CG1 4.06Å; I239-V259 HydrophobicContact CG2-CG1 3.72Å; I239-K262 HydrophobicContact CD1-CB 4.28Å; I239-K262 HydrophobicContact CD1-CG 3.74Å
240I97.1Very high96.3Very high63 Ų6364.3 Ų64.332%0.32331%0.309SS..Hα-helixtrans-58.1-49.8179.6-65.7168.5000110.5H236 H244 P257 V259H236-I240 WeakPolarHBondContact O-CG1 3.39Å; H236-I240 PolarHBondContact O-N 2.87Å; I240-H244 PolarHBondContact O-N 3.15Å; I240-P257 HydrophobicContact CG1-CG 4.39Å; I240-V259 HydrophobicContact CD1-CG2 4.45Å; I240-V259 HydrophobicContact CG1-CG1 4.07Å
241R97.4Very high96.2Very high154 Ų15464.3 Ų64.358%0.58131%0.309SS*.Hα-helixtrans-60.6-49-178.7179.1-179.162.9169.6-2.7111.7N237 D238 I239 H244 K245N237-R241 VanDerWaalsContact O-CB 3.27Å; N237-R241 WeakPolarHBondContact O-CB 3.49Å; N237-R241 PolarHBondContact O-N 3.36Å; D238-R241 PolarHBondContact O-N 3.01Å; D238-R241 IonicContact OD1-CZ 3.59Å; D238-R241 IonicContact OD1-NE 3.99Å; D238-R241 IonicContact OD1-NH2 2.68Å; D238-R241 PolarHBondContact OD1-NH2 3.43Å; I239-R241 PolarHBondContact O-N 3.03Å; R241-H244 PolarHBondContact O-N 2.97Å; R241-K245 WeakPolarHBondContact O-CB 3.28Å; R241-K245 PolarHBondContact O-N 3.32Å
242L97.5Very high96.2Very high22 Ų2265.3 Ų65.312%0.11531%0.314CS..Hα-helixtrans-69.9-41.4-176.2-68.9169000111L191 D192 L209 R213 Y234 D238 I239 H244 K245L191-L242 HydrophobicContact CB-CB 3.92Å; L191-L242 HydrophobicContact CB-CD1 3.68Å; L191-L242 HydrophobicContact CB-CG 4.41Å; L191-L242 HydrophobicContact CD1-CB 4.29Å; L191-L242 HydrophobicContact CD1-CD1 4.36Å; D192-L242 HydrophobicContact CB-CD1 4.22Å; D192-L242 HydrophobicContact CB-CD2 4.49Å; L209-L242 WeakPolarHBondContact CD2-O 3.36Å; R213-L242 PolarHBondContact NH2-O 3.21Å; Y234-L242 HydrophobicContact CD1-CD1 4.11Å; Y234-L242 HydrophobicContact CE1-CD1 4.24Å; D238-L242 HydrophobicContact CB-CD1 4.37Å; D238-L242 VanDerWaalsContact O-CB 3.23Å; D238-L242 WeakPolarHBondContact O-CB 3.47Å; D238-L242 WeakPolarHBondContact O-CG 3.44Å; D238-L242 PolarHBondContact O-N 3.22Å; I239-L242 PolarHBondContact O-N 3.22Å; L242-H244 PolarHBondContact O-N 2.96Å; L242-H244 VanDerWaalsContact O-N 3.17Å; L242-K245 PolarHBondContact O-N 3.48Å
243C97.3Very high96.1Very high0 Ų065.4 Ų65.40%032%0.322CS..Hα-helixtrans-56.1-32.7175.9-76.80000113.3I239 I255 P257I239-C243 VanDerWaalsContact O-CB 3.27Å; I239-C243 WeakPolarHBondContact O-CB 3.25Å; I239-C243 PolarHBondContact O-N 3.16Å; I239-C243 PolarHBondContact O-SG 3.5Å; C243-I255 HydrophobicContact CB-CG2 4.28Å; C243-P257 HydrophobicContact CB-CB 4.48Å; C243-P257 HydrophobicContact CB-CG 4.47Å
