A0A077ZAF8_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 A0A077ZAF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 283 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
1M74Confident95.1Very high183 Ų18351.6 Ų51.690%0.90124%0.237SC*.  0135.70-166.2177.3-132.500107.9N26M1-N26 PolarHBondContact SD-ND2 3.26Å
2E90.1Very high95.3Very high145 Ų14548.6 Ų48.668%0.67822%0.224SC*.PPolyproline II helixtrans-71.1140174.3-170.7174.1-17500109.8Q4 N26E2-Q4 PolarHBondContact O-N 3.49Å; E2-N26 PolarHBondContact O-ND2 3.39Å; E2-N26 VanDerWaalsContact O-ND2 3.1Å
3R95.7Very high95.5Very high69 Ų6950.6 Ų50.626%0.2624%0.238SC..PPolyproline II helixtrans-75121.7178-76-175.5178.9169.55.6110.7Q23 L24 N26 D27R3-Q23 HydrophobicContact CB-CG 3.84Å; R3-L24 VanDerWaalsContact CB-O 3.25Å; R3-L24 WeakPolarHBondContact CB-O 3.43Å; R3-L24 WeakPolarHBondContact CD-O 3.37Å; R3-L24 VanDerWaalsContact CG-O 3.25Å; R3-L24 WeakPolarHBondContact CG-O 3.45Å; R3-N26 VanDerWaalsContact CA-OD1 3.29Å; R3-N26 WeakPolarHBondContact CA-OD1 3.34Å; R3-D27 WeakPolarHBondContact CG-OD1 3.16Å; R3-D27 IonicContact CZ-OD1 3.87Å; R3-D27 IonicContact CZ-OD2 3.55Å; R3-D27 IonicContact NE-OD1 3.59Å; R3-D27 PolarHBondContact NE-OD1 3.39Å; R3-D27 IonicContact NE-OD2 2.77Å; R3-D27 PolarHBondContact NE-OD2 3.35Å; R3-D27 IonicContact NH2-OD1 2.79Å; R3-D27 PolarHBondContact NH2-OD1 2.78Å; R3-D27 IonicContact NH2-OD2 3.49Å; R3-D27 PolarHBondContact NH2-OD2 2.78Å
4Q96.9Very high95.4Very high53 Ų5357.7 Ų57.725%0.24828%0.278CS..PPolyproline II helixtrans-66154178.4-65.6172.2-27.300110.8E2 L24 N26E2-Q4 PolarHBondContact O-N 3.49Å; Q4-L24 HydrophobicContact CB-CD1 4.45Å; Q4-L24 PolarHBondContact O-N 3.34Å; Q4-N26 PolarHBondContact N-OD1 3.22Å
5R97.9Very high95.6Very high74 Ų7460.4 Ų60.428%0.27930%0.299SS..EExtended strand (participates in β ladder)trans-124.5134.8176.4-65.4175.8-171169.64.7110.3F22 I141 Q173 L174 Y279R5-F22 WeakPolarHBondContact CA-O 3.31Å; R5-F22 WeakPolarHBondContact CB-O 3.29Å; R5-I141 HydrophobicContact CG-CD1 4.19Å; R5-Q173 WeakPolarHBondContact O-CG 3.41Å; R5-L174 HydrophobicContact CB-CB 4.08Å; R5-L174 HydrophobicContact CB-CD1 4.45Å; R5-L174 PolarHBondContact O-N 3.06Å; R5-Y279 PolarHBondContact NH1-OH 3.39Å
6C98.4Very high95.7Very high0 Ų063.6 Ų63.60%033%0.326CS..EExtended strand (participates in β ladder)trans-120.2162172.9-67.30000109.8V21 F22 F36 C40 G172C6-V21 WeakPolarHBondContact O-CA 3.18Å; C6-F22 PolarHBondContact N-O 2.88Å; C6-F22 VanDerWaalsContact N-O 3.13Å; C6-F22 PolarHBondContact O-N 3.31Å; C6-F36 HydrophobicContact CB-CE1 4.29Å; C6-C40 HydrophobicContact CB-CB 4.29Å; C6-G172 CarbonylContact C-O 3.57Å; C6-G172 VanDerWaalsContact CA-O 3.23Å; C6-G172 WeakPolarHBondContact CA-O 3.43Å; C6-G172 WeakPolarHBondContact CB-O 3.48Å
7F98.6Very high95.9Very high2 Ų263.4 Ų63.41%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-134.3157.6175.475.8-84.7000111.8R19 I20 V21 H170 C171 G172 L174F7-R19 HydrophobicContact CB-CG 4.08Å; F7-R19 HydrophobicContact CD2-CG 4.37Å; F7-R19 VanDerWaalsContact CD2-CZ 3.4Å; F7-R19 VanDerWaalsContact CE2-NH2 3.27Å; F7-I20 CarbonylContact C-O 3.55Å; F7-I20 WeakPolarHBondContact CA-O 3.33Å; F7-V21 HydrophobicContact CB-CG2 4.46Å; F7-H170 HydrophobicContact CE2-CB 4.32Å; F7-C171 WeakPolarHBondContact O-CA 3.33Å; F7-C171 WeakPolarHBondContact O-CB 3.37Å; F7-G172 VanDerWaalsContact CD1-O 3.31Å; F7-G172 WeakPolarHBondContact CD1-O 3.33Å; F7-G172 PolarHBondContact N-O 2.87Å; F7-G172 PolarHBondContact O-N 2.95Å; F7-L174 HydrophobicContact CB-CD1 4.34Å; F7-L174 HydrophobicContact CB-CD2 4.22Å; F7-L174 HydrophobicContact CB-CG 4.19Å; F7-L174 HydrophobicContact CD1-CD2 3.37Å; F7-L174 HydrophobicContact CD1-CG 3.83Å; F7-L174 HydrophobicContact CE1-CD2 3.99Å; F7-L174 HydrophobicContact CG-CD2 4.01Å; F7-L174 HydrophobicContact CG-CG 4.41Å
8M98.7Very high96Very high0 Ų061.4 Ų61.40%032%0.323CS..EExtended strand (participates in β ladder)trans-135.8123.5169-69.5173.1-179.300108.8I10 R19 I20 F22 F36 Y56 F120 I168 H170 C171M8-I10 HydrophobicContact CB-CD1 3.89Å; M8-R19 CarbonylContact O-C 3.54Å; M8-R19 WeakPolarHBondContact O-CA 3.43Å; M8-I20 PolarHBondContact N-O 3.31Å; M8-I20 PolarHBondContact O-N 3.11Å; M8-F22 HydrophobicContact CB-CE2 4.18Å; M8-F22 HydrophobicContact CE-CE2 4.29Å; M8-F22 HydrophobicContact CG-CE2 3.83Å; M8-F22 HydrophobicContact SD-CE2 3.7Å; M8-F22 HydrophobicContact SD-CZ 3.94Å; M8-F36 HydrophobicContact CE-CE1 4.25Å; M8-F36 HydrophobicContact CE-CE2 3.97Å; M8-F36 HydrophobicContact CE-CZ 3.45Å; M8-F36 VanDerWaalsContact CE-CZ 3.45Å; M8-Y56 HydrophobicContact CE-CD2 3.61Å; M8-Y56 HydrophobicContact CE-CE2 4.05Å; M8-Y56 HydrophobicContact CE-CG 4.23Å; M8-F120 HydrophobicContact CE-CE1 3.86Å; M8-F120 HydrophobicContact CE-CE2 4.46Å; M8-F120 HydrophobicContact CE-CZ 3.59Å; M8-F120 HydrophobicContact SD-CE2 4.47Å; M8-F120 HydrophobicContact SD-CZ 3.79Å; M8-I168 HydrophobicContact CB-CG2 4.15Å; M8-I168 HydrophobicContact CE-CD1 4.1Å; M8-I168 HydrophobicContact CG-CD1 4.4Å; M8-I168 HydrophobicContact CG-CG2 4.04Å; M8-I168 HydrophobicContact SD-CD1 3.64Å; M8-I168 HydrophobicContact SD-CG1 4.27Å; M8-H170 CarbonylContact C-O 3.54Å; M8-H170 WeakPolarHBondContact CA-O 3.38Å; M8-C171 HydrophobicContact CG-CB 4Å
9D98.5Very high96.1Very high35 Ų3563.2 Ų63.219%0.18733%0.325CS..EExtended strand (participates in β ladder)trans-88.8123.2168-66.3-35.9000108.8R19 I168 V169 H170D9-R19 VanDerWaalsContact OD1-CB 3.29Å; D9-R19 WeakPolarHBondContact OD1-CB 3.46Å; D9-R19 WeakPolarHBondContact OD1-CG 3.4Å; D9-R19 IonicContact OD1-CZ 3.36Å; D9-R19 IonicContact OD1-NE 2.68Å; D9-R19 PolarHBondContact OD1-NE 2.9Å; D9-R19 IonicContact OD1-NH2 3.19Å; D9-R19 PolarHBondContact OD1-NH2 2.84Å; D9-R19 IonicContact OD2-CZ 3.64Å; D9-R19 IonicContact OD2-NE 3.74Å; D9-R19 IonicContact OD2-NH2 2.73Å; D9-R19 PolarHBondContact OD2-NH2 2.9Å; D9-I168 CarbonylContact O-C 3.58Å; D9-V169 PolarHBondContact O-N 3.37Å; D9-H170 HydrophobicContact CB-CB 4.05Å; D9-H170 PolarHBondContact N-O 3Å
10I98.6Very high96.2Very high3 Ų360 Ų602%0.01531%0.308CS..EExtended strand (participates in β ladder)trans-107.3141.8-172.9-52.2-53.5000110.1M8 L17 G18 I20 F61 V146 I150 V166 V167 I168M8-I10 HydrophobicContact CB-CD1 3.89Å; I10-L17 HydrophobicContact CG2-CD2 4.32Å; I10-L17 PolarHBondContact O-N 3.14Å; I10-G18 PolarHBondContact N-O 2.81Å; I10-G18 PolarHBondContact O-N 3.04Å; I10-I20 HydrophobicContact CD1-CD1 4.39Å; I10-I20 HydrophobicContact CG1-CD1 3.88Å; I10-I20 HydrophobicContact CG1-CG1 4.22Å; I10-F61 HydrophobicContact CD1-CE2 3.7Å; I10-V146 HydrophobicContact CB-CG1 4.08Å; I10-V146 HydrophobicContact CG1-CG1 3.99Å; I10-I150 HydrophobicContact CG1-CD1 4.24Å; I10-I150 HydrophobicContact CG2-CD1 3.94Å; I10-I150 HydrophobicContact CG2-CG1 4.32Å; I10-V166 HydrophobicContact CG2-CG1 3.77Å; I10-V167 WeakPolarHBondContact CA-O 3.5Å; I10-I168 HydrophobicContact CD1-CB 4.48Å; I10-I168 HydrophobicContact CD1-CG1 3.91Å
11A98.3Very high96.4Very high4 Ų458 Ų583%0.03330%0.299CS..EExtended strand (participates in β ladder)trans-126.6151.5164.700000110.7V15 V166 V167 V169A11-V15 CarbonylContact C-O 3.56Å; A11-V15 WeakPolarHBondContact CA-O 3.33Å; A11-V15 WeakPolarHBondContact CB-O 3.46Å; A11-V166 WeakPolarHBondContact O-CA 3.46Å; A11-V167 PolarHBondContact N-O 3.26Å; A11-V167 PolarHBondContact O-N 2.84Å; A11-V169 HydrophobicContact CB-CG2 3.42Å; A11-V169 VanDerWaalsContact CB-CG2 3.42Å
12I98.4Very high97.5Very high15 Ų1549.3 Ų49.38%0.07726%0.256CS..EExtended strand (participates in β ladder)trans-117.4121.8170.6-59-172.6000107.5N14 V15 L17 Q153 R164 D165 V166I12-N14 PolarHBondContact O-N 3.21Å; I12-V15 PolarHBondContact N-O 2.8Å; I12-V15 WeakPolarHBondContact O-CB 3.39Å; I12-V15 PolarHBondContact O-N 2.91Å; I12-L17 HydrophobicContact CD1-CD2 3.79Å; I12-L17 HydrophobicContact CG1-CD2 4.1Å; I12-Q153 HydrophobicContact CD1-CG 4.06Å; I12-R164 HydrophobicContact CG2-CB 3.58Å; I12-R164 HydrophobicContact CG2-CG 4.27Å; I12-D165 WeakPolarHBondContact CA-O 3.43Å; I12-V166 HydrophobicContact CD1-CG2 4.39Å; I12-V166 HydrophobicContact CG1-CG1 4.44Å; I12-V166 HydrophobicContact CG1-CG2 4.2Å
13D97.2Very high97.9Very high75 Ų7543.8 Ų43.840%0.40123%0.23SC..THydrogen-bonded Turntrans49.442.7-175.6-63.5-20.3000112.8V15 R164 D165D13-V15 PolarHBondContact O-N 3.22Å; D13-R164 WeakPolarHBondContact OD1-CA 3.43Å; D13-R164 WeakPolarHBondContact OD1-CB 3.35Å; D13-R164 WeakPolarHBondContact OD2-CB 3.2Å; D13-R164 WeakPolarHBondContact OD2-CD 3.46Å; D13-R164 WeakPolarHBondContact OD2-CG 3.14Å; D13-R164 IonicContact OD2-NE 3.56Å; D13-D165 PolarHBondContact N-O 2.75Å; D13-D165 PolarHBondContact OD1-N 3.39Å
14N95Very high98Very high150 Ų15040.5 Ų40.580%0.80222%0.218SC*.THydrogen-bonded Turntrans66.44.2-175.5-52.4-63.2000116.2I12 P16I12-N14 PolarHBondContact O-N 3.21Å; N14-P16 WeakPolarHBondContact O-CD 3.47Å
15V97.7Very high98.1Very high98 Ų9838.4 Ų38.459%0.59421%0.208SC*.EExtended strand (participates in β ladder)trans-86.8118.2170.3-176.80000108.8A11 I12 D13 L17A11-V15 CarbonylContact C-O 3.56Å; A11-V15 WeakPolarHBondContact CA-O 3.33Å; A11-V15 WeakPolarHBondContact CB-O 3.46Å; I12-V15 PolarHBondContact N-O 2.8Å; I12-V15 WeakPolarHBondContact O-CB 3.39Å; I12-V15 PolarHBondContact O-N 2.91Å; D13-V15 PolarHBondContact O-N 3.22Å; V15-L17 PolarHBondContact O-N 2.85Å
16P97.9Very high98.1Very high112 Ų11235.3 Ų35.373%0.72720%0.197SC*.EExtended strand (participates in β ladder)trans-57.3124.9176.6-24.134.5000111.1N14N14-P16 WeakPolarHBondContact O-CD 3.47Å
17L98Very high98.1Very high59 Ų5938.8 Ų38.831%0.30922%0.215SC..EExtended strand (participates in β ladder)trans-94.6-48.9179.117661.4000111.1I10 I12 V15 V146 E149 I150I10-L17 HydrophobicContact CG2-CD2 4.32Å; I10-L17 PolarHBondContact O-N 3.14Å; I12-L17 HydrophobicContact CD1-CD2 3.79Å; I12-L17 HydrophobicContact CG1-CD2 4.1Å; V15-L17 PolarHBondContact O-N 2.85Å; L17-V146 HydrophobicContact CD2-CG1 3.76Å; L17-V146 HydrophobicContact CG-CG1 4Å; L17-E149 HydrophobicContact CD1-CB 4.17Å; L17-E149 HydrophobicContact CD1-CG 3.69Å; L17-E149 HydrophobicContact CD2-CB 4.15Å; L17-E149 HydrophobicContact CD2-CG 4.06Å; L17-I150 HydrophobicContact CD2-CG1 4.02Å
18G98Very high98Very high28 Ų2839.7 Ų39.729%0.28922%0.221SC..EExtended strand (participates in β ladder)trans158.9-171.5-178.400000113.4I10I10-G18 PolarHBondContact N-O 2.81Å; I10-G18 PolarHBondContact O-N 3.04Å
19R98.5Very high98Very high95 Ų9539.7 Ų39.736%0.35822%0.221SC..EExtended strand (participates in β ladder)trans-111.8130.3-177.3179.5171.1-72.3-163.5-6.1111.4F7 M8 D9 V21 G143F7-R19 HydrophobicContact CB-CG 4.08Å; F7-R19 HydrophobicContact CD2-CG 4.37Å; F7-R19 VanDerWaalsContact CD2-CZ 3.4Å; F7-R19 VanDerWaalsContact CE2-NH2 3.27Å; M8-R19 CarbonylContact O-C 3.54Å; M8-R19 WeakPolarHBondContact O-CA 3.43Å; D9-R19 VanDerWaalsContact OD1-CB 3.29Å; D9-R19 WeakPolarHBondContact OD1-CB 3.46Å; D9-R19 WeakPolarHBondContact OD1-CG 3.4Å; D9-R19 IonicContact OD1-CZ 3.36Å; D9-R19 IonicContact OD1-NE 2.68Å; D9-R19 PolarHBondContact OD1-NE 2.9Å; D9-R19 IonicContact OD1-NH2 3.19Å; D9-R19 PolarHBondContact OD1-NH2 2.84Å; D9-R19 IonicContact OD2-CZ 3.64Å; D9-R19 IonicContact OD2-NE 3.74Å; D9-R19 IonicContact OD2-NH2 2.73Å; D9-R19 PolarHBondContact OD2-NH2 2.9Å; R19-V21 HydrophobicContact CG-CG2 4.01Å; R19-G143 VanDerWaalsContact O-CA 3.31Å; R19-G143 WeakPolarHBondContact O-CA 3.38Å
20I98.6Very high98Very high0 Ų041.3 Ų41.30%023%0.234CC..EExtended strand (participates in β ladder)trans-96.3133.6165.7-52170.6000108.3F7 M8 I10 F22 V140 V146 V147 I150F7-I20 CarbonylContact C-O 3.55Å; F7-I20 WeakPolarHBondContact CA-O 3.33Å; M8-I20 PolarHBondContact N-O 3.31Å; M8-I20 PolarHBondContact O-N 3.11Å; I10-I20 HydrophobicContact CD1-CD1 4.39Å; I10-I20 HydrophobicContact CG1-CD1 3.88Å; I10-I20 HydrophobicContact CG1-CG1 4.22Å; I20-F22 HydrophobicContact CB-CE2 4.14Å; I20-F22 HydrophobicContact CB-CZ 3.93Å; I20-F22 HydrophobicContact CG2-CD1 4.25Å; I20-F22 HydrophobicContact CG2-CE1 3.56Å; I20-F22 HydrophobicContact CG2-CE2 3.84Å; I20-F22 HydrophobicContact CG2-CZ 3.32Å; I20-V140 HydrophobicContact CG2-CG1 3.82Å; I20-V140 HydrophobicContact CG2-CG2 4.12Å; I20-V146 HydrophobicContact CD1-CG1 4.02Å; I20-V146 HydrophobicContact CG1-CB 3.97Å; I20-V146 HydrophobicContact CG1-CG1 3.67Å; I20-V147 HydrophobicContact CD1-CG2 3.75Å; I20-V147 HydrophobicContact CG1-CG2 4.13Å; I20-V147 HydrophobicContact CG2-CG2 4.19Å; I20-I150 HydrophobicContact CD1-CD1 4.08Å
21V98.5Very high98Very high19 Ų1945.1 Ų45.112%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-117.8130174.4-174.70000109.7C6 F7 R19 V140 I141 A142 L174C6-V21 WeakPolarHBondContact O-CA 3.18Å; F7-V21 HydrophobicContact CB-CG2 4.46Å; R19-V21 HydrophobicContact CG-CG2 4.01Å; V21-V140 WeakPolarHBondContact O-CA 3.42Å; V21-I141 HydrophobicContact CB-CG1 4.05Å; V21-I141 HydrophobicContact CG1-CD1 3.81Å; V21-I141 HydrophobicContact CG1-CG1 3.73Å; V21-I141 WeakPolarHBondContact O-CG1 3.21Å; V21-I141 PolarHBondContact O-N 2.88Å; V21-A142 HydrophobicContact CB-CB 4.01Å; V21-A142 HydrophobicContact CG2-CB 4.08Å; V21-A142 PolarHBondContact N-O 2.99Å; V21-A142 PolarHBondContact O-N 3.41Å; V21-L174 HydrophobicContact CG1-CD1 3.53Å; V21-L174 HydrophobicContact CG2-CD1 4.16Å
22F98.6Very high98Very high0 Ų045 Ų450%025%0.252CS..EExtended strand (participates in β ladder)trans-108.2142.2-179.3-52.5-81.2000110.7R5 C6 M8 I20 L24 F36 L106 I122 R139 V140R5-F22 WeakPolarHBondContact CA-O 3.31Å; R5-F22 WeakPolarHBondContact CB-O 3.29Å; C6-F22 PolarHBondContact N-O 2.88Å; C6-F22 VanDerWaalsContact N-O 3.13Å; C6-F22 PolarHBondContact O-N 3.31Å; M8-F22 HydrophobicContact CB-CE2 4.18Å; M8-F22 HydrophobicContact CE-CE2 4.29Å; M8-F22 HydrophobicContact CG-CE2 3.83Å; M8-F22 HydrophobicContact SD-CE2 3.7Å; M8-F22 HydrophobicContact SD-CZ 3.94Å; I20-F22 HydrophobicContact CB-CE2 4.14Å; I20-F22 HydrophobicContact CB-CZ 3.93Å; I20-F22 HydrophobicContact CG2-CD1 4.25Å; I20-F22 HydrophobicContact CG2-CE1 3.56Å; I20-F22 HydrophobicContact CG2-CE2 3.84Å; I20-F22 HydrophobicContact CG2-CZ 3.32Å; F22-L24 HydrophobicContact CB-CD2 4.31Å; F22-F36 HydrophobicContact CD2-CE1 4.28Å; F22-F36 HydrophobicContact CD2-CZ 4.38Å; F22-F36 HydrophobicContact CE2-CZ 4.44Å; F22-F36 HydrophobicContact CG-CE1 4.49Å; F22-L106 HydrophobicContact CB-CD2 4.27Å; F22-L106 HydrophobicContact CD1-CD1 4.32Å; F22-L106 HydrophobicContact CD1-CD2 3.8Å; F22-L106 HydrophobicContact CD1-CG 4.47Å; F22-L106 HydrophobicContact CE1-CD1 4.18Å; F22-L106 HydrophobicContact CE1-CD2 4.44Å; F22-L106 HydrophobicContact CG-CD2 4.15Å; F22-I122 HydrophobicContact CE1-CD1 3.57Å; F22-I122 HydrophobicContact CE1-CG1 4.1Å; F22-I122 HydrophobicContact CZ-CD1 3.87Å; F22-R139 CarbonylContact C-O 3.52Å; F22-R139 WeakPolarHBondContact CA-O 3.4Å; F22-V140 HydrophobicContact CD1-CG2 4.12Å; F22-V140 HydrophobicContact CE1-CG2 3.96Å
23Q98.4Very high98Very high28 Ų2844.2 Ų44.213%0.13125%0.248CC..EExtended strand (participates in β ladder)trans-102126.1160177.5170.966.100108.6R3 G138 R139 I141R3-Q23 HydrophobicContact CB-CG 3.84Å; Q23-G138 CarbonylContact O-C 3.43Å; Q23-G138 WeakPolarHBondContact O-CA 3.37Å; Q23-R139 HydrophobicContact CB-CG 4.46Å; Q23-R139 PolarHBondContact N-O 3.46Å; Q23-R139 PolarHBondContact O-N 3.48Å; Q23-I141 HydrophobicContact CB-CD1 4.29Å; Q23-I141 HydrophobicContact CB-CG2 3.61Å
24L98.5Very high98.1Very high0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-94142.8179.6-55-173.9000110.6R3 Q4 F22 N26 C33 F36 R37 L106 F137R3-L24 VanDerWaalsContact CB-O 3.25Å; R3-L24 WeakPolarHBondContact CB-O 3.43Å; R3-L24 WeakPolarHBondContact CD-O 3.37Å; R3-L24 VanDerWaalsContact CG-O 3.25Å; R3-L24 WeakPolarHBondContact CG-O 3.45Å; Q4-L24 HydrophobicContact CB-CD1 4.45Å; Q4-L24 PolarHBondContact O-N 3.34Å; F22-L24 HydrophobicContact CB-CD2 4.31Å; L24-N26 VanDerWaalsContact C-N 3.26Å; L24-N26 PolarHBondContact O-N 3.49Å; L24-N26 PolarHBondContact O-OD1 3.36Å; L24-C33 HydrophobicContact CB-CB 4.16Å; L24-C33 HydrophobicContact CD1-CB 4.38Å; L24-F36 HydrophobicContact CD1-CD1 4.3Å; L24-F36 HydrophobicContact CD2-CD1 3.84Å; L24-F36 HydrophobicContact CD2-CE1 4.2Å; L24-R37 HydrophobicContact CD1-CB 3.97Å; L24-L106 HydrophobicContact CD2-CD2 4.02Å; L24-F137 HydrophobicContact CD2-CD2 4.3Å; L24-F137 HydrophobicContact CD2-CE2 4.33Å
