A0A077YZV4_TRITR Loading...

Peptidyl-prolyl cis-trans isomerase

PPIases accelerate the folding of proteins. It catalyzes the cis-trans isomerization of proline imidic peptide bonds in oligopeptides.

AlphaFold DB , UniProt , Accession A0A077YZV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 173 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
1M49.8Very low90.6Very high244 Ų24463.1 Ų63.1100%1.20235%0.354SS*.  0129.20-73.9-173.9-90.700107.2
2A69.4Low91.3Very high102 Ų10259 Ų5984%0.84333%0.332SS*.PPolyproline II helixtrans-66135.6176.300000109.2
3S89.8Confident91.9Very high109 Ų10956.2 Ų56.276%0.76232%0.315SS*.PPolyproline II helixtrans-66.2145.3174.7520000110.3
4R97.2Very high92.3Very high78 Ų7853.6 Ų53.629%0.29431%0.308SS..PPolyproline II helixtrans-59.2133.9172.6-77176.1176.6169.50.4110.5E24 L25 F26 D28R4-E24 HydrophobicContact CB-CG 3.55Å; R4-E24 VanDerWaalsContact CD-CD 3.45Å; R4-E24 WeakPolarHBondContact CD-OE2 3.28Å; R4-E24 HydrophobicContact CG-CG 4.31Å; R4-E24 IonicContact CZ-OE2 2.7Å; R4-E24 IonicContact NE-OE2 3.86Å; R4-E24 IonicContact NH1-OE2 3.43Å; R4-E24 PolarHBondContact NH1-OE2 3.04Å; R4-L25 VanDerWaalsContact CB-O 3.28Å; R4-L25 WeakPolarHBondContact CB-O 3.2Å; R4-L25 WeakPolarHBondContact CG-O 3.29Å; R4-F26 VanDerWaalsContact CZ-CD1 3.5Å; R4-D28 IonicContact CZ-OD1 2.76Å; R4-D28 IonicContact CZ-OD2 3.73Å; R4-D28 IonicContact NE-OD1 3.45Å; R4-D28 PolarHBondContact NE-OD1 2.85Å; R4-D28 IonicContact NE-OD2 2.74Å; R4-D28 PolarHBondContact NE-OD2 3Å; R4-D28 IonicContact NH2-OD1 3.55Å; R4-D28 PolarHBondContact NH2-OD1 2.7Å; R4-D28 IonicContact NH2-OD2 3.6Å; R4-D28 PolarHBondContact NH2-OD2 2.85Å
5P98Very high92.6Very high25 Ų2561.9 Ų61.916%0.16235%0.351CS..PPolyproline II helixtrans-59.6139.2174.9-22.431.8000111L25 S27 R38P5-L25 HydrophobicContact CB-CB 4.47Å; P5-L25 HydrophobicContact CB-CD1 4.38Å; P5-L25 PolarHBondContact O-N 3.41Å; P5-S27 WeakPolarHBondContact CD-OG 3.49Å; P5-R38 HydrophobicContact CB-CG 4.42Å
6K98.5Very high92.9Very high82 Ų8268.5 Ų68.536%0.35738%0.375SS..EExtended strand (participates in β ladder)trans-109.9131.8168.1-68.7-175.4179.8-176.90109.7V22 I23 E24 Q171 L172K6-V22 HydrophobicContact CB-CG1 4.28Å; K6-V22 HydrophobicContact CD-CG1 4.41Å; K6-I23 CarbonylContact C-O 3.52Å; K6-I23 WeakPolarHBondContact CA-O 3.46Å; K6-E24 HydrophobicContact CG-CB 4.45Å; K6-Q171 WeakPolarHBondContact O-CG 3.32Å; K6-L172 HydrophobicContact CB-CB 4.24Å; K6-L172 HydrophobicContact CB-CD1 4.24Å; K6-L172 PolarHBondContact O-N 2.81Å
7V98.8Very high93.2Very high0 Ų070.8 Ų70.80%040%0.397CS..EExtended strand (participates in β ladder)trans-120.5162.7175.3-63.10000109.9V22 I23 L25 F37 R38 C41 G170 Q171V7-V22 WeakPolarHBondContact O-CA 3.38Å; V7-I23 HydrophobicContact CG2-CB 3.96Å; V7-I23 PolarHBondContact N-O 3.27Å; V7-I23 PolarHBondContact O-N 2.84Å; V7-L25 HydrophobicContact CG1-CD1 3.9Å; V7-L25 HydrophobicContact CG2-CD1 4.18Å; V7-L25 HydrophobicContact CG2-CD2 4.08Å; V7-L25 HydrophobicContact CG2-CG 4.19Å; V7-F37 HydrophobicContact CG2-CD1 4.04Å; V7-F37 HydrophobicContact CG2-CE1 3.79Å; V7-R38 HydrophobicContact CG1-CG 4.21Å; V7-C41 HydrophobicContact CB-CB 4.09Å; V7-C41 HydrophobicContact CG1-CB 4.03Å; V7-G170 CarbonylContact C-O 3.24Å; V7-G170 WeakPolarHBondContact CA-O 3.47Å; V7-G170 VanDerWaalsContact CB-O 3.29Å; V7-G170 WeakPolarHBondContact CB-O 3.46Å; V7-Q171 HydrophobicContact CG1-CB 4.34Å
8F98.9Very high93.5Very high21 Ų2168.4 Ų68.49%0.09239%0.388CS..EExtended strand (participates in β ladder)trans-133153.3178.872.4-89.8000112.5R20 I21 C169 G170 L172F8-R20 HydrophobicContact CB-CG 4.08Å; F8-I21 CarbonylContact C-O 3.54Å; F8-I21 WeakPolarHBondContact CA-O 3.38Å; F8-I21 WeakPolarHBondContact CB-O 3.22Å; F8-C169 VanDerWaalsContact O-CA 3.24Å; F8-C169 WeakPolarHBondContact O-CA 3.37Å; F8-C169 WeakPolarHBondContact O-CB 3.5Å; F8-G170 WeakPolarHBondContact CD1-O 3.24Å; F8-G170 VanDerWaalsContact CE1-CA 3.46Å; F8-G170 PolarHBondContact N-O 3.29Å; F8-G170 PolarHBondContact O-N 3.2Å; F8-L172 HydrophobicContact CD1-CD2 3.62Å; F8-L172 HydrophobicContact CD1-CG 4.09Å; F8-L172 HydrophobicContact CE1-CD2 4.25Å; F8-L172 HydrophobicContact CG-CD2 4.35Å
9F98.9Very high93.8Very high0 Ų066.3 Ų66.30%038%0.383CS..EExtended strand (participates in β ladder)trans-123.3126.9164.6-63.1-32.3000109.7I11 R20 I21 I23 F37 C41 Y56 F61 F120 I166 C169F9-I11 HydrophobicContact CB-CD1 3.77Å; F9-I11 HydrophobicContact CB-CG1 4.34Å; F9-R20 CarbonylContact O-C 3.49Å; F9-R20 VanDerWaalsContact O-CA 3.28Å; F9-R20 WeakPolarHBondContact O-CA 3.49Å; F9-I21 PolarHBondContact N-O 3.44Å; F9-I21 PolarHBondContact O-N 2.78Å; F9-I23 HydrophobicContact CD2-CD1 3.98Å; F9-I23 HydrophobicContact CE2-CD1 3.81Å; F9-F37 HydrophobicContact CE1-CZ 4.42Å; F9-F37 HydrophobicContact CE2-CE1 4.35Å; F9-F37 AromaticContact CE2-CZ 3.73Å; F9-F37 HydrophobicContact CE2-CZ 3.73Å; F9-F37 AromaticContact CZ-CE1 3.79Å; F9-F37 HydrophobicContact CZ-CE1 3.79Å; F9-F37 HydrophobicContact CZ-CE2 4.25Å; F9-F37 AromaticContact CZ-CZ 3.34Å; F9-F37 HydrophobicContact CZ-CZ 3.34Å; F9-C41 VanDerWaalsContact CE1-SG 3.6Å; F9-Y56 AromaticContact CE1-CD2 3.89Å; F9-Y56 HydrophobicContact CE1-CD2 3.89Å; F9-Y56 HydrophobicContact CE1-CG 4.42Å; F9-Y56 AromaticContact CZ-CD2 3.86Å; F9-Y56 HydrophobicContact CZ-CD2 3.86Å; F9-Y56 HydrophobicContact CZ-CE2 4.33Å; F9-Y56 HydrophobicContact CZ-CG 4.46Å; F9-F61 HydrophobicContact CD2-CZ 4.48Å; F9-F120 HydrophobicContact CD2-CZ 4.47Å; F9-F120 HydrophobicContact CE2-CE1 4.29Å; F9-F120 AromaticContact CE2-CE2 3.82Å; F9-F120 HydrophobicContact CE2-CE2 3.82Å; F9-F120 AromaticContact CE2-CZ 3.43Å; F9-F120 HydrophobicContact CE2-CZ 3.43Å; F9-F120 VanDerWaalsContact CE2-CZ 3.43Å; F9-F120 HydrophobicContact CZ-CE1 4.19Å; F9-F120 HydrophobicContact CZ-CE2 4.48Å; F9-F120 AromaticContact CZ-CZ 3.77Å; F9-F120 HydrophobicContact CZ-CZ 3.77Å; F9-I166 HydrophobicContact CB-CG1 4.5Å; F9-I166 HydrophobicContact CB-CG2 4.19Å; F9-I166 HydrophobicContact CD1-CD1 4.17Å; F9-I166 HydrophobicContact CD1-CG1 4.48Å; F9-I166 HydrophobicContact CD1-CG2 3.74Å; F9-I166 HydrophobicContact CD2-CD1 4.12Å; F9-I166 HydrophobicContact CD2-CG1 4.47Å; F9-I166 HydrophobicContact CE1-CD1 4.1Å; F9-I166 HydrophobicContact CE1-CG2 4.36Å; F9-I166 HydrophobicContact CE2-CD1 4.04Å; F9-I166 HydrophobicContact CG-CD1 4.17Å; F9-I166 HydrophobicContact CG-CG1 4.26Å; F9-I166 HydrophobicContact CG-CG2 4.12Å; F9-I166 HydrophobicContact CZ-CD1 4.02Å; F9-C169 HydrophobicContact CD1-CB 3.53Å; F9-C169 HydrophobicContact CE1-CB 3.85Å
10D98.8Very high94Very high33 Ų3368.3 Ų68.318%0.17638%0.383CS..EExtended strand (participates in β ladder)trans-88.4123.1163.1-65.3-38.2000107.8R20 I166 V167 N168D10-R20 VanDerWaalsContact CG-NH2 3.33Å; D10-R20 IonicContact OD1-CZ 3.27Å; D10-R20 VanDerWaalsContact OD1-CZ 3.27Å; D10-R20 IonicContact OD1-NE 3.95Å; D10-R20 PolarHBondContact OD1-NE 3.32Å; D10-R20 IonicContact OD1-NH2 3Å; D10-R20 PolarHBondContact OD1-NH2 3.02Å; D10-R20 IonicContact OD2-CZ 3.83Å; D10-R20 IonicContact OD2-NE 3.62Å; D10-R20 IonicContact OD2-NH2 2.85Å; D10-R20 PolarHBondContact OD2-NH2 3.46Å; D10-I166 CarbonylContact O-C 3.48Å; D10-I166 WeakPolarHBondContact O-CA 3.42Å; D10-V167 HydrophobicContact CB-CG2 3.81Å; D10-V167 VanDerWaalsContact O-CG2 3.26Å; D10-V167 WeakPolarHBondContact O-CG2 3.36Å; D10-V167 PolarHBondContact O-N 2.83Å; D10-N168 HydrophobicContact CB-CB 4.04Å; D10-N168 PolarHBondContact N-O 3.2Å
11I98.9Very high94.3Very high0 Ų065 Ų650%037%0.365CS..EExtended strand (participates in β ladder)trans-109138-171.3-57.7-60000110.6F9 I13 A18 G19 I21 F61 V146 M150 V164 K165 I166F9-I11 HydrophobicContact CB-CD1 3.77Å; F9-I11 HydrophobicContact CB-CG1 4.34Å; I11-I13 HydrophobicContact CG2-CG1 4.45Å; I11-A18 HydrophobicContact CB-CB 4.4Å; I11-A18 HydrophobicContact CG2-CB 4.11Å; I11-A18 PolarHBondContact O-N 3.43Å; I11-G19 PolarHBondContact N-O 2.8Å; I11-I21 HydrophobicContact CD1-CD1 4.26Å; I11-I21 HydrophobicContact CG1-CD1 3.76Å; I11-I21 HydrophobicContact CG1-CG1 4.17Å; I11-F61 HydrophobicContact CD1-CE2 3.79Å; I11-V146 HydrophobicContact CB-CG1 3.89Å; I11-V146 HydrophobicContact CG1-CG1 4Å; I11-V146 HydrophobicContact CG2-CG1 4.26Å; I11-M150 HydrophobicContact CD1-SD 4.41Å; I11-M150 HydrophobicContact CG1-SD 4.11Å; I11-M150 HydrophobicContact CG2-CG 4.01Å; I11-M150 HydrophobicContact CG2-SD 4.01Å; I11-V164 HydrophobicContact CG2-CG1 3.92Å; I11-K165 WeakPolarHBondContact CA-O 3.36Å; I11-I166 HydrophobicContact CD1-CG1 3.92Å
12S98.8Very high96.6Very high14 Ų1453.5 Ų53.510%0.09831%0.309CS..EExtended strand (participates in β ladder)trans-112.8151160.475.60000111.5G14 K16 V164 K165 V167S12-G14 PolarHBondContact OG-O 2.84Å; S12-K16 CarbonylContact C-O 3.52Å; S12-K16 WeakPolarHBondContact CA-O 3.16Å; S12-K16 WeakPolarHBondContact CB-O 3.39Å; S12-V164 WeakPolarHBondContact O-CA 3.49Å; S12-K165 PolarHBondContact N-O 2.87Å; S12-K165 PolarHBondContact O-N 3.49Å; S12-V167 WeakPolarHBondContact OG-CG1 3.25Å
13I98.8Very high98Very high22 Ų2248.7 Ų48.711%0.11327%0.268CS..EExtended strand (participates in β ladder)trans-123.5109.3171.6-62.5171.9000107.9I11 D15 K16 A18 N149 M150 Q153 K162 E163 V164I11-I13 HydrophobicContact CG2-CG1 4.45Å; I13-D15 PolarHBondContact O-N 2.84Å; I13-K16 PolarHBondContact N-O 2.85Å; I13-K16 PolarHBondContact O-N 2.86Å; I13-A18 HydrophobicContact CB-CB 4.43Å; I13-A18 HydrophobicContact CD1-CB 3.69Å; I13-A18 HydrophobicContact CG1-CB 3.74Å; I13-N149 HydrophobicContact CD1-CB 3.97Å; I13-M150 HydrophobicContact CD1-CG 4.42Å; I13-Q153 HydrophobicContact CD1-CG 4.42Å; I13-Q153 HydrophobicContact CG2-CG 3.62Å; I13-K162 HydrophobicContact CG2-CB 4.06Å; I13-K162 HydrophobicContact CG2-CD 4.15Å; I13-E163 CarbonylContact C-O 3.53Å; I13-E163 WeakPolarHBondContact CA-O 3.39Å; I13-V164 HydrophobicContact CG1-CG1 4.5Å; I13-V164 HydrophobicContact CG1-CG2 4.24Å
14G98.2Very high98.4Very high21 Ų2145.7 Ų45.722%0.21624%0.243CC..THydrogen-bonded Turntrans55.4-131.3-159.700000109.8S12 K16 E163S12-G14 PolarHBondContact OG-O 2.84Å; G14-K16 VanDerWaalsContact C-N 3.31Å; G14-K16 PolarHBondContact O-N 3.33Å; G14-E163 PolarHBondContact N-O 2.92Å
15D95.8Very high98.5Very high177 Ų17742 Ų4295%0.94723%0.229SC*.THydrogen-bonded Turntrans-88.67.5-178-49.6-50.9000114I13I13-D15 PolarHBondContact O-N 2.84Å
16K98.1Very high98.5Very high168 Ų16842 Ų4273%0.7323%0.226SC*.EExtended strand (participates in β ladder)trans-109.3133-176.7-65.4-172179-173.50111.1S12 I13 G14 A18S12-K16 CarbonylContact C-O 3.52Å; S12-K16 WeakPolarHBondContact CA-O 3.16Å; S12-K16 WeakPolarHBondContact CB-O 3.39Å; I13-K16 PolarHBondContact N-O 2.85Å; I13-K16 PolarHBondContact O-N 2.86Å; G14-K16 VanDerWaalsContact C-N 3.31Å; G14-K16 PolarHBondContact O-N 3.33Å; K16-A18 PolarHBondContact O-N 2.97Å
17S98.3Very high98.5Very high108 Ų10839.9 Ų39.976%0.75522%0.222SC*.EExtended strand (participates in β ladder)trans-59.9130.8166.2-175.40000109.8
18A98.5Very high98.4Very high28 Ų2844.7 Ų44.723%0.23125%0.247CC..EExtended strand (participates in β ladder)trans-106.8-15.4-17900000112.9I11 I13 K16 V146I11-A18 HydrophobicContact CB-CB 4.4Å; I11-A18 HydrophobicContact CG2-CB 4.11Å; I11-A18 PolarHBondContact O-N 3.43Å; I13-A18 HydrophobicContact CB-CB 4.43Å; I13-A18 HydrophobicContact CD1-CB 3.69Å; I13-A18 HydrophobicContact CG1-CB 3.74Å; K16-A18 PolarHBondContact O-N 2.97Å; A18-V146 HydrophobicContact CB-CG1 4.27Å
19G98.7Very high98.4Very high28 Ų2845.4 Ų45.429%0.28925%0.253SS..EExtended strand (participates in β ladder)trans122.6-169.4177.700000113I11I11-G19 PolarHBondContact N-O 2.8Å
20R98.8Very high98.3Very high105 Ų10545.4 Ų45.440%0.39625%0.253SS..EExtended strand (participates in β ladder)trans-111141.1-179.1175.4170-71.2-170.8-3.5111F8 F9 D10 V22 G143F8-R20 HydrophobicContact CB-CG 4.08Å; F9-R20 CarbonylContact O-C 3.49Å; F9-R20 VanDerWaalsContact O-CA 3.28Å; F9-R20 WeakPolarHBondContact O-CA 3.49Å; D10-R20 VanDerWaalsContact CG-NH2 3.33Å; D10-R20 IonicContact OD1-CZ 3.27Å; D10-R20 VanDerWaalsContact OD1-CZ 3.27Å; D10-R20 IonicContact OD1-NE 3.95Å; D10-R20 PolarHBondContact OD1-NE 3.32Å; D10-R20 IonicContact OD1-NH2 3Å; D10-R20 PolarHBondContact OD1-NH2 3.02Å; D10-R20 IonicContact OD2-CZ 3.83Å; D10-R20 IonicContact OD2-NE 3.62Å; D10-R20 IonicContact OD2-NH2 2.85Å; D10-R20 PolarHBondContact OD2-NH2 3.46Å; R20-V22 HydrophobicContact CG-CG2 4.22Å; R20-G143 WeakPolarHBondContact O-CA 3.26Å
21I98.9Very high98.3Very high0 Ų047 Ų470%027%0.266CS..EExtended strand (participates in β ladder)trans-107133.2166.6-56.3170.6000107.4F8 F9 I11 I23 V140 E142 V146 V147 M150F8-I21 CarbonylContact C-O 3.54Å; F8-I21 WeakPolarHBondContact CA-O 3.38Å; F8-I21 WeakPolarHBondContact CB-O 3.22Å; F9-I21 PolarHBondContact N-O 3.44Å; F9-I21 PolarHBondContact O-N 2.78Å; I11-I21 HydrophobicContact CD1-CD1 4.26Å; I11-I21 HydrophobicContact CG1-CD1 3.76Å; I11-I21 HydrophobicContact CG1-CG1 4.17Å; I21-I23 HydrophobicContact CG2-CD1 4.36Å; I21-I23 HydrophobicContact CG2-CG1 3.87Å; I21-V140 HydrophobicContact CG2-CB 4.43Å; I21-V140 HydrophobicContact CG2-CG1 3.73Å; I21-V140 HydrophobicContact CG2-CG2 3.91Å; I21-E142 WeakPolarHBondContact CA-O 3.35Å; I21-V146 HydrophobicContact CD1-CB 4.47Å; I21-V146 HydrophobicContact CD1-CG1 4.2Å; I21-V146 HydrophobicContact CG1-CB 3.93Å; I21-V146 HydrophobicContact CG1-CG1 3.95Å; I21-V147 HydrophobicContact CD1-CG2 3.7Å; I21-V147 HydrophobicContact CG1-CG2 4.18Å; I21-V147 HydrophobicContact CG2-CG2 4.37Å; I21-M150 HydrophobicContact CD1-SD 3.61Å
22V98.8Very high98.3Very high3 Ų353.3 Ų53.32%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-112133.2169.2-175.90000108.7K6 V7 R20 V140 V141 E142 L172K6-V22 HydrophobicContact CB-CG1 4.28Å; K6-V22 HydrophobicContact CD-CG1 4.41Å; V7-V22 WeakPolarHBondContact O-CA 3.38Å; R20-V22 HydrophobicContact CG-CG2 4.22Å; V22-V140 CarbonylContact O-C 3.58Å; V22-V140 WeakPolarHBondContact O-CA 3.48Å; V22-V141 HydrophobicContact CB-CG2 3.99Å; V22-V141 HydrophobicContact CG1-CG2 3.67Å; V22-V141 WeakPolarHBondContact O-CG2 3.48Å; V22-V141 PolarHBondContact O-N 2.88Å; V22-E142 HydrophobicContact CB-CB 3.85Å; V22-E142 HydrophobicContact CB-CG 4.22Å; V22-E142 HydrophobicContact CG2-CB 3.95Å; V22-E142 HydrophobicContact CG2-CG 4.38Å; V22-E142 PolarHBondContact N-O 2.91Å; V22-E142 PolarHBondContact O-N 3.37Å; V22-L172 HydrophobicContact CG1-CD1 3.58Å; V22-L172 HydrophobicContact CG2-CD1 4.09Å