244H95.4Very high96.2Very high77 Ų7761.5 Ų61.536%0.35631%0.307SS..Hα-helixtrans-92.1-29.4179.1-59.8167.9000113.6I240 R241 L242 D246 M247 V252I240-H244 PolarHBondContact O-N 3.15Å; R241-H244 PolarHBondContact O-N 2.97Å; L242-H244 PolarHBondContact O-N 2.96Å; L242-H244 VanDerWaalsContact O-N 3.17Å; H244-D246 PolarHBondContact O-N 2.91Å; H244-M247 WeakPolarHBondContact O-CB 3.41Å; H244-M247 PolarHBondContact O-N 3.34Å; H244-V252 HydrophobicContact CB-CG1 4.39Å
245K95.4Very high96.2Very high116 Ų11661.4 Ų61.450%0.50431%0.307SS..THydrogen-bonded Turntrans-59.4130.7-179.4-171.8-169.7173.1-165.50110.5R213 R241 L242 M247R213-K245 VanDerWaalsContact CZ-O 3.28Å; R213-K245 PolarHBondContact NE-O 2.76Å; R213-K245 PolarHBondContact NH2-O 2.73Å; R241-K245 WeakPolarHBondContact O-CB 3.28Å; R241-K245 PolarHBondContact O-N 3.32Å; L242-K245 PolarHBondContact O-N 3.48Å; K245-M247 PolarHBondContact O-N 3.19Å
246D94.4Very high96.3Very high121 Ų12160.3 Ų60.365%0.64730%0.299SS*.THydrogen-bonded Turntrans57.910.1177.2-49.9-38.3000114.8H244H244-D246 PolarHBondContact O-N 2.91Å
247M97Very high96.4Very high8 Ų859.3 Ų59.34%0.03930%0.296CS..  trans-82.4138.4176.6-170.966.765.900109.3L209 I212 R213 H244 K245 D249 L251 V252 I255L209-M247 HydrophobicContact CD1-CE 3.71Å; L209-M247 HydrophobicContact CG-CE 4.25Å; I212-M247 HydrophobicContact CG2-CE 4.37Å; R213-M247 HydrophobicContact CG-CE 3.49Å; R213-M247 VanDerWaalsContact CG-CE 3.49Å; R213-M247 HydrophobicContact CG-SD 3.88Å; H244-M247 WeakPolarHBondContact O-CB 3.41Å; H244-M247 PolarHBondContact O-N 3.34Å; K245-M247 PolarHBondContact O-N 3.19Å; M247-D249 PolarHBondContact O-N 3.01Å; M247-L251 HydrophobicContact CG-CB 4.24Å; M247-L251 HydrophobicContact CG-CD2 4.37Å; M247-L251 HydrophobicContact CG-CG 4.21Å; M247-L251 HydrophobicContact SD-CB 4.44Å; M247-L251 HydrophobicContact SD-CD2 3.51Å; M247-L251 VanDerWaalsContact SD-CD2 3.51Å; M247-L251 HydrophobicContact SD-CG 3.96Å; M247-V252 HydrophobicContact CB-CG2 3.67Å; M247-V252 HydrophobicContact CG-CG2 3.85Å; M247-I255 HydrophobicContact CE-CD1 3.49Å; M247-I255 VanDerWaalsContact CE-CD1 3.49Å; M247-I255 HydrophobicContact CG-CD1 3.92Å; M247-I255 HydrophobicContact SD-CD1 3.69Å
248P96Very high96.4Very high43 Ų4354.4 Ų54.428%0.27927%0.27SS..  trans-57.1135.7176.8-26.235.3000112.2A216 W250 L251 V252A216-P248 HydrophobicContact CB-CG 3.95Å; P248-W250 PolarHBondContact O-N 3.49Å; P248-W250 VanDerWaalsContact O-N 3.09Å; P248-L251 HydrophobicContact CB-CB 4.45Å; P248-L251 WeakPolarHBondContact O-CA 3.46Å; P248-L251 WeakPolarHBondContact O-CB 3.43Å; P248-L251 PolarHBondContact O-N 3.49Å; P248-V252 PolarHBondContact O-N 3.48Å
249D94.9Very high96.3Very high148 Ų14853.9 Ų53.979%0.79127%0.268SS*.Hα-helixtrans-50.7-41.1-174.4-65.2-16.6000113.7M247 L251 V252M247-D249 PolarHBondContact O-N 3.01Å; D249-L251 PolarHBondContact O-N 3.1Å; D249-V252 PolarHBondContact O-N 3.26Å