25F98.3Very high98.3Very high10 Ų1035.8 Ų35.84%0.04420%0.201CC..  trans-91.948.9178.8-54.9-29.5000111.6D27 V28 V29 C33 F98 V136 F137 R139F25-D27 VanDerWaalsContact C-OD1 3.31Å; F25-D27 WeakPolarHBondContact CA-OD1 3.32Å; F25-D27 PolarHBondContact O-N 3.21Å; F25-V28 PolarHBondContact O-N 2.84Å; F25-V29 HydrophobicContact CB-CG2 4.25Å; F25-V29 PolarHBondContact O-N 3Å; F25-C33 PolarHBondContact N-SG 3.38Å; F25-C33 VanDerWaalsContact N-SG 3.41Å; F25-F98 HydrophobicContact CB-CD2 4.37Å; F25-F98 HydrophobicContact CB-CE2 3.75Å; F25-F98 HydrophobicContact CB-CZ 4.46Å; F25-F98 HydrophobicContact CD2-CD1 4.47Å; F25-F98 AromaticContact CD2-CD2 3.47Å; F25-F98 HydrophobicContact CD2-CD2 3.47Å; F25-F98 VanDerWaalsContact CD2-CD2 3.47Å; F25-F98 HydrophobicContact CD2-CE1 4.48Å; F25-F98 AromaticContact CD2-CE2 3.46Å; F25-F98 HydrophobicContact CD2-CE2 3.46Å; F25-F98 VanDerWaalsContact CD2-CE2 3.46Å; F25-F98 HydrophobicContact CD2-CG 4.01Å; F25-F98 HydrophobicContact CD2-CZ 4.01Å; F25-F98 HydrophobicContact CE2-CD1 4.34Å; F25-F98 HydrophobicContact CE2-CD2 4.08Å; F25-F98 HydrophobicContact CE2-CE1 4.49Å; F25-F98 HydrophobicContact CE2-CE2 4.22Å; F25-F98 HydrophobicContact CE2-CG 4.15Å; F25-F98 HydrophobicContact CE2-CZ 4.43Å; F25-F98 HydrophobicContact CG-CD2 4.21Å; F25-F98 AromaticContact CG-CE2 3.73Å; F25-F98 HydrophobicContact CG-CE2 3.73Å; F25-F98 HydrophobicContact CG-CZ 4.16Å; F25-V136 HydrophobicContact CD2-CG1 4.37Å; F25-V136 HydrophobicContact CE2-CG1 4Å; F25-F137 PolarHBondContact N-O 3.35Å; F25-R139 HydrophobicContact CE1-CG 4.08Å; F25-R139 HydrophobicContact CZ-CB 4.11Å; F25-R139 HydrophobicContact CZ-CG 3.91Å
26N97.7Very high98.3Very high9 Ų931.1 Ų31.15%0.04817%0.173CC..THydrogen-bonded Turntrans-65.1-10.4-176.356.8-88.9000114M1 E2 R3 Q4 L24 V28 C33M1-N26 PolarHBondContact SD-ND2 3.26Å; E2-N26 PolarHBondContact O-ND2 3.39Å; E2-N26 VanDerWaalsContact O-ND2 3.1Å; R3-N26 VanDerWaalsContact CA-OD1 3.29Å; R3-N26 WeakPolarHBondContact CA-OD1 3.34Å; Q4-N26 PolarHBondContact N-OD1 3.22Å; L24-N26 VanDerWaalsContact C-N 3.26Å; L24-N26 PolarHBondContact O-N 3.49Å; L24-N26 PolarHBondContact O-OD1 3.36Å; N26-V28 VanDerWaalsContact C-N 3.31Å; N26-C33 HydrophobicContact CB-CB 3.76Å; N26-C33 PolarHBondContact N-SG 2.82Å
27D97.5Very high98.3Very high72 Ų7226.6 Ų26.639%0.38514%0.141SC..THydrogen-bonded Turntrans-75.6-15.7168.655.7-53.8000113.7R3 F25R3-D27 WeakPolarHBondContact CG-OD1 3.16Å; R3-D27 IonicContact CZ-OD1 3.87Å; R3-D27 IonicContact CZ-OD2 3.55Å; R3-D27 IonicContact NE-OD1 3.59Å; R3-D27 PolarHBondContact NE-OD1 3.39Å; R3-D27 IonicContact NE-OD2 2.77Å; R3-D27 PolarHBondContact NE-OD2 3.35Å; R3-D27 IonicContact NH2-OD1 2.79Å; R3-D27 PolarHBondContact NH2-OD1 2.78Å; R3-D27 IonicContact NH2-OD2 3.49Å; R3-D27 PolarHBondContact NH2-OD2 2.78Å; F25-D27 VanDerWaalsContact C-OD1 3.31Å; F25-D27 WeakPolarHBondContact CA-OD1 3.32Å; F25-D27 PolarHBondContact O-N 3.21Å
28V97.7Very high98.4Very high21 Ų2123.8 Ų23.813%0.12713%0.127CC..THydrogen-bonded Turntrans-123.4-38.6-175.3-179.60000112.7F25 N26 P30 N95 R97 F98F25-V28 PolarHBondContact O-N 2.84Å; N26-V28 VanDerWaalsContact C-N 3.31Å; V28-P30 VanDerWaalsContact C-CD 3.44Å; V28-N95 PolarHBondContact O-ND2 3.23Å; V28-R97 HydrophobicContact CG1-CB 4.23Å; V28-R97 HydrophobicContact CG1-CG 4.5Å; V28-F98 HydrophobicContact CB-CD2 4.5Å; V28-F98 HydrophobicContact CB-CE2 3.7Å; V28-F98 HydrophobicContact CB-CZ 4.5Å; V28-F98 HydrophobicContact CG1-CD2 4.15Å; V28-F98 HydrophobicContact CG1-CE2 3.72Å; V28-F98 HydrophobicContact CG2-CE2 3.64Å; V28-F98 HydrophobicContact CG2-CZ 3.95Å
29V98.1Very high98.4Very high0 Ų022.4 Ų22.40%011%0.113CC..  trans-128.662.9179.1-75.80000110.8F25 I31 T32 C33 E94 N95 V135 F137F25-V29 HydrophobicContact CB-CG2 4.25Å; F25-V29 PolarHBondContact O-N 3Å; V29-I31 VanDerWaalsContact C-N 3.31Å; V29-I31 PolarHBondContact O-N 2.93Å; V29-T32 PolarHBondContact O-N 3.19Å; V29-C33 WeakPolarHBondContact O-CB 3.23Å; V29-C33 PolarHBondContact O-N 2.77Å; V29-C33 PolarHBondContact O-SG 2.73Å; V29-E94 VanDerWaalsContact C-CD 3.45Å; V29-E94 VanDerWaalsContact C-OE1 3.26Å; V29-E94 WeakPolarHBondContact CA-OE1 3.48Å; V29-E94 WeakPolarHBondContact CA-OE2 3.42Å; V29-E94 HydrophobicContact CB-CG 4.42Å; V29-E94 VanDerWaalsContact CB-OE2 3.24Å; V29-E94 WeakPolarHBondContact CB-OE2 3.25Å; V29-E94 HydrophobicContact CG1-CB 4.25Å; V29-E94 HydrophobicContact CG1-CG 4.16Å; V29-N95 VanDerWaalsContact CG1-ND2 3.25Å; V29-N95 WeakPolarHBondContact CG1-ND2 3.23Å; V29-V135 HydrophobicContact CG1-CG1 4.02Å; V29-F137 HydrophobicContact CG2-CB 3.62Å
30P98.3Very high98.4Very high69 Ų6917.9 Ų17.945%0.44810%0.096SC..Hα-helixtrans-56.7-37.2-175.722.4-35.3000114.5V28 E34 E94V28-P30 VanDerWaalsContact C-CD 3.44Å; P30-E34 VanDerWaalsContact O-CB 3.23Å; P30-E34 WeakPolarHBondContact O-CB 3.43Å; P30-E34 PolarHBondContact O-N 2.89Å; P30-E94 WeakPolarHBondContact CD-OE1 3.24Å; P30-E94 WeakPolarHBondContact CG-OE1 3.24Å; P30-E94 VanDerWaalsContact N-OE1 3.07Å
31I98.5Very high98.4Very high84 Ų8419.2 Ų19.243%0.43110%0.104SC..Hα-helixtrans-67.7-49.7-179.7-61.1173.2000109.3V29 C33 E34 N35 Y87 F91 E94V29-I31 VanDerWaalsContact C-N 3.31Å; V29-I31 PolarHBondContact O-N 2.93Å; I31-C33 VanDerWaalsContact C-N 3.35Å; I31-C33 PolarHBondContact O-N 2.82Å; I31-E34 PolarHBondContact O-N 2.68Å; I31-N35 PolarHBondContact O-N 3.3Å; I31-Y87 HydrophobicContact CG2-CD2 4.35Å; I31-Y87 HydrophobicContact CG2-CE2 3.48Å; I31-Y87 VanDerWaalsContact CG2-CE2 3.48Å; I31-Y87 PolarHBondContact O-OH 2.98Å; I31-F91 HydrophobicContact CG2-CD2 4.08Å; I31-F91 HydrophobicContact CG2-CE2 4.39Å; I31-E94 PolarHBondContact N-OE1 3.23Å; I31-E94 PolarHBondContact N-OE2 3.32Å
32T98.7Very high98.4Very high0 Ų019.2 Ų19.20%011%0.107CC..Hα-helixtrans-62.7-43.4-179.6-490000111.3V29 N35 F36 F91 E94 M108 V135 F137V29-T32 PolarHBondContact O-N 3.19Å; T32-N35 PolarHBondContact O-N 2.96Å; T32-F36 PolarHBondContact O-N 3.14Å; T32-F36 VanDerWaalsContact O-N 3.16Å; T32-F91 HydrophobicContact CG2-CE2 4.37Å; T32-F91 HydrophobicContact CG2-CZ 4.2Å; T32-E94 WeakPolarHBondContact CB-OE2 3.47Å; T32-E94 PolarHBondContact N-OE2 3.13Å; T32-E94 PolarHBondContact OG1-OE2 2.86Å; T32-M108 HydrophobicContact CG2-CG 3.47Å; T32-M108 VanDerWaalsContact CG2-CG 3.47Å; T32-M108 HydrophobicContact CG2-SD 3.92Å; T32-V135 HydrophobicContact CG2-CG1 4.12Å; T32-F137 HydrophobicContact CG2-CB 3.56Å; T32-F137 HydrophobicContact CG2-CD1 3.72Å; T32-F137 HydrophobicContact CG2-CD2 4.35Å; T32-F137 HydrophobicContact CG2-CE1 4.48Å; T32-F137 HydrophobicContact CG2-CG 3.63Å
33C98.7Very high98.3Very high0 Ų024 Ų240%013%0.13CC..Hα-helixtrans-66.6-41.3178-69.70000113L24 F25 N26 V29 I31 N35 F36 R37 F137L24-C33 HydrophobicContact CB-CB 4.16Å; L24-C33 HydrophobicContact CD1-CB 4.38Å; F25-C33 PolarHBondContact N-SG 3.38Å; F25-C33 VanDerWaalsContact N-SG 3.41Å; N26-C33 HydrophobicContact CB-CB 3.76Å; N26-C33 PolarHBondContact N-SG 2.82Å; V29-C33 WeakPolarHBondContact O-CB 3.23Å; V29-C33 PolarHBondContact O-N 2.77Å; V29-C33 PolarHBondContact O-SG 2.73Å; I31-C33 VanDerWaalsContact C-N 3.35Å; I31-C33 PolarHBondContact O-N 2.82Å; C33-N35 VanDerWaalsContact C-N 3.33Å; C33-F36 PolarHBondContact O-N 3.05Å; C33-R37 VanDerWaalsContact O-CB 3.3Å; C33-R37 WeakPolarHBondContact O-CB 3.32Å; C33-R37 PolarHBondContact O-N 2.91Å; C33-F137 PolarHBondContact SG-O 3.19Å
34E98.6Very high98.3Very high48 Ų4827.2 Ų27.222%0.22414%0.143CC..Hα-helixtrans-64.4-39.9178.1173.857.1-167.300111.1P30 I31 R37 A38 K44 I86P30-E34 VanDerWaalsContact O-CB 3.23Å; P30-E34 WeakPolarHBondContact O-CB 3.43Å; P30-E34 PolarHBondContact O-N 2.89Å; I31-E34 PolarHBondContact O-N 2.68Å; E34-R37 VanDerWaalsContact CD-NH2 3.28Å; E34-R37 PolarHBondContact O-N 3.35Å; E34-R37 IonicContact OE1-CZ 3.35Å; E34-R37 IonicContact OE1-NH2 3.6Å; E34-R37 PolarHBondContact OE1-NH2 3.39Å; E34-R37 IonicContact OE2-CZ 2.85Å; E34-R37 IonicContact OE2-NE 3.55Å; E34-R37 PolarHBondContact OE2-NE 3.25Å; E34-R37 IonicContact OE2-NH2 3.49Å; E34-R37 PolarHBondContact OE2-NH2 2.66Å; E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 2.84Å; E34-K44 WeakPolarHBondContact OE1-CE 3.32Å; E34-K44 IonicContact OE1-NZ 3.29Å; E34-K44 PolarHBondContact OE1-NZ 3.33Å; E34-I86 HydrophobicContact CG-CD1 3.99Å
35N98.8Very high98.3Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-55.3-53.6171.7178.461000111.8I31 T32 C33 R37 A38 L39 S85 I86 Y87 F91 G117I31-N35 PolarHBondContact O-N 3.3Å; T32-N35 PolarHBondContact O-N 2.96Å; C33-N35 VanDerWaalsContact C-N 3.33Å; N35-R37 PolarHBondContact O-N 3.09Å; N35-A38 PolarHBondContact O-N 2.68Å; N35-L39 WeakPolarHBondContact O-CB 3.24Å; N35-L39 WeakPolarHBondContact O-CD1 3.46Å; N35-L39 VanDerWaalsContact O-CG 3.24Å; N35-L39 WeakPolarHBondContact O-CG 3.16Å; N35-L39 PolarHBondContact O-N 3.01Å; N35-S85 WeakPolarHBondContact OD1-CA 3.33Å; N35-S85 WeakPolarHBondContact OD1-CB 3.5Å; N35-I86 HydrophobicContact CB-CD1 4.47Å; N35-I86 HydrophobicContact CB-CG1 4.21Å; N35-I86 PolarHBondContact OD1-N 2.92Å; N35-Y87 HydrophobicContact CB-CE2 3.83Å; N35-F91 HydrophobicContact CB-CE1 4.31Å; N35-F91 HydrophobicContact CB-CZ 4.38Å; N35-F91 WeakPolarHBondContact ND2-CE1 3.48Å; N35-G117 PolarHBondContact ND2-O 3Å
36F98.8Very high98.3Very high0 Ų036.7 Ų36.70%019%0.191CC..Hα-helixtrans-65.5-41.5-178.4-174.2-90.3000113C6 M8 F22 L24 T32 C33 L39 C40 Y56 L106 F120 F137C6-F36 HydrophobicContact CB-CE1 4.29Å; M8-F36 HydrophobicContact CE-CE1 4.25Å; M8-F36 HydrophobicContact CE-CE2 3.97Å; M8-F36 HydrophobicContact CE-CZ 3.45Å; M8-F36 VanDerWaalsContact CE-CZ 3.45Å; F22-F36 HydrophobicContact CD2-CE1 4.28Å; F22-F36 HydrophobicContact CD2-CZ 4.38Å; F22-F36 HydrophobicContact CE2-CZ 4.44Å; F22-F36 HydrophobicContact CG-CE1 4.49Å; L24-F36 HydrophobicContact CD1-CD1 4.3Å; L24-F36 HydrophobicContact CD2-CD1 3.84Å; L24-F36 HydrophobicContact CD2-CE1 4.2Å; T32-F36 PolarHBondContact O-N 3.14Å; T32-F36 VanDerWaalsContact O-N 3.16Å; C33-F36 PolarHBondContact O-N 3.05Å; F36-L39 PolarHBondContact O-N 3.23Å; F36-C40 WeakPolarHBondContact CE1-SG 3.48Å; F36-C40 PolarHBondContact O-N 2.97Å; F36-C40 PolarHBondContact O-SG 2.92Å; F36-Y56 AromaticContact CD2-CE2 3.75Å; F36-Y56 HydrophobicContact CD2-CE2 3.75Å; F36-Y56 WeakPolarHBondContact CD2-OH 3.44Å; F36-Y56 AromaticContact CE2-CE2 3.78Å; F36-Y56 HydrophobicContact CE2-CE2 3.78Å; F36-Y56 HydrophobicContact CG-CE2 4.27Å; F36-Y56 HydrophobicContact CZ-CE2 4.32Å; F36-L106 HydrophobicContact CD1-CD2 4.41Å; F36-L106 HydrophobicContact CE1-CD2 3.99Å; F36-L106 HydrophobicContact CE2-CD1 4.23Å; F36-L106 HydrophobicContact CE2-CD2 4.18Å; F36-L106 HydrophobicContact CZ-CD1 4.32Å; F36-L106 HydrophobicContact CZ-CD2 3.86Å; F36-F120 HydrophobicContact CD2-CD1 4.26Å; F36-F120 HydrophobicContact CD2-CG 4.42Å; F36-F120 HydrophobicContact CE2-CB 4.29Å; F36-F120 AromaticContact CE2-CD1 3.61Å; F36-F120 HydrophobicContact CE2-CD1 3.61Å; F36-F120 HydrophobicContact CE2-CD2 4.1Å; F36-F120 AromaticContact CE2-CE1 3.88Å; F36-F120 HydrophobicContact CE2-CE1 3.88Å; F36-F120 HydrophobicContact CE2-CE2 4.34Å; F36-F120 AromaticContact CE2-CG 3.73Å; F36-F120 HydrophobicContact CE2-CG 3.73Å; F36-F120 HydrophobicContact CE2-CZ 4.24Å; F36-F137 HydrophobicContact CB-CD2 4.25Å; F36-F137 HydrophobicContact CB-CE2 3.52Å; F36-F137 HydrophobicContact CB-CZ 4.13Å; F36-F137 AromaticContact CD1-CE2 3.98Å; F36-F137 HydrophobicContact CD1-CE2 3.98Å; F36-F137 AromaticContact CD2-CE2 3.49Å; F36-F137 HydrophobicContact CD2-CE2 3.49Å; F36-F137 VanDerWaalsContact CD2-CE2 3.49Å; F36-F137 AromaticContact CD2-CZ 3.45Å; F36-F137 HydrophobicContact CD2-CZ 3.45Å; F36-F137 VanDerWaalsContact CD2-CZ 3.45Å; F36-F137 HydrophobicContact CE2-CE2 4.14Å; F36-F137 AromaticContact CE2-CZ 3.97Å; F36-F137 HydrophobicContact CE2-CZ 3.97Å; F36-F137 HydrophobicContact CG-CD2 4.46Å; F36-F137 AromaticContact CG-CE2 3.39Å; F36-F137 HydrophobicContact CG-CE2 3.39Å; F36-F137 AromaticContact CG-CZ 3.88Å; F36-F137 HydrophobicContact CG-CZ 3.88Å
37R98.6Very high98.3Very high16 Ų1636.5 Ų36.56%0.0619%0.191CC..Hα-helixtrans-61.4-49177.9-175.8-157.169.472.75.4110.9L24 C33 E34 N35 L39 C40 T41 E43 Q173L24-R37 HydrophobicContact CD1-CB 3.97Å; C33-R37 VanDerWaalsContact O-CB 3.3Å; C33-R37 WeakPolarHBondContact O-CB 3.32Å; C33-R37 PolarHBondContact O-N 2.91Å; E34-R37 VanDerWaalsContact CD-NH2 3.28Å; E34-R37 PolarHBondContact O-N 3.35Å; E34-R37 IonicContact OE1-CZ 3.35Å; E34-R37 IonicContact OE1-NH2 3.6Å; E34-R37 PolarHBondContact OE1-NH2 3.39Å; E34-R37 IonicContact OE2-CZ 2.85Å; E34-R37 IonicContact OE2-NE 3.55Å; E34-R37 PolarHBondContact OE2-NE 3.25Å; E34-R37 IonicContact OE2-NH2 3.49Å; E34-R37 PolarHBondContact OE2-NH2 2.66Å; N35-R37 PolarHBondContact O-N 3.09Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.38Å; R37-C40 WeakPolarHBondContact O-CA 3.27Å; R37-C40 VanDerWaalsContact O-CB 3.31Å; R37-C40 WeakPolarHBondContact O-CB 3.42Å; R37-C40 PolarHBondContact O-N 2.8Å; R37-C40 VanDerWaalsContact O-N 3.07Å; R37-T41 PolarHBondContact O-N 3.12Å; R37-E43 IonicContact CZ-OE1 3.34Å; R37-E43 IonicContact CZ-OE2 3.01Å; R37-E43 IonicContact NH1-OE1 3.85Å; R37-E43 IonicContact NH1-OE2 2.81Å; R37-E43 PolarHBondContact NH1-OE2 3.45Å; R37-E43 VanDerWaalsContact NH2-CD 3.33Å; R37-E43 IonicContact NH2-OE1 2.78Å; R37-E43 PolarHBondContact NH2-OE1 3Å; R37-E43 IonicContact NH2-OE2 3.55Å; R37-E43 PolarHBondContact NH2-OE2 3.41Å; R37-Q173 HydrophobicContact CG-CG 4.42Å; R37-Q173 VanDerWaalsContact NH1-OE1 3.16Å
38A98.5Very high98.2Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-65.8-34.5-179.900000112.6E34 N35 C40 T41 G42 E43 K44 I86E34-A38 WeakPolarHBondContact O-CB 3.28Å; E34-A38 PolarHBondContact O-N 2.84Å; N35-A38 PolarHBondContact O-N 2.68Å; A38-C40 VanDerWaalsContact C-N 3.32Å; A38-T41 PolarHBondContact O-N 3.18Å; A38-T41 PolarHBondContact O-OG1 3.29Å; A38-G42 PolarHBondContact O-N 2.66Å; A38-E43 HydrophobicContact CB-CG 4.45Å; A38-K44 HydrophobicContact CB-CG 3.72Å; A38-I86 HydrophobicContact CB-CD1 3.91Å; A38-I86 HydrophobicContact CB-CG2 3.86Å
39L98.7Very high98.1Very high0 Ų048.7 Ų48.70%024%0.238CC..Hα-helixtrans-70-27.5171.6-71.1167.1000112.5N35 F36 R37 L54 H55 Y56 F75 I86N35-L39 WeakPolarHBondContact O-CB 3.24Å; N35-L39 WeakPolarHBondContact O-CD1 3.46Å; N35-L39 VanDerWaalsContact O-CG 3.24Å; N35-L39 WeakPolarHBondContact O-CG 3.16Å; N35-L39 PolarHBondContact O-N 3.01Å; F36-L39 PolarHBondContact O-N 3.23Å; R37-L39 VanDerWaalsContact C-N 3.32Å; R37-L39 PolarHBondContact O-N 3.38Å; L39-L54 HydrophobicContact CD2-CB 3.92Å; L39-L54 HydrophobicContact CD2-CD2 4.07Å; L39-H55 CarbonylContact O-C 3.6Å; L39-H55 WeakPolarHBondContact O-CA 3.44Å; L39-H55 PolarHBondContact O-CD2 2.83Å; L39-Y56 HydrophobicContact CB-CD1 4.33Å; L39-Y56 HydrophobicContact CB-CD2 3.76Å; L39-Y56 HydrophobicContact CB-CE1 3.96Å; L39-Y56 HydrophobicContact CB-CE2 3.35Å; L39-Y56 HydrophobicContact CB-CG 4.24Å; L39-Y56 VanDerWaalsContact CB-CZ 3.45Å; L39-Y56 HydrophobicContact CD1-CE1 4.04Å; L39-Y56 HydrophobicContact CD1-CE2 4.37Å; L39-Y56 VanDerWaalsContact CD1-OH 3.24Å; L39-Y56 WeakPolarHBondContact CD1-OH 3.4Å; L39-Y56 HydrophobicContact CG-CE1 4.49Å; L39-Y56 HydrophobicContact CG-CE2 4.48Å; L39-Y56 WeakPolarHBondContact O-CD2 3.39Å; L39-Y56 PolarHBondContact O-N 2.88Å; L39-F75 HydrophobicContact CD2-CD1 4.44Å; L39-F75 HydrophobicContact CD2-CE1 3.79Å; L39-F75 HydrophobicContact CD2-CZ 4.44Å; L39-I86 HydrophobicContact CD2-CG2 4.18Å; L39-I86 HydrophobicContact CG-CG2 3.92Å
40C98.6Very high98Very high0 Ų050.7 Ų50.70%025%0.252CS..Hα-helixtrans-70-38169.7-700000112.2C6 F36 R37 A38 H55 C171 G172C6-C40 HydrophobicContact CB-CB 4.29Å; F36-C40 WeakPolarHBondContact CE1-SG 3.48Å; F36-C40 PolarHBondContact O-N 2.97Å; F36-C40 PolarHBondContact O-SG 2.92Å; R37-C40 WeakPolarHBondContact O-CA 3.27Å; R37-C40 VanDerWaalsContact O-CB 3.31Å; R37-C40 WeakPolarHBondContact O-CB 3.42Å; R37-C40 PolarHBondContact O-N 2.8Å; R37-C40 VanDerWaalsContact O-N 3.07Å; A38-C40 VanDerWaalsContact C-N 3.32Å; C40-H55 PolarHBondContact O-NE2 2.81Å; C40-C171 CarbonylContact O-C 3.51Å; C40-C171 PolarHBondContact O-SG 3.46Å; C40-G172 WeakPolarHBondContact O-CA 3.27Å; C40-G172 PolarHBondContact O-N 3.06Å