23I98.8Very high98.3Very high0 Ų052.6 Ų52.60%029%0.285CS..EExtended strand (participates in β ladder)trans-125.7126.7-174.9-50.9169.5000108.5K6 V7 F9 I21 L25 F37 L106 A139 V140K6-I23 CarbonylContact C-O 3.52Å; K6-I23 WeakPolarHBondContact CA-O 3.46Å; V7-I23 HydrophobicContact CG2-CB 3.96Å; V7-I23 PolarHBondContact N-O 3.27Å; V7-I23 PolarHBondContact O-N 2.84Å; F9-I23 HydrophobicContact CD2-CD1 3.98Å; F9-I23 HydrophobicContact CE2-CD1 3.81Å; I21-I23 HydrophobicContact CG2-CD1 4.36Å; I21-I23 HydrophobicContact CG2-CG1 3.87Å; I23-L25 HydrophobicContact CG2-CD2 3.98Å; I23-F37 HydrophobicContact CD1-CE1 4.2Å; I23-F37 HydrophobicContact CD1-CZ 4.25Å; I23-L106 HydrophobicContact CD1-CD2 4.32Å; I23-L106 HydrophobicContact CG2-CB 4.33Å; I23-L106 HydrophobicContact CG2-CD2 3.53Å; I23-A139 CarbonylContact C-O 3.54Å; I23-A139 WeakPolarHBondContact CA-O 3.41Å; I23-A139 WeakPolarHBondContact CG2-O 3.38Å; I23-V140 HydrophobicContact CG1-CG2 4.35Å
24E98.6Very high98.3Very high47 Ų4751.6 Ų51.622%0.2228%0.28CS..EExtended strand (participates in β ladder)trans-87.1131.8167.7-176.7179.8-95.700109.9R4 K6 G138 A139 V141R4-E24 HydrophobicContact CB-CG 3.55Å; R4-E24 VanDerWaalsContact CD-CD 3.45Å; R4-E24 WeakPolarHBondContact CD-OE2 3.28Å; R4-E24 HydrophobicContact CG-CG 4.31Å; R4-E24 IonicContact CZ-OE2 2.7Å; R4-E24 IonicContact NE-OE2 3.86Å; R4-E24 IonicContact NH1-OE2 3.43Å; R4-E24 PolarHBondContact NH1-OE2 3.04Å; K6-E24 HydrophobicContact CG-CB 4.45Å; E24-G138 CarbonylContact O-C 3.43Å; E24-G138 WeakPolarHBondContact O-CA 3.48Å; E24-A139 PolarHBondContact N-O 3.11Å; E24-A139 PolarHBondContact O-N 3.1Å; E24-V141 HydrophobicContact CB-CG1 3.72Å
25L98.7Very high98.3Very high0 Ų053.6 Ų53.60%028%0.283CS..EExtended strand (participates in β ladder)trans-100.9131.5-179.4-53.3-178.3000110.8R4 P5 V7 I23 S27 A34 F37 R38 L106 F137R4-L25 VanDerWaalsContact CB-O 3.28Å; R4-L25 WeakPolarHBondContact CB-O 3.2Å; R4-L25 WeakPolarHBondContact CG-O 3.29Å; P5-L25 HydrophobicContact CB-CB 4.47Å; P5-L25 HydrophobicContact CB-CD1 4.38Å; P5-L25 PolarHBondContact O-N 3.41Å; V7-L25 HydrophobicContact CG1-CD1 3.9Å; V7-L25 HydrophobicContact CG2-CD1 4.18Å; V7-L25 HydrophobicContact CG2-CD2 4.08Å; V7-L25 HydrophobicContact CG2-CG 4.19Å; I23-L25 HydrophobicContact CG2-CD2 3.98Å; L25-S27 PolarHBondContact O-N 3.15Å; L25-A34 HydrophobicContact CB-CB 4Å; L25-F37 HydrophobicContact CD1-CD1 4.18Å; L25-F37 HydrophobicContact CD2-CD1 3.76Å; L25-F37 HydrophobicContact CD2-CE1 4.28Å; L25-F37 HydrophobicContact CD2-CG 4.48Å; L25-R38 HydrophobicContact CD1-CB 3.8Å; L25-R38 HydrophobicContact CD1-CG 4.42Å; L25-L106 HydrophobicContact CD2-CD2 3.98Å; L25-F137 HydrophobicContact CD2-CD2 4.33Å; L25-F137 HydrophobicContact CD2-CE2 4.33Å
26F98.2Very high98.4Very high26 Ų2645.1 Ų45.111%0.11424%0.238CC..  trans-81.857.6-175.7-54.2-35.8000112.2R4 D28 V29 V30 L98 V136 F137 G138 A139R4-F26 VanDerWaalsContact CZ-CD1 3.5Å; F26-D28 VanDerWaalsContact C-OD1 3.31Å; F26-D28 PolarHBondContact O-N 2.9Å; F26-D28 VanDerWaalsContact O-N 3.16Å; F26-V29 HydrophobicContact CB-CB 4.47Å; F26-V29 PolarHBondContact O-N 3.32Å; F26-V30 HydrophobicContact CB-CG2 4.29Å; F26-V30 WeakPolarHBondContact O-CG2 3.39Å; F26-V30 PolarHBondContact O-N 3.11Å; F26-L98 HydrophobicContact CB-CD1 4.05Å; F26-L98 HydrophobicContact CD2-CD1 3.25Å; F26-L98 HydrophobicContact CE2-CD1 3.92Å; F26-L98 HydrophobicContact CG-CD1 3.96Å; F26-V136 HydrophobicContact CD2-CG1 4.43Å; F26-V136 HydrophobicContact CE2-CG1 4.12Å; F26-F137 VanDerWaalsContact CD2-C 3.44Å; F26-F137 PolarHBondContact N-O 3.33Å; F26-G138 VanDerWaalsContact CD2-CA 3.46Å; F26-G138 VanDerWaalsContact CD2-N 3.26Å; F26-G138 VanDerWaalsContact CE2-CA 3.43Å; F26-G138 WeakPolarHBondContact CE2-O 3.22Å; F26-G138 VanDerWaalsContact CZ-C 3.45Å; F26-A139 HydrophobicContact CE1-CB 4.39Å; F26-A139 HydrophobicContact CZ-CB 3.71Å
27S97.8Very high98.5Very high37 Ų3737.1 Ų37.126%0.25920%0.203SC..THydrogen-bonded Turntrans-63.2-18.3-177.660.90000114.2P5 L25 P31P5-S27 WeakPolarHBondContact CD-OG 3.49Å; L25-S27 PolarHBondContact O-N 3.15Å; S27-P31 WeakPolarHBondContact O-CA 3.45Å; S27-P31 WeakPolarHBondContact O-CB 3.45Å
28D97.4Very high98.5Very high100 Ų10033.4 Ų33.454%0.53517%0.173SC..THydrogen-bonded Turntrans-76.1-19.4172.557.8-48.5000113.5R4 F26R4-D28 IonicContact CZ-OD1 2.76Å; R4-D28 IonicContact CZ-OD2 3.73Å; R4-D28 IonicContact NE-OD1 3.45Å; R4-D28 PolarHBondContact NE-OD1 2.85Å; R4-D28 IonicContact NE-OD2 2.74Å; R4-D28 PolarHBondContact NE-OD2 3Å; R4-D28 IonicContact NH2-OD1 3.55Å; R4-D28 PolarHBondContact NH2-OD1 2.7Å; R4-D28 IonicContact NH2-OD2 3.6Å; R4-D28 PolarHBondContact NH2-OD2 2.85Å; F26-D28 VanDerWaalsContact C-OD1 3.31Å; F26-D28 PolarHBondContact O-N 2.9Å; F26-D28 VanDerWaalsContact O-N 3.16Å
29V98Very high98.5Very high37 Ų3732 Ų3222%0.22416%0.161CC..THydrogen-bonded Turntrans-112.6-39.6-178.7-1730000112.2F26 N95 N97 L98F26-V29 HydrophobicContact CB-CB 4.47Å; F26-V29 PolarHBondContact O-N 3.32Å; V29-N95 PolarHBondContact O-ND2 2.81Å; V29-N97 HydrophobicContact CG1-CB 4.27Å; V29-L98 HydrophobicContact CB-CD1 4.23Å; V29-L98 HydrophobicContact CG1-CD1 4.08Å; V29-L98 HydrophobicContact CG1-CG 4.06Å; V29-L98 HydrophobicContact CG2-CD1 4.49Å
30V98.4Very high98.5Very high0 Ų030.7 Ų30.70%015%0.148CC..  trans-134.364.4-177.5-750000110.3F26 R32 T33 A34 E94 N95 V135 F137F26-V30 HydrophobicContact CB-CG2 4.29Å; F26-V30 WeakPolarHBondContact O-CG2 3.39Å; F26-V30 PolarHBondContact O-N 3.11Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 2.9Å; V30-T33 PolarHBondContact O-N 3.34Å; V30-A34 VanDerWaalsContact O-CB 3.26Å; V30-A34 WeakPolarHBondContact O-CB 3.4Å; V30-A34 PolarHBondContact O-N 3.37Å; V30-E94 VanDerWaalsContact C-CD 3.48Å; V30-E94 VanDerWaalsContact CA-CD 3.45Å; V30-E94 VanDerWaalsContact CA-OE2 3.26Å; V30-E94 WeakPolarHBondContact CA-OE2 3.48Å; V30-E94 HydrophobicContact CB-CG 4.41Å; V30-E94 VanDerWaalsContact CB-OE2 3.29Å; V30-E94 WeakPolarHBondContact CB-OE2 3.03Å; V30-E94 HydrophobicContact CG1-CB 4.27Å; V30-E94 HydrophobicContact CG1-CG 4.23Å; V30-N95 WeakPolarHBondContact CG1-ND2 3.23Å; V30-V135 HydrophobicContact CG1-CG1 3.94Å; V30-F137 HydrophobicContact CG2-CB 3.49Å; V30-F137 VanDerWaalsContact CG2-CB 3.49Å
31P98.1Very high98.5Very high67 Ų6725.7 Ų25.744%0.43513%0.129SC..Hα-helixtrans-55.2-39.9-174.119.5-32.4000113.5S27 E35 E94S27-P31 WeakPolarHBondContact O-CA 3.45Å; S27-P31 WeakPolarHBondContact O-CB 3.45Å; P31-E35 WeakPolarHBondContact O-CB 3.38Å; P31-E35 PolarHBondContact O-N 3.22Å; P31-E94 WeakPolarHBondContact CD-OE1 3.37Å; P31-E94 WeakPolarHBondContact CG-OE1 3.48Å
32R98.4Very high98.5Very high131 Ų13127.8 Ų27.849%0.49414%0.141SC..Hα-helixtrans-70.9-41.9-178.9-64.1-174.365.2-176.8-1.3111.8V30 E35 N36 Y87 E94V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 2.9Å; R32-E35 PolarHBondContact O-N 2.8Å; R32-N36 PolarHBondContact O-N 3.13Å; R32-Y87 WeakPolarHBondContact CA-OH 3.22Å; R32-Y87 HydrophobicContact CB-CE2 4.32Å; R32-Y87 WeakPolarHBondContact O-CE2 3.44Å; R32-Y87 PolarHBondContact O-OH 3.12Å; R32-E94 WeakPolarHBondContact CB-OE1 3.33Å; R32-E94 PolarHBondContact N-OE1 3.38Å; R32-E94 PolarHBondContact N-OE2 3.27Å
33T98.8Very high98.5Very high0 Ų028.4 Ų28.40%015%0.148CC..Hα-helixtrans-69.3-44.3-179.4-49.30000110.5V30 N36 F37 F91 E94 M108 V135 F137V30-T33 PolarHBondContact O-N 3.34Å; T33-N36 PolarHBondContact O-N 3.24Å; T33-F37 PolarHBondContact O-N 3.33Å; T33-F91 HydrophobicContact CG2-CE2 4.34Å; T33-F91 HydrophobicContact CG2-CZ 4.21Å; T33-E94 WeakPolarHBondContact CB-OE2 3.39Å; T33-E94 PolarHBondContact N-OE2 3.36Å; T33-E94 WeakPolarHBondContact OG1-CB 3.29Å; T33-E94 PolarHBondContact OG1-OE2 3.03Å; T33-M108 HydrophobicContact CG2-CG 3.59Å; T33-M108 HydrophobicContact CG2-SD 3.93Å; T33-V135 HydrophobicContact CG2-CG1 4.04Å; T33-F137 HydrophobicContact CG2-CB 3.62Å; T33-F137 HydrophobicContact CG2-CD1 3.69Å; T33-F137 HydrophobicContact CG2-CD2 4.3Å; T33-F137 HydrophobicContact CG2-CE1 4.42Å; T33-F137 HydrophobicContact CG2-CG 3.61Å
34A98.6Very high98.5Very high1 Ų133.1 Ų33.11%0.00817%0.17CC..Hα-helixtrans-59.4-46.3173.100000111.7L25 V30 N36 F37 R38L25-A34 HydrophobicContact CB-CB 4Å; V30-A34 VanDerWaalsContact O-CB 3.26Å; V30-A34 WeakPolarHBondContact O-CB 3.4Å; V30-A34 PolarHBondContact O-N 3.37Å; A34-N36 PolarHBondContact O-N 3.09Å; A34-F37 PolarHBondContact O-N 2.83Å; A34-R38 WeakPolarHBondContact O-CB 3.21Å; A34-R38 PolarHBondContact O-N 3.48Å
35E98.6Very high98.4Very high62 Ų6235.8 Ų35.829%0.2918%0.181SC..Hα-helixtrans-65-38.3-179.5-179.961.1-170.800112.8P31 R32 F37 R38 C39 I86P31-E35 WeakPolarHBondContact O-CB 3.38Å; P31-E35 PolarHBondContact O-N 3.22Å; R32-E35 PolarHBondContact O-N 2.8Å; E35-F37 PolarHBondContact O-N 3.33Å; E35-R38 PolarHBondContact O-N 2.75Å; E35-R38 IonicContact OE1-CZ 2.8Å; E35-R38 IonicContact OE1-NE 3.7Å; E35-R38 IonicContact OE1-NH2 3.33Å; E35-R38 PolarHBondContact OE1-NH2 3.21Å; E35-R38 IonicContact OE2-CZ 2.7Å; E35-R38 IonicContact OE2-NE 2.67Å; E35-R38 PolarHBondContact OE2-NE 3.27Å; E35-R38 IonicContact OE2-NH2 3.5Å; E35-R38 PolarHBondContact OE2-NH2 3.4Å; E35-C39 WeakPolarHBondContact O-CB 3.28Å; E35-C39 PolarHBondContact O-N 3.25Å; E35-C39 PolarHBondContact O-SG 2.66Å; E35-C39 VanDerWaalsContact O-SG 3.34Å; E35-C39 PolarHBondContact OE1-SG 2.95Å; E35-I86 HydrophobicContact CG-CD1 4.18Å
36N98.8Very high98.4Very high0 Ų037.6 Ų37.60%020%0.2CC..Hα-helixtrans-55.9-52.1172.7174.963.1000111R32 T33 A34 R38 C39 L40 S85 I86 Y87 F91 G117R32-N36 PolarHBondContact O-N 3.13Å; T33-N36 PolarHBondContact O-N 3.24Å; A34-N36 PolarHBondContact O-N 3.09Å; N36-R38 PolarHBondContact O-N 3.12Å; N36-C39 PolarHBondContact O-N 2.78Å; N36-L40 WeakPolarHBondContact O-CB 3.4Å; N36-L40 VanDerWaalsContact O-CG 3.24Å; N36-L40 WeakPolarHBondContact O-CG 3.23Å; N36-L40 PolarHBondContact O-N 2.89Å; N36-S85 WeakPolarHBondContact OD1-CA 2.96Å; N36-S85 VanDerWaalsContact OD1-CB 3.3Å; N36-S85 WeakPolarHBondContact OD1-CB 3.44Å; N36-I86 HydrophobicContact CB-CD1 4.42Å; N36-I86 HydrophobicContact CB-CG1 4.15Å; N36-I86 PolarHBondContact OD1-N 2.58Å; N36-Y87 HydrophobicContact CB-CE2 3.81Å; N36-F91 HydrophobicContact CB-CZ 4.5Å; N36-G117 PolarHBondContact ND2-O 2.81Å
37F98.9Very high98.4Very high0 Ų042.1 Ų42.10%022%0.223CC..Hα-helixtrans-65.8-40.6-179-165.4-91.9000112.6V7 F9 I23 L25 T33 A34 E35 L40 C41 Y56 L106 F120 F137V7-F37 HydrophobicContact CG2-CD1 4.04Å; V7-F37 HydrophobicContact CG2-CE1 3.79Å; F9-F37 HydrophobicContact CE1-CZ 4.42Å; F9-F37 HydrophobicContact CE2-CE1 4.35Å; F9-F37 AromaticContact CE2-CZ 3.73Å; F9-F37 HydrophobicContact CE2-CZ 3.73Å; F9-F37 AromaticContact CZ-CE1 3.79Å; F9-F37 HydrophobicContact CZ-CE1 3.79Å; F9-F37 HydrophobicContact CZ-CE2 4.25Å; F9-F37 AromaticContact CZ-CZ 3.34Å; F9-F37 HydrophobicContact CZ-CZ 3.34Å; I23-F37 HydrophobicContact CD1-CE1 4.2Å; I23-F37 HydrophobicContact CD1-CZ 4.25Å; L25-F37 HydrophobicContact CD1-CD1 4.18Å; L25-F37 HydrophobicContact CD2-CD1 3.76Å; L25-F37 HydrophobicContact CD2-CE1 4.28Å; L25-F37 HydrophobicContact CD2-CG 4.48Å; T33-F37 PolarHBondContact O-N 3.33Å; A34-F37 PolarHBondContact O-N 2.83Å; E35-F37 PolarHBondContact O-N 3.33Å; F37-L40 PolarHBondContact O-N 2.67Å; F37-C41 VanDerWaalsContact CD1-SG 3.59Å; F37-C41 WeakPolarHBondContact CE1-SG 3.34Å; F37-C41 PolarHBondContact O-N 3.16Å; F37-C41 PolarHBondContact O-SG 3.33Å; F37-Y56 HydrophobicContact CD1-CE2 4.46Å; F37-Y56 AromaticContact CD2-CE2 3.66Å; F37-Y56 HydrophobicContact CD2-CE2 3.66Å; F37-Y56 AromaticContact CD2-CZ 3.9Å; F37-Y56 WeakPolarHBondContact CD2-OH 3.29Å; F37-Y56 HydrophobicContact CE1-CE2 4.42Å; F37-Y56 AromaticContact CE2-CE2 3.61Å; F37-Y56 HydrophobicContact CE2-CE2 3.61Å; F37-Y56 AromaticContact CE2-CZ 3.92Å; F37-Y56 HydrophobicContact CG-CE2 4.11Å; F37-Y56 HydrophobicContact CZ-CE2 4.04Å; F37-L106 HydrophobicContact CD1-CD2 4.19Å; F37-L106 HydrophobicContact CD2-CD2 4.39Å; F37-L106 HydrophobicContact CE1-CD2 3.81Å; F37-L106 HydrophobicContact CE2-CD1 4.2Å; F37-L106 HydrophobicContact CE2-CD2 4.03Å; F37-L106 HydrophobicContact CG-CD2 4.45Å; F37-L106 HydrophobicContact CZ-CD1 4.11Å; F37-L106 HydrophobicContact CZ-CD2 3.7Å; F37-F120 HydrophobicContact CD2-CD1 4.37Å; F37-F120 HydrophobicContact CD2-CG 4.49Å; F37-F120 HydrophobicContact CE2-CB 4Å; F37-F120 AromaticContact CE2-CD1 3.5Å; F37-F120 HydrophobicContact CE2-CD1 3.5Å; F37-F120 VanDerWaalsContact CE2-CD1 3.5Å; F37-F120 HydrophobicContact CE2-CD2 4Å; F37-F120 AromaticContact CE2-CE1 3.85Å; F37-F120 HydrophobicContact CE2-CE1 3.85Å; F37-F120 HydrophobicContact CE2-CE2 4.33Å; F37-F120 AromaticContact CE2-CG 3.57Å; F37-F120 HydrophobicContact CE2-CG 3.57Å; F37-F120 HydrophobicContact CE2-CZ 4.26Å; F37-F120 HydrophobicContact CZ-CD1 4.32Å; F37-F120 HydrophobicContact CZ-CD2 4.36Å; F37-F120 HydrophobicContact CZ-CE1 4.29Å; F37-F120 HydrophobicContact CZ-CE2 4.34Å; F37-F120 HydrophobicContact CZ-CG 4.35Å; F37-F120 HydrophobicContact CZ-CZ 4.3Å; F37-F137 HydrophobicContact CB-CD2 4.21Å; F37-F137 HydrophobicContact CB-CE2 3.47Å; F37-F137 VanDerWaalsContact CB-CE2 3.47Å; F37-F137 HydrophobicContact CB-CZ 4.18Å; F37-F137 HydrophobicContact CD1-CE2 4.08Å; F37-F137 AromaticContact CD2-CE2 3.44Å; F37-F137 HydrophobicContact CD2-CE2 3.44Å; F37-F137 VanDerWaalsContact CD2-CE2 3.44Å; F37-F137 AromaticContact CD2-CZ 3.42Å; F37-F137 HydrophobicContact CD2-CZ 3.42Å; F37-F137 VanDerWaalsContact CD2-CZ 3.42Å; F37-F137 HydrophobicContact CE2-CE2 4.1Å; F37-F137 AromaticContact CE2-CZ 3.88Å; F37-F137 HydrophobicContact CE2-CZ 3.88Å; F37-F137 HydrophobicContact CG-CD2 4.49Å; F37-F137 AromaticContact CG-CE2 3.41Å; F37-F137 HydrophobicContact CG-CE2 3.41Å; F37-F137 VanDerWaalsContact CG-CE2 3.41Å; F37-F137 AromaticContact CG-CZ 3.92Å; F37-F137 HydrophobicContact CG-CZ 3.92Å