250W95.2Very high96.2Very high92 Ų9255.8 Ų55.835%0.34828%0.28SS..Hα-helixtrans-64.5-28.1179.571.6-95.4000112.8A216 K220 P248 S253A216-W250 HydrophobicContact CB-CZ2 3.96Å; A216-W250 WeakPolarHBondContact O-CH2 3.43Å; A216-W250 VanDerWaalsContact O-CZ2 3.29Å; A216-W250 WeakPolarHBondContact O-CZ2 3.4Å; K220-W250 HydrophobicContact CB-CH2 4.17Å; K220-W250 HydrophobicContact CB-CZ3 4.49Å; P248-W250 PolarHBondContact O-N 3.49Å; P248-W250 VanDerWaalsContact O-N 3.09Å; W250-S253 PolarHBondContact O-OG 2.92Å
251L96.8Very high96.1Very high0 Ų052.8 Ų52.80%026%0.264CS..Hα-helixtrans-90.7-31.2-178.3-17554.6000111.7I212 A216 I225 M247 P248 D249 S253 R254 I255I212-L251 HydrophobicContact CG2-CD2 4.32Å; A216-L251 HydrophobicContact CB-CD2 3.7Å; I225-L251 HydrophobicContact CD1-CD1 3.7Å; M247-L251 HydrophobicContact CG-CB 4.24Å; M247-L251 HydrophobicContact CG-CD2 4.37Å; M247-L251 HydrophobicContact CG-CG 4.21Å; M247-L251 HydrophobicContact SD-CB 4.44Å; M247-L251 HydrophobicContact SD-CD2 3.51Å; M247-L251 VanDerWaalsContact SD-CD2 3.51Å; M247-L251 HydrophobicContact SD-CG 3.96Å; P248-L251 HydrophobicContact CB-CB 4.45Å; P248-L251 WeakPolarHBondContact O-CA 3.46Å; P248-L251 WeakPolarHBondContact O-CB 3.43Å; P248-L251 PolarHBondContact O-N 3.49Å; D249-L251 PolarHBondContact O-N 3.1Å; L251-S253 PolarHBondContact O-N 3.06Å; L251-R254 HydrophobicContact CD1-CB 4.38Å; L251-R254 PolarHBondContact O-N 3.44Å; L251-I255 HydrophobicContact CD1-CD1 4.35Å; L251-I255 HydrophobicContact CD1-CG1 4.19Å; L251-I255 HydrophobicContact CD2-CD1 4.26Å; L251-I255 HydrophobicContact CG-CD1 3.81Å; L251-I255 HydrophobicContact CG-CG1 4.14Å; L251-I255 PolarHBondContact O-N 3Å
252V95.6Very high96Very high38 Ų3846 Ų4623%0.2324%0.239CC..Hα-helixtrans-52.6-43.3174.6172.60000111.4H244 M247 P248 D249 R254 I255H244-V252 HydrophobicContact CB-CG1 4.39Å; M247-V252 HydrophobicContact CB-CG2 3.67Å; M247-V252 HydrophobicContact CG-CG2 3.85Å; P248-V252 PolarHBondContact O-N 3.48Å; D249-V252 PolarHBondContact O-N 3.26Å; V252-R254 PolarHBondContact O-N 3.04Å; V252-I255 PolarHBondContact O-N 3.48Å
253S93Very high95.8Very high92 Ų9249.5 Ų49.564%0.64326%0.255SS*.THydrogen-bonded Turntrans-69.9-11.5179.662.30000114.8W250 L251W250-S253 PolarHBondContact O-OG 2.92Å; L251-S253 PolarHBondContact O-N 3.06Å
254R96.4Very high95.6Very high70 Ų7052.2 Ų52.226%0.26427%0.273SS..THydrogen-bonded Turntrans-106-20.8-179.6-58.5-174.4-175.9-170.72.4112.9K220 V222 D223 Y224 I225 L251 V252K220-R254 PolarHBondContact O-NH1 2.84Å; V222-R254 WeakPolarHBondContact O-CD 3.42Å; V222-R254 PolarHBondContact O-NH1 3.33Å; D223-R254 WeakPolarHBondContact O-CB 3.28Å; D223-R254 WeakPolarHBondContact O-CD 3.31Å; D223-R254 VanDerWaalsContact O-CG 3.27Å; D223-R254 WeakPolarHBondContact O-CG 3.44Å; Y224-R254 WeakPolarHBondContact CA-O 3.39Å; I225-R254 PolarHBondContact N-O 3.42Å; L251-R254 HydrophobicContact CD1-CB 4.38Å; L251-R254 PolarHBondContact O-N 3.44Å; V252-R254 PolarHBondContact O-N 3.04Å