41T98.3Very high98Very high28 Ų2849.1 Ų49.117%0.17225%0.248CC..Hα-helixtrans-87-23.4-177.562.10000113.7R37 A38 E43 Q173R37-T41 PolarHBondContact O-N 3.12Å; A38-T41 PolarHBondContact O-N 3.18Å; A38-T41 PolarHBondContact O-OG1 3.29Å; T41-E43 PolarHBondContact O-N 2.97Å; T41-E43 VanDerWaalsContact OG1-CG 3.29Å; T41-E43 WeakPolarHBondContact OG1-CG 3.26Å; T41-E43 PolarHBondContact OG1-N 3.21Å; T41-E43 PolarHBondContact OG1-OE2 3.23Å; T41-Q173 HydrophobicContact CG2-CB 3.83Å
42G98Very high97.9Very high18 Ų1849.6 Ų49.619%0.18625%0.247CC..THydrogen-bonded Turntrans72.89.2-175.200000114.3A38 K44 G45 L54A38-G42 PolarHBondContact O-N 2.66Å; G42-K44 PolarHBondContact O-N 2.91Å; G42-G45 PolarHBondContact O-N 2.87Å; G42-L54 WeakPolarHBondContact CA-O 3.35Å
43E98.2Very high97.9Very high102 Ų10252.9 Ų52.948%0.47727%0.269SS..THydrogen-bonded Turntrans-69.5-18.1-16970.8-173.4-138.300114.3R37 A38 T41 G45R37-E43 IonicContact CZ-OE1 3.34Å; R37-E43 IonicContact CZ-OE2 3.01Å; R37-E43 IonicContact NH1-OE1 3.85Å; R37-E43 IonicContact NH1-OE2 2.81Å; R37-E43 PolarHBondContact NH1-OE2 3.45Å; R37-E43 VanDerWaalsContact NH2-CD 3.33Å; R37-E43 IonicContact NH2-OE1 2.78Å; R37-E43 PolarHBondContact NH2-OE1 3Å; R37-E43 IonicContact NH2-OE2 3.55Å; R37-E43 PolarHBondContact NH2-OE2 3.41Å; A38-E43 HydrophobicContact CB-CG 4.45Å; T41-E43 PolarHBondContact O-N 2.97Å; T41-E43 VanDerWaalsContact OG1-CG 3.29Å; T41-E43 WeakPolarHBondContact OG1-CG 3.26Å; T41-E43 PolarHBondContact OG1-N 3.21Å; T41-E43 PolarHBondContact OG1-OE2 3.23Å; E43-G45 VanDerWaalsContact C-N 3.28Å; E43-G45 PolarHBondContact O-N 2.95Å
44K97.8Very high97.9Very high94 Ų9453.2 Ų53.241%0.40927%0.27SS..THydrogen-bonded Turntrans-86.26.8-176-57.9-68.8-178.4179.90113.5E34 A38 G42 L54 I86E34-K44 WeakPolarHBondContact OE1-CE 3.32Å; E34-K44 IonicContact OE1-NZ 3.29Å; E34-K44 PolarHBondContact OE1-NZ 3.33Å; A38-K44 HydrophobicContact CB-CG 3.72Å; G42-K44 PolarHBondContact O-N 2.91Å; K44-L54 HydrophobicContact CB-CD1 3.95Å; K44-I86 HydrophobicContact CB-CB 4.48Å; K44-I86 HydrophobicContact CB-CG2 4.36Å; K44-I86 HydrophobicContact CG-CB 4.17Å; K44-I86 HydrophobicContact CG-CG2 4.07Å
45G97.3Very high97.9Very high38 Ų3853.3 Ų53.339%0.39227%0.27SS..  trans75.1-126.1173.500000113G42 E43 P53 L54G42-G45 PolarHBondContact O-N 2.87Å; E43-G45 VanDerWaalsContact C-N 3.28Å; E43-G45 PolarHBondContact O-N 2.95Å; G45-P53 CarbonylContact O-C 3.6Å; G45-P53 WeakPolarHBondContact O-CA 3.48Å; G45-L54 PolarHBondContact O-N 2.79Å
46R98.2Very high97.9Very high172 Ų17253.3 Ų53.365%0.64927%0.27SS*.BIsolated β-bridgetrans-108.8143.3-174.6-55.2-177.683.7111.6-0.1111G51 K52R46-G51 VanDerWaalsContact CZ-O 3.29Å; R46-G51 PolarHBondContact NE-O 3.29Å; R46-G51 PolarHBondContact NH2-O 3.04Å; R46-K52 CarbonylContact C-O 3.21Å; R46-K52 WeakPolarHBondContact CA-O 3.48Å
47G97.6Very high97.9Very high5 Ų558.3 Ų58.35%0.05229%0.292CS..  trans-64.6142.4177.500000111.5G51 K52 E84G47-G51 WeakPolarHBondContact O-CA 3.31Å; G47-G51 PolarHBondContact O-N 2.81Å; G47-K52 PolarHBondContact N-O 3.25Å; G47-E84 VanDerWaalsContact CA-OE2 3.32Å; G47-E84 WeakPolarHBondContact CA-OE2 3.48Å
48R96.4Very high97.9Very high216 Ų21660 Ų6082%0.81532%0.315SS*.THydrogen-bonded Turntrans-69.6-35.6-175.4-66.3-179.1178.8-174.6-1111.5E84R48-E84 PolarHBondContact N-OE1 3.49Å
49I96Very high97.8Very high132 Ų13260.5 Ų60.568%0.67732%0.318SS*.THydrogen-bonded Turntrans-93.5-46.2-177.3-55.6-173.5000110.8E84 G89I49-E84 PolarHBondContact N-OE1 2.91Å; I49-E84 PolarHBondContact N-OE2 2.81Å; I49-G89 VanDerWaalsContact CD1-CA 3.4Å
50S96.1Very high97.8Very high42 Ų4261.4 Ų61.429%0.29432%0.324SS..THydrogen-bonded Turntrans-81.6-23.2-173.963.40000114K52 E84S50-K52 PolarHBondContact O-N 2.68Å; S50-K52 VanDerWaalsContact O-N 3.09Å; S50-K52 PolarHBondContact OG-N 3.07Å; S50-E84 VanDerWaalsContact CB-OE2 3.23Å; S50-E84 WeakPolarHBondContact CB-OE2 3.29Å; S50-E84 PolarHBondContact N-OE2 2.88Å; S50-E84 PolarHBondContact OG-OE2 3.01Å
51G97Very high97.8Very high36 Ų3661.5 Ų61.537%0.37132%0.324SS..  trans63.57.7-17200000114.2R46 G47R46-G51 VanDerWaalsContact CZ-O 3.29Å; R46-G51 PolarHBondContact NE-O 3.29Å; R46-G51 PolarHBondContact NH2-O 3.04Å; G47-G51 WeakPolarHBondContact O-CA 3.31Å; G47-G51 PolarHBondContact O-N 2.81Å
52K97.4Very high97.8Very high94 Ų9460.6 Ų60.641%0.40932%0.318SS..SBendtrans-96.6155.3179.6-69.4-170.4173.3-160.30110.8R46 G47 S50 L54 F75 T76R46-K52 CarbonylContact C-O 3.21Å; R46-K52 WeakPolarHBondContact CA-O 3.48Å; G47-K52 PolarHBondContact N-O 3.25Å; S50-K52 PolarHBondContact O-N 2.68Å; S50-K52 VanDerWaalsContact O-N 3.09Å; S50-K52 PolarHBondContact OG-N 3.07Å; K52-L54 PolarHBondContact O-N 2.96Å; K52-F75 HydrophobicContact CB-CD2 4.44Å; K52-F75 HydrophobicContact CB-CE2 4.35Å; K52-T76 HydrophobicContact CB-CG2 4.42Å; K52-T76 HydrophobicContact CD-CG2 4.15Å; K52-T76 PolarHBondContact NZ-O 3.37Å
53P98.3Very high97.8Very high70 Ų7061 Ų6146%0.45531%0.314SS..BIsolated β-bridgetrans-55.2131.4175-24.634.8000111.6G45 H55 F75G45-P53 CarbonylContact O-C 3.6Å; G45-P53 WeakPolarHBondContact O-CA 3.48Å; P53-H55 HydrophobicContact CB-CB 4.33Å; P53-H55 PolarHBondContact O-N 2.92Å; P53-F75 VanDerWaalsContact O-CD2 3.27Å; P53-F75 WeakPolarHBondContact O-CD2 3.35Å; P53-F75 VanDerWaalsContact O-CE2 3.32Å; P53-F75 WeakPolarHBondContact O-CE2 3.43Å
54L98.6Very high97.8Very high7 Ų756.2 Ų56.24%0.03729%0.292CS..SBendtrans-75.969.1172.4-73.6166.6000109.1L39 G42 K44 G45 K52 F75 E84L39-L54 HydrophobicContact CD2-CB 3.92Å; L39-L54 HydrophobicContact CD2-CD2 4.07Å; G42-L54 WeakPolarHBondContact CA-O 3.35Å; K44-L54 HydrophobicContact CB-CD1 3.95Å; G45-L54 PolarHBondContact O-N 2.79Å; K52-L54 PolarHBondContact O-N 2.96Å; L54-F75 HydrophobicContact CD2-CZ 3.91Å; L54-E84 HydrophobicContact CD2-CB 4.44Å
55H98.7Very high97.8Very high49 Ų4952.5 Ų52.523%0.22728%0.276CS..  trans-150.5133.6-171.3-163.3178.1000111.6L39 C40 P53 K57 F75L39-H55 CarbonylContact O-C 3.6Å; L39-H55 WeakPolarHBondContact O-CA 3.44Å; L39-H55 PolarHBondContact O-CD2 2.83Å; C40-H55 PolarHBondContact O-NE2 2.81Å; P53-H55 HydrophobicContact CB-CB 4.33Å; P53-H55 PolarHBondContact O-N 2.92Å; H55-K57 PolarHBondContact CD2-N 2.83Å; H55-K57 WeakPolarHBondContact NE2-CB 3.48Å; H55-F75 WeakPolarHBondContact O-CB 3.45Å
56Y98.8Very high97.7Very high0 Ų055.8 Ų55.80%028%0.28CS..  trans-75.5-18.9176.3-66.7-44.6000114.6M8 F36 L39 G58 S59 S118 F120M8-Y56 HydrophobicContact CE-CD2 3.61Å; M8-Y56 HydrophobicContact CE-CE2 4.05Å; M8-Y56 HydrophobicContact CE-CG 4.23Å; F36-Y56 AromaticContact CD2-CE2 3.75Å; F36-Y56 HydrophobicContact CD2-CE2 3.75Å; F36-Y56 WeakPolarHBondContact CD2-OH 3.44Å; F36-Y56 AromaticContact CE2-CE2 3.78Å; F36-Y56 HydrophobicContact CE2-CE2 3.78Å; F36-Y56 HydrophobicContact CG-CE2 4.27Å; F36-Y56 HydrophobicContact CZ-CE2 4.32Å; L39-Y56 HydrophobicContact CB-CD1 4.33Å; L39-Y56 HydrophobicContact CB-CD2 3.76Å; L39-Y56 HydrophobicContact CB-CE1 3.96Å; L39-Y56 HydrophobicContact CB-CE2 3.35Å; L39-Y56 HydrophobicContact CB-CG 4.24Å; L39-Y56 VanDerWaalsContact CB-CZ 3.45Å; L39-Y56 HydrophobicContact CD1-CE1 4.04Å; L39-Y56 HydrophobicContact CD1-CE2 4.37Å; L39-Y56 VanDerWaalsContact CD1-OH 3.24Å; L39-Y56 WeakPolarHBondContact CD1-OH 3.4Å; L39-Y56 HydrophobicContact CG-CE1 4.49Å; L39-Y56 HydrophobicContact CG-CE2 4.48Å; L39-Y56 WeakPolarHBondContact O-CD2 3.39Å; L39-Y56 PolarHBondContact O-N 2.88Å; Y56-G58 PolarHBondContact O-N 3.22Å; Y56-S59 VanDerWaalsContact O-CB 3.28Å; Y56-S59 WeakPolarHBondContact O-CB 3.23Å; Y56-S59 PolarHBondContact O-N 2.82Å; Y56-S59 PolarHBondContact O-OG 3.38Å; Y56-S118 VanDerWaalsContact CE1-O 3.25Å; Y56-S118 WeakPolarHBondContact CE1-O 3.47Å; Y56-S118 PolarHBondContact OH-O 2.79Å; Y56-F120 HydrophobicContact CD1-CE1 4.46Å; Y56-F120 HydrophobicContact CE1-CD1 4.29Å; Y56-F120 HydrophobicContact CE1-CE1 4.13Å; Y56-F120 HydrophobicContact CE2-CE1 4.31Å
57K98.5Very high97.6Very high105 Ų10552.2 Ų52.246%0.45727%0.273SS..THydrogen-bonded Turntrans-57.1125.3179.7-171.2177.6-176.5-177.40110.7H55 S59 V169 C171H55-K57 PolarHBondContact CD2-N 2.83Å; H55-K57 WeakPolarHBondContact NE2-CB 3.48Å; K57-S59 VanDerWaalsContact C-N 3.3Å; K57-V169 WeakPolarHBondContact CE-O 3.45Å; K57-V169 WeakPolarHBondContact CG-O 3.32Å; K57-C171 PolarHBondContact N-SG 2.9Å; K57-C171 VanDerWaalsContact N-SG 3.39Å
58G97.9Very high97.6Very high53 Ų5352.2 Ų52.255%0.54627%0.272SS..THydrogen-bonded Turntrans83.2-5.6-17600000115Y56 I168Y56-G58 PolarHBondContact O-N 3.22Å; G58-I168 PolarHBondContact N-O 3.08Å
59S98.4Very high97.6Very high9 Ų942.1 Ų42.16%0.06323%0.234CC..  trans-78.4165.3171.975.10000111.6Y56 K57 I168Y56-S59 VanDerWaalsContact O-CB 3.28Å; Y56-S59 WeakPolarHBondContact O-CB 3.23Å; Y56-S59 PolarHBondContact O-N 2.82Å; Y56-S59 PolarHBondContact O-OG 3.38Å; K57-S59 VanDerWaalsContact C-N 3.3Å; S59-I168 PolarHBondContact O-N 3.02Å
60T98.4Very high97.7Very high19 Ų1935.9 Ų35.912%0.11720%0.202CC..BIsolated β-bridgetrans-120.4157.7-172.566.50000113.7H62 G72 V166 V167T60-H62 PolarHBondContact O-N 2.91Å; T60-G72 WeakPolarHBondContact O-CA 3.19Å; T60-V166 CarbonylContact C-O 3.54Å; T60-V166 WeakPolarHBondContact CA-O 3.21Å; T60-V166 VanDerWaalsContact CB-O 3.24Å; T60-V166 WeakPolarHBondContact CB-O 3.44Å; T60-V167 HydrophobicContact CG2-CG2 4.09Å
61F98.5Very high97.9Very high3 Ų334.5 Ų34.51%0.01319%0.191CC..  trans-79.294.1160.4-72.3-90.8000108.5I10 I70 Q71 F120 I122 I150 V166 I168I10-F61 HydrophobicContact CD1-CE2 3.7Å; F61-I70 HydrophobicContact CD1-CB 4.17Å; F61-I70 HydrophobicContact CD1-CD1 4.05Å; F61-I70 HydrophobicContact CD1-CG1 4.12Å; F61-I70 HydrophobicContact CE1-CD1 3.83Å; F61-I70 HydrophobicContact CE1-CG1 4.04Å; F61-I70 HydrophobicContact CZ-CD1 4.42Å; F61-Q71 CarbonylContact C-O 3.52Å; F61-Q71 VanDerWaalsContact CA-O 3.3Å; F61-Q71 WeakPolarHBondContact CA-O 3.15Å; F61-F120 AromaticContact CE1-CE2 3.93Å; F61-F120 HydrophobicContact CE1-CE2 3.93Å; F61-F120 HydrophobicContact CE1-CZ 4.17Å; F61-F120 HydrophobicContact CZ-CE2 4.13Å; F61-F120 HydrophobicContact CZ-CZ 4.09Å; F61-I122 HydrophobicContact CE1-CD1 4.38Å; F61-I150 HydrophobicContact CB-CG2 4.29Å; F61-I150 HydrophobicContact CD2-CD1 4.39Å; F61-I150 HydrophobicContact CE2-CD1 4.34Å; F61-I150 HydrophobicContact CG-CG2 4.39Å; F61-V166 HydrophobicContact CB-CB 4.14Å; F61-V166 HydrophobicContact CB-CG1 4.02Å; F61-V166 HydrophobicContact CD2-CG1 3.84Å; F61-V166 HydrophobicContact CG-CG1 4.29Å; F61-V166 PolarHBondContact N-O 3.18Å; F61-I168 HydrophobicContact CD2-CG1 4.47Å; F61-I168 HydrophobicContact CE2-CD1 4.22Å; F61-I168 HydrophobicContact CE2-CG1 3.92Å
62H97.9Very high97.9Very high9 Ų932.8 Ų32.84%0.04217%0.173CC..  trans-87.8-7.3-169.758.6-88.7000113.5T60 Q71 G78 G80 Q119 R161T60-H62 PolarHBondContact O-N 2.91Å; H62-Q71 PolarHBondContact N-O 3.43Å; H62-Q71 VanDerWaalsContact N-O 3.1Å; H62-G78 VanDerWaalsContact CB-O 3.25Å; H62-G78 WeakPolarHBondContact CB-O 3.32Å; H62-G80 PolarHBondContact CD2-N 2.95Å; H62-G80 VanDerWaalsContact CD2-N 3.34Å; H62-G80 WeakPolarHBondContact NE2-CA 3.31Å; H62-G80 PolarHBondContact NE2-N 3.38Å; H62-Q119 PolarHBondContact NE2-OE1 3.28Å; H62-R161 WeakPolarHBondContact O-CA 3.48Å; H62-R161 WeakPolarHBondContact O-CG 3.19Å
63R98.2Very high98Very high27 Ų2728.3 Ų28.310%0.10215%0.154CC..EExtended strand (participates in β ladder)trans-146.5131.7178.6-171.9-163.2-172.4179.19.5110.5M69 Q71 N160 P230R63-M69 HydrophobicContact CG-CE 4.08Å; R63-Q71 HydrophobicContact CB-CB 4.16Å; R63-Q71 PolarHBondContact N-O 3.34Å; R63-Q71 PolarHBondContact O-N 2.82Å; R63-N160 CarbonylContact C-O 3.54Å; R63-N160 WeakPolarHBondContact CA-O 3.43Å; R63-N160 HydrophobicContact CG-CB 3.82Å; R63-P230 VanDerWaalsContact NH2-CB 3.29Å; R63-P230 PolarHBondContact NH2-O 3.09Å
64V98.1Very high98Very high1 Ų125 Ų251%0.00613%0.132CC..EExtended strand (participates in β ladder)trans-136.9128.1-179.7168.90000108.6I70 I150 E151 V155 N160 P162V64-I70 HydrophobicContact CB-CG2 4.48Å; V64-I70 HydrophobicContact CG1-CG2 4.12Å; V64-I70 HydrophobicContact CG2-CB 4.27Å; V64-I70 HydrophobicContact CG2-CG2 3.96Å; V64-I150 HydrophobicContact CG2-CG2 4.02Å; V64-E151 WeakPolarHBondContact CG1-O 3.33Å; V64-V155 HydrophobicContact CB-CG1 3.93Å; V64-V155 HydrophobicContact CG1-CG1 4.23Å; V64-N160 PolarHBondContact N-O 2.95Å; V64-P162 HydrophobicContact CB-CG 4.08Å; V64-P162 HydrophobicContact CG2-CG 3.55Å
65I97Very high98Very high15 Ų1526.1 Ų26.18%0.07714%0.137CC..EExtended strand (participates in β ladder)trans-124.5117.1174.5-60.6176.1000107.9F68 M69 N160 P227 P230I65-F68 HydrophobicContact CB-CB 4.17Å; I65-F68 HydrophobicContact CB-CD1 4.06Å; I65-F68 HydrophobicContact CD1-CD1 4.05Å; I65-F68 HydrophobicContact CD1-CE1 4.46Å; I65-F68 HydrophobicContact CG2-CB 3.84Å; I65-F68 HydrophobicContact CG2-CD1 4.02Å; I65-F68 HydrophobicContact CG2-CG 4.45Å; I65-F68 PolarHBondContact O-N 2.83Å; I65-F68 VanDerWaalsContact O-N 3.17Å; I65-M69 HydrophobicContact CB-CE 3.82Å; I65-M69 HydrophobicContact CD1-CE 3.49Å; I65-M69 VanDerWaalsContact CD1-CE 3.49Å; I65-M69 HydrophobicContact CG1-CE 3.45Å; I65-M69 VanDerWaalsContact CG1-CE 3.45Å; I65-M69 PolarHBondContact N-O 3.34Å; I65-M69 PolarHBondContact O-N 3.22Å; I65-M69 VanDerWaalsContact O-N 3.08Å; I65-N160 HydrophobicContact CG1-CB 4.13Å; I65-P227 HydrophobicContact CG2-CG 4.11Å; I65-P230 HydrophobicContact CD1-CG 3.79Å
66K96Very high97.9Very high108 Ų10824.6 Ų24.647%0.4713%0.131SC..THydrogen-bonded Turntrans-60.9140.1-179.8-67.1-171.9174.1-163.20111.4F68 E151 S152 Q153K66-F68 PolarHBondContact O-N 3.34Å; K66-E151 WeakPolarHBondContact CG-O 3.42Å; K66-S152 WeakPolarHBondContact CE-O 2.99Å; K66-S152 PolarHBondContact NZ-O 3.1Å; K66-Q153 WeakPolarHBondContact CE-O 3.44Å
67N95.3Very high97.8Very high96 Ų9630.9 Ų30.951%0.51316%0.159SC..THydrogen-bonded Turntrans57.428.5-172.8-59.5-54.7000113.9R125 E151N67-R125 HydrophobicContact CB-CG 4.21Å; N67-R125 WeakPolarHBondContact O-CG 3.4Å; N67-R125 PolarHBondContact OD1-NH2 2.99Å; N67-E151 VanDerWaalsContact CA-OE1 3.27Å; N67-E151 WeakPolarHBondContact CA-OE1 3.33Å; N67-E151 PolarHBondContact N-OE1 3.36Å
68F97.5Very high97.7Very high6 Ų626.7 Ų26.73%0.02615%0.145CC..THydrogen-bonded Turntrans-144.1-69.6179.2-178.9-140.6000113.1I65 K66 T123 T124 A127 H129 L130 E151 P227 V229I65-F68 HydrophobicContact CB-CB 4.17Å; I65-F68 HydrophobicContact CB-CD1 4.06Å; I65-F68 HydrophobicContact CD1-CD1 4.05Å; I65-F68 HydrophobicContact CD1-CE1 4.46Å; I65-F68 HydrophobicContact CG2-CB 3.84Å; I65-F68 HydrophobicContact CG2-CD1 4.02Å; I65-F68 HydrophobicContact CG2-CG 4.45Å; I65-F68 PolarHBondContact O-N 2.83Å; I65-F68 VanDerWaalsContact O-N 3.17Å; K66-F68 PolarHBondContact O-N 3.34Å; F68-T123 CarbonylContact O-C 3.56Å; F68-T123 WeakPolarHBondContact O-CA 3.4Å; F68-T124 PolarHBondContact N-OG1 2.79Å; F68-T124 VanDerWaalsContact N-OG1 3.13Å; F68-T124 PolarHBondContact O-N 2.99Å; F68-T124 PolarHBondContact O-OG1 3Å; F68-A127 HydrophobicContact CD2-CB 4.33Å; F68-A127 HydrophobicContact CE2-CB 3.74Å; F68-H129 AromaticContact CE2-CE1 3.44Å; F68-H129 VanDerWaalsContact CE2-CE1 3.44Å; F68-H129 WeakPolarHBondContact CE2-CE1 3.34Å; F68-H129 AromaticContact CE2-NE2 3.46Å; F68-H129 WeakPolarHBondContact CE2-NE2 3.33Å; F68-H129 AromaticContact CZ-CE1 3.92Å; F68-H129 AromaticContact CZ-NE2 3.43Å; F68-H129 WeakPolarHBondContact CZ-NE2 3.4Å; F68-L130 HydrophobicContact CE2-CD1 4.02Å; F68-L130 HydrophobicContact CZ-CD1 3.95Å; F68-L130 HydrophobicContact CZ-CD2 4.43Å; F68-L130 HydrophobicContact CZ-CG 4.5Å; F68-E151 PolarHBondContact N-OE1 3.27Å; F68-P227 HydrophobicContact CB-CG 4.34Å; F68-V229 HydrophobicContact CE1-CG2 4.02Å; F68-V229 HydrophobicContact CZ-CG2 3.8Å
69M97.6Very high97.5Very high4 Ų428 Ų282%0.0214%0.143CC..EExtended strand (participates in β ladder)trans-165.4161.4-173.364.985.4-140.800114R63 I65 Q71 F121 I122R63-M69 HydrophobicContact CG-CE 4.08Å; I65-M69 HydrophobicContact CB-CE 3.82Å; I65-M69 HydrophobicContact CD1-CE 3.49Å; I65-M69 VanDerWaalsContact CD1-CE 3.49Å; I65-M69 HydrophobicContact CG1-CE 3.45Å; I65-M69 VanDerWaalsContact CG1-CE 3.45Å; I65-M69 PolarHBondContact N-O 3.34Å; I65-M69 PolarHBondContact O-N 3.22Å; I65-M69 VanDerWaalsContact O-N 3.08Å; M69-Q71 HydrophobicContact CE-CB 4.38Å; M69-Q71 HydrophobicContact SD-CB 3.68Å; M69-F121 HydrophobicContact CB-CB 4.4Å; M69-F121 HydrophobicContact CB-CD2 4.15Å; M69-F121 HydrophobicContact SD-CB 3.98Å; M69-I122 CarbonylContact C-O 3.52Å; M69-I122 WeakPolarHBondContact CA-O 3.14Å; M69-I122 WeakPolarHBondContact CB-O 3.45Å