38R98.7Very high98.3Very high29 Ų2941 Ų4111%0.10922%0.217CC..Hα-helixtrans-57.6-52.1177.2-169-164.369.866.35111.2P5 V7 L25 A34 E35 N36 L40 C41 T42 E44P5-R38 HydrophobicContact CB-CG 4.42Å; V7-R38 HydrophobicContact CG1-CG 4.21Å; L25-R38 HydrophobicContact CD1-CB 3.8Å; L25-R38 HydrophobicContact CD1-CG 4.42Å; A34-R38 WeakPolarHBondContact O-CB 3.21Å; A34-R38 PolarHBondContact O-N 3.48Å; E35-R38 PolarHBondContact O-N 2.75Å; E35-R38 IonicContact OE1-CZ 2.8Å; E35-R38 IonicContact OE1-NE 3.7Å; E35-R38 IonicContact OE1-NH2 3.33Å; E35-R38 PolarHBondContact OE1-NH2 3.21Å; E35-R38 IonicContact OE2-CZ 2.7Å; E35-R38 IonicContact OE2-NE 2.67Å; E35-R38 PolarHBondContact OE2-NE 3.27Å; E35-R38 IonicContact OE2-NH2 3.5Å; E35-R38 PolarHBondContact OE2-NH2 3.4Å; N36-R38 PolarHBondContact O-N 3.12Å; R38-L40 VanDerWaalsContact C-N 3.31Å; R38-L40 PolarHBondContact O-N 2.89Å; R38-C41 WeakPolarHBondContact O-CB 3.48Å; R38-C41 PolarHBondContact O-N 3.13Å; R38-T42 PolarHBondContact O-N 2.88Å; R38-T42 VanDerWaalsContact O-N 3.12Å; R38-E44 IonicContact CZ-OE1 3.53Å; R38-E44 IonicContact CZ-OE2 3.98Å; R38-E44 IonicContact NH1-OE1 2.77Å; R38-E44 IonicContact NH1-OE2 3.06Å; R38-E44 PolarHBondContact NH1-OE2 3.41Å; R38-E44 VanDerWaalsContact NH2-CD 3.33Å; R38-E44 IonicContact NH2-OE1 3.24Å; R38-E44 PolarHBondContact NH2-OE1 2.82Å; R38-E44 IonicContact NH2-OE2 3.38Å; R38-E44 PolarHBondContact NH2-OE2 3.31Å
39C98.6Very high98.2Very high0 Ų044.8 Ų44.80%023%0.229CC..Hα-helixtrans-61.5-39178.2-73.60000112.5E35 N36 C41 T42 G43 E44 K45 I86E35-C39 WeakPolarHBondContact O-CB 3.28Å; E35-C39 PolarHBondContact O-N 3.25Å; E35-C39 PolarHBondContact O-SG 2.66Å; E35-C39 VanDerWaalsContact O-SG 3.34Å; E35-C39 PolarHBondContact OE1-SG 2.95Å; N36-C39 PolarHBondContact O-N 2.78Å; C39-C41 VanDerWaalsContact C-N 3.25Å; C39-C41 PolarHBondContact O-N 3.33Å; C39-T42 PolarHBondContact O-N 2.89Å; C39-T42 PolarHBondContact O-OG1 2.85Å; C39-T42 VanDerWaalsContact O-OG1 3.13Å; C39-G43 PolarHBondContact O-N 3.49Å; C39-E44 HydrophobicContact CB-CG 4.29Å; C39-K45 HydrophobicContact CB-CG 3.92Å; C39-K45 WeakPolarHBondContact SG-CE 3.43Å; C39-I86 HydrophobicContact CB-CD1 4.05Å; C39-I86 HydrophobicContact CB-CG2 3.7Å
40L98.8Very high98Very high0 Ų047.6 Ų47.60%024%0.242CC..Hα-helixtrans-70-22.2176.1-69.3173.7000112.5N36 F37 R38 L54 H55 Y56 F75 I86N36-L40 WeakPolarHBondContact O-CB 3.4Å; N36-L40 VanDerWaalsContact O-CG 3.24Å; N36-L40 WeakPolarHBondContact O-CG 3.23Å; N36-L40 PolarHBondContact O-N 2.89Å; F37-L40 PolarHBondContact O-N 2.67Å; R38-L40 VanDerWaalsContact C-N 3.31Å; R38-L40 PolarHBondContact O-N 2.89Å; L40-L54 HydrophobicContact CD2-CB 3.83Å; L40-L54 HydrophobicContact CD2-CD2 4.22Å; L40-H55 CarbonylContact O-C 3.54Å; L40-H55 WeakPolarHBondContact O-CA 3.49Å; L40-H55 PolarHBondContact O-CD2 3.23Å; L40-Y56 HydrophobicContact CB-CD2 3.76Å; L40-Y56 HydrophobicContact CB-CE1 4.16Å; L40-Y56 HydrophobicContact CB-CE2 3.37Å; L40-Y56 HydrophobicContact CB-CG 4.31Å; L40-Y56 HydrophobicContact CD1-CE1 4.14Å; L40-Y56 HydrophobicContact CD1-CE2 4.31Å; L40-Y56 VanDerWaalsContact CD1-OH 3.3Å; L40-Y56 WeakPolarHBondContact CD1-OH 3.32Å; L40-Y56 HydrophobicContact CG-CE2 4.49Å; L40-Y56 WeakPolarHBondContact O-CD2 3.44Å; L40-Y56 PolarHBondContact O-N 3.26Å; L40-F75 HydrophobicContact CD1-CE1 4.42Å; L40-F75 HydrophobicContact CD2-CE1 3.7Å; L40-F75 HydrophobicContact CD2-CZ 4.1Å; L40-I86 HydrophobicContact CD2-CG2 4.18Å; L40-I86 HydrophobicContact CG-CG2 4.1Å
41C98.8Very high97.8Very high0 Ų050 Ų500%027%0.267CS..Hα-helixtrans-75.7-36169.6-65.10000112.2V7 F9 F37 R38 C39 H55 C169 G170V7-C41 HydrophobicContact CB-CB 4.09Å; V7-C41 HydrophobicContact CG1-CB 4.03Å; F9-C41 VanDerWaalsContact CE1-SG 3.6Å; F37-C41 VanDerWaalsContact CD1-SG 3.59Å; F37-C41 WeakPolarHBondContact CE1-SG 3.34Å; F37-C41 PolarHBondContact O-N 3.16Å; F37-C41 PolarHBondContact O-SG 3.33Å; R38-C41 WeakPolarHBondContact O-CB 3.48Å; R38-C41 PolarHBondContact O-N 3.13Å; C39-C41 VanDerWaalsContact C-N 3.25Å; C39-C41 PolarHBondContact O-N 3.33Å; C41-H55 PolarHBondContact O-NE2 3.34Å; C41-C169 CarbonylContact O-C 3.54Å; C41-C169 VanDerWaalsContact O-C 3.24Å; C41-C169 PolarHBondContact O-SG 3.14Å; C41-G170 WeakPolarHBondContact O-CA 3.38Å; C41-G170 PolarHBondContact O-N 2.85Å
42T98.7Very high97.7Very high43 Ų4351.5 Ų51.526%0.26427%0.267SS..Hα-helixtrans-87.5-23.5-177.660.70000113.5R38 C39 E44 Q171R38-T42 PolarHBondContact O-N 2.88Å; R38-T42 VanDerWaalsContact O-N 3.12Å; C39-T42 PolarHBondContact O-N 2.89Å; C39-T42 PolarHBondContact O-OG1 2.85Å; C39-T42 VanDerWaalsContact O-OG1 3.13Å; T42-E44 PolarHBondContact O-N 2.88Å; T42-E44 WeakPolarHBondContact OG1-CB 3.28Å; T42-E44 VanDerWaalsContact OG1-CG 3.29Å; T42-E44 WeakPolarHBondContact OG1-CG 3.19Å; T42-E44 PolarHBondContact OG1-N 3.37Å; T42-E44 PolarHBondContact OG1-OE2 3.49Å; T42-Q171 HydrophobicContact CG2-CB 3.73Å
43G98.5Very high97.7Very high16 Ų1648.5 Ų48.517%0.16526%0.264CS..THydrogen-bonded Turntrans72.210.1-172.900000113.8C39 K45 G46 L54C39-G43 PolarHBondContact O-N 3.49Å; G43-K45 PolarHBondContact O-N 2.76Å; G43-K45 VanDerWaalsContact O-N 3.09Å; G43-G46 PolarHBondContact O-N 3.01Å; G43-G46 VanDerWaalsContact O-N 3.11Å; G43-L54 WeakPolarHBondContact CA-O 3.24Å
44E98.4Very high97.7Very high99 Ų9949 Ų4946%0.46327%0.267SS..THydrogen-bonded Turntrans-65.9-17.4-169.670.1-171.1-126.500114.3R38 C39 T42 G46R38-E44 IonicContact CZ-OE1 3.53Å; R38-E44 IonicContact CZ-OE2 3.98Å; R38-E44 IonicContact NH1-OE1 2.77Å; R38-E44 IonicContact NH1-OE2 3.06Å; R38-E44 PolarHBondContact NH1-OE2 3.41Å; R38-E44 VanDerWaalsContact NH2-CD 3.33Å; R38-E44 IonicContact NH2-OE1 3.24Å; R38-E44 PolarHBondContact NH2-OE1 2.82Å; R38-E44 IonicContact NH2-OE2 3.38Å; R38-E44 PolarHBondContact NH2-OE2 3.31Å; C39-E44 HydrophobicContact CB-CG 4.29Å; T42-E44 PolarHBondContact O-N 2.88Å; T42-E44 WeakPolarHBondContact OG1-CB 3.28Å; T42-E44 VanDerWaalsContact OG1-CG 3.29Å; T42-E44 WeakPolarHBondContact OG1-CG 3.19Å; T42-E44 PolarHBondContact OG1-N 3.37Å; T42-E44 PolarHBondContact OG1-OE2 3.49Å; E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 2.89Å
45K98.2Very high97.7Very high103 Ų10351 Ų5145%0.44828%0.276SS..THydrogen-bonded Turntrans-82.7-1.9178.2-61-63.2-178.4-172.10113.6C39 G43 L54 I86C39-K45 HydrophobicContact CB-CG 3.92Å; C39-K45 WeakPolarHBondContact SG-CE 3.43Å; G43-K45 PolarHBondContact O-N 2.76Å; G43-K45 VanDerWaalsContact O-N 3.09Å; K45-L54 HydrophobicContact CB-CB 4.23Å; K45-L54 HydrophobicContact CB-CD1 3.63Å; K45-I86 HydrophobicContact CB-CG2 4.45Å; K45-I86 HydrophobicContact CG-CB 4.15Å; K45-I86 HydrophobicContact CG-CG2 3.86Å
46G97.7Very high97.7Very high38 Ų3848 Ų4839%0.39226%0.262SS..  trans69.7-134.217500000112.9G43 E44 P53 L54G43-G46 PolarHBondContact O-N 3.01Å; G43-G46 VanDerWaalsContact O-N 3.11Å; E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 2.89Å; G46-P53 WeakPolarHBondContact O-CA 3.44Å; G46-L54 PolarHBondContact O-N 2.92Å
47M97.4Very high97.7Very high122 Ų12252.3 Ų52.360%0.60128%0.281SS*.BIsolated β-bridgetrans-85.5132.1-176.4-65.1-63.7-79.500111.5G51 P53M47-G51 VanDerWaalsContact CE-C 3.47Å; M47-G51 WeakPolarHBondContact CE-O 3.48Å; M47-P53 HydrophobicContact SD-CB 4.34Å; M47-P53 HydrophobicContact SD-CG 3.83Å
48G96.6Very high97.7Very high13 Ų1357.1 Ų57.113%0.13431%0.306CS..  trans-80.6175.1173.200000112.9L50 G51 K52 E84G48-L50 PolarHBondContact O-N 3.25Å; G48-G51 PolarHBondContact O-N 3.01Å; G48-G51 VanDerWaalsContact O-N 3.17Å; G48-K52 PolarHBondContact N-O 3.12Å; G48-E84 VanDerWaalsContact C-OE1 3.28Å; G48-E84 VanDerWaalsContact CA-OE1 3.28Å; G48-E84 WeakPolarHBondContact CA-OE1 3.46Å
49K95.4Very high97.7Very high179 Ų17956 Ų5678%0.77830%0.303SS*.THydrogen-bonded Turntrans-68.3-22.4-178.7-68-177.8178-179.40112.4G51 E84K49-G51 PolarHBondContact O-N 3.11Å; K49-E84 PolarHBondContact N-OE1 3.3Å; K49-E84 PolarHBondContact N-OE2 3.08Å
50L93.2Very high97.7Very high96 Ų9657.8 Ų57.850%0.50331%0.312SS..THydrogen-bonded Turntrans-84.310.1177.2-59177000112.8G48 K52 T76 E84G48-L50 PolarHBondContact O-N 3.25Å; L50-K52 PolarHBondContact O-N 2.84Å; L50-T76 HydrophobicContact CB-CG2 4.3Å; L50-T76 HydrophobicContact CD1-CG2 3.91Å; L50-E84 VanDerWaalsContact CB-OE1 3.31Å; L50-E84 WeakPolarHBondContact CB-OE1 3.42Å; L50-E84 HydrophobicContact CD1-CB 4.14Å; L50-E84 HydrophobicContact CD1-CG 4.29Å; L50-E84 WeakPolarHBondContact CG-OE1 3.5Å; L50-E84 PolarHBondContact N-OE1 3.48Å
51G94.9Very high97.7Very high50 Ų5057.8 Ų57.852%0.51531%0.312SS..SBendtrans70.421.4177.300000113.5M47 G48 K49M47-G51 VanDerWaalsContact CE-C 3.47Å; M47-G51 WeakPolarHBondContact CE-O 3.48Å; G48-G51 PolarHBondContact O-N 3.01Å; G48-G51 VanDerWaalsContact O-N 3.17Å; K49-G51 PolarHBondContact O-N 3.11Å
52K96.7Very high97.7Very high100 Ų10059.1 Ų59.144%0.43532%0.318SS..SBendtrans-121149.4176.5-65.2-70.6-176.4176.10109.7G48 L50 L54 F75 T76G48-K52 PolarHBondContact N-O 3.12Å; L50-K52 PolarHBondContact O-N 2.84Å; K52-L54 PolarHBondContact O-N 2.76Å; K52-F75 HydrophobicContact CB-CD2 4.43Å; K52-T76 HydrophobicContact CB-CG2 4.16Å; K52-T76 HydrophobicContact CG-CG2 4.26Å
53P98.2Very high97.7Very high68 Ų6861.8 Ų61.844%0.44232%0.323SS..BIsolated β-bridgetrans-57137.3172.9-23.233.4000111.3G46 M47 H55 F75G46-P53 WeakPolarHBondContact O-CA 3.44Å; M47-P53 HydrophobicContact SD-CB 4.34Å; M47-P53 HydrophobicContact SD-CG 3.83Å; P53-H55 HydrophobicContact CB-CB 4.1Å; P53-H55 PolarHBondContact O-N 2.89Å; P53-F75 VanDerWaalsContact O-CD2 3.31Å; P53-F75 WeakPolarHBondContact O-CD2 3.39Å; P53-F75 WeakPolarHBondContact O-CE2 3.38Å
54L98.6Very high97.7Very high11 Ų1161 Ų616%0.05832%0.316CS..SBendtrans-7567.3169.9-70.7174.5000109.5L40 G43 K45 G46 K52 F75 E84L40-L54 HydrophobicContact CD2-CB 3.83Å; L40-L54 HydrophobicContact CD2-CD2 4.22Å; G43-L54 WeakPolarHBondContact CA-O 3.24Å; K45-L54 HydrophobicContact CB-CB 4.23Å; K45-L54 HydrophobicContact CB-CD1 3.63Å; G46-L54 PolarHBondContact O-N 2.92Å; K52-L54 PolarHBondContact O-N 2.76Å; L54-F75 HydrophobicContact CD2-CE2 4.31Å; L54-F75 HydrophobicContact CD2-CZ 3.84Å; L54-E84 HydrophobicContact CD2-CG 3.54Å
55H98.8Very high97.7Very high42 Ų4257.6 Ų57.619%0.19430%0.3CS..  trans-150.4134.3-169.1-161-179.3000111.1L40 C41 P53 K57 F75 C169L40-H55 CarbonylContact O-C 3.54Å; L40-H55 WeakPolarHBondContact O-CA 3.49Å; L40-H55 PolarHBondContact O-CD2 3.23Å; C41-H55 PolarHBondContact O-NE2 3.34Å; P53-H55 HydrophobicContact CB-CB 4.1Å; P53-H55 PolarHBondContact O-N 2.89Å; H55-K57 VanDerWaalsContact C-N 3.3Å; H55-F75 WeakPolarHBondContact O-CB 3.36Å; H55-C169 PolarHBondContact CD2-SG 3.38Å; H55-C169 PolarHBondContact NE2-SG 3.48Å
56Y98.9Very high97.8Very high0 Ų055 Ų550%029%0.294CS..  trans-77.2-14.2176.6-69.2-46.7000114.4F9 F37 L40 D58 S59 F75 S118 F120F9-Y56 AromaticContact CE1-CD2 3.89Å; F9-Y56 HydrophobicContact CE1-CD2 3.89Å; F9-Y56 HydrophobicContact CE1-CG 4.42Å; F9-Y56 AromaticContact CZ-CD2 3.86Å; F9-Y56 HydrophobicContact CZ-CD2 3.86Å; F9-Y56 HydrophobicContact CZ-CE2 4.33Å; F9-Y56 HydrophobicContact CZ-CG 4.46Å; F37-Y56 HydrophobicContact CD1-CE2 4.46Å; F37-Y56 AromaticContact CD2-CE2 3.66Å; F37-Y56 HydrophobicContact CD2-CE2 3.66Å; F37-Y56 AromaticContact CD2-CZ 3.9Å; F37-Y56 WeakPolarHBondContact CD2-OH 3.29Å; F37-Y56 HydrophobicContact CE1-CE2 4.42Å; F37-Y56 AromaticContact CE2-CE2 3.61Å; F37-Y56 HydrophobicContact CE2-CE2 3.61Å; F37-Y56 AromaticContact CE2-CZ 3.92Å; F37-Y56 HydrophobicContact CG-CE2 4.11Å; F37-Y56 HydrophobicContact CZ-CE2 4.04Å; L40-Y56 HydrophobicContact CB-CD2 3.76Å; L40-Y56 HydrophobicContact CB-CE1 4.16Å; L40-Y56 HydrophobicContact CB-CE2 3.37Å; L40-Y56 HydrophobicContact CB-CG 4.31Å; L40-Y56 HydrophobicContact CD1-CE1 4.14Å; L40-Y56 HydrophobicContact CD1-CE2 4.31Å; L40-Y56 VanDerWaalsContact CD1-OH 3.3Å; L40-Y56 WeakPolarHBondContact CD1-OH 3.32Å; L40-Y56 HydrophobicContact CG-CE2 4.49Å; L40-Y56 WeakPolarHBondContact O-CD2 3.44Å; L40-Y56 PolarHBondContact O-N 3.26Å; Y56-D58 PolarHBondContact O-N 3.05Å; Y56-S59 VanDerWaalsContact O-CB 3.23Å; Y56-S59 WeakPolarHBondContact O-CB 3.38Å; Y56-S59 PolarHBondContact O-N 3.45Å; Y56-S59 PolarHBondContact O-OG 2.74Å; Y56-F75 HydrophobicContact CD1-CD1 4.17Å; Y56-F75 HydrophobicContact CE1-CD1 4.31Å; Y56-S118 WeakPolarHBondContact CE1-O 3.46Å; Y56-S118 PolarHBondContact OH-O 2.77Å; Y56-F120 HydrophobicContact CD1-CE1 4.21Å; Y56-F120 HydrophobicContact CE1-CD1 4.08Å; Y56-F120 AromaticContact CE1-CE1 3.9Å; Y56-F120 HydrophobicContact CE1-CE1 3.9Å; Y56-F120 HydrophobicContact CE2-CE1 4.27Å; Y56-F120 AromaticContact CZ-CD1 3.91Å; Y56-F120 AromaticContact CZ-CE1 3.93Å
57K98.7Very high97.8Very high90 Ų9059.1 Ų59.139%0.39131%0.307SS..THydrogen-bonded Turntrans-55.2133.4177.3-175.6174.1178.4172.80110H55 S59 C169H55-K57 VanDerWaalsContact C-N 3.3Å; K57-S59 PolarHBondContact O-N 3.41Å; K57-C169 PolarHBondContact N-SG 2.99Å
58D98.1Very high97.8Very high101 Ų10155.2 Ų55.254%0.5429%0.287SS..THydrogen-bonded Turntrans67.33.2-176.1-55.9-50.4000115.5Y56 I166Y56-D58 PolarHBondContact O-N 3.05Å; D58-I166 WeakPolarHBondContact CA-O 3.43Å; D58-I166 PolarHBondContact N-O 3.43Å
59S98.5Very high97.9Very high6 Ų654.8 Ų54.84%0.04228%0.281CS..  trans-77.1157.217077.40000111.9Y56 K57 I166Y56-S59 VanDerWaalsContact O-CB 3.23Å; Y56-S59 WeakPolarHBondContact O-CB 3.38Å; Y56-S59 PolarHBondContact O-N 3.45Å; Y56-S59 PolarHBondContact O-OG 2.74Å; K57-S59 PolarHBondContact O-N 3.41Å; S59-I166 PolarHBondContact O-N 3.28Å
60I98.7Very high98.1Very high37 Ų3746.2 Ų46.219%0.1924%0.244CC..BIsolated β-bridgetrans-114.3156.9-175.368.4167.8000112.7H62 G72 G78 E163 V164 K165I60-H62 HydrophobicContact CD1-CB 4.23Å; I60-H62 HydrophobicContact CG1-CB 4.15Å; I60-H62 PolarHBondContact O-N 3.43Å; I60-G72 WeakPolarHBondContact O-CA 3.36Å; I60-G78 WeakPolarHBondContact CD1-O 3.45Å; I60-E163 HydrophobicContact CG2-CG 3.83Å; I60-V164 CarbonylContact C-O 3.54Å; I60-V164 VanDerWaalsContact CA-O 3.28Å; I60-V164 WeakPolarHBondContact CA-O 3.48Å; I60-V164 WeakPolarHBondContact CB-O 3.41Å; I60-K165 HydrophobicContact CG2-CB 4.18Å; I60-K165 HydrophobicContact CG2-CG 4.27Å