255I97.4Very high95.4Very high8 Ų851 Ų514%0.04127%0.268CS..EExtended strand (participates in β ladder)trans-80128.9177.7-74.3176.1000110.2I225 L227 C243 M247 L251 V252I225-I255 HydrophobicContact CB-CG1 4.2Å; I225-I255 CarbonylContact O-C 3.56Å; I225-I255 WeakPolarHBondContact O-CA 3.5Å; L227-I255 HydrophobicContact CD1-CD1 4.47Å; L227-I255 HydrophobicContact CD1-CG2 3.61Å; L227-I255 HydrophobicContact CG-CG2 4.12Å; C243-I255 HydrophobicContact CB-CG2 4.28Å; M247-I255 HydrophobicContact CE-CD1 3.49Å; M247-I255 VanDerWaalsContact CE-CD1 3.49Å; M247-I255 HydrophobicContact CG-CD1 3.92Å; M247-I255 HydrophobicContact SD-CD1 3.69Å; L251-I255 HydrophobicContact CD1-CD1 4.35Å; L251-I255 HydrophobicContact CD1-CG1 4.19Å; L251-I255 HydrophobicContact CD2-CD1 4.26Å; L251-I255 HydrophobicContact CG-CD1 3.81Å; L251-I255 HydrophobicContact CG-CG1 4.14Å; L251-I255 PolarHBondContact O-N 3Å; V252-I255 PolarHBondContact O-N 3.48Å
256I97.6Very high95.2Very high32 Ų3248.4 Ų48.416%0.16426%0.258CS..EExtended strand (participates in β ladder)trans-127.798.2-179.6-58.7163.4000107.5V6 Y224 I225 Y226 L227 S258V6-I256 HydrophobicContact CB-CD1 4.01Å; V6-I256 HydrophobicContact CG1-CD1 3.18Å; V6-I256 HydrophobicContact CG2-CD1 3.69Å; V6-I256 HydrophobicContact CG2-CG2 4.39Å; Y224-I256 HydrophobicContact CD1-CD1 3.82Å; Y224-I256 HydrophobicContact CG-CD1 4.37Å; I225-I256 PolarHBondContact O-N 3.18Å; Y226-I256 WeakPolarHBondContact CA-O 3.36Å; Y226-I256 HydrophobicContact CD2-CB 3.88Å; Y226-I256 HydrophobicContact CD2-CG2 3.63Å; Y226-I256 HydrophobicContact CE2-CB 4.39Å; Y226-I256 HydrophobicContact CE2-CG2 3.63Å; L227-I256 PolarHBondContact N-O 2.79Å; I256-S258 PolarHBondContact O-N 3.16Å
257P97.8Very high94.5Very high18 Ų1846.9 Ų46.912%0.11726%0.257CS..EExtended strand (participates in β ladder)trans-73.3126.317827.8-31.5000111.2F230 I239 I240 C243 V259F230-P257 HydrophobicContact CE2-CB 4.15Å; F230-P257 HydrophobicContact CZ-CB 3.79Å; I239-P257 HydrophobicContact CG2-CB 3.72Å; I240-P257 HydrophobicContact CG1-CG 4.39Å; C243-P257 HydrophobicContact CB-CB 4.48Å; C243-P257 HydrophobicContact CB-CG 4.47Å; P257-V259 HydrophobicContact CB-CG1 4.16Å; P257-V259 PolarHBondContact O-N 2.95Å
258S97.1Very high92.9Very high0 Ų058.9 Ų58.90%030%0.302CS..  trans-75.583.5177.4-173.10000112.2Y226 L227 I256Y226-S258 WeakPolarHBondContact OH-CB 3.46Å; Y226-S258 PolarHBondContact OH-OG 3.03Å; L227-S258 WeakPolarHBondContact O-CB 3.4Å; L227-S258 PolarHBondContact O-N 3.26Å; I256-S258 PolarHBondContact O-N 3.16Å