70I98.5Very high97.3Very high0 Ų028 Ų280%014%0.144CC..EExtended strand (participates in β ladder)trans-116.7133.9165.464.4171.9000109.4F61 V64 F121 I122 V147 I150 E151F61-I70 HydrophobicContact CD1-CB 4.17Å; F61-I70 HydrophobicContact CD1-CD1 4.05Å; F61-I70 HydrophobicContact CD1-CG1 4.12Å; F61-I70 HydrophobicContact CE1-CD1 3.83Å; F61-I70 HydrophobicContact CE1-CG1 4.04Å; F61-I70 HydrophobicContact CZ-CD1 4.42Å; V64-I70 HydrophobicContact CB-CG2 4.48Å; V64-I70 HydrophobicContact CG1-CG2 4.12Å; V64-I70 HydrophobicContact CG2-CB 4.27Å; V64-I70 HydrophobicContact CG2-CG2 3.96Å; I70-F121 CarbonylContact O-C 3.57Å; I70-F121 WeakPolarHBondContact O-CA 3.43Å; I70-F121 WeakPolarHBondContact O-CB 3.41Å; I70-I122 HydrophobicContact CD1-CD1 4.1Å; I70-I122 HydrophobicContact CG1-CB 3.92Å; I70-I122 HydrophobicContact CG1-CD1 4.27Å; I70-I122 PolarHBondContact N-O 2.87Å; I70-I122 PolarHBondContact O-N 2.82Å; I70-V147 HydrophobicContact CD1-CB 4.32Å; I70-V147 HydrophobicContact CD1-CG1 3.79Å; I70-V147 HydrophobicContact CD1-CG2 4.33Å; I70-V147 HydrophobicContact CG1-CG1 4.29Å; I70-I150 HydrophobicContact CB-CG2 4.19Å; I70-I150 HydrophobicContact CD1-CB 4.02Å; I70-I150 HydrophobicContact CD1-CD1 3.9Å; I70-I150 HydrophobicContact CD1-CG2 3.91Å; I70-I150 HydrophobicContact CG2-CB 4.4Å; I70-I150 HydrophobicContact CG2-CG2 3.91Å; I70-E151 HydrophobicContact CG2-CB 3.94Å
71Q98.6Very high97.1Very high13 Ų1329.7 Ų29.76%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-122.5133.3-174.3173.3-178.4-7.400111.4F61 H62 R63 M69 F120 F121F61-Q71 CarbonylContact C-O 3.52Å; F61-Q71 VanDerWaalsContact CA-O 3.3Å; F61-Q71 WeakPolarHBondContact CA-O 3.15Å; H62-Q71 PolarHBondContact N-O 3.43Å; H62-Q71 VanDerWaalsContact N-O 3.1Å; R63-Q71 HydrophobicContact CB-CB 4.16Å; R63-Q71 PolarHBondContact N-O 3.34Å; R63-Q71 PolarHBondContact O-N 2.82Å; M69-Q71 HydrophobicContact CE-CB 4.38Å; M69-Q71 HydrophobicContact SD-CB 3.68Å; Q71-F120 WeakPolarHBondContact CA-O 3.05Å; Q71-F121 HydrophobicContact CB-CB 4.05Å
72G98.6Very high97Very high0 Ų030 Ų300%016%0.159CC..EExtended strand (participates in β ladder)trans-142.8-165.1-177.600000112.7T60 Q119 F120T60-G72 WeakPolarHBondContact O-CA 3.19Å; G72-Q119 WeakPolarHBondContact O-CA 3.21Å; G72-F120 PolarHBondContact N-O 2.99Å; G72-F120 PolarHBondContact O-N 3.31Å; G72-F120 VanDerWaalsContact O-N 3.15Å
73G98.2Very high97Very high0 Ų030.9 Ų30.90%017%0.169CC..  trans89.32.9171.500000116.5F75 S118G73-F75 PolarHBondContact O-N 2.72Å; G73-F75 VanDerWaalsContact O-N 3.12Å; G73-S118 WeakPolarHBondContact CA-O 3.25Å; G73-S118 WeakPolarHBondContact O-CB 3.25Å; G73-S118 PolarHBondContact O-OG 2.84Å
74D98.4Very high97Very high1 Ų129.8 Ų29.81%0.00517%0.166CC..  trans-83.378.4168.9-176.50.6000110.8T76 K77 G78 T79 G80 T81 G82 G83 Q119D74-T76 PolarHBondContact O-N 3.27Å; D74-T76 PolarHBondContact OD1-N 2.82Å; D74-T76 PolarHBondContact OD1-OG1 3.26Å; D74-K77 PolarHBondContact OD1-N 3.19Å; D74-G78 VanDerWaalsContact O-CA 3.23Å; D74-G78 WeakPolarHBondContact O-CA 3.38Å; D74-G78 PolarHBondContact O-N 2.85Å; D74-G78 PolarHBondContact OD1-N 3.3Å; D74-G78 PolarHBondContact OD2-N 2.69Å; D74-T79 PolarHBondContact OD2-N 3.15Å; D74-G80 PolarHBondContact OD2-N 3.1Å; D74-T81 PolarHBondContact OD2-N 3.44Å; D74-G82 VanDerWaalsContact OD1-C 3.23Å; D74-G82 WeakPolarHBondContact OD1-CA 3.41Å; D74-G82 PolarHBondContact OD2-N 2.94Å; D74-G83 PolarHBondContact OD1-N 2.92Å; D74-Q119 HydrophobicContact CB-CG 4.09Å
75F98.1Very high97Very high30 Ų3029.8 Ų29.813%0.13217%0.165CC..THydrogen-bonded Turntrans-72.4-9177.962.7-100.7000113.7L39 K52 P53 L54 H55 G73 E84 S118L39-F75 HydrophobicContact CD2-CD1 4.44Å; L39-F75 HydrophobicContact CD2-CE1 3.79Å; L39-F75 HydrophobicContact CD2-CZ 4.44Å; K52-F75 HydrophobicContact CB-CD2 4.44Å; K52-F75 HydrophobicContact CB-CE2 4.35Å; P53-F75 VanDerWaalsContact O-CD2 3.27Å; P53-F75 WeakPolarHBondContact O-CD2 3.35Å; P53-F75 VanDerWaalsContact O-CE2 3.32Å; P53-F75 WeakPolarHBondContact O-CE2 3.43Å; L54-F75 HydrophobicContact CD2-CZ 3.91Å; H55-F75 WeakPolarHBondContact O-CB 3.45Å; G73-F75 PolarHBondContact O-N 2.72Å; G73-F75 VanDerWaalsContact O-N 3.12Å; F75-E84 WeakPolarHBondContact CE1-O 3.43Å; F75-E84 HydrophobicContact CZ-CB 4Å; F75-E84 WeakPolarHBondContact CZ-O 3.4Å; F75-S118 VanDerWaalsContact CE1-CB 3.41Å; F75-S118 VanDerWaalsContact CE1-OG 3.26Å; F75-S118 WeakPolarHBondContact CE1-OG 3.07Å
76T97.4Very high97.1Very high18 Ų1830.1 Ų30.111%0.1117%0.167CC..THydrogen-bonded Turntrans-95.9-41.4-175.965.70000113.3K52 D74 G82 G83K52-T76 HydrophobicContact CB-CG2 4.42Å; K52-T76 HydrophobicContact CD-CG2 4.15Å; K52-T76 PolarHBondContact NZ-O 3.37Å; D74-T76 PolarHBondContact O-N 3.27Å; D74-T76 PolarHBondContact OD1-N 2.82Å; D74-T76 PolarHBondContact OD1-OG1 3.26Å; T76-G82 WeakPolarHBondContact OG1-CA 3.42Å; T76-G83 PolarHBondContact OG1-N 3.23Å
77K96.7Very high97.2Very high132 Ų13229.1 Ų29.157%0.57416%0.161SC*.THydrogen-bonded Turntrans-126.4-14.9-175.7-65.1-179.1-177.9173.30112.4D74 T79 T81D74-K77 PolarHBondContact OD1-N 3.19Å; K77-T79 WeakPolarHBondContact O-CG2 3.22Å; K77-T79 PolarHBondContact O-N 3.31Å; K77-T79 VanDerWaalsContact O-N 3.14Å; K77-T81 WeakPolarHBondContact CD-OG1 3.47Å
78G96.2Very high97.2Very high16 Ų1625.6 Ų25.617%0.16515%0.147CC..SBendtrans60.121.3179.300000114.7H62 D74 R161H62-G78 VanDerWaalsContact CB-O 3.25Å; H62-G78 WeakPolarHBondContact CB-O 3.32Å; D74-G78 VanDerWaalsContact O-CA 3.23Å; D74-G78 WeakPolarHBondContact O-CA 3.38Å; D74-G78 PolarHBondContact O-N 2.85Å; D74-G78 PolarHBondContact OD1-N 3.3Å; D74-G78 PolarHBondContact OD2-N 2.69Å; G78-R161 PolarHBondContact O-NH1 2.86Å
79T94.9Very high97.2Very high82 Ų8226 Ų2650%0.50315%0.154SC..SBendtrans-130.31.3-17250.80000113.5D74 K77 T81D74-T79 PolarHBondContact OD2-N 3.15Å; K77-T79 WeakPolarHBondContact O-CG2 3.22Å; K77-T79 PolarHBondContact O-N 3.31Å; K77-T79 VanDerWaalsContact O-N 3.14Å; T79-T81 VanDerWaalsContact C-N 3.27Å; T79-T81 PolarHBondContact OG1-OG1 3.5Å
80G93.6Very high97.2Very high8 Ų829.8 Ų29.88%0.08218%0.177CC..SBendtrans86.1-4.9-175.400000113.5H62 D74 R111 Q119H62-G80 PolarHBondContact CD2-N 2.95Å; H62-G80 VanDerWaalsContact CD2-N 3.34Å; H62-G80 WeakPolarHBondContact NE2-CA 3.31Å; H62-G80 PolarHBondContact NE2-N 3.38Å; D74-G80 PolarHBondContact OD2-N 3.1Å; G80-R111 PolarHBondContact O-NH2 3.13Å; G80-Q119 PolarHBondContact O-NE2 2.96Å
81T95Very high97.2Very high55 Ų5530.6 Ų30.634%0.33718%0.18SC..SBendtrans-94.6-6.6179.265.10000113.4D74 K77 T79 R111D74-T81 PolarHBondContact OD2-N 3.44Å; K77-T81 WeakPolarHBondContact CD-OG1 3.47Å; T79-T81 VanDerWaalsContact C-N 3.27Å; T79-T81 PolarHBondContact OG1-OG1 3.5Å; T81-R111 VanDerWaalsContact CA-NH2 3.29Å; T81-R111 PolarHBondContact O-NH2 3.25Å
82G96.3Very high97.1Very high10 Ų1035.3 Ų35.310%0.10321%0.206CC..  trans-114.6-155.718000000114.2D74 T76 R111 Q119D74-G82 VanDerWaalsContact OD1-C 3.23Å; D74-G82 WeakPolarHBondContact OD1-CA 3.41Å; D74-G82 PolarHBondContact OD2-N 2.94Å; T76-G82 WeakPolarHBondContact OG1-CA 3.42Å; G82-R111 PolarHBondContact O-NH2 3.48Å; G82-Q119 PolarHBondContact O-NE2 3.5Å
83G97.2Very high97.1Very high26 Ų2636.5 Ų36.527%0.26821%0.212SC..  trans99.2152.1-176.600000112.1D74 T76 S118D74-G83 PolarHBondContact OD1-N 2.92Å; T76-G83 PolarHBondContact OG1-N 3.23Å; G83-S118 WeakPolarHBondContact CA-OG 3.26Å
84E98.3Very high97.1Very high5 Ų538.9 Ų38.92%0.02322%0.223CC..  trans-150.3137.5177.6-167.2-175.2167.500108.5G47 R48 I49 S50 L54 F75 G89 S118G47-E84 VanDerWaalsContact CA-OE2 3.32Å; G47-E84 WeakPolarHBondContact CA-OE2 3.48Å; R48-E84 PolarHBondContact N-OE1 3.49Å; I49-E84 PolarHBondContact N-OE1 2.91Å; I49-E84 PolarHBondContact N-OE2 2.81Å; S50-E84 VanDerWaalsContact CB-OE2 3.23Å; S50-E84 WeakPolarHBondContact CB-OE2 3.29Å; S50-E84 PolarHBondContact N-OE2 2.88Å; S50-E84 PolarHBondContact OG-OE2 3.01Å; L54-E84 HydrophobicContact CD2-CB 4.44Å; F75-E84 WeakPolarHBondContact CE1-O 3.43Å; F75-E84 HydrophobicContact CZ-CB 4Å; F75-E84 WeakPolarHBondContact CZ-O 3.4Å; E84-G89 VanDerWaalsContact CG-N 3.28Å; E84-G89 PolarHBondContact OE1-N 3.02Å; E84-S118 PolarHBondContact N-OG 3.43Å; E84-S118 WeakPolarHBondContact O-CB 3.46Å
85S98.6Very high97Very high0 Ų041 Ų410%024%0.235CC..  trans-73.6164.2173.5730000111.7N35 Y87 G88 G89N35-S85 WeakPolarHBondContact OD1-CA 3.33Å; N35-S85 WeakPolarHBondContact OD1-CB 3.5Å; S85-Y87 PolarHBondContact O-N 3.48Å; S85-Y87 PolarHBondContact OG-N 3.32Å; S85-G88 PolarHBondContact O-N 2.94Å; S85-G89 WeakPolarHBondContact CB-O 3.3Å; S85-G89 PolarHBondContact N-O 3.46Å; S85-G89 PolarHBondContact OG-O 3.3Å
86I98.5Very high97Very high23 Ų2342.7 Ų42.712%0.11824%0.242CC..THydrogen-bonded Turntrans-66.6-14.7173.268.4168.5000113.5E34 N35 A38 L39 K44 G88E34-I86 HydrophobicContact CG-CD1 3.99Å; N35-I86 HydrophobicContact CB-CD1 4.47Å; N35-I86 HydrophobicContact CB-CG1 4.21Å; N35-I86 PolarHBondContact OD1-N 2.92Å; A38-I86 HydrophobicContact CB-CD1 3.91Å; A38-I86 HydrophobicContact CB-CG2 3.86Å; L39-I86 HydrophobicContact CD2-CG2 4.18Å; L39-I86 HydrophobicContact CG-CG2 3.92Å; K44-I86 HydrophobicContact CB-CB 4.48Å; K44-I86 HydrophobicContact CB-CG2 4.36Å; K44-I86 HydrophobicContact CG-CB 4.17Å; K44-I86 HydrophobicContact CG-CG2 4.07Å; I86-G88 VanDerWaalsContact C-N 3.32Å
87Y98.2Very high97Very high87 Ų8750.6 Ų50.634%0.34127%0.27SS..THydrogen-bonded Turntrans-86.5-8.1-178.9-51.6-60.7000112.6I31 N35 S85 F91I31-Y87 HydrophobicContact CG2-CD2 4.35Å; I31-Y87 HydrophobicContact CG2-CE2 3.48Å; I31-Y87 VanDerWaalsContact CG2-CE2 3.48Å; I31-Y87 PolarHBondContact O-OH 2.98Å; N35-Y87 HydrophobicContact CB-CE2 3.83Å; S85-Y87 PolarHBondContact O-N 3.48Å; S85-Y87 PolarHBondContact OG-N 3.32Å; Y87-F91 HydrophobicContact CD2-CB 3.98Å; Y87-F91 HydrophobicContact CD2-CD1 4Å; Y87-F91 AromaticContact CD2-CG 3.96Å; Y87-F91 HydrophobicContact CD2-CG 3.96Å; Y87-F91 HydrophobicContact CE2-CD1 4.39Å; Y87-F91 HydrophobicContact CE2-CG 4.3Å
88G95.7Very high97Very high21 Ų2147 Ų4722%0.21626%0.255CS..SBendtrans92.6120.4-173.500000110.8S85 I86 T90S85-G88 PolarHBondContact O-N 2.94Å; I86-G88 VanDerWaalsContact C-N 3.32Å; G88-T90 PolarHBondContact O-N 2.78Å
89G96.1Very high97.1Very high16 Ų1650.5 Ų50.517%0.16527%0.265CS..SBendtrans62.5-126.3-175.200000112.9I49 E84 S85I49-G89 VanDerWaalsContact CD1-CA 3.4Å; E84-G89 VanDerWaalsContact CG-N 3.28Å; E84-G89 PolarHBondContact OE1-N 3.02Å; S85-G89 WeakPolarHBondContact CB-O 3.3Å; S85-G89 PolarHBondContact N-O 3.46Å; S85-G89 PolarHBondContact OG-O 3.3Å
90T97.6Very high97.2Very high83 Ų8346.6 Ų46.651%0.50924%0.241SC..  trans-108.3164.7179.656.80000112.4G88 N116G88-T90 PolarHBondContact O-N 2.78Å; T90-N116 CarbonylContact C-O 3.5Å; T90-N116 WeakPolarHBondContact CA-O 3.47Å; T90-N116 WeakPolarHBondContact CB-O 3.47Å
91F98.5Very high97.3Very high17 Ų1751 Ų518%0.07526%0.262CS..BIsolated β-bridgetrans-133.1163.5173.368.8-80.7000111.8I31 T32 N35 Y87 M108 N114 N116I31-F91 HydrophobicContact CG2-CD2 4.08Å; I31-F91 HydrophobicContact CG2-CE2 4.39Å; T32-F91 HydrophobicContact CG2-CE2 4.37Å; T32-F91 HydrophobicContact CG2-CZ 4.2Å; N35-F91 HydrophobicContact CB-CE1 4.31Å; N35-F91 HydrophobicContact CB-CZ 4.38Å; N35-F91 WeakPolarHBondContact ND2-CE1 3.48Å; Y87-F91 HydrophobicContact CD2-CB 3.98Å; Y87-F91 HydrophobicContact CD2-CD1 4Å; Y87-F91 AromaticContact CD2-CG 3.96Å; Y87-F91 HydrophobicContact CD2-CG 3.96Å; Y87-F91 HydrophobicContact CE2-CD1 4.39Å; Y87-F91 HydrophobicContact CE2-CG 4.3Å; F91-M108 HydrophobicContact CE1-CE 4.09Å; F91-M108 HydrophobicContact CZ-CE 4.03Å; F91-N114 CarbonylContact O-C 3.58Å; F91-N116 HydrophobicContact CD1-CB 3.71Å; F91-N116 WeakPolarHBondContact CD1-O 3.16Å; F91-N116 HydrophobicContact CD2-CB 4.05Å; F91-N116 HydrophobicContact CE1-CB 3.38Å; F91-N116 WeakPolarHBondContact CE1-O 3.29Å; F91-N116 HydrophobicContact CE2-CB 3.76Å; F91-N116 HydrophobicContact CG-CB 4.03Å; F91-N116 HydrophobicContact CZ-CB 3.41Å; F91-N116 VanDerWaalsContact CZ-CB 3.41Å; F91-N116 PolarHBondContact N-O 3.19Å; F91-N116 WeakPolarHBondContact O-CB 3.39Å; F91-N116 PolarHBondContact O-N 2.93Å; F91-N116 VanDerWaalsContact O-N 3.09Å; F91-N116 PolarHBondContact O-ND2 2.93Å
92D98.2Very high97.3Very high112 Ų11253 Ų5360%0.59927%0.268SS*.  trans-69.7159.7-173.8-63.7-12.9000113.2E94 N114 N116D92-E94 PolarHBondContact O-N 3.47Å; D92-N114 WeakPolarHBondContact CA-OD1 3.46Å; D92-N114 HydrophobicContact CB-CB 4.31Å; D92-N116 PolarHBondContact O-ND2 2.61Å
93D98.3Very high97.4Very high25 Ų2554.8 Ų54.813%0.13428%0.278CS..  trans-71.8108.4171.9-65-49.4000109.7F96 P113 N114 N116 V135D93-F96 HydrophobicContact CB-CE1 4.21Å; D93-F96 HydrophobicContact CB-CE2 4.13Å; D93-F96 HydrophobicContact CB-CZ 3.54Å; D93-P113 WeakPolarHBondContact OD2-CA 3.17Å; D93-N114 PolarHBondContact N-OD1 2.82Å; D93-N114 PolarHBondContact OD2-N 2.86Å; D93-N116 PolarHBondContact N-ND2 2.91Å; D93-N116 PolarHBondContact OD1-ND2 3.14Å; D93-V135 HydrophobicContact CB-CG2 3.95Å
94E97.6Very high97.4Very high49 Ų4955.5 Ų55.523%0.22927%0.274CS..  trans-66.2-48.3-171.1-173.7170.5-16700113.6V29 P30 I31 T32 D92V29-E94 VanDerWaalsContact C-CD 3.45Å; V29-E94 VanDerWaalsContact C-OE1 3.26Å; V29-E94 WeakPolarHBondContact CA-OE1 3.48Å; V29-E94 WeakPolarHBondContact CA-OE2 3.42Å; V29-E94 HydrophobicContact CB-CG 4.42Å; V29-E94 VanDerWaalsContact CB-OE2 3.24Å; V29-E94 WeakPolarHBondContact CB-OE2 3.25Å; V29-E94 HydrophobicContact CG1-CB 4.25Å; V29-E94 HydrophobicContact CG1-CG 4.16Å; P30-E94 WeakPolarHBondContact CD-OE1 3.24Å; P30-E94 WeakPolarHBondContact CG-OE1 3.24Å; P30-E94 VanDerWaalsContact N-OE1 3.07Å; I31-E94 PolarHBondContact N-OE1 3.23Å; I31-E94 PolarHBondContact N-OE2 3.32Å; T32-E94 WeakPolarHBondContact CB-OE2 3.47Å; T32-E94 PolarHBondContact N-OE2 3.13Å; T32-E94 PolarHBondContact OG1-OE2 2.86Å; D92-E94 PolarHBondContact O-N 3.47Å
95N97.3Very high97.4Very high47 Ų4755.4 Ų55.425%0.25127%0.273SS..  trans-170.2170.7165.56280.8000111.1V28 V29 R97V28-N95 PolarHBondContact O-ND2 3.23Å; V29-N95 VanDerWaalsContact CG1-ND2 3.25Å; V29-N95 WeakPolarHBondContact CG1-ND2 3.23Å; N95-R97 VanDerWaalsContact OD1-CB 3.27Å; N95-R97 WeakPolarHBondContact OD1-CB 3.46Å; N95-R97 PolarHBondContact OD1-N 3.31Å
96F97.4Very high97.4Very high64 Ų6455.4 Ų55.428%0.28127%0.273SS..  trans-119.337.2178-55.2-71.8000112.7D93 K99 G132 V135D93-F96 HydrophobicContact CB-CE1 4.21Å; D93-F96 HydrophobicContact CB-CE2 4.13Å; D93-F96 HydrophobicContact CB-CZ 3.54Å; F96-K99 PolarHBondContact O-NZ 3.48Å; F96-G132 WeakPolarHBondContact CE2-O 3.37Å; F96-G132 VanDerWaalsContact CZ-O 3.26Å; F96-G132 WeakPolarHBondContact CZ-O 3.48Å; F96-V135 HydrophobicContact CD1-CG2 4.38Å; F96-V135 HydrophobicContact CE1-CG2 3.96Å
97R96.9Very high97.4Very high185 Ų18554.3 Ų54.370%0.69827%0.268SS*.  trans-66.6-43.5-177.1-177.6176.2179.1177.60.7112.1V28 N95V28-R97 HydrophobicContact CG1-CB 4.23Å; V28-R97 HydrophobicContact CG1-CG 4.5Å; N95-R97 VanDerWaalsContact OD1-CB 3.27Å; N95-R97 WeakPolarHBondContact OD1-CB 3.46Å; N95-R97 PolarHBondContact OD1-N 3.31Å
98F97.3Very high97.4Very high57 Ų5750.2 Ų50.225%0.2525%0.252CS..SBendtrans-83.7148.2173.8-69.7-68.1000110.7F25 V28 V136F25-F98 HydrophobicContact CB-CD2 4.37Å; F25-F98 HydrophobicContact CB-CE2 3.75Å; F25-F98 HydrophobicContact CB-CZ 4.46Å; F25-F98 HydrophobicContact CD2-CD1 4.47Å; F25-F98 AromaticContact CD2-CD2 3.47Å; F25-F98 HydrophobicContact CD2-CD2 3.47Å; F25-F98 VanDerWaalsContact CD2-CD2 3.47Å; F25-F98 HydrophobicContact CD2-CE1 4.48Å; F25-F98 AromaticContact CD2-CE2 3.46Å; F25-F98 HydrophobicContact CD2-CE2 3.46Å; F25-F98 VanDerWaalsContact CD2-CE2 3.46Å; F25-F98 HydrophobicContact CD2-CG 4.01Å; F25-F98 HydrophobicContact CD2-CZ 4.01Å; F25-F98 HydrophobicContact CE2-CD1 4.34Å; F25-F98 HydrophobicContact CE2-CD2 4.08Å; F25-F98 HydrophobicContact CE2-CE1 4.49Å; F25-F98 HydrophobicContact CE2-CE2 4.22Å; F25-F98 HydrophobicContact CE2-CG 4.15Å; F25-F98 HydrophobicContact CE2-CZ 4.43Å; F25-F98 HydrophobicContact CG-CD2 4.21Å; F25-F98 AromaticContact CG-CE2 3.73Å; F25-F98 HydrophobicContact CG-CE2 3.73Å; F25-F98 HydrophobicContact CG-CZ 4.16Å; V28-F98 HydrophobicContact CB-CD2 4.5Å; V28-F98 HydrophobicContact CB-CE2 3.7Å; V28-F98 HydrophobicContact CB-CZ 4.5Å; V28-F98 HydrophobicContact CG1-CD2 4.15Å; V28-F98 HydrophobicContact CG1-CE2 3.72Å; V28-F98 HydrophobicContact CG2-CE2 3.64Å; V28-F98 HydrophobicContact CG2-CZ 3.95Å; F98-V136 HydrophobicContact CB-CB 3.66Å; F98-V136 HydrophobicContact CB-CG1 3.51Å; F98-V136 HydrophobicContact CG-CG1 4.34Å