61F98.8Very high98.3Very high0 Ų042.8 Ų42.80%023%0.225CC..  trans-80.886.8162.5-71.1-96.3000109F9 I11 R63 I64 C70 Q71 F120 I122 M150 P160 V164 I166F9-F61 HydrophobicContact CD2-CZ 4.48Å; I11-F61 HydrophobicContact CD1-CE2 3.79Å; F61-R63 VanDerWaalsContact C-N 3.26Å; F61-R63 PolarHBondContact O-N 3.49Å; F61-I64 HydrophobicContact CB-CD1 3.94Å; F61-I64 HydrophobicContact CB-CG1 4.07Å; F61-C70 HydrophobicContact CD1-CB 3.92Å; F61-C70 HydrophobicContact CE1-CB 4.28Å; F61-Q71 CarbonylContact C-O 3.48Å; F61-Q71 VanDerWaalsContact C-O 3.31Å; F61-Q71 WeakPolarHBondContact CA-O 3.16Å; F61-F120 AromaticContact CE1-CE2 3.76Å; F61-F120 HydrophobicContact CE1-CE2 3.76Å; F61-F120 HydrophobicContact CE1-CZ 4.07Å; F61-F120 AromaticContact CZ-CE2 3.94Å; F61-F120 HydrophobicContact CZ-CE2 3.94Å; F61-F120 AromaticContact CZ-CZ 3.94Å; F61-F120 HydrophobicContact CZ-CZ 3.94Å; F61-I122 HydrophobicContact CE1-CD1 4.39Å; F61-I122 HydrophobicContact CZ-CD1 4.47Å; F61-M150 HydrophobicContact CD1-CE 3.59Å; F61-M150 HydrophobicContact CD2-CE 3.54Å; F61-M150 HydrophobicContact CE1-CE 3.5Å; F61-M150 HydrophobicContact CE2-CE 3.44Å; F61-M150 VanDerWaalsContact CE2-CE 3.44Å; F61-M150 HydrophobicContact CG-CE 3.61Å; F61-M150 HydrophobicContact CZ-CE 3.43Å; F61-M150 VanDerWaalsContact CZ-CE 3.43Å; F61-P160 VanDerWaalsContact O-CG 3.26Å; F61-P160 WeakPolarHBondContact O-CG 3.29Å; F61-V164 HydrophobicContact CB-CB 4.12Å; F61-V164 HydrophobicContact CB-CG1 4.13Å; F61-V164 HydrophobicContact CD2-CG1 3.81Å; F61-V164 HydrophobicContact CG-CG1 4.24Å; F61-V164 PolarHBondContact N-O 2.66Å; F61-I166 HydrophobicContact CD2-CG1 4.34Å; F61-I166 HydrophobicContact CE2-CD1 3.9Å; F61-I166 HydrophobicContact CE2-CG1 3.63Å; F61-I166 HydrophobicContact CZ-CD1 4.29Å; F61-I166 HydrophobicContact CZ-CG1 4.43Å
62H98.7Very high98.5Very high27 Ų2740.4 Ų40.413%0.12520%0.201CC..  trans-73.5-16.1-173.258.7-89.7000113.5I60 Q71 G78 G80 Q119I60-H62 HydrophobicContact CD1-CB 4.23Å; I60-H62 HydrophobicContact CG1-CB 4.15Å; I60-H62 PolarHBondContact O-N 3.43Å; H62-Q71 PolarHBondContact N-O 2.98Å; H62-Q71 PolarHBondContact NE2-NE2 2.95Å; H62-G78 WeakPolarHBondContact CB-O 3.17Å; H62-G80 VanDerWaalsContact NE2-CA 3.29Å; H62-G80 WeakPolarHBondContact NE2-CA 3.34Å; H62-Q119 PolarHBondContact CE1-OE1 3.06Å; H62-Q119 PolarHBondContact NE2-OE1 2.83Å
63R98.8Very high98.6Very high100 Ų10035.6 Ų35.638%0.37718%0.18SC..EExtended strand (participates in β ladder)trans-139.6112179.6-170.8-173.3177.2-147.12.8111.7F61 M69 Q71 G158F61-R63 VanDerWaalsContact C-N 3.26Å; F61-R63 PolarHBondContact O-N 3.49Å; R63-M69 HydrophobicContact CG-CE 4.15Å; R63-Q71 HydrophobicContact CB-CB 4.2Å; R63-Q71 PolarHBondContact N-O 3.32Å; R63-Q71 WeakPolarHBondContact O-CA 3.31Å; R63-Q71 WeakPolarHBondContact O-CB 3.41Å; R63-Q71 PolarHBondContact O-N 2.88Å; R63-G158 CarbonylContact C-O 3.59Å; R63-G158 WeakPolarHBondContact CA-O 3.39Å
64I98.8Very high98.6Very high0 Ų032.4 Ų32.40%016%0.159CC..EExtended strand (participates in β ladder)trans-127117.3-179.7-57176.5000109.1F61 C70 G154 T155 G158 P160 V164F61-I64 HydrophobicContact CB-CD1 3.94Å; F61-I64 HydrophobicContact CB-CG1 4.07Å; I64-C70 HydrophobicContact CG1-CB 4.34Å; I64-G154 WeakPolarHBondContact O-CA 3.46Å; I64-T155 PolarHBondContact O-N 3.26Å; I64-G158 PolarHBondContact N-O 2.89Å; I64-G158 CarbonylContact O-C 3.41Å; I64-G158 WeakPolarHBondContact O-CA 3.49Å; I64-P160 HydrophobicContact CB-CG 4.44Å; I64-P160 HydrophobicContact CD1-CB 4.2Å; I64-P160 HydrophobicContact CD1-CG 3.95Å; I64-P160 HydrophobicContact CG1-CG 4.05Å; I64-V164 HydrophobicContact CD1-CB 4.04Å; I64-V164 HydrophobicContact CD1-CG1 4.46Å; I64-V164 HydrophobicContact CD1-CG2 3.67Å
65I98.7Very high98.6Very high26 Ų2633.2 Ų33.213%0.13316%0.162CC..EExtended strand (participates in β ladder)trans-117.6115.4179.5-60.5175.7000108.4F68 M69I65-F68 HydrophobicContact CB-CB 4.07Å; I65-F68 HydrophobicContact CB-CD1 3.96Å; I65-F68 HydrophobicContact CD1-CD1 3.95Å; I65-F68 HydrophobicContact CD1-CE1 4.34Å; I65-F68 HydrophobicContact CG2-CB 3.86Å; I65-F68 HydrophobicContact CG2-CD1 4.02Å; I65-F68 HydrophobicContact CG2-CG 4.46Å; I65-F68 WeakPolarHBondContact O-CB 3.34Å; I65-F68 PolarHBondContact O-N 3.46Å; I65-M69 HydrophobicContact CB-CE 3.89Å; I65-M69 HydrophobicContact CD1-CE 3.78Å; I65-M69 HydrophobicContact CG1-CE 3.71Å; I65-M69 PolarHBondContact N-O 3.38Å; I65-M69 PolarHBondContact O-N 3.21Å; I65-M69 VanDerWaalsContact O-N 3.14Å
66P98.6Very high98.6Very high50 Ų5032.4 Ų32.433%0.32516%0.16SC..THydrogen-bonded Turntrans-59.6144.3177.5-23.634.2000112.8F68 E151P66-F68 PolarHBondContact O-N 3.18Å; P66-E151 HydrophobicContact CB-CG 4.3Å
67N98.1Very high98.5Very high124 Ų12440.5 Ų40.566%0.66319%0.191SC*.THydrogen-bonded Turntrans55.932.5-171.6-55.2-65.2000113.2V125 E151N67-V125 HydrophobicContact CB-CG1 4.31Å; N67-V125 WeakPolarHBondContact O-CG2 3.42Å; N67-E151 WeakPolarHBondContact CA-OE1 3.43Å; N67-E151 PolarHBondContact N-OE1 3.46Å
68F98.4Very high98.4Very high40 Ų4037.4 Ų37.418%0.17519%0.185CC..THydrogen-bonded Turntrans-145.5-78.3176.9-176.3-154.4000111.8I65 P66 T124 T127 W129 L130I65-F68 HydrophobicContact CB-CB 4.07Å; I65-F68 HydrophobicContact CB-CD1 3.96Å; I65-F68 HydrophobicContact CD1-CD1 3.95Å; I65-F68 HydrophobicContact CD1-CE1 4.34Å; I65-F68 HydrophobicContact CG2-CB 3.86Å; I65-F68 HydrophobicContact CG2-CD1 4.02Å; I65-F68 HydrophobicContact CG2-CG 4.46Å; I65-F68 WeakPolarHBondContact O-CB 3.34Å; I65-F68 PolarHBondContact O-N 3.46Å; P66-F68 PolarHBondContact O-N 3.18Å; F68-T124 VanDerWaalsContact C-OG1 3.32Å; F68-T124 PolarHBondContact N-OG1 3.07Å; F68-T124 VanDerWaalsContact N-OG1 3.12Å; F68-T124 PolarHBondContact O-N 2.76Å; F68-T124 PolarHBondContact O-OG1 2.84Å; F68-T127 HydrophobicContact CD2-CG2 3.63Å; F68-T127 HydrophobicContact CE2-CG2 3.81Å; F68-W129 AromaticContact CD2-CZ2 3.79Å; F68-W129 HydrophobicContact CD2-CZ2 3.79Å; F68-W129 AromaticContact CE2-CZ2 3.69Å; F68-W129 HydrophobicContact CE2-CZ2 3.69Å; F68-W129 AromaticContact CE2-NE1 3.86Å; F68-L130 HydrophobicContact CE2-CD1 3.98Å; F68-L130 HydrophobicContact CZ-CD1 4.34Å
69M98.5Very high98.4Very high3 Ų337.1 Ų37.12%0.01518%0.183CC..EExtended strand (participates in β ladder)trans-167.1163.2-173.660.480.6-128.100113.9R63 I65 Q71 F121 I122R63-M69 HydrophobicContact CG-CE 4.15Å; I65-M69 HydrophobicContact CB-CE 3.89Å; I65-M69 HydrophobicContact CD1-CE 3.78Å; I65-M69 HydrophobicContact CG1-CE 3.71Å; I65-M69 PolarHBondContact N-O 3.38Å; I65-M69 PolarHBondContact O-N 3.21Å; I65-M69 VanDerWaalsContact O-N 3.14Å; M69-Q71 HydrophobicContact CE-CB 4.39Å; M69-Q71 HydrophobicContact SD-CB 3.6Å; M69-Q71 VanDerWaalsContact SD-CB 3.6Å; M69-F121 HydrophobicContact CB-CB 4.23Å; M69-F121 HydrophobicContact CB-CD2 4.06Å; M69-F121 HydrophobicContact CB-CG 4.49Å; M69-F121 HydrophobicContact CG-CB 4.3Å; M69-F121 HydrophobicContact CG-CD2 4.38Å; M69-F121 HydrophobicContact SD-CB 3.9Å; M69-I122 CarbonylContact C-O 3.57Å; M69-I122 VanDerWaalsContact CA-O 3.23Å; M69-I122 WeakPolarHBondContact CA-O 3.31Å; M69-I122 WeakPolarHBondContact CB-O 3.36Å
70C98.8Very high98.3Very high0 Ų038 Ų380%019%0.194CC..EExtended strand (participates in β ladder)trans-113.4116.3167.5-56.80000109.5F61 I64 F121 I122 M150F61-C70 HydrophobicContact CD1-CB 3.92Å; F61-C70 HydrophobicContact CE1-CB 4.28Å; I64-C70 HydrophobicContact CG1-CB 4.34Å; C70-F121 CarbonylContact O-C 3.55Å; C70-F121 VanDerWaalsContact O-CA 3.22Å; C70-F121 WeakPolarHBondContact O-CA 3.44Å; C70-I122 PolarHBondContact N-O 2.92Å; C70-I122 PolarHBondContact O-N 2.86Å; C70-M150 HydrophobicContact CB-CE 4.12Å
71Q98.9Very high98.2Very high23 Ų2340.5 Ų40.511%0.10721%0.211CC..EExtended strand (participates in β ladder)trans-107135.2-178.6174.9-178.6-11.600111.6F61 H62 R63 M69 A109 F120 F121F61-Q71 CarbonylContact C-O 3.48Å; F61-Q71 VanDerWaalsContact C-O 3.31Å; F61-Q71 WeakPolarHBondContact CA-O 3.16Å; H62-Q71 PolarHBondContact N-O 2.98Å; H62-Q71 PolarHBondContact NE2-NE2 2.95Å; R63-Q71 HydrophobicContact CB-CB 4.2Å; R63-Q71 PolarHBondContact N-O 3.32Å; R63-Q71 WeakPolarHBondContact O-CA 3.31Å; R63-Q71 WeakPolarHBondContact O-CB 3.41Å; R63-Q71 PolarHBondContact O-N 2.88Å; M69-Q71 HydrophobicContact CE-CB 4.39Å; M69-Q71 HydrophobicContact SD-CB 3.6Å; M69-Q71 VanDerWaalsContact SD-CB 3.6Å; Q71-A109 HydrophobicContact CG-CB 4.42Å; Q71-F120 VanDerWaalsContact CA-O 3.29Å; Q71-F120 WeakPolarHBondContact CA-O 3.34Å; Q71-F120 WeakPolarHBondContact CG-O 3.12Å; Q71-F121 HydrophobicContact CB-CB 4.02Å
72G98.8Very high98.1Very high0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-147.9-163.4-179.400000112.4I60 Q119 F120I60-G72 WeakPolarHBondContact O-CA 3.36Å; G72-Q119 VanDerWaalsContact O-CA 3.3Å; G72-Q119 WeakPolarHBondContact O-CA 3.43Å; G72-F120 PolarHBondContact N-O 3.16Å; G72-F120 PolarHBondContact O-N 3.39Å; G72-F120 VanDerWaalsContact O-N 3.12Å
73G98.6Very high98.1Very high0 Ų040.5 Ų40.50%022%0.217CC..  trans91.73.9171.700000116.4F75 S118G73-F75 PolarHBondContact O-N 2.87Å; G73-F75 VanDerWaalsContact O-N 3.17Å; G73-S118 WeakPolarHBondContact O-CB 3.26Å; G73-S118 PolarHBondContact O-OG 3.12Å
74D98.5Very high98.1Very high1 Ų136 Ų361%0.00520%0.201CC..  trans-83.582.9168.4179.95000110.3T76 R77 G78 N79 G80 T81 G82 G83 Q119D74-T76 PolarHBondContact O-N 2.7Å; D74-T76 PolarHBondContact OD1-N 3.43Å; D74-T76 VanDerWaalsContact OD1-N 3.16Å; D74-T76 PolarHBondContact OD1-OG1 2.94Å; D74-R77 PolarHBondContact OD1-N 2.83Å; D74-G78 VanDerWaalsContact CG-N 3.29Å; D74-G78 VanDerWaalsContact O-CA 3.26Å; D74-G78 WeakPolarHBondContact O-CA 3.42Å; D74-G78 PolarHBondContact O-N 2.95Å; D74-G78 VanDerWaalsContact O-N 3.1Å; D74-G78 PolarHBondContact OD1-N 2.88Å; D74-G78 PolarHBondContact OD2-N 2.82Å; D74-N79 PolarHBondContact OD2-N 2.69Å; D74-G80 PolarHBondContact OD2-N 3.06Å; D74-T81 PolarHBondContact OD2-N 3.24Å; D74-G82 VanDerWaalsContact OD1-CA 3.3Å; D74-G82 WeakPolarHBondContact OD1-CA 3.47Å; D74-G82 PolarHBondContact OD2-N 2.77Å; D74-G82 VanDerWaalsContact OD2-N 3.11Å; D74-G83 PolarHBondContact OD1-N 2.74Å; D74-Q119 HydrophobicContact CB-CG 4.11Å
75F98.1Very high98Very high27 Ų2736 Ų3612%0.11820%0.201CC..THydrogen-bonded Turntrans-79.3-2.3178.255.7-106.5000113.8L40 K52 P53 L54 H55 Y56 G73 E84 S118L40-F75 HydrophobicContact CD1-CE1 4.42Å; L40-F75 HydrophobicContact CD2-CE1 3.7Å; L40-F75 HydrophobicContact CD2-CZ 4.1Å; K52-F75 HydrophobicContact CB-CD2 4.43Å; P53-F75 VanDerWaalsContact O-CD2 3.31Å; P53-F75 WeakPolarHBondContact O-CD2 3.39Å; P53-F75 WeakPolarHBondContact O-CE2 3.38Å; L54-F75 HydrophobicContact CD2-CE2 4.31Å; L54-F75 HydrophobicContact CD2-CZ 3.84Å; H55-F75 WeakPolarHBondContact O-CB 3.36Å; Y56-F75 HydrophobicContact CD1-CD1 4.17Å; Y56-F75 HydrophobicContact CE1-CD1 4.31Å; G73-F75 PolarHBondContact O-N 2.87Å; G73-F75 VanDerWaalsContact O-N 3.17Å; F75-E84 HydrophobicContact CE2-CG 4.02Å; F75-E84 HydrophobicContact CZ-CG 3.85Å; F75-E84 VanDerWaalsContact CZ-O 3.29Å; F75-E84 WeakPolarHBondContact CZ-O 3.36Å; F75-S118 WeakPolarHBondContact CE1-OG 3.5Å
76T97.6Very high98Very high26 Ų2636.3 Ų36.316%0.1620%0.203CC..THydrogen-bonded Turntrans-100.2-38.5-176.965.30000113.3L50 K52 D74 G82 G83L50-T76 HydrophobicContact CB-CG2 4.3Å; L50-T76 HydrophobicContact CD1-CG2 3.91Å; K52-T76 HydrophobicContact CB-CG2 4.16Å; K52-T76 HydrophobicContact CG-CG2 4.26Å; D74-T76 PolarHBondContact O-N 2.7Å; D74-T76 PolarHBondContact OD1-N 3.43Å; D74-T76 VanDerWaalsContact OD1-N 3.16Å; D74-T76 PolarHBondContact OD1-OG1 2.94Å; T76-G82 VanDerWaalsContact OG1-CA 3.3Å; T76-G82 WeakPolarHBondContact OG1-CA 3.41Å; T76-G83 PolarHBondContact OG1-N 2.89Å
77R97.4Very high98Very high169 Ų16938 Ų3864%0.63820%0.203SC*.THydrogen-bonded Turntrans-126.5-17.3-177-63.6-175.7176.4-1650.2113.4D74 N79 T81D74-R77 PolarHBondContact OD1-N 2.83Å; R77-N79 PolarHBondContact O-N 3.2Å; R77-T81 WeakPolarHBondContact CD-OG1 3.32Å; R77-T81 PolarHBondContact NH1-OG1 3.46Å
78G97.2Very high97.8Very high26 Ų2632.6 Ų32.627%0.26818%0.176SC..SBendtrans67.312.9176.400000115.1I60 H62 D74I60-G78 WeakPolarHBondContact CD1-O 3.45Å; H62-G78 WeakPolarHBondContact CB-O 3.17Å; D74-G78 VanDerWaalsContact CG-N 3.29Å; D74-G78 VanDerWaalsContact O-CA 3.26Å; D74-G78 WeakPolarHBondContact O-CA 3.42Å; D74-G78 PolarHBondContact O-N 2.95Å; D74-G78 VanDerWaalsContact O-N 3.1Å; D74-G78 PolarHBondContact OD1-N 2.88Å; D74-G78 PolarHBondContact OD2-N 2.82Å
79N97.6Very high97.6Very high95 Ų9536.7 Ų36.751%0.50820%0.196SC..SBendtrans-132.56.9-172.466.910.6000114D74 R77 T81D74-N79 PolarHBondContact OD2-N 2.69Å; R77-N79 PolarHBondContact O-N 3.2Å; N79-T81 WeakPolarHBondContact OD1-CB 3.26Å; N79-T81 WeakPolarHBondContact OD1-CG2 3.14Å; N79-T81 PolarHBondContact OD1-N 3.01Å; N79-T81 PolarHBondContact OD1-OG1 3.03Å
80G97.1Very high97.5Very high25 Ų2542 Ų4226%0.25822%0.219SC..SBendtrans88.3-0.4179.400000114.1H62 D74 Q119H62-G80 VanDerWaalsContact NE2-CA 3.29Å; H62-G80 WeakPolarHBondContact NE2-CA 3.34Å; D74-G80 PolarHBondContact OD2-N 3.06Å; G80-Q119 PolarHBondContact O-NE2 3.45Å
81T97Very high97.4Very high89 Ų8942.6 Ų42.655%0.54622%0.222SC..SBendtrans-97.1-0.1177.370.30000113.5D74 R77 N79D74-T81 PolarHBondContact OD2-N 3.24Å; R77-T81 WeakPolarHBondContact CD-OG1 3.32Å; R77-T81 PolarHBondContact NH1-OG1 3.46Å; N79-T81 WeakPolarHBondContact OD1-CB 3.26Å; N79-T81 WeakPolarHBondContact OD1-CG2 3.14Å; N79-T81 PolarHBondContact OD1-N 3.01Å; N79-T81 PolarHBondContact OD1-OG1 3.03Å
82G96.9Very high97.4Very high15 Ų1543.9 Ų43.916%0.15524%0.237CC..  trans-126.7-158.4-179.200000114D74 T76 Q119D74-G82 VanDerWaalsContact OD1-CA 3.3Å; D74-G82 WeakPolarHBondContact OD1-CA 3.47Å; D74-G82 PolarHBondContact OD2-N 2.77Å; D74-G82 VanDerWaalsContact OD2-N 3.11Å; T76-G82 VanDerWaalsContact OG1-CA 3.3Å; T76-G82 WeakPolarHBondContact OG1-CA 3.41Å; G82-Q119 PolarHBondContact O-NE2 2.78Å