259V96Very high92.8Very high29 Ų2959.7 Ų59.718%0.17630%0.303CS..  trans-95.9-1.4-174.4-640000115.4H236 I239 I240 P257 A261 K262 H263H236-V259 HydrophobicContact CB-CB 4.31Å; I239-V259 HydrophobicContact CB-CG1 4.06Å; I239-V259 HydrophobicContact CG2-CG1 3.72Å; I240-V259 HydrophobicContact CD1-CG2 4.45Å; I240-V259 HydrophobicContact CG1-CG1 4.07Å; P257-V259 HydrophobicContact CB-CG1 4.16Å; P257-V259 PolarHBondContact O-N 2.95Å; V259-A261 VanDerWaalsContact C-N 3.34Å; V259-A261 PolarHBondContact O-N 3.02Å; V259-K262 PolarHBondContact O-N 3.42Å; V259-H263 WeakPolarHBondContact O-CB 3.34Å; V259-H263 PolarHBondContact O-N 3.23Å
260T95Very high92.7Very high41 Ų4155.1 Ų55.125%0.25228%0.277SS..Hα-helixtrans-52.8-48-175.7-55.40000112.8F12 W14 C264F12-T260 HydrophobicContact CE2-CG2 4.39Å; W14-T260 HydrophobicContact CE3-CG2 4.45Å; T260-C264 WeakPolarHBondContact O-CB 3.32Å; T260-C264 PolarHBondContact O-N 3.27Å; T260-C264 VanDerWaalsContact O-N 3.09Å; T260-C264 PolarHBondContact O-SG 2.89Å; T260-C264 VanDerWaalsContact O-SG 3.37Å
261A95.1Very high92.5Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-62.5-50.1-179.600000111.3W14 V16 V259 H263 C264 L265W14-A261 HydrophobicContact CD2-CB 3.59Å; W14-A261 HydrophobicContact CE3-CB 4.1Å; W14-A261 HydrophobicContact CG-CB 3.79Å; W14-A261 HydrophobicContact CZ2-CB 4.17Å; V16-A261 HydrophobicContact CG2-CB 3.68Å; V259-A261 VanDerWaalsContact C-N 3.34Å; V259-A261 PolarHBondContact O-N 3.02Å; A261-H263 PolarHBondContact O-N 3.3Å; A261-C264 PolarHBondContact O-N 2.89Å; A261-L265 WeakPolarHBondContact O-CB 3.43Å; A261-L265 VanDerWaalsContact O-CG 3.26Å; A261-L265 WeakPolarHBondContact O-CG 3.41Å; A261-L265 PolarHBondContact O-N 3.44Å
262K95.1Very high92.3Very high10 Ų1056.1 Ų56.14%0.04329%0.29CS..Hα-helixtrans-61-45-179.7-67-62.2-66.2164.10112.5V16 D232 Y234 H236 I239 V259 C264 L265 E266V16-K262 HydrophobicContact CG1-CD 4.27Å; V16-K262 HydrophobicContact CG2-CD 3.79Å; V16-K262 HydrophobicContact CG2-CG 4.25Å; D232-K262 PolarHBondContact O-NZ 2.67Å; D232-K262 IonicContact OD1-NZ 2.68Å; D232-K262 PolarHBondContact OD1-NZ 3.49Å; Y234-K262 WeakPolarHBondContact O-CE 3.4Å; Y234-K262 PolarHBondContact O-NZ 3.42Å; H236-K262 HydrophobicContact CB-CB 4.1Å; I239-K262 HydrophobicContact CD1-CB 4.28Å; I239-K262 HydrophobicContact CD1-CG 3.74Å; V259-K262 PolarHBondContact O-N 3.42Å; K262-C264 VanDerWaalsContact C-N 3.34Å; K262-C264 PolarHBondContact O-N 3.19Å; K262-L265 PolarHBondContact O-N 2.86Å; K262-E266 WeakPolarHBondContact CE-OE1 3.37Å; K262-E266 IonicContact NZ-OE1 2.8Å; K262-E266 WeakPolarHBondContact O-CB 3.49Å; K262-E266 VanDerWaalsContact O-CG 3.25Å; K262-E266 WeakPolarHBondContact O-CG 3.4Å; K262-E266 PolarHBondContact O-N 3.33Å