99K97.8Very high97.6Very high89 Ų8949.8 Ų49.839%0.38725%0.246SC..  trans-120.6156.6-174-57.9-60.6-179.3-167.80109.8F96 L101 D131F96-K99 PolarHBondContact O-NZ 3.48Å; K99-L101 HydrophobicContact CB-CD1 3.92Å; K99-L101 HydrophobicContact CB-CD2 4.41Å; K99-L101 HydrophobicContact CB-CG 3.68Å; K99-L101 PolarHBondContact O-N 3.16Å; K99-L101 VanDerWaalsContact O-N 3.09Å; K99-D131 VanDerWaalsContact CA-OD1 3.3Å; K99-D131 WeakPolarHBondContact CA-OD1 3.38Å; K99-D131 WeakPolarHBondContact CB-OD2 3.07Å; K99-D131 HydrophobicContact CD-CB 3.83Å; K99-D131 WeakPolarHBondContact CD-OD2 3.49Å
100H97.7Very high97.6Very high0 Ų050.6 Ų50.60%025%0.246CC..SBendtrans-87.248.7-179.3-5682000111.2S107 F121 P126 A127 D131 N134 V136H100-S107 WeakPolarHBondContact NE2-CB 3.3Å; H100-S107 PolarHBondContact NE2-OG 3.43Å; H100-F121 AromaticContact NE2-CZ 3.72Å; H100-P126 CarbonylContact O-C 3.38Å; H100-P126 WeakPolarHBondContact O-CA 3.49Å; H100-A127 HydrophobicContact CB-CB 4.01Å; H100-A127 WeakPolarHBondContact CB-O 3.27Å; H100-A127 PolarHBondContact O-N 3.08Å; H100-D131 IonicContact CE1-OD1 2.81Å; H100-D131 IonicContact CG-OD1 3.56Å; H100-D131 PolarHBondContact N-OD1 3.04Å; H100-D131 IonicContact ND1-OD1 2.68Å; H100-D131 PolarHBondContact ND1-OD1 3.25Å; H100-N134 PolarHBondContact CE1-O 2.93Å; H100-V136 WeakPolarHBondContact CE1-CG2 3.25Å; H100-V136 VanDerWaalsContact NE2-CG2 3.32Å; H100-V136 WeakPolarHBondContact NE2-CG2 3.25Å
101L95Very high97.3Very high100 Ų10052.1 Ų52.152%0.52424%0.243SC..  trans-86.8-14-173.2-60.3175.4000113.7K99 P126 P128K99-L101 HydrophobicContact CB-CD1 3.92Å; K99-L101 HydrophobicContact CB-CD2 4.41Å; K99-L101 HydrophobicContact CB-CG 3.68Å; K99-L101 PolarHBondContact O-N 3.16Å; K99-L101 VanDerWaalsContact O-N 3.09Å; L101-P126 WeakPolarHBondContact O-CB 3.35Å; L101-P126 WeakPolarHBondContact O-CG 3.23Å; L101-P128 HydrophobicContact CD2-CB 4.41Å
102E95.3Very high97.1Very high96 Ų9652.7 Ų52.745%0.44925%0.253SS..SBendtrans-122.2154.5179.964-176.4-174.700110.7V105 T123E102-V105 HydrophobicContact CG-CG2 3.48Å; E102-V105 VanDerWaalsContact CG-CG2 3.48Å; E102-V105 VanDerWaalsContact O-CG2 3.24Å; E102-V105 WeakPolarHBondContact O-CG2 3.18Å; E102-T123 PolarHBondContact O-OG1 2.99Å
103P97.4Very high97Very high49 Ų4952.6 Ų52.632%0.31826%0.259SS..THydrogen-bonded Turntrans-66.4163.6167.231.9-37.3000110.5V105 T124P103-V105 VanDerWaalsContact C-N 3.28Å; P103-V105 PolarHBondContact O-N 3.02Å; P103-T124 VanDerWaalsContact CB-O 3.3Å; P103-T124 WeakPolarHBondContact CB-O 3.38Å
104F98.4Very high97Very high41 Ų4154.9 Ų54.918%0.1827%0.271CS..THydrogen-bonded Turntrans63.928176.7-49.2-73.1000115.1T123 R139 V140 F144 V147F104-T123 WeakPolarHBondContact CA-O 3.15Å; F104-T123 PolarHBondContact N-O 2.92Å; F104-T123 PolarHBondContact N-OG1 2.9Å; F104-R139 WeakPolarHBondContact O-CA 3.45Å; F104-V140 HydrophobicContact CB-CB 3.96Å; F104-V140 HydrophobicContact CB-CG2 4.12Å; F104-V140 PolarHBondContact O-N 3.02Å; F104-F144 HydrophobicContact CB-CD1 4.09Å; F104-F144 HydrophobicContact CB-CE1 4.02Å; F104-F144 AromaticContact CD1-CD1 3.82Å; F104-F144 HydrophobicContact CD1-CD1 3.82Å; F104-F144 AromaticContact CD2-CD1 3.58Å; F104-F144 HydrophobicContact CD2-CD1 3.58Å; F104-F144 AromaticContact CD2-CE1 3.97Å; F104-F144 HydrophobicContact CD2-CE1 3.97Å; F104-F144 HydrophobicContact CE1-CB 4.22Å; F104-F144 HydrophobicContact CE1-CD1 4.07Å; F104-F144 HydrophobicContact CE2-CB 4.5Å; F104-F144 AromaticContact CE2-CD1 3.85Å; F104-F144 HydrophobicContact CE2-CD1 3.85Å; F104-F144 AromaticContact CG-CD1 3.55Å; F104-F144 HydrophobicContact CG-CD1 3.55Å; F104-F144 AromaticContact CG-CE1 3.96Å; F104-F144 HydrophobicContact CG-CE1 3.96Å; F104-F144 HydrophobicContact CZ-CB 4.1Å; F104-F144 HydrophobicContact CZ-CD1 4.09Å; F104-V147 HydrophobicContact CD1-CB 4.24Å; F104-V147 HydrophobicContact CD1-CG1 3.92Å; F104-V147 HydrophobicContact CE1-CB 4.04Å; F104-V147 HydrophobicContact CE1-CG1 3.84Å
105V98.4Very high97Very high3 Ų354.7 Ų54.72%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-80.9137.1170.8176.30000109.4E102 P103 I122 T123 V136E102-V105 HydrophobicContact CG-CG2 3.48Å; E102-V105 VanDerWaalsContact CG-CG2 3.48Å; E102-V105 VanDerWaalsContact O-CG2 3.24Å; E102-V105 WeakPolarHBondContact O-CG2 3.18Å; P103-V105 VanDerWaalsContact C-N 3.28Å; P103-V105 PolarHBondContact O-N 3.02Å; V105-I122 WeakPolarHBondContact O-CA 3.46Å; V105-T123 PolarHBondContact N-OG1 2.88Å; V105-T123 VanDerWaalsContact N-OG1 3.08Å; V105-T123 PolarHBondContact O-N 2.8Å; V105-V136 HydrophobicContact CG1-CB 4.11Å; V105-V136 HydrophobicContact CG1-CG1 3.3Å; V105-V136 HydrophobicContact CG1-CG2 3.71Å
106L98.7Very high97.1Very high0 Ų052.5 Ų52.50%026%0.262CS..EExtended strand (participates in β ladder)trans-98.9122.3176.7-179.667.7000109.7F22 L24 F36 F120 I122 F137 G138F22-L106 HydrophobicContact CB-CD2 4.27Å; F22-L106 HydrophobicContact CD1-CD1 4.32Å; F22-L106 HydrophobicContact CD1-CD2 3.8Å; F22-L106 HydrophobicContact CD1-CG 4.47Å; F22-L106 HydrophobicContact CE1-CD1 4.18Å; F22-L106 HydrophobicContact CE1-CD2 4.44Å; F22-L106 HydrophobicContact CG-CD2 4.15Å; L24-L106 HydrophobicContact CD2-CD2 4.02Å; F36-L106 HydrophobicContact CD1-CD2 4.41Å; F36-L106 HydrophobicContact CE1-CD2 3.99Å; F36-L106 HydrophobicContact CE2-CD1 4.23Å; F36-L106 HydrophobicContact CE2-CD2 4.18Å; F36-L106 HydrophobicContact CZ-CD1 4.32Å; F36-L106 HydrophobicContact CZ-CD2 3.86Å; L106-F120 HydrophobicContact CD1-CB 4.29Å; L106-F120 HydrophobicContact CD1-CD2 3.51Å; L106-F120 HydrophobicContact CD1-CE2 4.19Å; L106-F120 HydrophobicContact CD1-CG 4.18Å; L106-I122 HydrophobicContact CD1-CG1 3.89Å; L106-F137 HydrophobicContact CD1-CE2 4.46Å; L106-F137 HydrophobicContact CD1-CZ 3.97Å; L106-F137 HydrophobicContact CD2-CD2 3.98Å; L106-F137 HydrophobicContact CD2-CE2 3.26Å; L106-F137 HydrophobicContact CD2-CZ 3.63Å; L106-F137 HydrophobicContact CG-CD2 4.27Å; L106-F137 HydrophobicContact CG-CE1 3.97Å; L106-F137 HydrophobicContact CG-CE2 3.58Å; L106-F137 HydrophobicContact CG-CZ 3.42Å; L106-F137 VanDerWaalsContact CG-CZ 3.42Å; L106-F137 PolarHBondContact O-N 2.85Å; L106-G138 PolarHBondContact N-O 2.96Å; L106-G138 PolarHBondContact O-N 3.38Å
107S98.6Very high97.1Very high0 Ų049.9 Ų49.90%025%0.253CS..EExtended strand (participates in β ladder)trans-142.5151.2-170.5-172.20000112.7H100 F120 F121 N134 V135 F137H100-S107 WeakPolarHBondContact NE2-CB 3.3Å; H100-S107 PolarHBondContact NE2-OG 3.43Å; S107-F120 CarbonylContact O-C 3.44Å; S107-F120 VanDerWaalsContact O-CA 3.3Å; S107-F120 WeakPolarHBondContact O-CA 3.04Å; S107-F121 PolarHBondContact N-O 3.39Å; S107-F121 PolarHBondContact O-N 2.92Å; S107-F121 WeakPolarHBondContact OG-CZ 3.48Å; S107-N134 WeakPolarHBondContact OG-CB 3.29Å; S107-V135 WeakPolarHBondContact CA-O 3.49Å; S107-V135 PolarHBondContact OG-O 2.94Å; S107-F137 VanDerWaalsContact C-CE1 3.41Å
108M98.5Very high97.2Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-76.3129.3-177.1-73.2-56.2-64.600111T32 F91 N116 G117 Q119 F121 N134 V135 F137T32-M108 HydrophobicContact CG2-CG 3.47Å; T32-M108 VanDerWaalsContact CG2-CG 3.47Å; T32-M108 HydrophobicContact CG2-SD 3.92Å; F91-M108 HydrophobicContact CE1-CE 4.09Å; F91-M108 HydrophobicContact CZ-CE 4.03Å; M108-N116 WeakPolarHBondContact CB-OD1 3.43Å; M108-N116 HydrophobicContact CE-CB 4Å; M108-G117 WeakPolarHBondContact CE-O 3.35Å; M108-Q119 WeakPolarHBondContact CE-O 3.44Å; M108-F121 WeakPolarHBondContact O-CE1 3.4Å; M108-N134 PolarHBondContact O-ND2 3.41Å; M108-V135 HydrophobicContact CB-CB 4.47Å; M108-V135 HydrophobicContact CG-CB 4.42Å; M108-V135 PolarHBondContact N-O 3.28Å; M108-F137 HydrophobicContact CB-CE1 4.43Å; M108-F137 HydrophobicContact CG-CD1 3.7Å; M108-F137 HydrophobicContact CG-CE1 3.68Å; M108-F137 HydrophobicContact SD-CD1 3.95Å; M108-F137 HydrophobicContact SD-CE1 3.41Å; M108-F137 WeakPolarHBondContact SD-CE1 3.48Å; M108-F137 HydrophobicContact SD-CZ 3.95Å
109A98Very high97.2Very high12 Ų1239 Ų3910%0.09921%0.211CC..  trans-82.8132.5166.500000109.3Q119 F121A109-Q119 HydrophobicContact CB-CB 3.78Å; A109-Q119 PolarHBondContact N-O 2.74Å; A109-F121 HydrophobicContact CB-CD1 4.14Å
110N96.9Very high97.3Very high33 Ų3334.8 Ų34.818%0.17619%0.193CC..  trans-134.9178.6179.564.624000110.7S133 N134N110-S133 PolarHBondContact ND2-O 3.13Å; N110-N134 PolarHBondContact ND2-ND2 3.37Å; N110-N134 PolarHBondContact OD1-ND2 2.9Å
111R92.4Very high97.3Very high116 Ų11635.3 Ų35.344%0.43820%0.195SC..SBendtrans-12229.2-179.7-59.7-179-173.4156.311.3111.5G80 T81 G82 T115G80-R111 PolarHBondContact O-NH2 3.13Å; T81-R111 VanDerWaalsContact CA-NH2 3.29Å; T81-R111 PolarHBondContact O-NH2 3.25Å; G82-R111 PolarHBondContact O-NH2 3.48Å; R111-T115 WeakPolarHBondContact CA-OG1 3.35Å; R111-T115 PolarHBondContact N-OG1 2.81Å
112G94.3Very high97.5Very high28 Ų2830.6 Ų30.629%0.28917%0.17SC..SBendtrans121.1176-168.600000111.7N114 T115G112-N114 PolarHBondContact O-N 3.45Å; G112-T115 PolarHBondContact N-OG1 3.45Å; G112-T115 PolarHBondContact O-N 3.5Å; G112-T115 PolarHBondContact O-OG1 3.4Å
113P96.1Very high97.7Very high110 Ų11026 Ų2671%0.71415%0.149SC*.THydrogen-bonded Turntrans-54138.4-177-25.934.7000112.4D93 T115D93-P113 WeakPolarHBondContact OD2-CA 3.17Å; P113-T115 VanDerWaalsContact C-N 3.32Å; P113-T115 PolarHBondContact O-N 3.1Å
114N96.8Very high97.7Very high74 Ų7424.2 Ų24.240%0.39614%0.137SC..THydrogen-bonded Turntrans58.834.7174.2-56.5-36.9000115.2F91 D92 D93 G112F91-N114 CarbonylContact O-C 3.58Å; D92-N114 WeakPolarHBondContact CA-OD1 3.46Å; D92-N114 HydrophobicContact CB-CB 4.31Å; D93-N114 PolarHBondContact N-OD1 2.82Å; D93-N114 PolarHBondContact OD2-N 2.86Å; G112-N114 PolarHBondContact O-N 3.45Å
115T97.9Very high97.6Very high45 Ų4528.7 Ų28.728%0.27615%0.152SC..  trans-118.431.9179.3610000113.3R111 G112 P113 G117R111-T115 WeakPolarHBondContact CA-OG1 3.35Å; R111-T115 PolarHBondContact N-OG1 2.81Å; G112-T115 PolarHBondContact N-OG1 3.45Å; G112-T115 PolarHBondContact O-N 3.5Å; G112-T115 PolarHBondContact O-OG1 3.4Å; P113-T115 VanDerWaalsContact C-N 3.32Å; P113-T115 PolarHBondContact O-N 3.1Å; T115-G117 PolarHBondContact O-N 3.37Å
116N98.4Very high97.6Very high0 Ų029.6 Ų29.60%016%0.158CC..BIsolated β-bridgetrans-70124.9-179.4-61-65.1000110.5T90 F91 D92 D93 M108T90-N116 CarbonylContact C-O 3.5Å; T90-N116 WeakPolarHBondContact CA-O 3.47Å; T90-N116 WeakPolarHBondContact CB-O 3.47Å; F91-N116 HydrophobicContact CD1-CB 3.71Å; F91-N116 WeakPolarHBondContact CD1-O 3.16Å; F91-N116 HydrophobicContact CD2-CB 4.05Å; F91-N116 HydrophobicContact CE1-CB 3.38Å; F91-N116 WeakPolarHBondContact CE1-O 3.29Å; F91-N116 HydrophobicContact CE2-CB 3.76Å; F91-N116 HydrophobicContact CG-CB 4.03Å; F91-N116 HydrophobicContact CZ-CB 3.41Å; F91-N116 VanDerWaalsContact CZ-CB 3.41Å; F91-N116 PolarHBondContact N-O 3.19Å; F91-N116 WeakPolarHBondContact O-CB 3.39Å; F91-N116 PolarHBondContact O-N 2.93Å; F91-N116 VanDerWaalsContact O-N 3.09Å; F91-N116 PolarHBondContact O-ND2 2.93Å; D92-N116 PolarHBondContact O-ND2 2.61Å; D93-N116 PolarHBondContact N-ND2 2.91Å; D93-N116 PolarHBondContact OD1-ND2 3.14Å; M108-N116 WeakPolarHBondContact CB-OD1 3.43Å; M108-N116 HydrophobicContact CE-CB 4Å
117G98.4Very high97.4Very high10 Ų1029.6 Ų29.610%0.10316%0.158CC..  trans-115.8-114.5178.100000111.3N35 M108 T115N35-G117 PolarHBondContact ND2-O 3Å; M108-G117 WeakPolarHBondContact CE-O 3.35Å; T115-G117 PolarHBondContact O-N 3.37Å
118S98.6Very high97.4Very high1 Ų132.2 Ų32.21%0.00718%0.176CC..SBendtrans-116.5-5.9174.4620000113.8Y56 G73 F75 G83 E84Y56-S118 VanDerWaalsContact CE1-O 3.25Å; Y56-S118 WeakPolarHBondContact CE1-O 3.47Å; Y56-S118 PolarHBondContact OH-O 2.79Å; G73-S118 WeakPolarHBondContact CA-O 3.25Å; G73-S118 WeakPolarHBondContact O-CB 3.25Å; G73-S118 PolarHBondContact O-OG 2.84Å; F75-S118 VanDerWaalsContact CE1-CB 3.41Å; F75-S118 VanDerWaalsContact CE1-OG 3.26Å; F75-S118 WeakPolarHBondContact CE1-OG 3.07Å; G83-S118 WeakPolarHBondContact CA-OG 3.26Å; E84-S118 PolarHBondContact N-OG 3.43Å; E84-S118 WeakPolarHBondContact O-CB 3.46Å
119Q98.7Very high97.1Very high13 Ų1336 Ų366%0.06119%0.193CC..  trans-79.3141-178.3-66.3-174.44800110.5H62 G72 D74 G80 G82 M108 A109H62-Q119 PolarHBondContact NE2-OE1 3.28Å; G72-Q119 WeakPolarHBondContact O-CA 3.21Å; D74-Q119 HydrophobicContact CB-CG 4.09Å; G80-Q119 PolarHBondContact O-NE2 2.96Å; G82-Q119 PolarHBondContact O-NE2 3.5Å; M108-Q119 WeakPolarHBondContact CE-O 3.44Å; A109-Q119 HydrophobicContact CB-CB 3.78Å; A109-Q119 PolarHBondContact N-O 2.74Å
120F98.8Very high97Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-140.4161.8179.666.8-88.7000109.2M8 F36 Y56 F61 Q71 G72 L106 S107 I122 F137 I168M8-F120 HydrophobicContact CE-CE1 3.86Å; M8-F120 HydrophobicContact CE-CE2 4.46Å; M8-F120 HydrophobicContact CE-CZ 3.59Å; M8-F120 HydrophobicContact SD-CE2 4.47Å; M8-F120 HydrophobicContact SD-CZ 3.79Å; F36-F120 HydrophobicContact CD2-CD1 4.26Å; F36-F120 HydrophobicContact CD2-CG 4.42Å; F36-F120 HydrophobicContact CE2-CB 4.29Å; F36-F120 AromaticContact CE2-CD1 3.61Å; F36-F120 HydrophobicContact CE2-CD1 3.61Å; F36-F120 HydrophobicContact CE2-CD2 4.1Å; F36-F120 AromaticContact CE2-CE1 3.88Å; F36-F120 HydrophobicContact CE2-CE1 3.88Å; F36-F120 HydrophobicContact CE2-CE2 4.34Å; F36-F120 AromaticContact CE2-CG 3.73Å; F36-F120 HydrophobicContact CE2-CG 3.73Å; F36-F120 HydrophobicContact CE2-CZ 4.24Å; Y56-F120 HydrophobicContact CD1-CE1 4.46Å; Y56-F120 HydrophobicContact CE1-CD1 4.29Å; Y56-F120 HydrophobicContact CE1-CE1 4.13Å; Y56-F120 HydrophobicContact CE2-CE1 4.31Å; F61-F120 AromaticContact CE1-CE2 3.93Å; F61-F120 HydrophobicContact CE1-CE2 3.93Å; F61-F120 HydrophobicContact CE1-CZ 4.17Å; F61-F120 HydrophobicContact CZ-CE2 4.13Å; F61-F120 HydrophobicContact CZ-CZ 4.09Å; Q71-F120 WeakPolarHBondContact CA-O 3.05Å; G72-F120 PolarHBondContact N-O 2.99Å; G72-F120 PolarHBondContact O-N 3.31Å; G72-F120 VanDerWaalsContact O-N 3.15Å; L106-F120 HydrophobicContact CD1-CB 4.29Å; L106-F120 HydrophobicContact CD1-CD2 3.51Å; L106-F120 HydrophobicContact CD1-CE2 4.19Å; L106-F120 HydrophobicContact CD1-CG 4.18Å; S107-F120 CarbonylContact O-C 3.44Å; S107-F120 VanDerWaalsContact O-CA 3.3Å; S107-F120 WeakPolarHBondContact O-CA 3.04Å; F120-I122 HydrophobicContact CD2-CG1 4.46Å; F120-I122 HydrophobicContact CE2-CD1 4.33Å; F120-I122 HydrophobicContact CE2-CG1 4.4Å; F120-F137 HydrophobicContact CB-CE1 4.41Å; F120-F137 HydrophobicContact CB-CZ 4.17Å; F120-I168 HydrophobicContact CZ-CD1 4.49Å
121F98.7Very high97Very high11 Ų1136.4 Ų36.45%0.04819%0.194CC..EExtended strand (participates in β ladder)trans-132.5156.9168.362.9-88000111M69 I70 Q71 H100 S107 M108 A109 T123 L130 N134M69-F121 HydrophobicContact CB-CB 4.4Å; M69-F121 HydrophobicContact CB-CD2 4.15Å; M69-F121 HydrophobicContact SD-CB 3.98Å; I70-F121 CarbonylContact O-C 3.57Å; I70-F121 WeakPolarHBondContact O-CA 3.43Å; I70-F121 WeakPolarHBondContact O-CB 3.41Å; Q71-F121 HydrophobicContact CB-CB 4.05Å; H100-F121 AromaticContact NE2-CZ 3.72Å; S107-F121 PolarHBondContact N-O 3.39Å; S107-F121 PolarHBondContact O-N 2.92Å; S107-F121 WeakPolarHBondContact OG-CZ 3.48Å; M108-F121 WeakPolarHBondContact O-CE1 3.4Å; A109-F121 HydrophobicContact CB-CD1 4.14Å; F121-T123 HydrophobicContact CD2-CG2 4.02Å; F121-T123 HydrophobicContact CE2-CG2 3.76Å; F121-L130 HydrophobicContact CE2-CD1 3.55Å; F121-L130 HydrophobicContact CZ-CD1 3.55Å; F121-N134 HydrophobicContact CE1-CB 4.09Å; F121-N134 HydrophobicContact CZ-CB 3.99Å
122I98.7Very high97.1Very high0 Ų032.8 Ų32.80%019%0.192CC..EExtended strand (participates in β ladder)trans-115121.3172.3-57.9161.7000106.4F22 F61 M69 I70 V105 L106 F120 V140 V147F22-I122 HydrophobicContact CE1-CD1 3.57Å; F22-I122 HydrophobicContact CE1-CG1 4.1Å; F22-I122 HydrophobicContact CZ-CD1 3.87Å; F61-I122 HydrophobicContact CE1-CD1 4.38Å; M69-I122 CarbonylContact C-O 3.52Å; M69-I122 WeakPolarHBondContact CA-O 3.14Å; M69-I122 WeakPolarHBondContact CB-O 3.45Å; I70-I122 HydrophobicContact CD1-CD1 4.1Å; I70-I122 HydrophobicContact CG1-CB 3.92Å; I70-I122 HydrophobicContact CG1-CD1 4.27Å; I70-I122 PolarHBondContact N-O 2.87Å; I70-I122 PolarHBondContact O-N 2.82Å; V105-I122 WeakPolarHBondContact O-CA 3.46Å; L106-I122 HydrophobicContact CD1-CG1 3.89Å; F120-I122 HydrophobicContact CD2-CG1 4.46Å; F120-I122 HydrophobicContact CE2-CD1 4.33Å; F120-I122 HydrophobicContact CE2-CG1 4.4Å; I122-V140 HydrophobicContact CD1-CG2 4.47Å; I122-V140 HydrophobicContact CG2-CG2 3.73Å; I122-V147 HydrophobicContact CD1-CG2 4.29Å; I122-V147 HydrophobicContact CG2-CG1 4.03Å; I122-V147 HydrophobicContact CG2-CG2 4.41Å