83G97.5Very high97.4Very high11 Ų1145.2 Ų45.211%0.11324%0.243CC..  trans101.4153.3-174.500000111.8D74 T76 S118D74-G83 PolarHBondContact OD1-N 2.74Å; T76-G83 PolarHBondContact OG1-N 2.89Å; G83-S118 WeakPolarHBondContact CA-OG 3.4Å
84E98.1Very high97.4Very high5 Ų547.7 Ų47.72%0.02326%0.255CS..  trans-148.3150.3172.362.2174.6129.300109.8G48 K49 L50 L54 F75 S118G48-E84 VanDerWaalsContact C-OE1 3.28Å; G48-E84 VanDerWaalsContact CA-OE1 3.28Å; G48-E84 WeakPolarHBondContact CA-OE1 3.46Å; K49-E84 PolarHBondContact N-OE1 3.3Å; K49-E84 PolarHBondContact N-OE2 3.08Å; L50-E84 VanDerWaalsContact CB-OE1 3.31Å; L50-E84 WeakPolarHBondContact CB-OE1 3.42Å; L50-E84 HydrophobicContact CD1-CB 4.14Å; L50-E84 HydrophobicContact CD1-CG 4.29Å; L50-E84 WeakPolarHBondContact CG-OE1 3.5Å; L50-E84 PolarHBondContact N-OE1 3.48Å; L54-E84 HydrophobicContact CD2-CG 3.54Å; F75-E84 HydrophobicContact CE2-CG 4.02Å; F75-E84 HydrophobicContact CZ-CG 3.85Å; F75-E84 VanDerWaalsContact CZ-O 3.29Å; F75-E84 WeakPolarHBondContact CZ-O 3.36Å; E84-S118 PolarHBondContact N-OG 3Å; E84-S118 WeakPolarHBondContact O-CB 3.28Å
85S98.5Very high97.4Very high1 Ų149.4 Ų49.41%0.00726%0.264CS..BIsolated β-bridgetrans-85.8167.8176.978.20000111.6N36 Y87 G88 F91N36-S85 WeakPolarHBondContact OD1-CA 2.96Å; N36-S85 VanDerWaalsContact OD1-CB 3.3Å; N36-S85 WeakPolarHBondContact OD1-CB 3.44Å; S85-Y87 PolarHBondContact O-N 2.7Å; S85-Y87 VanDerWaalsContact O-N 3.11Å; S85-Y87 PolarHBondContact OG-N 3.41Å; S85-Y87 VanDerWaalsContact OG-N 3.1Å; S85-G88 CarbonylContact C-O 3.52Å; S85-G88 WeakPolarHBondContact CA-O 3.31Å; S85-G88 WeakPolarHBondContact CB-O 3.33Å; S85-G88 PolarHBondContact N-O 3.3Å; S85-G88 PolarHBondContact O-N 2.91Å; S85-G88 VanDerWaalsContact O-O 3.06Å; S85-G88 PolarHBondContact OG-N 3.05Å; S85-G88 PolarHBondContact OG-O 3.17Å; S85-F91 VanDerWaalsContact CB-CD1 3.49Å
86I98.4Very high97.4Very high33 Ų3350.9 Ų50.917%0.16927%0.271CS..THydrogen-bonded Turntrans-65.9-11.5171.170.6169.8000113.4E35 N36 C39 L40 K45E35-I86 HydrophobicContact CG-CD1 4.18Å; N36-I86 HydrophobicContact CB-CD1 4.42Å; N36-I86 HydrophobicContact CB-CG1 4.15Å; N36-I86 PolarHBondContact OD1-N 2.58Å; C39-I86 HydrophobicContact CB-CD1 4.05Å; C39-I86 HydrophobicContact CB-CG2 3.7Å; L40-I86 HydrophobicContact CD2-CG2 4.18Å; L40-I86 HydrophobicContact CG-CG2 4.1Å; K45-I86 HydrophobicContact CB-CG2 4.45Å; K45-I86 HydrophobicContact CG-CB 4.15Å; K45-I86 HydrophobicContact CG-CG2 3.86Å
87Y97.7Very high97.4Very high85 Ų8555.4 Ų55.433%0.33329%0.294SS..THydrogen-bonded Turntrans-98.30.1179.9-49.9-58.9000112.9R32 N36 S85 F91R32-Y87 WeakPolarHBondContact CA-OH 3.22Å; R32-Y87 HydrophobicContact CB-CE2 4.32Å; R32-Y87 WeakPolarHBondContact O-CE2 3.44Å; R32-Y87 PolarHBondContact O-OH 3.12Å; N36-Y87 HydrophobicContact CB-CE2 3.81Å; S85-Y87 PolarHBondContact O-N 2.7Å; S85-Y87 VanDerWaalsContact O-N 3.11Å; S85-Y87 PolarHBondContact OG-N 3.41Å; S85-Y87 VanDerWaalsContact OG-N 3.1Å; Y87-F91 HydrophobicContact CD2-CB 3.99Å; Y87-F91 HydrophobicContact CD2-CD1 4.09Å; Y87-F91 HydrophobicContact CD2-CD2 4.32Å; Y87-F91 AromaticContact CD2-CG 3.89Å; Y87-F91 HydrophobicContact CD2-CG 3.89Å; Y87-F91 HydrophobicContact CE2-CG 4.5Å
88G94.9Very high97.5Very high10 Ų1049.8 Ų49.810%0.10328%0.276CS..BIsolated β-bridgetrans120.6-168.6-170.500000111.9S85 K90S85-G88 CarbonylContact C-O 3.52Å; S85-G88 WeakPolarHBondContact CA-O 3.31Å; S85-G88 WeakPolarHBondContact CB-O 3.33Å; S85-G88 PolarHBondContact N-O 3.3Å; S85-G88 PolarHBondContact O-N 2.91Å; S85-G88 VanDerWaalsContact O-O 3.06Å; S85-G88 PolarHBondContact OG-N 3.05Å; S85-G88 PolarHBondContact OG-O 3.17Å; G88-K90 VanDerWaalsContact C-N 3.29Å; G88-K90 PolarHBondContact O-N 2.83Å
89E93.1Very high97.5Very high127 Ų12753 Ų5359%0.59328%0.283SS*.SBendtrans-56-44.8-174.9-166.6-170.8149.600112.1
90K96.1Very high97.6Very high113 Ų11348.6 Ų48.649%0.49126%0.259SS..  trans-139.1154.4-179-65.1173.5-177.4177.10112G88 T115 N116G88-K90 VanDerWaalsContact C-N 3.29Å; G88-K90 PolarHBondContact O-N 2.83Å; K90-T115 HydrophobicContact CD-CG2 4.02Å; K90-N116 CarbonylContact C-O 3.31Å; K90-N116 WeakPolarHBondContact CA-O 3.3Å
91F98.4Very high97.6Very high13 Ų1352 Ų526%0.05728%0.276CS..BIsolated β-bridgetrans-135.9160.7170.271.5-81.5000112.4T33 N36 S85 Y87 M108 N114 N116 G117T33-F91 HydrophobicContact CG2-CE2 4.34Å; T33-F91 HydrophobicContact CG2-CZ 4.21Å; N36-F91 HydrophobicContact CB-CZ 4.5Å; S85-F91 VanDerWaalsContact CB-CD1 3.49Å; Y87-F91 HydrophobicContact CD2-CB 3.99Å; Y87-F91 HydrophobicContact CD2-CD1 4.09Å; Y87-F91 HydrophobicContact CD2-CD2 4.32Å; Y87-F91 AromaticContact CD2-CG 3.89Å; Y87-F91 HydrophobicContact CD2-CG 3.89Å; Y87-F91 HydrophobicContact CE2-CG 4.5Å; F91-M108 HydrophobicContact CE1-CE 4.06Å; F91-M108 HydrophobicContact CZ-CE 4.01Å; F91-M108 HydrophobicContact CZ-SD 4.43Å; F91-N114 CarbonylContact O-C 3.41Å; F91-N116 HydrophobicContact CD1-CB 3.77Å; F91-N116 WeakPolarHBondContact CD1-O 3.08Å; F91-N116 HydrophobicContact CD2-CB 4.17Å; F91-N116 HydrophobicContact CE1-CB 3.42Å; F91-N116 VanDerWaalsContact CE1-CB 3.42Å; F91-N116 HydrophobicContact CE2-CB 3.84Å; F91-N116 HydrophobicContact CG-CB 4.13Å; F91-N116 HydrophobicContact CZ-CB 3.46Å; F91-N116 VanDerWaalsContact CZ-CB 3.46Å; F91-N116 PolarHBondContact N-O 3.22Å; F91-N116 WeakPolarHBondContact O-CB 3.32Å; F91-N116 PolarHBondContact O-N 3.48Å; F91-N116 PolarHBondContact O-ND2 3.42Å; F91-G117 WeakPolarHBondContact CE1-O 3.36Å
92A98.2Very high97.6Very high51 Ų5148.4 Ų48.442%0.42126%0.255SS..  trans-66.5157.3-175.600000113.4E94 N114 N116A92-E94 PolarHBondContact O-N 3.46Å; A92-N114 WeakPolarHBondContact CA-OD1 3.2Å; A92-N114 HydrophobicContact CB-CB 4.39Å; A92-N114 WeakPolarHBondContact CB-OD1 3.46Å; A92-N116 PolarHBondContact O-ND2 3.35Å
93D98.6Very high97.6Very high27 Ų2751.6 Ų51.614%0.14427%0.273CS..  trans-67.4120167.9-61.7-48.1000108.9F96 A113 N114 N116 V135D93-F96 HydrophobicContact CB-CE1 4.24Å; D93-F96 HydrophobicContact CB-CE2 4.11Å; D93-F96 HydrophobicContact CB-CZ 3.57Å; D93-A113 WeakPolarHBondContact OD2-CA 3.17Å; D93-N114 PolarHBondContact N-OD1 3.38Å; D93-N114 PolarHBondContact OD2-N 3.04Å; D93-N116 PolarHBondContact N-ND2 2.88Å; D93-N116 PolarHBondContact OD1-ND2 3.02Å; D93-V135 HydrophobicContact CB-CG2 3.99Å
94E98.4Very high97.7Very high53 Ų5351.2 Ų51.225%0.24827%0.269CS..  trans-74.4-48.9-173.2-174167.2-161.600112.5V30 P31 R32 T33 A92V30-E94 VanDerWaalsContact C-CD 3.48Å; V30-E94 VanDerWaalsContact CA-CD 3.45Å; V30-E94 VanDerWaalsContact CA-OE2 3.26Å; V30-E94 WeakPolarHBondContact CA-OE2 3.48Å; V30-E94 HydrophobicContact CB-CG 4.41Å; V30-E94 VanDerWaalsContact CB-OE2 3.29Å; V30-E94 WeakPolarHBondContact CB-OE2 3.03Å; V30-E94 HydrophobicContact CG1-CB 4.27Å; V30-E94 HydrophobicContact CG1-CG 4.23Å; P31-E94 WeakPolarHBondContact CD-OE1 3.37Å; P31-E94 WeakPolarHBondContact CG-OE1 3.48Å; R32-E94 WeakPolarHBondContact CB-OE1 3.33Å; R32-E94 PolarHBondContact N-OE1 3.38Å; R32-E94 PolarHBondContact N-OE2 3.27Å; T33-E94 WeakPolarHBondContact CB-OE2 3.39Å; T33-E94 PolarHBondContact N-OE2 3.36Å; T33-E94 WeakPolarHBondContact OG1-CB 3.29Å; T33-E94 PolarHBondContact OG1-OE2 3.03Å; A92-E94 PolarHBondContact O-N 3.46Å
95N98.4Very high97.7Very high37 Ų3751.5 Ų51.520%0.19827%0.272CS..  trans-169.8175.2165.761.576.7000110.2V29 V30 N97V29-N95 PolarHBondContact O-ND2 2.81Å; V30-N95 WeakPolarHBondContact CG1-ND2 3.23Å; N95-N97 WeakPolarHBondContact OD1-CB 3.11Å; N95-N97 PolarHBondContact OD1-N 3.16Å; N95-N97 PolarHBondContact OD1-ND2 3.41Å
96F98.3Very high97.7Very high57 Ų5751.4 Ų51.425%0.2527%0.271CS..  trans-125.534.6177.4-55.6-69.6000112.5D93 L98 K99 G132 V135D93-F96 HydrophobicContact CB-CE1 4.24Å; D93-F96 HydrophobicContact CB-CE2 4.11Å; D93-F96 HydrophobicContact CB-CZ 3.57Å; F96-L98 VanDerWaalsContact C-N 3.32Å; F96-K99 PolarHBondContact O-NZ 2.67Å; F96-G132 WeakPolarHBondContact CE2-O 3.39Å; F96-G132 WeakPolarHBondContact CZ-O 3.47Å; F96-V135 HydrophobicContact CD1-CG2 4.31Å; F96-V135 HydrophobicContact CE1-CG2 3.87Å
97N98.3Very high97.8Very high121 Ų12149.9 Ų49.965%0.64726%0.263SS*.  trans-65.8-38.9-178.2-68.6-13.6000111.3V29 N95V29-N97 HydrophobicContact CG1-CB 4.27Å; N95-N97 WeakPolarHBondContact OD1-CB 3.11Å; N95-N97 PolarHBondContact OD1-N 3.16Å; N95-N97 PolarHBondContact OD1-ND2 3.41Å
98L98.3Very high97.8Very high51 Ų5145.8 Ų45.827%0.26725%0.247SC..SBendtrans-84.4149.9176.9-60.8173.2000110.7F26 V29 F96 V136F26-L98 HydrophobicContact CB-CD1 4.05Å; F26-L98 HydrophobicContact CD2-CD1 3.25Å; F26-L98 HydrophobicContact CE2-CD1 3.92Å; F26-L98 HydrophobicContact CG-CD1 3.96Å; V29-L98 HydrophobicContact CB-CD1 4.23Å; V29-L98 HydrophobicContact CG1-CD1 4.08Å; V29-L98 HydrophobicContact CG1-CG 4.06Å; V29-L98 HydrophobicContact CG2-CD1 4.49Å; F96-L98 VanDerWaalsContact C-N 3.32Å; L98-V136 HydrophobicContact CB-CB 3.79Å; L98-V136 HydrophobicContact CB-CG1 3.81Å; L98-V136 HydrophobicContact CD1-CG1 4.23Å
99K98.6Very high98Very high95 Ų9545.8 Ų45.841%0.41325%0.246SC..  trans-118.1157.4-175.8-55.5-60.1175.4-162.40110.8F96 T101 D131F96-K99 PolarHBondContact O-NZ 2.67Å; K99-T101 HydrophobicContact CB-CG2 4.06Å; K99-T101 PolarHBondContact O-N 3.38Å; K99-D131 WeakPolarHBondContact CA-OD1 3.47Å; K99-D131 HydrophobicContact CD-CB 4Å
100H98.6Very high98.2Very high1 Ų141.5 Ų41.51%0.00523%0.227CC..  trans-80.570.5177.1-58.380.6000110.5G102 S107 F121 R126 T127 L130 D131 H134 V136H100-G102 PolarHBondContact O-N 2.94Å; H100-S107 WeakPolarHBondContact NE2-CB 3.39Å; H100-S107 PolarHBondContact NE2-OG 3.11Å; H100-F121 AromaticContact CD2-CE2 3.98Å; H100-F121 AromaticContact NE2-CZ 3.73Å; H100-R126 WeakPolarHBondContact O-CG 3.1Å; H100-T127 VanDerWaalsContact CB-OG1 3.25Å; H100-T127 WeakPolarHBondContact CB-OG1 3.42Å; H100-T127 PolarHBondContact O-N 3.49Å; H100-L130 PolarHBondContact CE1-O 3.48Å; H100-D131 IonicContact CE1-OD1 2.77Å; H100-D131 IonicContact CG-OD1 3.57Å; H100-D131 PolarHBondContact N-OD1 3.38Å; H100-D131 IonicContact ND1-OD1 2.77Å; H100-D131 PolarHBondContact ND1-OD1 2.97Å; H100-H134 PolarHBondContact CE1-O 2.85Å; H100-V136 WeakPolarHBondContact NE2-CG2 3.29Å
101T97.1Very high98.2Very high98 Ų9840.5 Ų40.560%0.60124%0.24SC*.  trans-74-19.8-166.249.40000114.8K99K99-T101 HydrophobicContact CB-CG2 4.06Å; K99-T101 PolarHBondContact O-N 3.38Å
102G96.8Very high98.1Very high12 Ų1241.6 Ų41.612%0.12426%0.255CS..SBendtrans173.8-170.2-177.200000114.4H100 T105 T123 V125H100-G102 PolarHBondContact O-N 2.94Å; G102-T105 PolarHBondContact O-OG1 3.17Å; G102-T123 PolarHBondContact O-OG1 2.96Å; G102-V125 CarbonylContact C-O 3.56Å
103P98.4Very high98Very high82 Ų8242.7 Ų42.753%0.53226%0.264SS..THydrogen-bonded Turntrans-57.5145.4176.4-17.728.7000112.1T105 T123 T124 M144P103-T105 VanDerWaalsContact C-N 3.34Å; P103-T123 CarbonylContact C-O 3.59Å; P103-T123 WeakPolarHBondContact CA-O 3.3Å; P103-T124 WeakPolarHBondContact CB-O 3.44Å; P103-T124 VanDerWaalsContact CG-O 3.3Å; P103-T124 WeakPolarHBondContact CG-O 3.26Å; P103-M144 HydrophobicContact CB-CE 3.7Å
104G98.6Very high97.9Very high3 Ų345.8 Ų45.83%0.03128%0.281CS..THydrogen-bonded Turntrans83.92.317800000114.7L106 T123 A139 V140 M144G104-L106 PolarHBondContact O-N 3.2Å; G104-T123 PolarHBondContact N-O 2.86Å; G104-A139 CarbonylContact O-C 3.57Å; G104-A139 VanDerWaalsContact O-CA 3.29Å; G104-A139 WeakPolarHBondContact O-CA 3.36Å; G104-V140 PolarHBondContact O-N 2.67Å; G104-M144 WeakPolarHBondContact CA-SD 3.21Å
105T98.8Very high97.9Very high11 Ų1144.7 Ų44.77%0.06728%0.278CS..EExtended strand (participates in β ladder)trans-71.6128.7175.7-52.20000109.6G102 P103 I122 T123 V136G102-T105 PolarHBondContact O-OG1 3.17Å; P103-T105 VanDerWaalsContact C-N 3.34Å; T105-I122 WeakPolarHBondContact O-CA 3.39Å; T105-T123 WeakPolarHBondContact CB-OG1 3.3Å; T105-T123 PolarHBondContact N-OG1 2.68Å; T105-T123 PolarHBondContact O-N 2.97Å; T105-T123 PolarHBondContact O-OG1 3.36Å; T105-V136 HydrophobicContact CG2-CB 4.25Å; T105-V136 HydrophobicContact CG2-CG1 3.44Å; T105-V136 VanDerWaalsContact CG2-CG1 3.44Å; T105-V136 HydrophobicContact CG2-CG2 3.8Å
106L98.9Very high97.9Very high0 Ų042.9 Ų42.90%027%0.268CS..EExtended strand (participates in β ladder)trans-96.3127.9174.6-176.869.8000110.1I23 L25 F37 G104 F120 I122 F137 G138I23-L106 HydrophobicContact CD1-CD2 4.32Å; I23-L106 HydrophobicContact CG2-CB 4.33Å; I23-L106 HydrophobicContact CG2-CD2 3.53Å; L25-L106 HydrophobicContact CD2-CD2 3.98Å; F37-L106 HydrophobicContact CD1-CD2 4.19Å; F37-L106 HydrophobicContact CD2-CD2 4.39Å; F37-L106 HydrophobicContact CE1-CD2 3.81Å; F37-L106 HydrophobicContact CE2-CD1 4.2Å; F37-L106 HydrophobicContact CE2-CD2 4.03Å; F37-L106 HydrophobicContact CG-CD2 4.45Å; F37-L106 HydrophobicContact CZ-CD1 4.11Å; F37-L106 HydrophobicContact CZ-CD2 3.7Å; G104-L106 PolarHBondContact O-N 3.2Å; L106-F120 HydrophobicContact CD1-CB 4.23Å; L106-F120 HydrophobicContact CD1-CD2 3.47Å; L106-F120 VanDerWaalsContact CD1-CD2 3.47Å; L106-F120 HydrophobicContact CD1-CE2 4.15Å; L106-F120 HydrophobicContact CD1-CG 4.15Å; L106-I122 HydrophobicContact CD1-CG1 3.83Å; L106-F137 HydrophobicContact CD1-CZ 4.11Å; L106-F137 HydrophobicContact CD2-CD2 3.93Å; L106-F137 HydrophobicContact CD2-CE1 4.41Å; L106-F137 HydrophobicContact CD2-CE2 3.18Å; L106-F137 HydrophobicContact CD2-CZ 3.5Å; L106-F137 VanDerWaalsContact CD2-CZ 3.5Å; L106-F137 HydrophobicContact CG-CD2 4.35Å; L106-F137 HydrophobicContact CG-CE1 3.96Å; L106-F137 HydrophobicContact CG-CE2 3.65Å; L106-F137 HydrophobicContact CG-CZ 3.44Å; L106-F137 VanDerWaalsContact CG-CZ 3.44Å; L106-F137 PolarHBondContact O-N 2.9Å; L106-G138 WeakPolarHBondContact CB-O 3.27Å; L106-G138 PolarHBondContact N-O 3.18Å; L106-G138 PolarHBondContact O-N 3.39Å