263H94.2Very high92.1Very high97 Ų9757.3 Ų57.345%0.44929%0.293SS..Hα-helixtrans-59.2-42.9175.1-174.666000112.5H236 V259 A261 S267H236-H263 HydrophobicContact CB-CB 4.36Å; H236-H263 AromaticContact CD2-ND1 3.91Å; H236-H263 AromaticContact NE2-ND1 3.79Å; V259-H263 WeakPolarHBondContact O-CB 3.34Å; V259-H263 PolarHBondContact O-N 3.23Å; A261-H263 PolarHBondContact O-N 3.3Å; H263-S267 PolarHBondContact O-N 3.03Å; H263-S267 PolarHBondContact O-OG 3.41Å
264C93.2Very high92Very high57 Ų5754.9 Ų54.939%0.38527%0.27SS..Hα-helixtrans-70-35.5177.5-72.50000113.9W14 T260 A261 K262W14-C264 HydrophobicContact CH2-CB 3.9Å; W14-C264 HydrophobicContact CZ3-CB 4.07Å; T260-C264 WeakPolarHBondContact O-CB 3.32Å; T260-C264 PolarHBondContact O-N 3.27Å; T260-C264 VanDerWaalsContact O-N 3.09Å; T260-C264 PolarHBondContact O-SG 2.89Å; T260-C264 VanDerWaalsContact O-SG 3.37Å; A261-C264 PolarHBondContact O-N 2.89Å; K262-C264 VanDerWaalsContact C-N 3.34Å; K262-C264 PolarHBondContact O-N 3.19Å
265L91Very high91.7Very high50 Ų5053.9 Ų53.926%0.26227%0.27SS..Hα-helixtrans-78.3-31.4-178.4-69170.6000112.5W14 V16 A261 K262W14-L265 HydrophobicContact CZ2-CG 4.45Å; V16-L265 HydrophobicContact CG2-CD1 4.07Å; A261-L265 WeakPolarHBondContact O-CB 3.43Å; A261-L265 VanDerWaalsContact O-CG 3.26Å; A261-L265 WeakPolarHBondContact O-CG 3.41Å; A261-L265 PolarHBondContact O-N 3.44Å; K262-L265 PolarHBondContact O-N 2.86Å
266E89.9Confident91.2Very high62 Ų6257.4 Ų57.429%0.2929%0.288SS..Hα-helixtrans-79.1-19.4177.6-71.8164.8-144.800113.9T235 H236 K262 R268T235-E266 VanDerWaalsContact C-OE1 3.3Å; T235-E266 WeakPolarHBondContact CA-OE1 3.44Å; H236-E266 IonicContact CE1-OE2 3.42Å; H236-E266 IonicContact CG-OE2 3.56Å; H236-E266 PolarHBondContact N-OE1 2.97Å; H236-E266 PolarHBondContact N-OE2 3.01Å; H236-E266 VanDerWaalsContact N-OE2 3.15Å; H236-E266 IonicContact ND1-OE2 3.7Å; H236-E266 PolarHBondContact ND1-OE2 3.27Å; K262-E266 WeakPolarHBondContact CE-OE1 3.37Å; K262-E266 IonicContact NZ-OE1 2.8Å; K262-E266 WeakPolarHBondContact O-CB 3.49Å; K262-E266 VanDerWaalsContact O-CG 3.25Å; K262-E266 WeakPolarHBondContact O-CG 3.4Å; K262-E266 PolarHBondContact O-N 3.33Å; E266-R268 PolarHBondContact O-N 3.22Å
267S79.9Confident90.7Very high89 Ų8959.5 Ų59.562%0.62230%0.298SS*.THydrogen-bonded Turntrans-80.615.8178.9-58.30000113.3H263H263-S267 PolarHBondContact O-N 3.03Å; H263-S267 PolarHBondContact O-OG 3.41Å
268R64.3Low90.1Very high261 Ų26163.3 Ų63.399%0.98532%0.315SS*.  trans-113.30-179.2-65.4-175.6178.7-1690.5110.4E266E266-R268 PolarHBondContact O-N 3.22Å

Retrieved 268 of 268 residues in 566.1 ms (Link to these results)

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