123T98.4Very high97.2Very high0 Ų034.5 Ų34.50%020%0.2CC..EExtended strand (participates in β ladder)trans-71.5150.1175.462.70000110.6F68 E102 F104 V105 F121 R125 A127F68-T123 CarbonylContact O-C 3.56Å; F68-T123 WeakPolarHBondContact O-CA 3.4Å; E102-T123 PolarHBondContact O-OG1 2.99Å; F104-T123 WeakPolarHBondContact CA-O 3.15Å; F104-T123 PolarHBondContact N-O 2.92Å; F104-T123 PolarHBondContact N-OG1 2.9Å; V105-T123 PolarHBondContact N-OG1 2.88Å; V105-T123 VanDerWaalsContact N-OG1 3.08Å; V105-T123 PolarHBondContact O-N 2.8Å; F121-T123 HydrophobicContact CD2-CG2 4.02Å; F121-T123 HydrophobicContact CE2-CG2 3.76Å; T123-R125 WeakPolarHBondContact CB-O 3.41Å; T123-A127 HydrophobicContact CG2-CB 4.31Å
124T97.8Very high97.3Very high11 Ų1130.1 Ų30.17%0.06717%0.17CC..SBendtrans-117.6-917256.50000111.8F68 P103 V147 E151F68-T124 PolarHBondContact N-OG1 2.79Å; F68-T124 VanDerWaalsContact N-OG1 3.13Å; F68-T124 PolarHBondContact O-N 2.99Å; F68-T124 PolarHBondContact O-OG1 3Å; P103-T124 VanDerWaalsContact CB-O 3.3Å; P103-T124 WeakPolarHBondContact CB-O 3.38Å; T124-V147 HydrophobicContact CG2-CG1 3.92Å; T124-E151 WeakPolarHBondContact CB-OE1 3.39Å; T124-E151 WeakPolarHBondContact CB-OE2 3.3Å; T124-E151 HydrophobicContact CG2-CB 4.35Å; T124-E151 HydrophobicContact CG2-CG 4.36Å; T124-E151 WeakPolarHBondContact CG2-OE2 3.19Å; T124-E151 VanDerWaalsContact OG1-CD 3.23Å; T124-E151 PolarHBondContact OG1-OE1 3.04Å; T124-E151 PolarHBondContact OG1-OE2 2.77Å
125R97.3Very high97.4Very high135 Ų13526.6 Ų26.651%0.50915%0.151SC..SBendtrans-137.7161.7171.3-64.8-63-175.51621.8110N67 T123N67-R125 HydrophobicContact CB-CG 4.21Å; N67-R125 WeakPolarHBondContact O-CG 3.4Å; N67-R125 PolarHBondContact OD1-NH2 2.99Å; T123-R125 WeakPolarHBondContact CB-O 3.41Å
126P97.1Very high97.4Very high22 Ų2224.6 Ų24.614%0.14314%0.139CC..  trans-56.1138.5167.2-22.733.9000111.3H100 L101 P221H100-P126 CarbonylContact O-C 3.38Å; H100-P126 WeakPolarHBondContact O-CA 3.49Å; L101-P126 WeakPolarHBondContact O-CB 3.35Å; L101-P126 WeakPolarHBondContact O-CG 3.23Å; P126-P221 HydrophobicContact CB-CG 3.92Å; P126-P221 HydrophobicContact CG-CG 4.28Å
127A96.1Very high97.5Very high0 Ų024.6 Ų24.60%014%0.139CC..  trans-138.557.1-174.300000112.1F68 H100 T123 H129 L130F68-A127 HydrophobicContact CD2-CB 4.33Å; F68-A127 HydrophobicContact CE2-CB 3.74Å; H100-A127 HydrophobicContact CB-CB 4.01Å; H100-A127 WeakPolarHBondContact CB-O 3.27Å; H100-A127 PolarHBondContact O-N 3.08Å; T123-A127 HydrophobicContact CG2-CB 4.31Å; A127-H129 PolarHBondContact O-N 3.17Å; A127-L130 HydrophobicContact CB-CD1 3.8Å; A127-L130 HydrophobicContact CB-CG 4.14Å; A127-L130 WeakPolarHBondContact O-CB 3.36Å; A127-L130 PolarHBondContact O-N 2.67Å
128P96.7Very high97.5Very high56 Ų5624.1 Ų24.136%0.36413%0.134SC..G310 helixtrans-60.1-22.2-174.224.9-35.3000113.9L101 L130 D131L101-P128 HydrophobicContact CD2-CB 4.41Å; P128-L130 PolarHBondContact O-N 3.27Å; P128-L130 VanDerWaalsContact O-N 3.15Å; P128-D131 WeakPolarHBondContact O-CB 3.13Å; P128-D131 VanDerWaalsContact O-CG 3.3Å; P128-D131 PolarHBondContact O-N 2.98Å
129H94.1Very high97.5Very high80 Ų8028.5 Ų28.537%0.3715%0.151SC..G310 helixtrans-63.2-14.4173.864.9-81.1000114.2F68 A127 I226F68-H129 AromaticContact CE2-CE1 3.44Å; F68-H129 VanDerWaalsContact CE2-CE1 3.44Å; F68-H129 WeakPolarHBondContact CE2-CE1 3.34Å; F68-H129 AromaticContact CE2-NE2 3.46Å; F68-H129 WeakPolarHBondContact CE2-NE2 3.33Å; F68-H129 AromaticContact CZ-CE1 3.92Å; F68-H129 AromaticContact CZ-NE2 3.43Å; F68-H129 WeakPolarHBondContact CZ-NE2 3.4Å; A127-H129 PolarHBondContact O-N 3.17Å; H129-I226 WeakPolarHBondContact CE1-CG2 3.45Å
130L96Very high97.5Very high12 Ų1228.1 Ų28.16%0.06315%0.149CC..G310 helixtrans-90.3-8.3174.4-57.2179.6000112.8F68 F121 A127 P128 G132 S133 N134 V229F68-L130 HydrophobicContact CE2-CD1 4.02Å; F68-L130 HydrophobicContact CZ-CD1 3.95Å; F68-L130 HydrophobicContact CZ-CD2 4.43Å; F68-L130 HydrophobicContact CZ-CG 4.5Å; F121-L130 HydrophobicContact CE2-CD1 3.55Å; F121-L130 HydrophobicContact CZ-CD1 3.55Å; A127-L130 HydrophobicContact CB-CD1 3.8Å; A127-L130 HydrophobicContact CB-CG 4.14Å; A127-L130 WeakPolarHBondContact O-CB 3.36Å; A127-L130 PolarHBondContact O-N 2.67Å; P128-L130 PolarHBondContact O-N 3.27Å; P128-L130 VanDerWaalsContact O-N 3.15Å; L130-G132 PolarHBondContact O-N 2.55Å; L130-S133 PolarHBondContact O-N 2.79Å; L130-S133 VanDerWaalsContact O-N 3.14Å; L130-N134 PolarHBondContact O-N 3.33Å; L130-V229 HydrophobicContact CD2-CG2 3.84Å
131D95.6Very high97.4Very high41 Ų4130.9 Ų30.922%0.21916%0.163CC..THydrogen-bonded Turntrans-66.1135-178.8-66.6-21.1000111K99 H100 P128 S133K99-D131 VanDerWaalsContact CA-OD1 3.3Å; K99-D131 WeakPolarHBondContact CA-OD1 3.38Å; K99-D131 WeakPolarHBondContact CB-OD2 3.07Å; K99-D131 HydrophobicContact CD-CB 3.83Å; K99-D131 WeakPolarHBondContact CD-OD2 3.49Å; H100-D131 IonicContact CE1-OD1 2.81Å; H100-D131 IonicContact CG-OD1 3.56Å; H100-D131 PolarHBondContact N-OD1 3.04Å; H100-D131 IonicContact ND1-OD1 2.68Å; H100-D131 PolarHBondContact ND1-OD1 3.25Å; P128-D131 WeakPolarHBondContact O-CB 3.13Å; P128-D131 VanDerWaalsContact O-CG 3.3Å; P128-D131 PolarHBondContact O-N 2.98Å; D131-S133 PolarHBondContact O-N 3.23Å
132G95.6Very high97.4Very high39 Ų3932 Ų3240%0.40217%0.174SC..THydrogen-bonded Turntrans78.3-4.7-175.400000114.6F96 L130F96-G132 WeakPolarHBondContact CE2-O 3.37Å; F96-G132 VanDerWaalsContact CZ-O 3.26Å; F96-G132 WeakPolarHBondContact CZ-O 3.48Å; L130-G132 PolarHBondContact O-N 2.55Å
133S96.5Very high97.4Very high65 Ų6532.5 Ų32.546%0.45518%0.18SC..THydrogen-bonded Turntrans-115.1-35.7177.2-61.40000113N110 L130 D131N110-S133 PolarHBondContact ND2-O 3.13Å; L130-S133 PolarHBondContact O-N 2.79Å; L130-S133 VanDerWaalsContact O-N 3.14Å; D131-S133 PolarHBondContact O-N 3.23Å
134N98.2Very high97.4Very high17 Ų1736.5 Ų36.59%0.09120%0.197CC..SBendtrans-120.1130.6-179.2-63.597.6000110.9H100 S107 M108 N110 F121 L130 V136H100-N134 PolarHBondContact CE1-O 2.93Å; S107-N134 WeakPolarHBondContact OG-CB 3.29Å; M108-N134 PolarHBondContact O-ND2 3.41Å; N110-N134 PolarHBondContact ND2-ND2 3.37Å; N110-N134 PolarHBondContact OD1-ND2 2.9Å; F121-N134 HydrophobicContact CE1-CB 4.09Å; F121-N134 HydrophobicContact CZ-CB 3.99Å; L130-N134 PolarHBondContact O-N 3.33Å; N134-V136 PolarHBondContact O-N 3.34Å
135V98.4Very high97.4Very high0 Ų041.6 Ų41.60%023%0.225CC..  trans-74.7114.2179.7179.80000109.7V29 T32 D93 F96 S107 M108V29-V135 HydrophobicContact CG1-CG1 4.02Å; T32-V135 HydrophobicContact CG2-CG1 4.12Å; D93-V135 HydrophobicContact CB-CG2 3.95Å; F96-V135 HydrophobicContact CD1-CG2 4.38Å; F96-V135 HydrophobicContact CE1-CG2 3.96Å; S107-V135 WeakPolarHBondContact CA-O 3.49Å; S107-V135 PolarHBondContact OG-O 2.94Å; M108-V135 HydrophobicContact CB-CB 4.47Å; M108-V135 HydrophobicContact CG-CB 4.42Å; M108-V135 PolarHBondContact N-O 3.28Å
136V98.6Very high97.5Very high4 Ų435.4 Ų35.42%0.02420%0.202CC..EExtended strand (participates in β ladder)trans-78.5123.9169.2171.40000109.6F25 F98 H100 V105 N134F25-V136 HydrophobicContact CD2-CG1 4.37Å; F25-V136 HydrophobicContact CE2-CG1 4Å; F98-V136 HydrophobicContact CB-CB 3.66Å; F98-V136 HydrophobicContact CB-CG1 3.51Å; F98-V136 HydrophobicContact CG-CG1 4.34Å; H100-V136 WeakPolarHBondContact CE1-CG2 3.25Å; H100-V136 VanDerWaalsContact NE2-CG2 3.32Å; H100-V136 WeakPolarHBondContact NE2-CG2 3.25Å; V105-V136 HydrophobicContact CG1-CB 4.11Å; V105-V136 HydrophobicContact CG1-CG1 3.3Å; V105-V136 HydrophobicContact CG1-CG2 3.71Å; N134-V136 PolarHBondContact O-N 3.34Å
137F98.7Very high97.5Very high0 Ų034.4 Ų34.40%020%0.195CC..EExtended strand (participates in β ladder)trans-131.74.4-173.269.5-90.6000115L24 F25 V29 T32 C33 F36 L106 S107 M108 F120L24-F137 HydrophobicContact CD2-CD2 4.3Å; L24-F137 HydrophobicContact CD2-CE2 4.33Å; F25-F137 PolarHBondContact N-O 3.35Å; V29-F137 HydrophobicContact CG2-CB 3.62Å; T32-F137 HydrophobicContact CG2-CB 3.56Å; T32-F137 HydrophobicContact CG2-CD1 3.72Å; T32-F137 HydrophobicContact CG2-CD2 4.35Å; T32-F137 HydrophobicContact CG2-CE1 4.48Å; T32-F137 HydrophobicContact CG2-CG 3.63Å; C33-F137 PolarHBondContact SG-O 3.19Å; F36-F137 HydrophobicContact CB-CD2 4.25Å; F36-F137 HydrophobicContact CB-CE2 3.52Å; F36-F137 HydrophobicContact CB-CZ 4.13Å; F36-F137 AromaticContact CD1-CE2 3.98Å; F36-F137 HydrophobicContact CD1-CE2 3.98Å; F36-F137 AromaticContact CD2-CE2 3.49Å; F36-F137 HydrophobicContact CD2-CE2 3.49Å; F36-F137 VanDerWaalsContact CD2-CE2 3.49Å; F36-F137 AromaticContact CD2-CZ 3.45Å; F36-F137 HydrophobicContact CD2-CZ 3.45Å; F36-F137 VanDerWaalsContact CD2-CZ 3.45Å; F36-F137 HydrophobicContact CE2-CE2 4.14Å; F36-F137 AromaticContact CE2-CZ 3.97Å; F36-F137 HydrophobicContact CE2-CZ 3.97Å; F36-F137 HydrophobicContact CG-CD2 4.46Å; F36-F137 AromaticContact CG-CE2 3.39Å; F36-F137 HydrophobicContact CG-CE2 3.39Å; F36-F137 AromaticContact CG-CZ 3.88Å; F36-F137 HydrophobicContact CG-CZ 3.88Å; L106-F137 HydrophobicContact CD1-CE2 4.46Å; L106-F137 HydrophobicContact CD1-CZ 3.97Å; L106-F137 HydrophobicContact CD2-CD2 3.98Å; L106-F137 HydrophobicContact CD2-CE2 3.26Å; L106-F137 HydrophobicContact CD2-CZ 3.63Å; L106-F137 HydrophobicContact CG-CD2 4.27Å; L106-F137 HydrophobicContact CG-CE1 3.97Å; L106-F137 HydrophobicContact CG-CE2 3.58Å; L106-F137 HydrophobicContact CG-CZ 3.42Å; L106-F137 VanDerWaalsContact CG-CZ 3.42Å; L106-F137 PolarHBondContact O-N 2.85Å; S107-F137 VanDerWaalsContact C-CE1 3.41Å; M108-F137 HydrophobicContact CB-CE1 4.43Å; M108-F137 HydrophobicContact CG-CD1 3.7Å; M108-F137 HydrophobicContact CG-CE1 3.68Å; M108-F137 HydrophobicContact SD-CD1 3.95Å; M108-F137 HydrophobicContact SD-CE1 3.41Å; M108-F137 WeakPolarHBondContact SD-CE1 3.48Å; M108-F137 HydrophobicContact SD-CZ 3.95Å; F120-F137 HydrophobicContact CB-CE1 4.41Å; F120-F137 HydrophobicContact CB-CZ 4.17Å
138G98.6Very high97.6Very high0 Ų036.8 Ų36.80%021%0.212CC..EExtended strand (participates in β ladder)trans-177.9-167.1173.300000112.8Q23 L106Q23-G138 CarbonylContact O-C 3.43Å; Q23-G138 WeakPolarHBondContact O-CA 3.37Å; L106-G138 PolarHBondContact N-O 2.96Å; L106-G138 PolarHBondContact O-N 3.38Å
139R98.6Very high97.7Very high92 Ų9237.9 Ų37.935%0.34721%0.212SC..EExtended strand (participates in β ladder)trans-152.1158.417363-179.3178.4173.93111.3F22 Q23 F25 F104 I141F22-R139 CarbonylContact C-O 3.52Å; F22-R139 WeakPolarHBondContact CA-O 3.4Å; Q23-R139 HydrophobicContact CB-CG 4.46Å; Q23-R139 PolarHBondContact N-O 3.46Å; Q23-R139 PolarHBondContact O-N 3.48Å; F25-R139 HydrophobicContact CE1-CG 4.08Å; F25-R139 HydrophobicContact CZ-CB 4.11Å; F25-R139 HydrophobicContact CZ-CG 3.91Å; F104-R139 WeakPolarHBondContact O-CA 3.45Å; R139-I141 HydrophobicContact CG-CG2 4.2Å
140V98.6Very high97.9Very high6 Ų634.1 Ų34.14%0.03620%0.195CC..EExtended strand (participates in β ladder)trans-72.8136.8168.4-174.80000109.1I20 V21 F22 F104 I122 A142 F144 V147I20-V140 HydrophobicContact CG2-CG1 3.82Å; I20-V140 HydrophobicContact CG2-CG2 4.12Å; V21-V140 WeakPolarHBondContact O-CA 3.42Å; F22-V140 HydrophobicContact CD1-CG2 4.12Å; F22-V140 HydrophobicContact CE1-CG2 3.96Å; F104-V140 HydrophobicContact CB-CB 3.96Å; F104-V140 HydrophobicContact CB-CG2 4.12Å; F104-V140 PolarHBondContact O-N 3.02Å; I122-V140 HydrophobicContact CD1-CG2 4.47Å; I122-V140 HydrophobicContact CG2-CG2 3.73Å; V140-A142 WeakPolarHBondContact CG1-O 3.35Å; V140-F144 HydrophobicContact CB-CD1 4.31Å; V140-F144 HydrophobicContact CB-CE1 4Å; V140-F144 HydrophobicContact CG1-CD1 4Å; V140-F144 HydrophobicContact CG1-CE1 3.94Å; V140-F144 HydrophobicContact CG1-CZ 4.48Å; V140-F144 WeakPolarHBondContact O-CE1 3.48Å; V140-V147 HydrophobicContact CG2-CG2 4.32Å
141I98.2Very high98Very high57 Ų5734.6 Ų34.629%0.29220%0.197SC..EExtended strand (participates in β ladder)trans-121-11.7176.260.6165.1000113.1R5 V21 Q23 R139R5-I141 HydrophobicContact CG-CD1 4.19Å; V21-I141 HydrophobicContact CB-CG1 4.05Å; V21-I141 HydrophobicContact CG1-CD1 3.81Å; V21-I141 HydrophobicContact CG1-CG1 3.73Å; V21-I141 WeakPolarHBondContact O-CG1 3.21Å; V21-I141 PolarHBondContact O-N 2.88Å; Q23-I141 HydrophobicContact CB-CD1 4.29Å; Q23-I141 HydrophobicContact CB-CG2 3.61Å; R139-I141 HydrophobicContact CG-CG2 4.2Å
142A97.9Very high98.1Very high34 Ų3435 Ų3528%0.28120%0.203SC..EExtended strand (participates in β ladder)trans-157.9156170.200000110V21 V140V21-A142 HydrophobicContact CB-CB 4.01Å; V21-A142 HydrophobicContact CG2-CB 4.08Å; V21-A142 PolarHBondContact N-O 2.99Å; V21-A142 PolarHBondContact O-N 3.41Å; V140-A142 WeakPolarHBondContact CG1-O 3.35Å
143G98.2Very high98.3Very high11 Ų1133.7 Ų33.711%0.11319%0.186CC..  trans83.231.3-175.500000113.6R19 D145 V146 V147R19-G143 VanDerWaalsContact O-CA 3.31Å; R19-G143 WeakPolarHBondContact O-CA 3.38Å; G143-D145 VanDerWaalsContact C-N 3.29Å; G143-D145 WeakPolarHBondContact CA-OD1 3.06Å; G143-D145 PolarHBondContact O-N 2.73Å; G143-V146 WeakPolarHBondContact O-CB 3.48Å; G143-V146 PolarHBondContact O-N 3.47Å; G143-V147 PolarHBondContact O-N 3.28Å; G143-V147 VanDerWaalsContact O-N 3.13Å
144F98.3Very high98.3Very high84 Ų8438.6 Ų38.637%0.36820%0.199SC..Hα-helixtrans-61.5-39.7176.5-58.4-76.2000111.7F104 V140 V146 V147 S148F104-F144 HydrophobicContact CB-CD1 4.09Å; F104-F144 HydrophobicContact CB-CE1 4.02Å; F104-F144 AromaticContact CD1-CD1 3.82Å; F104-F144 HydrophobicContact CD1-CD1 3.82Å; F104-F144 AromaticContact CD2-CD1 3.58Å; F104-F144 HydrophobicContact CD2-CD1 3.58Å; F104-F144 AromaticContact CD2-CE1 3.97Å; F104-F144 HydrophobicContact CD2-CE1 3.97Å; F104-F144 HydrophobicContact CE1-CB 4.22Å; F104-F144 HydrophobicContact CE1-CD1 4.07Å; F104-F144 HydrophobicContact CE2-CB 4.5Å; F104-F144 AromaticContact CE2-CD1 3.85Å; F104-F144 HydrophobicContact CE2-CD1 3.85Å; F104-F144 AromaticContact CG-CD1 3.55Å; F104-F144 HydrophobicContact CG-CD1 3.55Å; F104-F144 AromaticContact CG-CE1 3.96Å; F104-F144 HydrophobicContact CG-CE1 3.96Å; F104-F144 HydrophobicContact CZ-CB 4.1Å; F104-F144 HydrophobicContact CZ-CD1 4.09Å; V140-F144 HydrophobicContact CB-CD1 4.31Å; V140-F144 HydrophobicContact CB-CE1 4Å; V140-F144 HydrophobicContact CG1-CD1 4Å; V140-F144 HydrophobicContact CG1-CE1 3.94Å; V140-F144 HydrophobicContact CG1-CZ 4.48Å; V140-F144 WeakPolarHBondContact O-CE1 3.48Å; F144-V146 VanDerWaalsContact C-N 3.34Å; F144-V147 PolarHBondContact O-N 3.27Å; F144-S148 PolarHBondContact O-N 3.26Å; F144-S148 PolarHBondContact O-OG 2.9Å; F144-S148 VanDerWaalsContact O-OG 3.1Å
145D98.2Very high98.3Very high119 Ų11938.9 Ų38.964%0.63620%0.202SC*.Hα-helixtrans-59.2-41.2172.158-38.3000112.4G143 S148 E149G143-D145 VanDerWaalsContact C-N 3.29Å; G143-D145 WeakPolarHBondContact CA-OD1 3.06Å; G143-D145 PolarHBondContact O-N 2.73Å; D145-S148 PolarHBondContact O-N 2.89Å; D145-E149 WeakPolarHBondContact O-CB 3.36Å; D145-E149 PolarHBondContact O-N 2.91Å
146V98.6Very high98.2Very high5 Ų541.6 Ų41.63%0.0322%0.216CC..Hα-helixtrans-62.6-44.9175.1-179.40000110.8I10 L17 I20 G143 F144 E149 I150I10-V146 HydrophobicContact CB-CG1 4.08Å; I10-V146 HydrophobicContact CG1-CG1 3.99Å; L17-V146 HydrophobicContact CD2-CG1 3.76Å; L17-V146 HydrophobicContact CG-CG1 4Å; I20-V146 HydrophobicContact CD1-CG1 4.02Å; I20-V146 HydrophobicContact CG1-CB 3.97Å; I20-V146 HydrophobicContact CG1-CG1 3.67Å; G143-V146 WeakPolarHBondContact O-CB 3.48Å; G143-V146 PolarHBondContact O-N 3.47Å; F144-V146 VanDerWaalsContact C-N 3.34Å; V146-E149 PolarHBondContact O-N 3.33Å; V146-I150 HydrophobicContact CG1-CD1 4.22Å; V146-I150 VanDerWaalsContact O-CG1 3.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.32Å; V146-I150 PolarHBondContact O-N 2.99Å