107S98.8Very high97.9Very high0 Ų040.7 Ų40.70%026%0.262CS..EExtended strand (participates in β ladder)trans-147.6153.5-173.3-172.40000112.8H100 F120 F121 H134 V135 F137H100-S107 WeakPolarHBondContact NE2-CB 3.39Å; H100-S107 PolarHBondContact NE2-OG 3.11Å; S107-F120 CarbonylContact O-C 3.57Å; S107-F120 VanDerWaalsContact O-CA 3.32Å; S107-F120 WeakPolarHBondContact O-CA 3.29Å; S107-F121 PolarHBondContact N-O 3.43Å; S107-F121 PolarHBondContact O-N 3.1Å; S107-F121 WeakPolarHBondContact OG-CZ 3.3Å; S107-H134 WeakPolarHBondContact OG-CB 3.47Å; S107-V135 VanDerWaalsContact CA-O 3.31Å; S107-V135 WeakPolarHBondContact CA-O 3.28Å; S107-V135 PolarHBondContact OG-O 3.24Å; S107-V135 VanDerWaalsContact OG-O 3.11Å; S107-F137 VanDerWaalsContact C-CE1 3.41Å
108M98.8Very high97.9Very high0 Ų035 Ų350%023%0.231CC..EExtended strand (participates in β ladder)trans-76.3129.6-175.9-71.6-55-61.400111.4T33 F91 N116 G117 Q119 F121 H134 V135 F137T33-M108 HydrophobicContact CG2-CG 3.59Å; T33-M108 HydrophobicContact CG2-SD 3.93Å; F91-M108 HydrophobicContact CE1-CE 4.06Å; F91-M108 HydrophobicContact CZ-CE 4.01Å; F91-M108 HydrophobicContact CZ-SD 4.43Å; M108-N116 VanDerWaalsContact CB-OD1 3.29Å; M108-N116 WeakPolarHBondContact CB-OD1 3.39Å; M108-N116 HydrophobicContact CE-CB 3.95Å; M108-G117 WeakPolarHBondContact CE-O 3.3Å; M108-Q119 WeakPolarHBondContact CE-O 3.41Å; M108-F121 WeakPolarHBondContact O-CE1 3.39Å; M108-H134 WeakPolarHBondContact O-CB 3.3Å; M108-H134 PolarHBondContact O-ND1 2.92Å; M108-V135 HydrophobicContact CB-CB 4.47Å; M108-V135 HydrophobicContact CG-CB 4.3Å; M108-V135 PolarHBondContact N-O 2.65Å; M108-F137 HydrophobicContact CB-CE1 4.42Å; M108-F137 HydrophobicContact CG-CD1 3.74Å; M108-F137 HydrophobicContact CG-CE1 3.65Å; M108-F137 HydrophobicContact SD-CD1 3.91Å; M108-F137 HydrophobicContact SD-CE1 3.31Å; M108-F137 WeakPolarHBondContact SD-CE1 3.36Å; M108-F137 HydrophobicContact SD-CZ 3.81Å
109A98.5Very high98Very high10 Ų1033.8 Ų33.88%0.08322%0.224CC..  trans-79.5139.4164.300000109.2Q71 Q119 F121Q71-A109 HydrophobicContact CG-CB 4.42Å; A109-Q119 HydrophobicContact CB-CB 3.76Å; A109-Q119 PolarHBondContact N-O 3.36Å; A109-F121 HydrophobicContact CB-CD1 4.23Å
110N97.4Very high98Very high36 Ų3629.2 Ų29.219%0.19320%0.204CC..  trans-149.3168.2179.166.341.4000110.9G112 R133 H134N110-G112 PolarHBondContact OD1-N 3.33Å; N110-R133 PolarHBondContact ND2-O 3Å; N110-H134 PolarHBondContact OD1-CE1 3.41Å
111A96Very high98Very high93 Ų9329.6 Ų29.677%0.76921%0.206SC*.SBendtrans-107.832.317700000111.6T115A111-T115 WeakPolarHBondContact CA-OG1 3.24Å; A111-T115 PolarHBondContact N-OG1 3.07Å
112G95.6Very high98.1Very high35 Ų3524.9 Ų24.936%0.36118%0.177SC..SBendtrans116.4178-171.100000112.8N110 N114 T115N110-G112 PolarHBondContact OD1-N 3.33Å; G112-N114 PolarHBondContact O-N 2.85Å; G112-T115 PolarHBondContact N-OG1 3.21Å; G112-T115 PolarHBondContact O-N 3.25Å; G112-T115 PolarHBondContact O-OG1 2.93Å
113A96.6Very high98.2Very high75 Ų7524.3 Ų24.362%0.6217%0.171SC*.THydrogen-bonded Turntrans-54.1136-17400000112.2D93 T115D93-A113 WeakPolarHBondContact OD2-CA 3.17Å; A113-T115 VanDerWaalsContact C-N 3.31Å; A113-T115 PolarHBondContact O-N 2.66Å
114N97.3Very high98.2Very high91 Ų9121.1 Ų21.149%0.48715%0.15SC..THydrogen-bonded Turntrans59.333.9175.9-54.7-55.5000114.8F91 A92 D93 G112F91-N114 CarbonylContact O-C 3.41Å; A92-N114 WeakPolarHBondContact CA-OD1 3.2Å; A92-N114 HydrophobicContact CB-CB 4.39Å; A92-N114 WeakPolarHBondContact CB-OD1 3.46Å; D93-N114 PolarHBondContact N-OD1 3.38Å; D93-N114 PolarHBondContact OD2-N 3.04Å; G112-N114 PolarHBondContact O-N 2.85Å
115T98Very high98.2Very high30 Ų3022.9 Ų22.918%0.18416%0.16CC..  trans-119.529.1178.664.80000113.9K90 A111 G112 A113 G117K90-T115 HydrophobicContact CD-CG2 4.02Å; A111-T115 WeakPolarHBondContact CA-OG1 3.24Å; A111-T115 PolarHBondContact N-OG1 3.07Å; G112-T115 PolarHBondContact N-OG1 3.21Å; G112-T115 PolarHBondContact O-N 3.25Å; G112-T115 PolarHBondContact O-OG1 2.93Å; A113-T115 VanDerWaalsContact C-N 3.31Å; A113-T115 PolarHBondContact O-N 2.66Å; T115-G117 PolarHBondContact O-N 2.88Å
116N98.5Very high98.1Very high0 Ų030 Ų300%019%0.186CC..BIsolated β-bridgetrans-68.3132.2178.6-57.6-63.3000110.3K90 F91 A92 D93 M108K90-N116 CarbonylContact C-O 3.31Å; K90-N116 WeakPolarHBondContact CA-O 3.3Å; F91-N116 HydrophobicContact CD1-CB 3.77Å; F91-N116 WeakPolarHBondContact CD1-O 3.08Å; F91-N116 HydrophobicContact CD2-CB 4.17Å; F91-N116 HydrophobicContact CE1-CB 3.42Å; F91-N116 VanDerWaalsContact CE1-CB 3.42Å; F91-N116 HydrophobicContact CE2-CB 3.84Å; F91-N116 HydrophobicContact CG-CB 4.13Å; F91-N116 HydrophobicContact CZ-CB 3.46Å; F91-N116 VanDerWaalsContact CZ-CB 3.46Å; F91-N116 PolarHBondContact N-O 3.22Å; F91-N116 WeakPolarHBondContact O-CB 3.32Å; F91-N116 PolarHBondContact O-N 3.48Å; F91-N116 PolarHBondContact O-ND2 3.42Å; A92-N116 PolarHBondContact O-ND2 3.35Å; D93-N116 PolarHBondContact N-ND2 2.88Å; D93-N116 PolarHBondContact OD1-ND2 3.02Å; M108-N116 VanDerWaalsContact CB-OD1 3.29Å; M108-N116 WeakPolarHBondContact CB-OD1 3.39Å; M108-N116 HydrophobicContact CE-CB 3.95Å
117G98.3Very high98.1Very high11 Ų1130 Ų3011%0.11319%0.186CC..  trans-121.5-120.2177.100000111.1N36 F91 M108 T115N36-G117 PolarHBondContact ND2-O 2.81Å; F91-G117 WeakPolarHBondContact CE1-O 3.36Å; M108-G117 WeakPolarHBondContact CE-O 3.3Å; T115-G117 PolarHBondContact O-N 2.88Å
118S98.7Very high98Very high1 Ų132.7 Ų32.71%0.00720%0.204CC..SBendtrans-104.5-13.2170.258.40000114.1Y56 G73 F75 G83 E84Y56-S118 WeakPolarHBondContact CE1-O 3.46Å; Y56-S118 PolarHBondContact OH-O 2.77Å; G73-S118 WeakPolarHBondContact O-CB 3.26Å; G73-S118 PolarHBondContact O-OG 3.12Å; F75-S118 WeakPolarHBondContact CE1-OG 3.5Å; G83-S118 WeakPolarHBondContact CA-OG 3.4Å; E84-S118 PolarHBondContact N-OG 3Å; E84-S118 WeakPolarHBondContact O-CB 3.28Å
119Q98.8Very high98Very high25 Ų2539.7 Ų39.712%0.11723%0.231CC..  trans-73.3141.3-176.7-66.5-173.945.600111.3H62 G72 D74 G80 G82 M108 A109H62-Q119 PolarHBondContact CE1-OE1 3.06Å; H62-Q119 PolarHBondContact NE2-OE1 2.83Å; G72-Q119 VanDerWaalsContact O-CA 3.3Å; G72-Q119 WeakPolarHBondContact O-CA 3.43Å; D74-Q119 HydrophobicContact CB-CG 4.11Å; G80-Q119 PolarHBondContact O-NE2 3.45Å; G82-Q119 PolarHBondContact O-NE2 2.78Å; M108-Q119 WeakPolarHBondContact CE-O 3.41Å; A109-Q119 HydrophobicContact CB-CB 3.76Å; A109-Q119 PolarHBondContact N-O 3.36Å
120F98.9Very high98Very high0 Ų040 Ų400%023%0.231CC..EExtended strand (participates in β ladder)trans-141.8165.1-17866.9-89.6000109.8F9 F37 Y56 F61 Q71 G72 L106 S107 I122 F137 I166F9-F120 HydrophobicContact CD2-CZ 4.47Å; F9-F120 HydrophobicContact CE2-CE1 4.29Å; F9-F120 AromaticContact CE2-CE2 3.82Å; F9-F120 HydrophobicContact CE2-CE2 3.82Å; F9-F120 AromaticContact CE2-CZ 3.43Å; F9-F120 HydrophobicContact CE2-CZ 3.43Å; F9-F120 VanDerWaalsContact CE2-CZ 3.43Å; F9-F120 HydrophobicContact CZ-CE1 4.19Å; F9-F120 HydrophobicContact CZ-CE2 4.48Å; F9-F120 AromaticContact CZ-CZ 3.77Å; F9-F120 HydrophobicContact CZ-CZ 3.77Å; F37-F120 HydrophobicContact CD2-CD1 4.37Å; F37-F120 HydrophobicContact CD2-CG 4.49Å; F37-F120 HydrophobicContact CE2-CB 4Å; F37-F120 AromaticContact CE2-CD1 3.5Å; F37-F120 HydrophobicContact CE2-CD1 3.5Å; F37-F120 VanDerWaalsContact CE2-CD1 3.5Å; F37-F120 HydrophobicContact CE2-CD2 4Å; F37-F120 AromaticContact CE2-CE1 3.85Å; F37-F120 HydrophobicContact CE2-CE1 3.85Å; F37-F120 HydrophobicContact CE2-CE2 4.33Å; F37-F120 AromaticContact CE2-CG 3.57Å; F37-F120 HydrophobicContact CE2-CG 3.57Å; F37-F120 HydrophobicContact CE2-CZ 4.26Å; F37-F120 HydrophobicContact CZ-CD1 4.32Å; F37-F120 HydrophobicContact CZ-CD2 4.36Å; F37-F120 HydrophobicContact CZ-CE1 4.29Å; F37-F120 HydrophobicContact CZ-CE2 4.34Å; F37-F120 HydrophobicContact CZ-CG 4.35Å; F37-F120 HydrophobicContact CZ-CZ 4.3Å; Y56-F120 HydrophobicContact CD1-CE1 4.21Å; Y56-F120 HydrophobicContact CE1-CD1 4.08Å; Y56-F120 AromaticContact CE1-CE1 3.9Å; Y56-F120 HydrophobicContact CE1-CE1 3.9Å; Y56-F120 HydrophobicContact CE2-CE1 4.27Å; Y56-F120 AromaticContact CZ-CD1 3.91Å; Y56-F120 AromaticContact CZ-CE1 3.93Å; F61-F120 AromaticContact CE1-CE2 3.76Å; F61-F120 HydrophobicContact CE1-CE2 3.76Å; F61-F120 HydrophobicContact CE1-CZ 4.07Å; F61-F120 AromaticContact CZ-CE2 3.94Å; F61-F120 HydrophobicContact CZ-CE2 3.94Å; F61-F120 AromaticContact CZ-CZ 3.94Å; F61-F120 HydrophobicContact CZ-CZ 3.94Å; Q71-F120 VanDerWaalsContact CA-O 3.29Å; Q71-F120 WeakPolarHBondContact CA-O 3.34Å; Q71-F120 WeakPolarHBondContact CG-O 3.12Å; G72-F120 PolarHBondContact N-O 3.16Å; G72-F120 PolarHBondContact O-N 3.39Å; G72-F120 VanDerWaalsContact O-N 3.12Å; L106-F120 HydrophobicContact CD1-CB 4.23Å; L106-F120 HydrophobicContact CD1-CD2 3.47Å; L106-F120 VanDerWaalsContact CD1-CD2 3.47Å; L106-F120 HydrophobicContact CD1-CE2 4.15Å; L106-F120 HydrophobicContact CD1-CG 4.15Å; S107-F120 CarbonylContact O-C 3.57Å; S107-F120 VanDerWaalsContact O-CA 3.32Å; S107-F120 WeakPolarHBondContact O-CA 3.29Å; F120-I122 HydrophobicContact CD2-CG1 4.42Å; F120-I122 HydrophobicContact CE2-CD1 4.39Å; F120-I122 HydrophobicContact CE2-CG1 4.3Å; F120-F137 HydrophobicContact CB-CZ 4.25Å; F120-I166 HydrophobicContact CZ-CD1 4.14Å
121F98.9Very high98Very high8 Ų840.5 Ų40.54%0.03523%0.234CC..EExtended strand (participates in β ladder)trans-135.9150168.461.6-91.6000112.1M69 C70 Q71 H100 S107 M108 A109 T123 L130 H134M69-F121 HydrophobicContact CB-CB 4.23Å; M69-F121 HydrophobicContact CB-CD2 4.06Å; M69-F121 HydrophobicContact CB-CG 4.49Å; M69-F121 HydrophobicContact CG-CB 4.3Å; M69-F121 HydrophobicContact CG-CD2 4.38Å; M69-F121 HydrophobicContact SD-CB 3.9Å; C70-F121 CarbonylContact O-C 3.55Å; C70-F121 VanDerWaalsContact O-CA 3.22Å; C70-F121 WeakPolarHBondContact O-CA 3.44Å; Q71-F121 HydrophobicContact CB-CB 4.02Å; H100-F121 AromaticContact CD2-CE2 3.98Å; H100-F121 AromaticContact NE2-CZ 3.73Å; S107-F121 PolarHBondContact N-O 3.43Å; S107-F121 PolarHBondContact O-N 3.1Å; S107-F121 WeakPolarHBondContact OG-CZ 3.3Å; M108-F121 WeakPolarHBondContact O-CE1 3.39Å; A109-F121 HydrophobicContact CB-CD1 4.23Å; F121-T123 HydrophobicContact CD2-CG2 4.01Å; F121-T123 HydrophobicContact CE2-CG2 3.82Å; F121-L130 HydrophobicContact CE2-CD1 3.73Å; F121-L130 HydrophobicContact CZ-CD1 3.63Å; F121-H134 HydrophobicContact CE1-CB 4.07Å; F121-H134 AromaticContact CE1-CG 3.93Å; F121-H134 AromaticContact CE1-ND1 3.83Å; F121-H134 HydrophobicContact CZ-CB 3.92Å
122I98.9Very high98Very high0 Ų037.9 Ų37.90%022%0.216CC..EExtended strand (participates in β ladder)trans-106.9120.8170.9-57173000107.1F61 M69 C70 T105 L106 F120 V140 V147F61-I122 HydrophobicContact CE1-CD1 4.39Å; F61-I122 HydrophobicContact CZ-CD1 4.47Å; M69-I122 CarbonylContact C-O 3.57Å; M69-I122 VanDerWaalsContact CA-O 3.23Å; M69-I122 WeakPolarHBondContact CA-O 3.31Å; M69-I122 WeakPolarHBondContact CB-O 3.36Å; C70-I122 PolarHBondContact N-O 2.92Å; C70-I122 PolarHBondContact O-N 2.86Å; T105-I122 WeakPolarHBondContact O-CA 3.39Å; L106-I122 HydrophobicContact CD1-CG1 3.83Å; F120-I122 HydrophobicContact CD2-CG1 4.42Å; F120-I122 HydrophobicContact CE2-CD1 4.39Å; F120-I122 HydrophobicContact CE2-CG1 4.3Å; I122-V140 HydrophobicContact CD1-CG2 4.3Å; I122-V140 HydrophobicContact CG2-CG2 3.8Å; I122-V147 HydrophobicContact CD1-CG2 4.5Å; I122-V147 HydrophobicContact CG2-CG1 3.92Å; I122-V147 HydrophobicContact CG2-CG2 4.29Å
123T98.8Very high98.2Very high0 Ų044.5 Ų44.50%023%0.23CC..EExtended strand (participates in β ladder)trans-72146.117959.50000111.3G102 P103 G104 T105 F121 V125 T127G102-T123 PolarHBondContact O-OG1 2.96Å; P103-T123 CarbonylContact C-O 3.59Å; P103-T123 WeakPolarHBondContact CA-O 3.3Å; G104-T123 PolarHBondContact N-O 2.86Å; T105-T123 WeakPolarHBondContact CB-OG1 3.3Å; T105-T123 PolarHBondContact N-OG1 2.68Å; T105-T123 PolarHBondContact O-N 2.97Å; T105-T123 PolarHBondContact O-OG1 3.36Å; F121-T123 HydrophobicContact CD2-CG2 4.01Å; F121-T123 HydrophobicContact CE2-CG2 3.82Å; T123-V125 WeakPolarHBondContact CB-O 3.44Å; T123-T127 HydrophobicContact CG2-CG2 4.32Å; T123-T127 WeakPolarHBondContact CG2-OG1 3.29Å
124T98.5Very high98.2Very high15 Ų1542.4 Ų42.49%0.09221%0.207CC..SBendtrans-110.7-8.1172.959.90000112.6F68 P103 V147 E151F68-T124 VanDerWaalsContact C-OG1 3.32Å; F68-T124 PolarHBondContact N-OG1 3.07Å; F68-T124 VanDerWaalsContact N-OG1 3.12Å; F68-T124 PolarHBondContact O-N 2.76Å; F68-T124 PolarHBondContact O-OG1 2.84Å; P103-T124 WeakPolarHBondContact CB-O 3.44Å; P103-T124 VanDerWaalsContact CG-O 3.3Å; P103-T124 WeakPolarHBondContact CG-O 3.26Å; T124-V147 HydrophobicContact CG2-CG1 4.14Å; T124-E151 VanDerWaalsContact CB-CD 3.43Å; T124-E151 WeakPolarHBondContact CB-OE1 3.08Å; T124-E151 HydrophobicContact CG2-CB 4.02Å; T124-E151 VanDerWaalsContact CG2-CD 3.47Å; T124-E151 HydrophobicContact CG2-CG 3.98Å; T124-E151 PolarHBondContact OG1-OE1 3.21Å
125V98.4Very high98.3Very high39 Ų3938 Ų3824%0.23618%0.184CC..SBendtrans-141.4176.6174-62.10000109.8N67 G102 T123 T127N67-V125 HydrophobicContact CB-CG1 4.31Å; N67-V125 WeakPolarHBondContact O-CG2 3.42Å; G102-V125 CarbonylContact C-O 3.56Å; T123-V125 WeakPolarHBondContact CB-O 3.44Å; V125-T127 HydrophobicContact CG2-CG2 3.94Å
126R98.2Very high98.4Very high162 Ų16236.9 Ų36.961%0.61118%0.177SC*.  trans-69131167.3-177.7177.5179150.70.7109.9H100H100-R126 WeakPolarHBondContact O-CG 3.1Å
127T97.8Very high98.4Very high0 Ų036.9 Ų36.90%018%0.177CC..  trans-13052.2-174.651.80000111.7F68 H100 T123 V125 W129 L130F68-T127 HydrophobicContact CD2-CG2 3.63Å; F68-T127 HydrophobicContact CE2-CG2 3.81Å; H100-T127 VanDerWaalsContact CB-OG1 3.25Å; H100-T127 WeakPolarHBondContact CB-OG1 3.42Å; H100-T127 PolarHBondContact O-N 3.49Å; T123-T127 HydrophobicContact CG2-CG2 4.32Å; T123-T127 WeakPolarHBondContact CG2-OG1 3.29Å; V125-T127 HydrophobicContact CG2-CG2 3.94Å; T127-W129 HydrophobicContact CG2-CH2 3.82Å; T127-W129 HydrophobicContact CG2-CZ2 3.67Å; T127-W129 PolarHBondContact O-N 3.18Å; T127-L130 WeakPolarHBondContact O-CB 3.32Å; T127-L130 PolarHBondContact O-N 2.84Å
128S97.8Very high98.4Very high55 Ų5536.3 Ų36.339%0.38517%0.172SC..G310 helixtrans-61.3-17.4-172.552.60000115.2L130 D131S128-L130 PolarHBondContact O-N 3.4Å; S128-D131 WeakPolarHBondContact O-CB 3.31Å; S128-D131 PolarHBondContact O-N 3Å
129W97.8Very high98.4Very high147 Ų14737.6 Ų37.656%0.55718%0.182SC*.G310 helixtrans-68.5-13.4172.660.287.8000113.4F68 T127F68-W129 AromaticContact CD2-CZ2 3.79Å; F68-W129 HydrophobicContact CD2-CZ2 3.79Å; F68-W129 AromaticContact CE2-CZ2 3.69Å; F68-W129 HydrophobicContact CE2-CZ2 3.69Å; F68-W129 AromaticContact CE2-NE1 3.86Å; T127-W129 HydrophobicContact CG2-CH2 3.82Å; T127-W129 HydrophobicContact CG2-CZ2 3.67Å; T127-W129 PolarHBondContact O-N 3.18Å
130L97.8Very high98.4Very high18 Ų1837.2 Ų37.29%0.09418%0.181CC..G310 helixtrans-88.2-9.2174.3-57.9-176000113F68 H100 F121 T127 S128 G132 R133 H134F68-L130 HydrophobicContact CE2-CD1 3.98Å; F68-L130 HydrophobicContact CZ-CD1 4.34Å; H100-L130 PolarHBondContact CE1-O 3.48Å; F121-L130 HydrophobicContact CE2-CD1 3.73Å; F121-L130 HydrophobicContact CZ-CD1 3.63Å; T127-L130 WeakPolarHBondContact O-CB 3.32Å; T127-L130 PolarHBondContact O-N 2.84Å; S128-L130 PolarHBondContact O-N 3.4Å; L130-G132 PolarHBondContact O-N 2.99Å; L130-R133 PolarHBondContact O-N 3.14Å; L130-R133 VanDerWaalsContact O-N 3.14Å; L130-H134 PolarHBondContact O-N 3.3Å
131D97.8Very high98.4Very high45 Ų4540.4 Ų40.424%0.24120%0.201CC..THydrogen-bonded Turntrans-61.2135.9179.4-66.4-22000110.9K99 H100 S128 R133K99-D131 WeakPolarHBondContact CA-OD1 3.47Å; K99-D131 HydrophobicContact CD-CB 4Å; H100-D131 IonicContact CE1-OD1 2.77Å; H100-D131 IonicContact CG-OD1 3.57Å; H100-D131 PolarHBondContact N-OD1 3.38Å; H100-D131 IonicContact ND1-OD1 2.77Å; H100-D131 PolarHBondContact ND1-OD1 2.97Å; S128-D131 WeakPolarHBondContact O-CB 3.31Å; S128-D131 PolarHBondContact O-N 3Å; D131-R133 PolarHBondContact O-N 3.2Å
132G97.5Very high98.3Very high39 Ų3945.4 Ų45.440%0.40222%0.224SC..THydrogen-bonded Turntrans77.52.4-177.200000114.8F96 L130F96-G132 WeakPolarHBondContact CE2-O 3.39Å; F96-G132 WeakPolarHBondContact CZ-O 3.47Å; L130-G132 PolarHBondContact O-N 2.99Å
133R97.9Very high98.3Very high173 Ų17346.1 Ų46.165%0.65323%0.231SC*.THydrogen-bonded Turntrans-123.1-31.1179.3-60.7179-176.3-110.9-0.4113.3N110 L130 D131N110-R133 PolarHBondContact ND2-O 3Å; L130-R133 PolarHBondContact O-N 3.14Å; L130-R133 VanDerWaalsContact O-N 3.14Å; D131-R133 PolarHBondContact O-N 3.2Å
134H98.6Very high98.3Very high31 Ų3148.5 Ų48.514%0.14424%0.243CC..SBendtrans-124.9130.5179.8-62.1-84000109.6H100 S107 M108 N110 F121 L130 V136H100-H134 PolarHBondContact CE1-O 2.85Å; S107-H134 WeakPolarHBondContact OG-CB 3.47Å; M108-H134 WeakPolarHBondContact O-CB 3.3Å; M108-H134 PolarHBondContact O-ND1 2.92Å; N110-H134 PolarHBondContact OD1-CE1 3.41Å; F121-H134 HydrophobicContact CE1-CB 4.07Å; F121-H134 AromaticContact CE1-CG 3.93Å; F121-H134 AromaticContact CE1-ND1 3.83Å; F121-H134 HydrophobicContact CZ-CB 3.92Å; L130-H134 PolarHBondContact O-N 3.3Å; H134-V136 PolarHBondContact O-N 3.38Å
135V98.7Very high98.3Very high0 Ų052.6 Ų52.60%026%0.264CS..  trans-75.9115.6-179.3-179.40000108.6V30 T33 D93 F96 S107 M108 F137V30-V135 HydrophobicContact CG1-CG1 3.94Å; T33-V135 HydrophobicContact CG2-CG1 4.04Å; D93-V135 HydrophobicContact CB-CG2 3.99Å; F96-V135 HydrophobicContact CD1-CG2 4.31Å; F96-V135 HydrophobicContact CE1-CG2 3.87Å; S107-V135 VanDerWaalsContact CA-O 3.31Å; S107-V135 WeakPolarHBondContact CA-O 3.28Å; S107-V135 PolarHBondContact OG-O 3.24Å; S107-V135 VanDerWaalsContact OG-O 3.11Å; M108-V135 HydrophobicContact CB-CB 4.47Å; M108-V135 HydrophobicContact CG-CB 4.3Å; M108-V135 PolarHBondContact N-O 2.65Å; V135-F137 WeakPolarHBondContact O-CD1 3.44Å
136V98.8Very high98.3Very high5 Ų550.9 Ų50.93%0.0325%0.254CS..EExtended strand (participates in β ladder)trans-78.1129.2168.6171.60000108.7F26 L98 H100 T105 H134F26-V136 HydrophobicContact CD2-CG1 4.43Å; F26-V136 HydrophobicContact CE2-CG1 4.12Å; L98-V136 HydrophobicContact CB-CB 3.79Å; L98-V136 HydrophobicContact CB-CG1 3.81Å; L98-V136 HydrophobicContact CD1-CG1 4.23Å; H100-V136 WeakPolarHBondContact NE2-CG2 3.29Å; T105-V136 HydrophobicContact CG2-CB 4.25Å; T105-V136 HydrophobicContact CG2-CG1 3.44Å; T105-V136 VanDerWaalsContact CG2-CG1 3.44Å; T105-V136 HydrophobicContact CG2-CG2 3.8Å; H134-V136 PolarHBondContact O-N 3.38Å
137F98.8Very high98.4Very high0 Ų043.2 Ų43.20%023%0.226CC..EExtended strand (participates in β ladder)trans-140.85.1-172.869.4-90.6000115.4L25 F26 V30 T33 F37 L106 S107 M108 F120 V135L25-F137 HydrophobicContact CD2-CD2 4.33Å; L25-F137 HydrophobicContact CD2-CE2 4.33Å; F26-F137 VanDerWaalsContact CD2-C 3.44Å; F26-F137 PolarHBondContact N-O 3.33Å; V30-F137 HydrophobicContact CG2-CB 3.49Å; V30-F137 VanDerWaalsContact CG2-CB 3.49Å; T33-F137 HydrophobicContact CG2-CB 3.62Å; T33-F137 HydrophobicContact CG2-CD1 3.69Å; T33-F137 HydrophobicContact CG2-CD2 4.3Å; T33-F137 HydrophobicContact CG2-CE1 4.42Å; T33-F137 HydrophobicContact CG2-CG 3.61Å; F37-F137 HydrophobicContact CB-CD2 4.21Å; F37-F137 HydrophobicContact CB-CE2 3.47Å; F37-F137 VanDerWaalsContact CB-CE2 3.47Å; F37-F137 HydrophobicContact CB-CZ 4.18Å; F37-F137 HydrophobicContact CD1-CE2 4.08Å; F37-F137 AromaticContact CD2-CE2 3.44Å; F37-F137 HydrophobicContact CD2-CE2 3.44Å; F37-F137 VanDerWaalsContact CD2-CE2 3.44Å; F37-F137 AromaticContact CD2-CZ 3.42Å; F37-F137 HydrophobicContact CD2-CZ 3.42Å; F37-F137 VanDerWaalsContact CD2-CZ 3.42Å; F37-F137 HydrophobicContact CE2-CE2 4.1Å; F37-F137 AromaticContact CE2-CZ 3.88Å; F37-F137 HydrophobicContact CE2-CZ 3.88Å; F37-F137 HydrophobicContact CG-CD2 4.49Å; F37-F137 AromaticContact CG-CE2 3.41Å; F37-F137 HydrophobicContact CG-CE2 3.41Å; F37-F137 VanDerWaalsContact CG-CE2 3.41Å; F37-F137 AromaticContact CG-CZ 3.92Å; F37-F137 HydrophobicContact CG-CZ 3.92Å; L106-F137 HydrophobicContact CD1-CZ 4.11Å; L106-F137 HydrophobicContact CD2-CD2 3.93Å; L106-F137 HydrophobicContact CD2-CE1 4.41Å; L106-F137 HydrophobicContact CD2-CE2 3.18Å; L106-F137 HydrophobicContact CD2-CZ 3.5Å; L106-F137 VanDerWaalsContact CD2-CZ 3.5Å; L106-F137 HydrophobicContact CG-CD2 4.35Å; L106-F137 HydrophobicContact CG-CE1 3.96Å; L106-F137 HydrophobicContact CG-CE2 3.65Å; L106-F137 HydrophobicContact CG-CZ 3.44Å; L106-F137 VanDerWaalsContact CG-CZ 3.44Å; L106-F137 PolarHBondContact O-N 2.9Å; S107-F137 VanDerWaalsContact C-CE1 3.41Å; M108-F137 HydrophobicContact CB-CE1 4.42Å; M108-F137 HydrophobicContact CG-CD1 3.74Å; M108-F137 HydrophobicContact CG-CE1 3.65Å; M108-F137 HydrophobicContact SD-CD1 3.91Å; M108-F137 HydrophobicContact SD-CE1 3.31Å; M108-F137 WeakPolarHBondContact SD-CE1 3.36Å; M108-F137 HydrophobicContact SD-CZ 3.81Å; F120-F137 HydrophobicContact CB-CZ 4.25Å; V135-F137 WeakPolarHBondContact O-CD1 3.44Å
138G98.7Very high98.4Very high0 Ų049.6 Ų49.60%025%0.253CS..EExtended strand (participates in β ladder)trans-172-177.417200000112.9E24 F26 L106E24-G138 CarbonylContact O-C 3.43Å; E24-G138 WeakPolarHBondContact O-CA 3.48Å; F26-G138 VanDerWaalsContact CD2-CA 3.46Å; F26-G138 VanDerWaalsContact CD2-N 3.26Å; F26-G138 VanDerWaalsContact CE2-CA 3.43Å; F26-G138 WeakPolarHBondContact CE2-O 3.22Å; F26-G138 VanDerWaalsContact CZ-C 3.45Å; L106-G138 WeakPolarHBondContact CB-O 3.27Å; L106-G138 PolarHBondContact N-O 3.18Å; L106-G138 PolarHBondContact O-N 3.39Å
139A98.7Very high98.5Very high27 Ų2750.9 Ų50.922%0.22326%0.256CS..EExtended strand (participates in β ladder)trans-146.6146.4171.500000111.7I23 E24 F26 G104 V141I23-A139 CarbonylContact C-O 3.54Å; I23-A139 WeakPolarHBondContact CA-O 3.41Å; I23-A139 WeakPolarHBondContact CG2-O 3.38Å; E24-A139 PolarHBondContact N-O 3.11Å; E24-A139 PolarHBondContact O-N 3.1Å; F26-A139 HydrophobicContact CE1-CB 4.39Å; F26-A139 HydrophobicContact CZ-CB 3.71Å; G104-A139 CarbonylContact O-C 3.57Å; G104-A139 VanDerWaalsContact O-CA 3.29Å; G104-A139 WeakPolarHBondContact O-CA 3.36Å; A139-V141 PolarHBondContact O-N 3.27Å
140V98.7Very high98.5Very high17 Ų1743.9 Ų43.910%0.10323%0.229CC..EExtended strand (participates in β ladder)trans-65.5123.3168.7179.80000108.6I21 V22 I23 G104 I122 E142 M144 V147I21-V140 HydrophobicContact CG2-CB 4.43Å; I21-V140 HydrophobicContact CG2-CG1 3.73Å; I21-V140 HydrophobicContact CG2-CG2 3.91Å; V22-V140 CarbonylContact O-C 3.58Å; V22-V140 WeakPolarHBondContact O-CA 3.48Å; I23-V140 HydrophobicContact CG1-CG2 4.35Å; G104-V140 PolarHBondContact O-N 2.67Å; I122-V140 HydrophobicContact CD1-CG2 4.3Å; I122-V140 HydrophobicContact CG2-CG2 3.8Å; V140-E142 WeakPolarHBondContact CG1-O 3.22Å; V140-M144 HydrophobicContact CB-CG 4.19Å; V140-M144 HydrophobicContact CB-SD 3.67Å; V140-M144 HydrophobicContact CG1-CG 3.72Å; V140-M144 HydrophobicContact CG1-SD 3.64Å; V140-M144 HydrophobicContact CG2-SD 4.08Å; V140-V147 HydrophobicContact CG2-CG2 4.27Å
141V98.4Very high98.5Very high67 Ų6744.4 Ų44.441%0.40623%0.231SC..EExtended strand (participates in β ladder)trans-107.4-23.3177.7-65.40000112.5V22 E24 A139V22-V141 HydrophobicContact CB-CG2 3.99Å; V22-V141 HydrophobicContact CG1-CG2 3.67Å; V22-V141 WeakPolarHBondContact O-CG2 3.48Å; V22-V141 PolarHBondContact O-N 2.88Å; E24-V141 HydrophobicContact CB-CG1 3.72Å; A139-V141 PolarHBondContact O-N 3.27Å
142E98.7Very high98.6Very high113 Ų11344.9 Ų44.953%0.52824%0.242SC..EExtended strand (participates in β ladder)trans-141.7150.4172.7-56.1170.7-144.300109.9I21 V22 V140I21-E142 WeakPolarHBondContact CA-O 3.35Å; V22-E142 HydrophobicContact CB-CB 3.85Å; V22-E142 HydrophobicContact CB-CG 4.22Å; V22-E142 HydrophobicContact CG2-CB 3.95Å; V22-E142 HydrophobicContact CG2-CG 4.38Å; V22-E142 PolarHBondContact N-O 2.91Å; V22-E142 PolarHBondContact O-N 3.37Å; V140-E142 WeakPolarHBondContact CG1-O 3.22Å
143G98.7Very high98.6Very high15 Ų1544.7 Ų44.716%0.15523%0.23CC..  trans842617700000115.3R20 D145 V146 V147R20-G143 WeakPolarHBondContact O-CA 3.26Å; G143-D145 WeakPolarHBondContact CA-OD1 3.34Å; G143-D145 PolarHBondContact O-N 3.17Å; G143-V146 WeakPolarHBondContact O-CA 3.44Å; G143-V146 VanDerWaalsContact O-CB 3.29Å; G143-V146 WeakPolarHBondContact O-CB 3.5Å; G143-V146 PolarHBondContact O-N 3.21Å; G143-V147 PolarHBondContact O-N 2.81Å; G143-V147 VanDerWaalsContact O-N 3.15Å
144M98.6Very high98.7Very high51 Ų5136.6 Ų36.625%0.25120%0.2SC..Hα-helixtrans-64.5-25174.5-86-57.2-69.200113.4P103 G104 V140 V147 K148P103-M144 HydrophobicContact CB-CE 3.7Å; G104-M144 WeakPolarHBondContact CA-SD 3.21Å; V140-M144 HydrophobicContact CB-CG 4.19Å; V140-M144 HydrophobicContact CB-SD 3.67Å; V140-M144 HydrophobicContact CG1-CG 3.72Å; V140-M144 HydrophobicContact CG1-SD 3.64Å; V140-M144 HydrophobicContact CG2-SD 4.08Å; M144-V147 HydrophobicContact CE-CG1 4.49Å; M144-V147 PolarHBondContact O-N 2.79Å; M144-V147 HydrophobicContact SD-CB 4.16Å; M144-V147 HydrophobicContact SD-CG1 4.48Å; M144-V147 HydrophobicContact SD-CG2 4.06Å; M144-K148 WeakPolarHBondContact O-CG 3.37Å; M144-K148 PolarHBondContact O-N 3.5Å
145D98.7Very high98.7Very high100 Ų10037 Ų3754%0.53521%0.205SC..Hα-helixtrans-64.6-38.6168.661.7-52.9000111.8G143 K148 N149G143-D145 WeakPolarHBondContact CA-OD1 3.34Å; G143-D145 PolarHBondContact O-N 3.17Å; D145-K148 PolarHBondContact O-N 2.81Å; D145-N149 VanDerWaalsContact O-CG 3.24Å; D145-N149 PolarHBondContact O-N 2.84Å; D145-N149 PolarHBondContact O-ND2 2.67Å
146V98.8Very high98.6Very high4 Ų442.7 Ų42.72%0.02425%0.245CC..Hα-helixtrans-61.8-45.4172-173.20000110.3I11 A18 I21 G143 K148 N149 M150I11-V146 HydrophobicContact CB-CG1 3.89Å; I11-V146 HydrophobicContact CG1-CG1 4Å; I11-V146 HydrophobicContact CG2-CG1 4.26Å; A18-V146 HydrophobicContact CB-CG1 4.27Å; I21-V146 HydrophobicContact CD1-CB 4.47Å; I21-V146 HydrophobicContact CD1-CG1 4.2Å; I21-V146 HydrophobicContact CG1-CB 3.93Å; I21-V146 HydrophobicContact CG1-CG1 3.95Å; G143-V146 WeakPolarHBondContact O-CA 3.44Å; G143-V146 VanDerWaalsContact O-CB 3.29Å; G143-V146 WeakPolarHBondContact O-CB 3.5Å; G143-V146 PolarHBondContact O-N 3.21Å; V146-K148 VanDerWaalsContact C-N 3.32Å; V146-K148 PolarHBondContact O-N 2.91Å; V146-N149 WeakPolarHBondContact O-CB 3.31Å; V146-N149 PolarHBondContact O-N 2.96Å; V146-N149 VanDerWaalsContact O-N 3.11Å; V146-M150 HydrophobicContact CG1-SD 4.3Å; V146-M150 VanDerWaalsContact O-CG 3.24Å; V146-M150 WeakPolarHBondContact O-CG 3.1Å; V146-M150 PolarHBondContact O-N 3.26Å
147V98.8Very high98.5Very high1 Ų147.9 Ų47.91%0.00627%0.273CS..Hα-helixtrans-59-42175.71790000111.6I21 I122 T124 V140 G143 M144 M150 E151I21-V147 HydrophobicContact CD1-CG2 3.7Å; I21-V147 HydrophobicContact CG1-CG2 4.18Å; I21-V147 HydrophobicContact CG2-CG2 4.37Å; I122-V147 HydrophobicContact CD1-CG2 4.5Å; I122-V147 HydrophobicContact CG2-CG1 3.92Å; I122-V147 HydrophobicContact CG2-CG2 4.29Å; T124-V147 HydrophobicContact CG2-CG1 4.14Å; V140-V147 HydrophobicContact CG2-CG2 4.27Å; G143-V147 PolarHBondContact O-N 2.81Å; G143-V147 VanDerWaalsContact O-N 3.15Å; M144-V147 HydrophobicContact CE-CG1 4.49Å; M144-V147 PolarHBondContact O-N 2.79Å; M144-V147 HydrophobicContact SD-CB 4.16Å; M144-V147 HydrophobicContact SD-CG1 4.48Å; M144-V147 HydrophobicContact SD-CG2 4.06Å; V147-M150 WeakPolarHBondContact O-CB 3.44Å; V147-M150 PolarHBondContact O-N 2.95Å; V147-E151 WeakPolarHBondContact O-CB 3.38Å; V147-E151 PolarHBondContact O-N 3.25Å
148K98.7Very high98.5Very high133 Ų13348 Ų4858%0.57827%0.273SS*.Hα-helixtrans-64.7-38.8174.7-72.5176.2-179.7-178.30112.4M144 D145 V146 M150 E151 A152M144-K148 WeakPolarHBondContact O-CG 3.37Å; M144-K148 PolarHBondContact O-N 3.5Å; D145-K148 PolarHBondContact O-N 2.81Å; V146-K148 VanDerWaalsContact C-N 3.32Å; V146-K148 PolarHBondContact O-N 2.91Å; K148-M150 VanDerWaalsContact C-N 3.32Å; K148-M150 PolarHBondContact O-N 3.11Å; K148-E151 WeakPolarHBondContact O-CB 3.34Å; K148-E151 PolarHBondContact O-N 2.88Å; K148-A152 PolarHBondContact O-N 3.35Å
149N98.6Very high98.4Very high82 Ų8252 Ų5244%0.43930%0.298SS..Hα-helixtrans-65.5-36.7175.9-70.4-25.5000111.9I13 D145 V146 Q153I13-N149 HydrophobicContact CD1-CB 3.97Å; D145-N149 VanDerWaalsContact O-CG 3.24Å; D145-N149 PolarHBondContact O-N 2.84Å; D145-N149 PolarHBondContact O-ND2 2.67Å; V146-N149 WeakPolarHBondContact O-CB 3.31Å; V146-N149 PolarHBondContact O-N 2.96Å; V146-N149 VanDerWaalsContact O-N 3.11Å; N149-Q153 PolarHBondContact O-NE2 2.77Å