147V98.5Very high97.9Very high0 Ų048.7 Ų48.70%025%0.253CS..Hα-helixtrans-61.8-46.7176.51730000111.1I20 I70 F104 I122 T124 V140 G143 F144 E149 I150 E151I20-V147 HydrophobicContact CD1-CG2 3.75Å; I20-V147 HydrophobicContact CG1-CG2 4.13Å; I20-V147 HydrophobicContact CG2-CG2 4.19Å; I70-V147 HydrophobicContact CD1-CB 4.32Å; I70-V147 HydrophobicContact CD1-CG1 3.79Å; I70-V147 HydrophobicContact CD1-CG2 4.33Å; I70-V147 HydrophobicContact CG1-CG1 4.29Å; F104-V147 HydrophobicContact CD1-CB 4.24Å; F104-V147 HydrophobicContact CD1-CG1 3.92Å; F104-V147 HydrophobicContact CE1-CB 4.04Å; F104-V147 HydrophobicContact CE1-CG1 3.84Å; I122-V147 HydrophobicContact CD1-CG2 4.29Å; I122-V147 HydrophobicContact CG2-CG1 4.03Å; I122-V147 HydrophobicContact CG2-CG2 4.41Å; T124-V147 HydrophobicContact CG2-CG1 3.92Å; V140-V147 HydrophobicContact CG2-CG2 4.32Å; G143-V147 PolarHBondContact O-N 3.28Å; G143-V147 VanDerWaalsContact O-N 3.13Å; F144-V147 PolarHBondContact O-N 3.27Å; V147-E149 VanDerWaalsContact C-N 3.32Å; V147-E149 PolarHBondContact O-N 3.41Å; V147-I150 PolarHBondContact O-N 2.9Å; V147-E151 PolarHBondContact O-N 3.25Å
148S98.2Very high97.7Very high51 Ų5153.2 Ų53.236%0.35729%0.285SS..Hα-helixtrans-62-37.8177.9-620000112.5F144 D145 E151 S152F144-S148 PolarHBondContact O-N 3.26Å; F144-S148 PolarHBondContact O-OG 2.9Å; F144-S148 VanDerWaalsContact O-OG 3.1Å; D145-S148 PolarHBondContact O-N 2.89Å; S148-E151 PolarHBondContact O-N 3.33Å; S148-S152 WeakPolarHBondContact O-CB 3.14Å; S148-S152 PolarHBondContact O-N 3.13Å
149E98.2Very high97.5Very high79 Ų7956.3 Ų56.337%0.36930%0.303SS..Hα-helixtrans-71-35.6176.8-177.955.9-159.700112.1L17 D145 V146 V147 E151 S152 Q153L17-E149 HydrophobicContact CD1-CB 4.17Å; L17-E149 HydrophobicContact CD1-CG 3.69Å; L17-E149 HydrophobicContact CD2-CB 4.15Å; L17-E149 HydrophobicContact CD2-CG 4.06Å; D145-E149 WeakPolarHBondContact O-CB 3.36Å; D145-E149 PolarHBondContact O-N 2.91Å; V146-E149 PolarHBondContact O-N 3.33Å; V147-E149 VanDerWaalsContact C-N 3.32Å; V147-E149 PolarHBondContact O-N 3.41Å; E149-E151 VanDerWaalsContact C-N 3.31Å; E149-E151 PolarHBondContact O-N 3.1Å; E149-S152 PolarHBondContact O-N 3.45Å; E149-S152 PolarHBondContact O-OG 2.8Å; E149-S152 PolarHBondContact OE2-OG 3.5Å; E149-Q153 WeakPolarHBondContact O-CG 3.43Å; E149-Q153 PolarHBondContact O-NE2 2.67Å; E149-Q153 PolarHBondContact OE1-NE2 2.99Å
150I98.5Very high97.4Very high0 Ų053.4 Ų53.40%030%0.295CS..Hα-helixtrans-62.9-41.6171-63163.8000110.4I10 L17 I20 F61 V64 I70 V146 V147 S152 Q153 V166I10-I150 HydrophobicContact CG1-CD1 4.24Å; I10-I150 HydrophobicContact CG2-CD1 3.94Å; I10-I150 HydrophobicContact CG2-CG1 4.32Å; L17-I150 HydrophobicContact CD2-CG1 4.02Å; I20-I150 HydrophobicContact CD1-CD1 4.08Å; F61-I150 HydrophobicContact CB-CG2 4.29Å; F61-I150 HydrophobicContact CD2-CD1 4.39Å; F61-I150 HydrophobicContact CE2-CD1 4.34Å; F61-I150 HydrophobicContact CG-CG2 4.39Å; V64-I150 HydrophobicContact CG2-CG2 4.02Å; I70-I150 HydrophobicContact CB-CG2 4.19Å; I70-I150 HydrophobicContact CD1-CB 4.02Å; I70-I150 HydrophobicContact CD1-CD1 3.9Å; I70-I150 HydrophobicContact CD1-CG2 3.91Å; I70-I150 HydrophobicContact CG2-CB 4.4Å; I70-I150 HydrophobicContact CG2-CG2 3.91Å; V146-I150 HydrophobicContact CG1-CD1 4.22Å; V146-I150 VanDerWaalsContact O-CG1 3.26Å; V146-I150 WeakPolarHBondContact O-CG1 3.32Å; V146-I150 PolarHBondContact O-N 2.99Å; V147-I150 PolarHBondContact O-N 2.9Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.44Å; I150-Q153 WeakPolarHBondContact O-CB 3.32Å; I150-Q153 VanDerWaalsContact O-CG 3.32Å; I150-Q153 WeakPolarHBondContact O-CG 3.24Å; I150-Q153 PolarHBondContact O-N 2.82Å; I150-V166 HydrophobicContact CB-CG1 4.46Å; I150-V166 HydrophobicContact CD1-CG1 4.09Å; I150-V166 HydrophobicContact CG1-CG1 3.79Å; I150-V166 HydrophobicContact CG2-CG1 3.88Å; I150-V166 HydrophobicContact CG2-CG2 4.43Å
151E98.3Very high97.4Very high23 Ų2356.8 Ų56.811%0.10731%0.307CS..Hα-helixtrans-64.3-35.2177-175.7-176.3-147.500112.6V64 K66 N67 F68 I70 T124 V147 S148 E149 Q153V64-E151 WeakPolarHBondContact CG1-O 3.33Å; K66-E151 WeakPolarHBondContact CG-O 3.42Å; N67-E151 VanDerWaalsContact CA-OE1 3.27Å; N67-E151 WeakPolarHBondContact CA-OE1 3.33Å; N67-E151 PolarHBondContact N-OE1 3.36Å; F68-E151 PolarHBondContact N-OE1 3.27Å; I70-E151 HydrophobicContact CG2-CB 3.94Å; T124-E151 WeakPolarHBondContact CB-OE1 3.39Å; T124-E151 WeakPolarHBondContact CB-OE2 3.3Å; T124-E151 HydrophobicContact CG2-CB 4.35Å; T124-E151 HydrophobicContact CG2-CG 4.36Å; T124-E151 WeakPolarHBondContact CG2-OE2 3.19Å; T124-E151 VanDerWaalsContact OG1-CD 3.23Å; T124-E151 PolarHBondContact OG1-OE1 3.04Å; T124-E151 PolarHBondContact OG1-OE2 2.77Å; V147-E151 PolarHBondContact O-N 3.25Å; S148-E151 PolarHBondContact O-N 3.33Å; E149-E151 VanDerWaalsContact C-N 3.31Å; E149-E151 PolarHBondContact O-N 3.1Å; E151-Q153 PolarHBondContact O-N 3.4Å
152S97.9Very high97.4Very high50 Ų5054.3 Ų54.335%0.3530%0.295SS..Hα-helixtrans-67.6-19.4-176.9850000113.1K66 S148 E149 I150K66-S152 WeakPolarHBondContact CE-O 2.99Å; K66-S152 PolarHBondContact NZ-O 3.1Å; S148-S152 WeakPolarHBondContact O-CB 3.14Å; S148-S152 PolarHBondContact O-N 3.13Å; E149-S152 PolarHBondContact O-N 3.45Å; E149-S152 PolarHBondContact O-OG 2.8Å; E149-S152 PolarHBondContact OE2-OG 3.5Å; I150-S152 VanDerWaalsContact C-N 3.31Å; I150-S152 PolarHBondContact O-N 3.44Å
153Q98Very high97.4Very high10 Ų1060.3 Ų60.35%0.04731%0.311CS..SBendtrans-55.6146-174.9-62-49.8-64.300112.8I12 K66 E149 I150 E151 V155 P162 V166I12-Q153 HydrophobicContact CD1-CG 4.06Å; K66-Q153 WeakPolarHBondContact CE-O 3.44Å; E149-Q153 WeakPolarHBondContact O-CG 3.43Å; E149-Q153 PolarHBondContact O-NE2 2.67Å; E149-Q153 PolarHBondContact OE1-NE2 2.99Å; I150-Q153 WeakPolarHBondContact O-CB 3.32Å; I150-Q153 VanDerWaalsContact O-CG 3.32Å; I150-Q153 WeakPolarHBondContact O-CG 3.24Å; I150-Q153 PolarHBondContact O-N 2.82Å; E151-Q153 PolarHBondContact O-N 3.4Å; Q153-V155 PolarHBondContact O-N 3.09Å; Q153-P162 HydrophobicContact CB-CB 4.34Å; Q153-V166 HydrophobicContact CG-CG2 4.39Å
154K97.6Very high97.4Very high169 Ų16966.1 Ų66.174%0.73533%0.33SS*.  trans-70.5131.5171.9-68-177179.2179.20109.1P162 Y163K154-P162 WeakPolarHBondContact O-CA 3.43Å; K154-Y163 HydrophobicContact CB-CD2 3.93Å; K154-Y163 HydrophobicContact CB-CE2 4.47Å; K154-Y163 WeakPolarHBondContact O-CD2 3.26Å; K154-Y163 PolarHBondContact O-N 3.13Å
155V97.7Very high97.3Very high23 Ų2366.1 Ų66.114%0.13933%0.334CS..EExtended strand (participates in β ladder)trans-116.5153.9-179-58.40000111.7V64 Q153 L157 R161 P162 Y163V64-V155 HydrophobicContact CB-CG1 3.93Å; V64-V155 HydrophobicContact CG1-CG1 4.23Å; Q153-V155 PolarHBondContact O-N 3.09Å; V155-L157 PolarHBondContact O-N 3.33Å; V155-R161 CarbonylContact C-O 3.59Å; V155-R161 VanDerWaalsContact CA-O 3.22Å; V155-R161 WeakPolarHBondContact CA-O 3.3Å; V155-R161 WeakPolarHBondContact CB-O 3.24Å; V155-P162 HydrophobicContact CG1-CG 4.34Å; V155-Y163 WeakPolarHBondContact O-CE2 3.2Å
156N96.7Very high97.3Very high56 Ų5660.5 Ų60.530%0.29930%0.304SS..EExtended strand (participates in β ladder)trans-69.5116.9162.6179.9-44.7000108.8S158 T159 N160 R161 Y163N156-S158 PolarHBondContact O-N 3.5Å; N156-S158 VanDerWaalsContact O-N 3.14Å; N156-S158 WeakPolarHBondContact OD1-CB 3.25Å; N156-S158 PolarHBondContact OD1-N 3.26Å; N156-S158 PolarHBondContact OD1-OG 3.22Å; N156-T159 PolarHBondContact O-N 2.75Å; N156-N160 VanDerWaalsContact O-CA 3.25Å; N156-N160 WeakPolarHBondContact O-CA 3.35Å; N156-N160 PolarHBondContact O-N 3.25Å; N156-R161 PolarHBondContact N-O 3.24Å; N156-Y163 HydrophobicContact CB-CE1 4.32Å
157L92.8Very high97.3Very high154 Ų15461.7 Ų61.781%0.80631%0.311SS*.THydrogen-bonded Turntrans-61.4-24.5-174.6-61.8177.5000114.2V155V155-L157 PolarHBondContact O-N 3.33Å
158S94Very high97.3Very high95 Ų9561.7 Ų61.766%0.66431%0.311SS*.THydrogen-bonded Turntrans-78.6-30.9179.869.70000113.3N156N156-S158 PolarHBondContact O-N 3.5Å; N156-S158 VanDerWaalsContact O-N 3.14Å; N156-S158 WeakPolarHBondContact OD1-CB 3.25Å; N156-S158 PolarHBondContact OD1-N 3.26Å; N156-S158 PolarHBondContact OD1-OG 3.22Å
159T94.6Very high97.3Very high64 Ų6462 Ų6239%0.39331%0.31SS..THydrogen-bonded Turntrans-115.1-13.4-175.255.70000113.2N156 R161N156-T159 PolarHBondContact O-N 2.75Å; T159-R161 PolarHBondContact O-N 2.85Å; T159-R161 WeakPolarHBondContact OG1-CB 3.38Å; T159-R161 PolarHBondContact OG1-N 3.48Å
160N97Very high97.3Very high31 Ų3162.7 Ų62.717%0.16631%0.313CS..THydrogen-bonded Turntrans5720.9-167.4-58.8-69000113.5R63 V64 I65 N156R63-N160 CarbonylContact C-O 3.54Å; R63-N160 WeakPolarHBondContact CA-O 3.43Å; R63-N160 HydrophobicContact CG-CB 3.82Å; V64-N160 PolarHBondContact N-O 2.95Å; I65-N160 HydrophobicContact CG1-CB 4.13Å; N156-N160 VanDerWaalsContact O-CA 3.25Å; N156-N160 WeakPolarHBondContact O-CA 3.35Å; N156-N160 PolarHBondContact O-N 3.25Å
161R97.5Very high97.3Very high77 Ų7763.2 Ų63.229%0.29132%0.317SS..EExtended strand (participates in β ladder)trans-81.1131.5176.6-171.7-173.8-177.288.8-2.2110.3H62 G78 V155 N156 T159H62-R161 WeakPolarHBondContact O-CA 3.48Å; H62-R161 WeakPolarHBondContact O-CG 3.19Å; G78-R161 PolarHBondContact O-NH1 2.86Å; V155-R161 CarbonylContact C-O 3.59Å; V155-R161 VanDerWaalsContact CA-O 3.22Å; V155-R161 WeakPolarHBondContact CA-O 3.3Å; V155-R161 WeakPolarHBondContact CB-O 3.24Å; N156-R161 PolarHBondContact N-O 3.24Å; T159-R161 PolarHBondContact O-N 2.85Å; T159-R161 WeakPolarHBondContact OG1-CB 3.38Å; T159-R161 PolarHBondContact OG1-N 3.48Å
162P98Very high97.3Very high5 Ų562.1 Ų62.13%0.03231%0.312CS..EExtended strand (participates in β ladder)trans-54.7141.5168.6-26.636.5000112.2V64 Q153 K154 V155 R164 V166V64-P162 HydrophobicContact CB-CG 4.08Å; V64-P162 HydrophobicContact CG2-CG 3.55Å; Q153-P162 HydrophobicContact CB-CB 4.34Å; K154-P162 WeakPolarHBondContact O-CA 3.43Å; V155-P162 HydrophobicContact CG1-CG 4.34Å; P162-R164 VanDerWaalsContact C-N 3.3Å; P162-R164 WeakPolarHBondContact CB-O 3.49Å; P162-V166 HydrophobicContact CB-CG2 4.2Å; P162-V166 HydrophobicContact CG-CG2 4.31Å
163Y97.9Very high97.3Very high161 Ų16161.6 Ų61.663%0.63130%0.304SS*.SBendtrans-69.4-33172.6-75.3-69.7000112.3K154 V155 N156K154-Y163 HydrophobicContact CB-CD2 3.93Å; K154-Y163 HydrophobicContact CB-CE2 4.47Å; K154-Y163 WeakPolarHBondContact O-CD2 3.26Å; K154-Y163 PolarHBondContact O-N 3.13Å; V155-Y163 WeakPolarHBondContact O-CE2 3.2Å; N156-Y163 HydrophobicContact CB-CE1 4.32Å
164R97.9Very high97.1Very high132 Ų13261.6 Ų61.650%0.49830%0.304SS..SBendtrans-88.3145.9176.4-62.6-169.3170.4164.2-5.8110.2I12 D13 P162 V166I12-R164 HydrophobicContact CG2-CB 3.58Å; I12-R164 HydrophobicContact CG2-CG 4.27Å; D13-R164 WeakPolarHBondContact OD1-CA 3.43Å; D13-R164 WeakPolarHBondContact OD1-CB 3.35Å; D13-R164 WeakPolarHBondContact OD2-CB 3.2Å; D13-R164 WeakPolarHBondContact OD2-CD 3.46Å; D13-R164 WeakPolarHBondContact OD2-CG 3.14Å; D13-R164 IonicContact OD2-NE 3.56Å; P162-R164 VanDerWaalsContact C-N 3.3Å; P162-R164 WeakPolarHBondContact CB-O 3.49Å; R164-V166 PolarHBondContact O-N 2.98Å
165D97.4Very high96.5Very high85 Ų8555.6 Ų55.646%0.45528%0.281SS..  trans-78.9107.6179.4-82-33.1000110.1I12 D13 V167I12-D165 WeakPolarHBondContact CA-O 3.43Å; D13-D165 PolarHBondContact N-O 2.75Å; D13-D165 PolarHBondContact OD1-N 3.39Å; D165-V167 HydrophobicContact CB-CG2 4.14Å
166V98.5Very high95.7Very high1 Ų158.7 Ų58.71%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-93.1103.4174.8-173.40000109I10 A11 I12 T60 F61 I150 Q153 P162 R164I10-V166 HydrophobicContact CG2-CG1 3.77Å; A11-V166 WeakPolarHBondContact O-CA 3.46Å; I12-V166 HydrophobicContact CD1-CG2 4.39Å; I12-V166 HydrophobicContact CG1-CG1 4.44Å; I12-V166 HydrophobicContact CG1-CG2 4.2Å; T60-V166 CarbonylContact C-O 3.54Å; T60-V166 WeakPolarHBondContact CA-O 3.21Å; T60-V166 VanDerWaalsContact CB-O 3.24Å; T60-V166 WeakPolarHBondContact CB-O 3.44Å; F61-V166 HydrophobicContact CB-CB 4.14Å; F61-V166 HydrophobicContact CB-CG1 4.02Å; F61-V166 HydrophobicContact CD2-CG1 3.84Å; F61-V166 HydrophobicContact CG-CG1 4.29Å; F61-V166 PolarHBondContact N-O 3.18Å; I150-V166 HydrophobicContact CB-CG1 4.46Å; I150-V166 HydrophobicContact CD1-CG1 4.09Å; I150-V166 HydrophobicContact CG1-CG1 3.79Å; I150-V166 HydrophobicContact CG2-CG1 3.88Å; I150-V166 HydrophobicContact CG2-CG2 4.43Å; Q153-V166 HydrophobicContact CG-CG2 4.39Å; P162-V166 HydrophobicContact CB-CG2 4.2Å; P162-V166 HydrophobicContact CG-CG2 4.31Å; R164-V166 PolarHBondContact O-N 2.98Å
167V98.6Very high94.6Very high30 Ų3063.6 Ų63.618%0.18232%0.316CS..EExtended strand (participates in β ladder)trans-114.2140.4-168.3-172.20000111.5I10 A11 T60 D165 V169I10-V167 WeakPolarHBondContact CA-O 3.5Å; A11-V167 PolarHBondContact N-O 3.26Å; A11-V167 PolarHBondContact O-N 2.84Å; T60-V167 HydrophobicContact CG2-CG2 4.09Å; D165-V167 HydrophobicContact CB-CG2 4.14Å; V167-V169 PolarHBondContact O-N 3.3Å
168I98.7Very high93.2Very high0 Ų059.3 Ų59.30%031%0.31CS..EExtended strand (participates in β ladder)trans-81.399.1166.3-58.3173.1000108.2M8 D9 I10 G58 S59 F61 F120 C171M8-I168 HydrophobicContact CB-CG2 4.15Å; M8-I168 HydrophobicContact CE-CD1 4.1Å; M8-I168 HydrophobicContact CG-CD1 4.4Å; M8-I168 HydrophobicContact CG-CG2 4.04Å; M8-I168 HydrophobicContact SD-CD1 3.64Å; M8-I168 HydrophobicContact SD-CG1 4.27Å; D9-I168 CarbonylContact O-C 3.58Å; I10-I168 HydrophobicContact CD1-CB 4.48Å; I10-I168 HydrophobicContact CD1-CG1 3.91Å; G58-I168 PolarHBondContact N-O 3.08Å; S59-I168 PolarHBondContact O-N 3.02Å; F61-I168 HydrophobicContact CD2-CG1 4.47Å; F61-I168 HydrophobicContact CE2-CD1 4.22Å; F61-I168 HydrophobicContact CE2-CG1 3.92Å; F120-I168 HydrophobicContact CZ-CD1 4.49Å; I168-C171 HydrophobicContact CG2-CB 3.84Å
169V98.2Very high91.3Very high57 Ų5764.6 Ų64.635%0.34532%0.321SS..EExtended strand (participates in β ladder)trans-76.8-41.4-175.8-1740000111.6D9 A11 K57 V167D9-V169 PolarHBondContact O-N 3.37Å; A11-V169 HydrophobicContact CB-CG2 3.42Å; A11-V169 VanDerWaalsContact CB-CG2 3.42Å; K57-V169 WeakPolarHBondContact CE-O 3.45Å; K57-V169 WeakPolarHBondContact CG-O 3.32Å; V167-V169 PolarHBondContact O-N 3.3Å
170H97.9Very high89.3Confident93 Ų9372.5 Ų72.543%0.43134%0.343SS..EExtended strand (participates in β ladder)trans-137.5149.7173-62.7-83.6000109.5F7 M8 D9F7-H170 HydrophobicContact CE2-CB 4.32Å; M8-H170 CarbonylContact C-O 3.54Å; M8-H170 WeakPolarHBondContact CA-O 3.38Å; D9-H170 HydrophobicContact CB-CB 4.05Å; D9-H170 PolarHBondContact N-O 3Å
171C98.4Very high87Confident12 Ų1282 Ų828%0.08138%0.377CS..EExtended strand (participates in β ladder)trans-151.8161.4172.453.80000109.2F7 M8 C40 K57 I168F7-C171 WeakPolarHBondContact O-CA 3.33Å; F7-C171 WeakPolarHBondContact O-CB 3.37Å; M8-C171 HydrophobicContact CG-CB 4Å; C40-C171 CarbonylContact O-C 3.51Å; C40-C171 PolarHBondContact O-SG 3.46Å; K57-C171 PolarHBondContact N-SG 2.9Å; K57-C171 VanDerWaalsContact N-SG 3.39Å; I168-C171 HydrophobicContact CG2-CB 3.84Å
172G97.9Very high84.8Confident0 Ų083.4 Ų83.40%040%0.396CS..EExtended strand (participates in β ladder)trans171.2-174.9179.300000112.6C6 F7 C40C6-G172 CarbonylContact C-O 3.57Å; C6-G172 VanDerWaalsContact CA-O 3.23Å; C6-G172 WeakPolarHBondContact CA-O 3.43Å; C6-G172 WeakPolarHBondContact CB-O 3.48Å; F7-G172 VanDerWaalsContact CD1-O 3.31Å; F7-G172 WeakPolarHBondContact CD1-O 3.33Å; F7-G172 PolarHBondContact N-O 2.87Å; F7-G172 PolarHBondContact O-N 2.95Å; C40-G172 WeakPolarHBondContact O-CA 3.27Å; C40-G172 PolarHBondContact O-N 3.06Å
173Q97.5Very high82.4Confident38 Ų3888.7 Ų88.718%0.17843%0.433CS..EExtended strand (participates in β ladder)trans-93.6134.6174.7-175.3177.7-0.400110.1R5 R37 T41R5-Q173 WeakPolarHBondContact O-CG 3.41Å; R37-Q173 HydrophobicContact CG-CG 4.42Å; R37-Q173 VanDerWaalsContact NH1-OE1 3.16Å; T41-Q173 HydrophobicContact CG2-CB 3.83Å
174L93.9Very high80.3Confident10 Ų1089.7 Ų89.75%0.05244%0.441CS..EExtended strand (participates in β ladder)trans-87.6121.4168.9-60.9179.9000109.2R5 F7 V21 Y279R5-L174 HydrophobicContact CB-CB 4.08Å; R5-L174 HydrophobicContact CB-CD1 4.45Å; R5-L174 PolarHBondContact O-N 3.06Å; F7-L174 HydrophobicContact CB-CD1 4.34Å; F7-L174 HydrophobicContact CB-CD2 4.22Å; F7-L174 HydrophobicContact CB-CG 4.19Å; F7-L174 HydrophobicContact CD1-CD2 3.37Å; F7-L174 HydrophobicContact CD1-CG 3.83Å; F7-L174 HydrophobicContact CE1-CD2 3.99Å; F7-L174 HydrophobicContact CG-CD2 4.01Å; F7-L174 HydrophobicContact CG-CG 4.41Å; V21-L174 HydrophobicContact CG1-CD1 3.53Å; V21-L174 HydrophobicContact CG2-CD1 4.16Å; L174-Y279 HydrophobicContact CB-CD1 4.1Å; L174-Y279 HydrophobicContact CB-CG 4.36Å; L174-Y279 HydrophobicContact CD1-CD2 4.49Å; L174-Y279 HydrophobicContact CD1-CG 4.31Å; L174-Y279 HydrophobicContact CD2-CG 4.41Å