150M98.8Very high98.4Very high0 Ų052.1 Ų52.10%030%0.296CS..Hα-helixtrans-64.6-48.4171.6-63.1163.750.100110.8I11 I13 I21 F61 C70 V146 V147 K148 A152 Q153 V164I11-M150 HydrophobicContact CD1-SD 4.41Å; I11-M150 HydrophobicContact CG1-SD 4.11Å; I11-M150 HydrophobicContact CG2-CG 4.01Å; I11-M150 HydrophobicContact CG2-SD 4.01Å; I13-M150 HydrophobicContact CD1-CG 4.42Å; I21-M150 HydrophobicContact CD1-SD 3.61Å; F61-M150 HydrophobicContact CD1-CE 3.59Å; F61-M150 HydrophobicContact CD2-CE 3.54Å; F61-M150 HydrophobicContact CE1-CE 3.5Å; F61-M150 HydrophobicContact CE2-CE 3.44Å; F61-M150 VanDerWaalsContact CE2-CE 3.44Å; F61-M150 HydrophobicContact CG-CE 3.61Å; F61-M150 HydrophobicContact CZ-CE 3.43Å; F61-M150 VanDerWaalsContact CZ-CE 3.43Å; C70-M150 HydrophobicContact CB-CE 4.12Å; V146-M150 HydrophobicContact CG1-SD 4.3Å; V146-M150 VanDerWaalsContact O-CG 3.24Å; V146-M150 WeakPolarHBondContact O-CG 3.1Å; V146-M150 PolarHBondContact O-N 3.26Å; V147-M150 WeakPolarHBondContact O-CB 3.44Å; V147-M150 PolarHBondContact O-N 2.95Å; K148-M150 VanDerWaalsContact C-N 3.32Å; K148-M150 PolarHBondContact O-N 3.11Å; M150-A152 PolarHBondContact O-N 3.36Å; M150-Q153 WeakPolarHBondContact O-CA 3.42Å; M150-Q153 VanDerWaalsContact O-CB 3.28Å; M150-Q153 WeakPolarHBondContact O-CB 3.17Å; M150-Q153 PolarHBondContact O-N 2.87Å; M150-V164 HydrophobicContact CB-CG1 4.13Å; M150-V164 HydrophobicContact CE-CG1 3.94Å; M150-V164 HydrophobicContact CG-CG1 3.62Å; M150-V164 HydrophobicContact SD-CG1 4.27Å
151E98.7Very high98.4Very high29 Ų2958 Ų5814%0.13632%0.321CS..Hα-helixtrans-54.5-39.9177.6-177.6-178.2-148.700112.3P66 N67 T124 V147 K148 Q153 G154P66-E151 HydrophobicContact CB-CG 4.3Å; N67-E151 WeakPolarHBondContact CA-OE1 3.43Å; N67-E151 PolarHBondContact N-OE1 3.46Å; T124-E151 VanDerWaalsContact CB-CD 3.43Å; T124-E151 WeakPolarHBondContact CB-OE1 3.08Å; T124-E151 HydrophobicContact CG2-CB 4.02Å; T124-E151 VanDerWaalsContact CG2-CD 3.47Å; T124-E151 HydrophobicContact CG2-CG 3.98Å; T124-E151 PolarHBondContact OG1-OE1 3.21Å; V147-E151 WeakPolarHBondContact O-CB 3.38Å; V147-E151 PolarHBondContact O-N 3.25Å; K148-E151 WeakPolarHBondContact O-CB 3.34Å; K148-E151 PolarHBondContact O-N 2.88Å; E151-Q153 PolarHBondContact O-N 3.41Å; E151-Q153 VanDerWaalsContact O-N 3.12Å; E151-G154 WeakPolarHBondContact O-CA 3.29Å; E151-G154 PolarHBondContact O-N 2.84Å
152A98.5Very high98.4Very high56 Ų5660.6 Ų60.646%0.46333%0.326SS..THydrogen-bonded Turntrans-61.1-20.5177.500000113.7K148 M150 G154 K161K148-A152 PolarHBondContact O-N 3.35Å; M150-A152 PolarHBondContact O-N 3.36Å; A152-G154 VanDerWaalsContact C-N 3.31Å; A152-K161 PolarHBondContact O-NZ 3.18Å; A152-K161 VanDerWaalsContact O-NZ 3.08Å
153Q98.7Very high98.4Very high35 Ų3559.6 Ų59.616%0.16432%0.322CS..THydrogen-bonded Turntrans-80.2-12.8172.3-50.5-46.6-55.600112.7I13 N149 M150 E151 P160 K161 V164I13-Q153 HydrophobicContact CD1-CG 4.42Å; I13-Q153 HydrophobicContact CG2-CG 3.62Å; N149-Q153 PolarHBondContact O-NE2 2.77Å; M150-Q153 WeakPolarHBondContact O-CA 3.42Å; M150-Q153 VanDerWaalsContact O-CB 3.28Å; M150-Q153 WeakPolarHBondContact O-CB 3.17Å; M150-Q153 PolarHBondContact O-N 2.87Å; E151-Q153 PolarHBondContact O-N 3.41Å; E151-Q153 VanDerWaalsContact O-N 3.12Å; Q153-P160 CarbonylContact O-C 3.55Å; Q153-P160 WeakPolarHBondContact O-CA 3.35Å; Q153-K161 WeakPolarHBondContact O-CG 3.47Å; Q153-K161 PolarHBondContact O-N 2.75Å; Q153-V164 HydrophobicContact CB-CG2 4.12Å; Q153-V164 HydrophobicContact CG-CG2 4.03Å
154G98.5Very high98.4Very high2 Ų259 Ų592%0.02132%0.315CS..  trans-67.3165.1-179.500000114.4I64 E151 A152 K161I64-G154 WeakPolarHBondContact O-CA 3.46Å; E151-G154 WeakPolarHBondContact O-CA 3.29Å; E151-G154 PolarHBondContact O-N 2.84Å; A152-G154 VanDerWaalsContact C-N 3.31Å; G154-K161 WeakPolarHBondContact O-CE 3.35Å
155T98.5Very high98.4Very high40 Ų4059.1 Ų59.125%0.24531%0.314CS..  trans-135.7168.217362.10000109.5I64 N157 G158 T159 K161I64-T155 PolarHBondContact O-N 3.26Å; T155-N157 PolarHBondContact O-N 2.93Å; T155-N157 PolarHBondContact OG1-OD1 3.01Å; T155-G158 PolarHBondContact O-N 2.92Å; T155-T159 WeakPolarHBondContact CB-O 3.29Å; T155-T159 WeakPolarHBondContact CG2-O 3.26Å; T155-T159 PolarHBondContact OG1-N 3.46Å; T155-T159 PolarHBondContact OG1-O 3.31Å; T155-K161 HydrophobicContact CG2-CG 4.01Å
156S96.9Very high98.4Very high119 Ų11954.4 Ų54.483%0.83229%0.289SS*.THydrogen-bonded Turntrans-62.7-29.618052.80000113.4G158S156-G158 VanDerWaalsContact C-N 3.3Å
157N97.1Very high98.4Very high115 Ų11556.8 Ų56.862%0.61530%0.303SS*.THydrogen-bonded Turntrans-85-5175.473.917000113.1T155 T159T155-N157 PolarHBondContact O-N 2.93Å; T155-N157 PolarHBondContact OG1-OD1 3.01Å; N157-T159 VanDerWaalsContact OD1-CB 3.27Å; N157-T159 WeakPolarHBondContact OD1-CB 3.36Å; N157-T159 PolarHBondContact OD1-N 3.35Å; N157-T159 PolarHBondContact OD1-OG1 3.34Å; N157-T159 VanDerWaalsContact OD1-OG1 3.07Å
158G98Very high98.4Very high1 Ų159.5 Ų59.51%0.0132%0.318CS..SBendtrans90.7-12.1-18000000115.2R63 I64 T155 S156 P160R63-G158 CarbonylContact C-O 3.59Å; R63-G158 WeakPolarHBondContact CA-O 3.39Å; I64-G158 PolarHBondContact N-O 2.89Å; I64-G158 CarbonylContact O-C 3.41Å; I64-G158 WeakPolarHBondContact O-CA 3.49Å; T155-G158 PolarHBondContact O-N 2.92Å; S156-G158 VanDerWaalsContact C-N 3.3Å; G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.14Å
159T98.1Very high98.4Very high86 Ų8653.6 Ų53.653%0.52829%0.293SS..  trans-71.8123.2-179.9-53.20000109.9T155 N157T155-T159 WeakPolarHBondContact CB-O 3.29Å; T155-T159 WeakPolarHBondContact CG2-O 3.26Å; T155-T159 PolarHBondContact OG1-N 3.46Å; T155-T159 PolarHBondContact OG1-O 3.31Å; N157-T159 VanDerWaalsContact OD1-CB 3.27Å; N157-T159 WeakPolarHBondContact OD1-CB 3.36Å; N157-T159 PolarHBondContact OD1-N 3.35Å; N157-T159 PolarHBondContact OD1-OG1 3.34Å; N157-T159 VanDerWaalsContact OD1-OG1 3.07Å
160P98.4Very high98.4Very high28 Ų2850 Ų5018%0.18228%0.276CS..  trans-66.2142.1177-20.532.8000112.7F61 I64 Q153 G158 K162F61-P160 VanDerWaalsContact O-CG 3.26Å; F61-P160 WeakPolarHBondContact O-CG 3.29Å; I64-P160 HydrophobicContact CB-CG 4.44Å; I64-P160 HydrophobicContact CD1-CB 4.2Å; I64-P160 HydrophobicContact CD1-CG 3.95Å; I64-P160 HydrophobicContact CG1-CG 4.05Å; Q153-P160 CarbonylContact O-C 3.55Å; Q153-P160 WeakPolarHBondContact O-CA 3.35Å; G158-P160 VanDerWaalsContact O-CD 3.31Å; G158-P160 WeakPolarHBondContact O-CD 3.14Å; P160-K162 VanDerWaalsContact C-N 3.29Å; P160-K162 WeakPolarHBondContact CB-O 3.48Å; P160-K162 PolarHBondContact O-N 3.35Å
161K98.4Very high98.4Very high142 Ų14253.9 Ų53.962%0.61729%0.294SS*.SBendtrans-66.2-31.5173.4-64167.3-167.31610112.5A152 Q153 G154 T155A152-K161 PolarHBondContact O-NZ 3.18Å; A152-K161 VanDerWaalsContact O-NZ 3.08Å; Q153-K161 WeakPolarHBondContact O-CG 3.47Å; Q153-K161 PolarHBondContact O-N 2.75Å; G154-K161 WeakPolarHBondContact O-CE 3.35Å; T155-K161 HydrophobicContact CG2-CG 4.01Å
162K98.4Very high98.3Very high121 Ų12155.2 Ų55.253%0.52630%0.301SS..SBendtrans-134.1147.9175.4-68.3-176.5178.3-178.70108I13 P160 V164I13-K162 HydrophobicContact CG2-CB 4.06Å; I13-K162 HydrophobicContact CG2-CD 4.15Å; P160-K162 VanDerWaalsContact C-N 3.29Å; P160-K162 WeakPolarHBondContact CB-O 3.48Å; P160-K162 PolarHBondContact O-N 3.35Å; K162-V164 PolarHBondContact O-N 3.38Å
163E98.7Very high97.5Very high92 Ų9261.4 Ų61.443%0.4334%0.341SS..  trans-57.7130.3173.1-174.3176.388.900109.9I13 G14 I60 K165I13-E163 CarbonylContact C-O 3.53Å; I13-E163 WeakPolarHBondContact CA-O 3.39Å; G14-E163 PolarHBondContact N-O 2.92Å; I60-E163 HydrophobicContact CG2-CG 3.83Å; E163-K165 WeakPolarHBondContact OE1-CE 3.35Å; E163-K165 IonicContact OE1-NZ 3.96Å; E163-K165 PolarHBondContact OE1-NZ 3.37Å
164V98.8Very high97.5Very high1 Ų162.7 Ų62.71%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-115111.7174.1179.50000107.1I11 S12 I13 I60 F61 I64 M150 Q153 K162I11-V164 HydrophobicContact CG2-CG1 3.92Å; S12-V164 WeakPolarHBondContact O-CA 3.49Å; I13-V164 HydrophobicContact CG1-CG1 4.5Å; I13-V164 HydrophobicContact CG1-CG2 4.24Å; I60-V164 CarbonylContact C-O 3.54Å; I60-V164 VanDerWaalsContact CA-O 3.28Å; I60-V164 WeakPolarHBondContact CA-O 3.48Å; I60-V164 WeakPolarHBondContact CB-O 3.41Å; F61-V164 HydrophobicContact CB-CB 4.12Å; F61-V164 HydrophobicContact CB-CG1 4.13Å; F61-V164 HydrophobicContact CD2-CG1 3.81Å; F61-V164 HydrophobicContact CG-CG1 4.24Å; F61-V164 PolarHBondContact N-O 2.66Å; I64-V164 HydrophobicContact CD1-CB 4.04Å; I64-V164 HydrophobicContact CD1-CG1 4.46Å; I64-V164 HydrophobicContact CD1-CG2 3.67Å; M150-V164 HydrophobicContact CB-CG1 4.13Å; M150-V164 HydrophobicContact CE-CG1 3.94Å; M150-V164 HydrophobicContact CG-CG1 3.62Å; M150-V164 HydrophobicContact SD-CG1 4.27Å; Q153-V164 HydrophobicContact CB-CG2 4.12Å; Q153-V164 HydrophobicContact CG-CG2 4.03Å; K162-V164 PolarHBondContact O-N 3.38Å
165K98.8Very high97.4Very high55 Ų5565.9 Ų65.924%0.23937%0.368CS..EExtended strand (participates in β ladder)trans-120142.8-169.1-176.6177.7-71.3157.20111.6I11 S12 I60 E163 V167I11-K165 WeakPolarHBondContact CA-O 3.36Å; S12-K165 PolarHBondContact N-O 2.87Å; S12-K165 PolarHBondContact O-N 3.49Å; I60-K165 HydrophobicContact CG2-CB 4.18Å; I60-K165 HydrophobicContact CG2-CG 4.27Å; E163-K165 WeakPolarHBondContact OE1-CE 3.35Å; E163-K165 IonicContact OE1-NZ 3.96Å; E163-K165 PolarHBondContact OE1-NZ 3.37Å; K165-V167 HydrophobicContact CB-CG1 4.44Å; K165-V167 HydrophobicContact CD-CG1 4.23Å; K165-V167 HydrophobicContact CG-CG1 4.23Å; K165-V167 PolarHBondContact O-N 3.32Å
166I98.9Very high97.4Very high0 Ų067.3 Ų67.30%037%0.374CS..EExtended strand (participates in β ladder)trans-83.193.1165.4-59.3169.8000106.9F9 D10 I11 D58 S59 F61 F120 N168 C169F9-I166 HydrophobicContact CB-CG1 4.5Å; F9-I166 HydrophobicContact CB-CG2 4.19Å; F9-I166 HydrophobicContact CD1-CD1 4.17Å; F9-I166 HydrophobicContact CD1-CG1 4.48Å; F9-I166 HydrophobicContact CD1-CG2 3.74Å; F9-I166 HydrophobicContact CD2-CD1 4.12Å; F9-I166 HydrophobicContact CD2-CG1 4.47Å; F9-I166 HydrophobicContact CE1-CD1 4.1Å; F9-I166 HydrophobicContact CE1-CG2 4.36Å; F9-I166 HydrophobicContact CE2-CD1 4.04Å; F9-I166 HydrophobicContact CG-CD1 4.17Å; F9-I166 HydrophobicContact CG-CG1 4.26Å; F9-I166 HydrophobicContact CG-CG2 4.12Å; F9-I166 HydrophobicContact CZ-CD1 4.02Å; D10-I166 CarbonylContact O-C 3.48Å; D10-I166 WeakPolarHBondContact O-CA 3.42Å; I11-I166 HydrophobicContact CD1-CG1 3.92Å; D58-I166 WeakPolarHBondContact CA-O 3.43Å; D58-I166 PolarHBondContact N-O 3.43Å; S59-I166 PolarHBondContact O-N 3.28Å; F61-I166 HydrophobicContact CD2-CG1 4.34Å; F61-I166 HydrophobicContact CE2-CD1 3.9Å; F61-I166 HydrophobicContact CE2-CG1 3.63Å; F61-I166 HydrophobicContact CZ-CD1 4.29Å; F61-I166 HydrophobicContact CZ-CG1 4.43Å; F120-I166 HydrophobicContact CZ-CD1 4.14Å; I166-N168 VanDerWaalsContact C-N 3.28Å; I166-N168 WeakPolarHBondContact CG2-O 3.43Å; I166-N168 PolarHBondContact O-N 3.27Å; I166-C169 HydrophobicContact CG2-CB 3.84Å
167V98.6Very high97.4Very high54 Ų5464.3 Ų64.333%0.32735%0.347SS..EExtended strand (participates in β ladder)trans-74.1-24.4-177.6-65.40000112.3D10 S12 K165D10-V167 HydrophobicContact CB-CG2 3.81Å; D10-V167 VanDerWaalsContact O-CG2 3.26Å; D10-V167 WeakPolarHBondContact O-CG2 3.36Å; D10-V167 PolarHBondContact O-N 2.83Å; S12-V167 WeakPolarHBondContact OG-CG1 3.25Å; K165-V167 HydrophobicContact CB-CG1 4.44Å; K165-V167 HydrophobicContact CD-CG1 4.23Å; K165-V167 HydrophobicContact CG-CG1 4.23Å; K165-V167 PolarHBondContact O-N 3.32Å
168N98.7Very high97.4Very high58 Ų5861.1 Ų61.131%0.3133%0.331SS..EExtended strand (participates in β ladder)trans-154.7154.5172.2-160.732.4000110.3D10 I166D10-N168 HydrophobicContact CB-CB 4.04Å; D10-N168 PolarHBondContact N-O 3.2Å; I166-N168 VanDerWaalsContact C-N 3.28Å; I166-N168 WeakPolarHBondContact CG2-O 3.43Å; I166-N168 PolarHBondContact O-N 3.27Å
169C98.8Very high97.4Very high9 Ų965.1 Ų65.16%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-152.6163.8177.256.80000111F8 F9 C41 H55 K57 I166F8-C169 VanDerWaalsContact O-CA 3.24Å; F8-C169 WeakPolarHBondContact O-CA 3.37Å; F8-C169 WeakPolarHBondContact O-CB 3.5Å; F9-C169 HydrophobicContact CD1-CB 3.53Å; F9-C169 HydrophobicContact CE1-CB 3.85Å; C41-C169 CarbonylContact O-C 3.54Å; C41-C169 VanDerWaalsContact O-C 3.24Å; C41-C169 PolarHBondContact O-SG 3.14Å; H55-C169 PolarHBondContact CD2-SG 3.38Å; H55-C169 PolarHBondContact NE2-SG 3.48Å; K57-C169 PolarHBondContact N-SG 2.99Å; I166-C169 HydrophobicContact CG2-CB 3.84Å
170G98.7Very high97.3Very high8 Ų863.6 Ų63.68%0.08234%0.34CS..EExtended strand (participates in β ladder)trans173.9-174.5178.200000112.7V7 F8 C41V7-G170 CarbonylContact C-O 3.24Å; V7-G170 WeakPolarHBondContact CA-O 3.47Å; V7-G170 VanDerWaalsContact CB-O 3.29Å; V7-G170 WeakPolarHBondContact CB-O 3.46Å; F8-G170 WeakPolarHBondContact CD1-O 3.24Å; F8-G170 VanDerWaalsContact CE1-CA 3.46Å; F8-G170 PolarHBondContact N-O 3.29Å; F8-G170 PolarHBondContact O-N 3.2Å; C41-G170 WeakPolarHBondContact O-CA 3.38Å; C41-G170 PolarHBondContact O-N 2.85Å
171Q98.3Very high97.2Very high80 Ų8066.4 Ų66.437%0.37435%0.352SS..EExtended strand (participates in β ladder)trans-100.5139.3172.3179.8179.9-23.400109.5K6 V7 T42K6-Q171 WeakPolarHBondContact O-CG 3.32Å; V7-Q171 HydrophobicContact CG1-CB 4.34Å; T42-Q171 HydrophobicContact CG2-CB 3.73Å
172L97Very high97.1Very high57 Ų5760.1 Ų60.130%0.29833%0.33SS..EExtended strand (participates in β ladder)trans-82131.4168.1-59.8177.8000108.7K6 F8 V22K6-L172 HydrophobicContact CB-CB 4.24Å; K6-L172 HydrophobicContact CB-CD1 4.24Å; K6-L172 PolarHBondContact O-N 2.81Å; F8-L172 HydrophobicContact CD1-CD2 3.62Å; F8-L172 HydrophobicContact CD1-CG 4.09Å; F8-L172 HydrophobicContact CE1-CD2 4.25Å; F8-L172 HydrophobicContact CG-CD2 4.35Å; V22-L172 HydrophobicContact CG1-CD1 3.58Å; V22-L172 HydrophobicContact CG2-CD1 4.09Å
173S81.9Confident97Very high186 Ų18654.5 Ų54.5100%1.30131%0.312SS*.  trans-70.90177.1580000112.6

Retrieved 173 of 173 residues in 183.5 ms (Link to these results)

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