175V86.5Confident77.9Confident43 Ų4387.9 Ų87.926%0.26145%0.449SS..EExtended strand (participates in β ladder)trans-102.7138.2173.1-67.60000110.7R177 L282V175-R177 PolarHBondContact O-N 2.85Å; V175-L282 HydrophobicContact CG1-CD1 3.68Å; V175-L282 HydrophobicContact CG2-CD1 4.02Å; V175-L282 HydrophobicContact CG2-CG 4.19Å
176P79.8Confident75.4Confident88 Ų8891.8 Ų91.857%0.57147%0.469SS*.EExtended strand (participates in β ladder)trans-57.2128.5170.8-22.232.7000110.1G178P176-G178 PolarHBondContact O-N 3.38Å
177R73.5Confident72.8Confident159 Ų15999.5 Ų99.560%0.651%0.505SS*.PPolyproline II helixtrans-66.9120.4167.2-80.5-173172.4-121.1-0.7108.1V175 V280V175-R177 PolarHBondContact O-N 2.85Å; R177-V280 HydrophobicContact CG-CG2 3.69Å
178G64.7Low69.9Low65 Ų65107.2 Ų107.267%0.6754%0.539SS*.PPolyproline II helixtrans-54.3143.2168.800000110.7P176 R180P176-G178 PolarHBondContact O-N 3.38Å; G178-R180 PolarHBondContact O-N 3.35Å
179K53.7Low67Low206 Ų206118.8 Ų118.890%0.89658%0.583SS**  trans-57.7108.7172.6-69-179.4-178.7177.60107.6R181K179-R181 PolarHBondContact O-N 3.49Å
180R52.6Low64.5Low229 Ų229121.8 Ų121.886%0.86460%0.604SS**  trans-58.6114.5166-75.4-178.174.2173.83.3106.3G178G178-R180 PolarHBondContact O-N 3.35Å
181R48Very low61.9Low232 Ų232124.8 Ų124.888%0.87562%0.623SS**  trans-60.2129.2165.8-68.3-179.981175.83.8106.4K179 S183K179-R181 PolarHBondContact O-N 3.49Å; R181-S183 PolarHBondContact O-N 2.77Å; R181-S183 VanDerWaalsContact O-N 3.14Å
182P50.6Low59.5Low105 Ų105136 Ų13668%0.68266%0.664SS**  trans-57.9120.1166.9-17.129.3000107.4F184P182-F184 HydrophobicContact CB-CE2 4.43Å; P182-F184 PolarHBondContact O-N 3.1Å; P182-F184 VanDerWaalsContact O-N 3.11Å
183S49.4Very low57Low116 Ų116143.6 Ų143.681%0.81170%0.697SS**  trans-68.4102.3163.7490000106.5R181 S185R181-S183 PolarHBondContact O-N 2.77Å; R181-S183 VanDerWaalsContact O-N 3.14Å; S183-S185 PolarHBondContact O-N 2.82Å
184F52Low54.4Low183 Ų183151.9 Ų151.980%0.80373%0.726SS**  trans-69.4108.3162.9-83.6-92.1000106.6P182 N186P182-F184 HydrophobicContact CB-CE2 4.43Å; P182-F184 PolarHBondContact O-N 3.1Å; P182-F184 VanDerWaalsContact O-N 3.11Å; F184-N186 PolarHBondContact O-N 2.89Å
185S47.3Very low52.1Low94 Ų94161.1 Ų161.166%0.65777%0.767SS**  trans-66.2124.9158.944.40000107.1S183 E187S183-S185 PolarHBondContact O-N 2.82Å; S185-E187 PolarHBondContact O-N 3.48Å
186N45.1Very low50Low167 Ų167163.7 Ų163.789%0.89379%0.792SS**  trans-64.787.7166.9-81.1-9.5000107.9F184F184-N186 PolarHBondContact O-N 2.89Å
187E44.4Very low48.6Very low163 Ų163164 Ų16476%0.76280%0.797SS**  trans-103.9113.8157.3-74.8-168.515900107.2S185 W189S185-E187 PolarHBondContact O-N 3.48Å; E187-W189 PolarHBondContact O-N 3.26Å
188E37.5Very low47.4Very low191 Ų191163.3 Ų163.389%0.89381%0.805SS**PPolyproline II helixtrans-47.8120.5179.4-68.8169.5133.500111.2
189W37.9Very low46.8Very low243 Ų243165 Ų16592%0.9281%0.812SS**PPolyproline II helixtrans-88.8127.4165.1-89.741000108.9E187E187-W189 PolarHBondContact O-N 3.26Å
190P45.4Very low46.2Very low121 Ų121166.3 Ų166.379%0.78681%0.813SS**PPolyproline II helixtrans-71.9139.717947.5000111.2R192P190-R192 PolarHBondContact O-N 2.77Å
191D44.2Very low45.8Very low155 Ų155159.1 Ų159.183%0.82981%0.81SS**  trans-41.4120.2173.2-83.6-39.7000113.3
192R48.1Very low45.8Very low247 Ų247157.2 Ų157.293%0.93281%0.811SS**  trans-123.288.4158.9-131.7-177.5-99.7-141.3-0.6110.5P190P190-R192 PolarHBondContact O-N 2.77Å
193K45.6Very low45.4Very low160 Ų160155.8 Ų155.870%0.69682%0.816SS**  trans-58.5146.6161.8-77.4174.4173.2166.60110.8
194R42.2Very low45Very low212 Ų212161.8 Ų161.880%0.882%0.821SS**  trans73.6118.2165.2-54.9159.9-166-171.73.6111.5
195F44.8Very low45.1Very low205 Ų205159.2 Ų159.290%0.89982%0.822SS**  -147.8130.156-81.7-98.8000110.9
196A43.2Very low44.7Very low97 Ų97166 Ų16680%0.80283%0.834SS**  trans-94.8126.6155.500000106.7
197S51.4Low44.9Very low94 Ų94162 Ų16266%0.65782%0.823SS**  175.9145.2125.173.60000110.5
198D47.6Very low44.7Very low145 Ų145162.1 Ų162.178%0.77583%0.829SS**  trans71.8103.7149.7-43.6-35.1000119.7
199A51.4Low44.8Very low100 Ų100156.3 Ų156.383%0.82682%0.821SS**  166.7121.295.800000111.3
200Y40.7Very low44.7Very low234 Ų234148.5 Ų148.592%0.91882%0.816SS**  trans-58.7135.3165.1-104.2-112.9000111
201G44.1Very low44.5Very low77 Ų77151.7 Ų151.779%0.79482%0.818SS**  trans-163.9102.8170.700000111.7
202Q48.2Very low44Very low192 Ų192149.7 Ų149.790%0.89782%0.816SS**  trans-70.8147.9-175-58.5177.720.500112.6
203G42.7Very low43.6Very low76 Ų76146.5 Ų146.578%0.78481%0.809SS**  trans171.285.2166.100000113.8
204R42Very low43.1Very low242 Ų242144.5 Ų144.591%0.91381%0.812SS**  trans-92.7144.4161.3-69.3-173-176.4-168.42.7109.2
205P53.4Low42.7Very low129 Ų129145.3 Ų145.384%0.83882%0.815SS**  trans-106.9141.3144712.5000111.1
206R39.5Very low42.3Very low237 Ų237144.1 Ų144.189%0.89481%0.813SS**  trans-89.3170.3168.9-81.1-179.5167.9174.4-2.9110.6
207A49.6Very low41.9Very low82 Ų82146.9 Ų146.968%0.67881%0.811SS**  trans81.6147.6153.100000116.3
208D40Very low41.5Very low165 Ų165147.5 Ų147.588%0.88281%0.813SS**  cis-171.7144.8-19.9-95.2-33.4000102.7
209G39.5Very low41.3Very low69 Ų69149.6 Ų149.671%0.71182%0.818SS**  trans-172.853.3-175.900000113.3F211G209-F211 PolarHBondContact O-N 3.5Å
210G35.7Very low40.8Very low80 Ų80152.9 Ų152.983%0.82582%0.816SS**  trans-71.8112.217000000110.6
211F39.8Very low41.1Very low188 Ų188143.5 Ų143.583%0.82578%0.784SS**  trans-82.1109.7166.6-100.8-96.7000109.5G209G209-F211 PolarHBondContact O-N 3.5Å
212S34.2Very low41Very low113 Ų113146.9 Ų146.979%0.7978%0.777SS**PPolyproline II helixtrans-90.8120.8164.947.50000109.3
213F39.5Very low41.1Very low180 Ų180142 Ų14279%0.78977%0.769SS**PPolyproline II helixtrans-87.1134.1167.7-77.8-86.3000109.4R215F213-R215 PolarHBondContact O-N 3.27Å
214P36Very low41.6Very low117 Ų117147.2 Ų147.276%0.7677%0.773SS**PPolyproline II helixtrans-70.5120.5174.528.9-30.7000109Q216P214-Q216 VanDerWaalsContact C-N 3.32Å; P214-Q216 PolarHBondContact O-N 3.4Å; P214-Q216 VanDerWaalsContact O-N 3.12Å
215R34.5Very low41.8Very low229 Ų229142.6 Ų142.686%0.86476%0.762SS**  trans-82.877.1174.6-156.5-179.3-156-144.13.5108.5F213 M217F213-R215 PolarHBondContact O-N 3.27Å; R215-M217 PolarHBondContact O-N 3.3Å
216Q34.7Very low41.3Very low181 Ų181137.8 Ų137.885%0.84673%0.729SS**PPolyproline II helixtrans-71.5118.2162.5-86.5178.3-11.700107.7P214P214-Q216 VanDerWaalsContact C-N 3.32Å; P214-Q216 PolarHBondContact O-N 3.4Å; P214-Q216 VanDerWaalsContact O-N 3.12Å
217M35.9Very low41.6Very low154 Ų154128.8 Ų128.876%0.75970%0.701SS**PPolyproline II helixtrans-64.7135.7170.2-68.3-162.4127.300108.3R215 E219R215-M217 PolarHBondContact O-N 3.3Å; M217-E219 PolarHBondContact O-N 3.04Å
218P42.6Very low41.6Very low107 Ų107130.4 Ų130.470%0.69570%0.704SS**PPolyproline II helixtrans-61.6130.5171.9-1024.3000108.1E220P218-E220 PolarHBondContact O-N 3.5Å
219E43.7Very low42.2Very low189 Ų189125.6 Ų125.688%0.88368%0.681SS**PPolyproline II helixtrans-55.1132.1169.8-71-172.5156.500109.3M217M217-E219 PolarHBondContact O-N 3.04Å
220E41Very low42.5Very low170 Ų170124.7 Ų124.779%0.79466%0.663SS**PPolyproline II helixtrans-58.5125.1176.1-73.9-178.5162.500109.2P218 K222P218-E220 PolarHBondContact O-N 3.5Å; E220-K222 PolarHBondContact O-N 3.14Å
221P46.9Very low42.9Very low37 Ų37129.3 Ų129.324%0.2466%0.66CS.*PPolyproline II helixtrans-62.4128.7175.124.1-30.5000108.8P126 A223 I226P126-P221 HydrophobicContact CB-CG 3.92Å; P126-P221 HydrophobicContact CG-CG 4.28Å; P221-A223 PolarHBondContact O-N 2.79Å; P221-I226 HydrophobicContact CG-CD1 4.39Å
222K42.2Very low43Very low148 Ų148123.6 Ų123.664%0.64364%0.638SS**PPolyproline II helixtrans-56.2136.3174.8-67.9177.7-179.1173.60108.4E220 E224 E225E220-K222 PolarHBondContact O-N 3.14Å; K222-E224 PolarHBondContact O-N 2.79Å; K222-E225 PolarHBondContact O-N 2.76Å
223A49.7Very low43.3Very low89 Ų89129.1 Ų129.174%0.73664%0.642SS**G310 helixtrans-53.6-23.9-176.800000113.7P221P221-A223 PolarHBondContact O-N 2.79Å
224E53.8Low43.1Very low185 Ų185128.6 Ų128.686%0.86464%0.64SS**G310 helixtrans-72.2-23.3177.2-63.8166.7-172.300114.2K222K222-E224 PolarHBondContact O-N 2.79Å
225E45.5Very low43.2Very low146 Ų146127.4 Ų127.468%0.68263%0.626SS**G310 helixtrans-85.9-12.8179.5-70.2-176.5177.800113.2K222 P227K222-E225 PolarHBondContact O-N 2.76Å; E225-P227 WeakPolarHBondContact O-CD 3.47Å
226I42.6Very low43.1Very low28 Ų28125.4 Ų125.414%0.14462%0.624CS.*SBendtrans-88.2116.8-179.6-55.8178.9000108.1H129 P221H129-I226 WeakPolarHBondContact CE1-CG2 3.45Å; P221-I226 HydrophobicContact CG-CD1 4.39Å
227P46.6Very low42.8Very low47 Ų47128.4 Ų128.431%0.30563%0.628SS.*PPolyproline II helixtrans-60.4135.5177.225.3-32.7000109.5I65 F68 E225 V229I65-P227 HydrophobicContact CG2-CG 4.11Å; F68-P227 HydrophobicContact CB-CG 4.34Å; E225-P227 WeakPolarHBondContact O-CD 3.47Å; P227-V229 PolarHBondContact O-N 3.17Å
228P49.5Very low42.6Very low116 Ų116125.4 Ų125.475%0.75362%0.622SS**PPolyproline II helixtrans-58.2132.2178.324.6-33.5000108.8P230P228-P230 WeakPolarHBondContact O-CD 3.3Å
229V51.4Low42.1Very low64 Ų64125.8 Ų125.839%0.38863%0.627SS.*  trans-53.7113.2176.3-176.10000107.7F68 L130 P227 F231F68-V229 HydrophobicContact CE1-CG2 4.02Å; F68-V229 HydrophobicContact CZ-CG2 3.8Å; L130-V229 HydrophobicContact CD2-CG2 3.84Å; P227-V229 PolarHBondContact O-N 3.17Å; V229-F231 PolarHBondContact O-N 3.12Å; V229-F231 VanDerWaalsContact O-N 3.1Å
230P46.7Very low41.8Very low51 Ų51125.4 Ų125.433%0.33162%0.623SS.*  trans-60.1125-176.6-17.422.7000109.1R63 I65 P228 N232R63-P230 VanDerWaalsContact NH2-CB 3.29Å; R63-P230 PolarHBondContact NH2-O 3.09Å; I65-P230 HydrophobicContact CD1-CG 3.79Å; P228-P230 WeakPolarHBondContact O-CD 3.3Å; P230-N232 PolarHBondContact O-N 3.29Å
231F44.6Very low41.3Very low177 Ų177122.1 Ų122.178%0.77662%0.618SS**  trans-59.6135177-147.6-91.1000109.2V229 R233V229-F231 PolarHBondContact O-N 3.12Å; V229-F231 VanDerWaalsContact O-N 3.1Å; F231-R233 VanDerWaalsContact C-N 3.33Å; F231-R233 PolarHBondContact O-N 3.02Å
232N41.9Very low41.1Very low68 Ų68126.4 Ų126.436%0.36465%0.646SS.*  trans-65.390.7175.9-88.9-25000110.2P230 F234 L235P230-N232 PolarHBondContact O-N 3.29Å; N232-F234 PolarHBondContact O-N 3.31Å; N232-F234 VanDerWaalsContact O-N 3.1Å; N232-L235 HydrophobicContact CB-CD1 3.67Å; N232-L235 HydrophobicContact CB-CG 4.44Å
233R39.4Very low40.9Very low228 Ų228128.4 Ų128.486%0.8666%0.658SS**THydrogen-bonded Turntrans-68.5-5.6-173.3-113-179.2174.4173-1.2115.4F231F231-R233 VanDerWaalsContact C-N 3.33Å; F231-R233 PolarHBondContact O-N 3.02Å
234F35.9Very low40.2Very low170 Ų170127.4 Ų127.475%0.74666%0.656SS**THydrogen-bonded Turntrans-103.211.6-173.8-64.9-76000114.9N232N232-F234 PolarHBondContact O-N 3.31Å; N232-F234 VanDerWaalsContact O-N 3.1Å
235L38.2Very low39.4Very low92 Ų92130.7 Ų130.748%0.48266%0.661SS.*  trans-95.7-5.3-175.9-77.6164.2000115.2N232 R237N232-L235 HydrophobicContact CB-CD1 3.67Å; N232-L235 HydrophobicContact CB-CG 4.44Å; L235-R237 PolarHBondContact O-N 3.15Å
236F31.1Very low38.9Very low187 Ų187136 Ų13682%0.8267%0.674SS**  trans-98.364.1171.5-73.8-78.5000111.8S238F236-S238 PolarHBondContact O-N 2.97Å
237R29.4Very low38.8Very low244 Ų244138 Ų13892%0.92170%0.703SS**  trans-88.590.9147.3-115.5-175.9-179.8-1701106.5L235 S239L235-R237 PolarHBondContact O-N 3.15Å; R237-S239 PolarHBondContact O-N 3.04Å; R237-S239 VanDerWaalsContact O-N 3.13Å
238S32.1Very low38.5Very low91 Ų91142.5 Ų142.564%0.63672%0.724SS**  trans-43.8120.7160.7175.50000107.6F236 K240F236-S238 PolarHBondContact O-N 2.97Å; S238-K240 PolarHBondContact O-N 2.89Å
239S31.1Very low38Very low114 Ų114148.5 Ų148.580%0.79773%0.733SS**  trans-63.277162.943.30000108.1R237 S241R237-S239 PolarHBondContact O-N 3.04Å; R237-S239 VanDerWaalsContact O-N 3.13Å; S239-S241 PolarHBondContact O-N 2.92Å
240K37.1Very low37.5Very low182 Ų182156.4 Ų156.479%0.79176%0.756SS**  trans-70.195.3154.3-76-167.7177.6-175.60105.9S238 P242S238-K240 PolarHBondContact O-N 2.89Å; K240-P242 VanDerWaalsContact O-CD 3.29Å; K240-P242 WeakPolarHBondContact O-CD 3.21Å
241S31.3Very low37.1Very low101 Ų101161.3 Ų161.371%0.70678%0.78SS**  trans-46.9120.4162.135.70000109.7S239 Q243S239-S241 PolarHBondContact O-N 2.92Å; S241-Q243 PolarHBondContact O-N 3.01Å
242P42.3Very low36.9Very low127 Ų127163.7 Ų163.783%0.82578%0.784SS**  trans-85.389161.44.115.6000106.8K240 G244K240-P242 VanDerWaalsContact O-CD 3.29Å; K240-P242 WeakPolarHBondContact O-CD 3.21Å; P242-G244 PolarHBondContact O-N 3.26Å
243Q38Very low37Very low190 Ų190166.6 Ų166.689%0.88880%0.799SS**  trans-64.5123.8154.9-90.3-179.4-9.700107.7S241S241-Q243 PolarHBondContact O-N 3.01Å
244G35Very low37.1Very low68 Ų68160.3 Ų160.370%0.70179%0.79SS**  trans89.895.7159.400000115.4P242P242-G244 PolarHBondContact O-N 3.26Å
245R37.2Very low37.4Very low253 Ų253163.6 Ų163.696%0.95580%0.798SS**  -161.7104.7125-103.1172-153.9-151.26.2109.2
246R34.8Very low37.4Very low257 Ų257165.4 Ų165.497%0.9782%0.815SS**  trans-63.2140162.1-71.5177.1171.3-178.4-3.3108.4
247G41.2Very low37.7Very low72 Ų72165.8 Ų165.874%0.74282%0.821SS**  trans-167.8102.1172.300000109.9
248D40.8Very low37.9Very low141 Ų141165.3 Ų165.375%0.75482%0.82SS**  trans-53.1136.2176.9-70.4-58.3000113.5
249Y39.5Very low38.1Very low241 Ų241168.6 Ų168.695%0.94582%0.824SS**  trans-141.4116.9144.7-84.9-76.6000110.6
250R40.2Very low38.1Very low230 Ų230172.6 Ų172.687%0.86882%0.822SS**  trans-82.3142.8179.5-70.8175.6173.3175.8-2.9111.4
251N38.5Very low37.9Very low154 Ų154170.8 Ų170.882%0.82482%0.821SS**  trans34.3123.5139.6-99-10.1000121.1
252R40.7Very low37.7Very low228 Ų228174.4 Ų174.486%0.8682%0.824SS**  -176.2108.4127.1-105179.7176.5176.32.2108.1
253D43.2Very low37.3Very low129 Ų129178.9 Ų178.969%0.6983%0.827SS**  88.7111.590.4-87-27.8000114
254S41.8Very low37Very low96 Ų96174.4 Ų174.467%0.67182%0.816SS**  trans68.4109.2131.9-26.40000120.6
255R41.9Very low37Very low239 Ų239179.3 Ų179.390%0.90282%0.821SS**  141.3140.3117.9-76.3179.9-175.1-167.11.3112.8
256P37.5Very low36.8Very low130 Ų130179.2 Ų179.284%0.84482%0.82SS**  trans-92.2148.1-17836.3-31.1000112
257M38.4Very low37.1Very low195 Ų195171.4 Ų171.496%0.96181%0.806SS**  trans-125.5124.5171.4-124.6-172.5178.700111
258R32.9Very low36.6Very low234 Ų234171.8 Ų171.888%0.88381%0.809SS**  trans-84.1144.1163.3-69.3-179.8171.9-161-1.7108.9
259H37.6Very low36.4Very low159 Ų159172.9 Ų172.974%0.73681%0.809SS**  trans171.3122.8136.1-106.9-102.5000107.3
260R30.1Very low35.9Very low198 Ų198170 Ų17075%0.74780%0.804SS**  53.9120102.6-90.6-173.9175.6173.5-0.9111.4
261D32.6Very low35.8Very low145 Ų145166.6 Ų166.678%0.77580%0.801SS**  -163.4159.881.3-81.3-45.8000115.1
262F28.6Very low35.4Very low176 Ų176170.3 Ų170.377%0.77280%0.804SS**  trans-58.6144.2174.8-82.9-113.7000113.9
263Y32.3Very low34.9Very low222 Ų222162.7 Ų162.787%0.87180%0.797SS**  trans-138.1113.9139.8-89.5-85.3000109.5
264S31.9Very low34.3Very low96 Ų96169 Ų16967%0.67181%0.811SS**  trans-102.3127.4159840000107.3
265E34.7Very low34Very low171 Ų171167.5 Ų167.580%0.79981%0.811SS**  trans-119.5110.7161.2-76.7-171.8166.400108.9
266R33.1Very low33.5Very low250 Ų250162.1 Ų162.194%0.94381%0.808SS**  trans-80.1107.9161.7-69.4179.6-176.2-165.70.9106.9
267S40.9Very low33.6Very low94 Ų94164.3 Ų164.366%0.65781%0.805SS**  trans-125.293.1160.655.40000109.2H269S267-H269 PolarHBondContact O-N 3.37Å
268G32.2Very low33.4Very low79 Ų79165.5 Ų165.581%0.81480%0.798SS**  trans-76.399168.400000109.4
269H36.7Very low33.7Very low164 Ų164158.6 Ų158.676%0.75977%0.773SS**  trans-116.6109.2170.6-78.729.1000110S267S267-H269 PolarHBondContact O-N 3.37Å
270H28.8Very low33.7Very low180 Ų180153.6 Ų153.683%0.83375%0.754SS**  trans-87.1104.2171.9-127.681.6000107.5
271I37.5Very low34Very low159 Ų159146.7 Ų146.782%0.81574%0.736SS**  trans-93.7101.2173.7-58.8177.3000108.6
272R29.6Very low34.1Very low232 Ų232144 Ų14488%0.87572%0.721SS**  trans-86.896165.4-85.7-177.5170-178.3-1.9109
273G31.6Very low34.5Very low69 Ų69147.1 Ų147.171%0.71173%0.734SS**  trans-94.7118.1166.300000111
274R30.4Very low34.6Very low261 Ų261143.4 Ų143.499%0.98573%0.728SS**  trans-78.7118.4166.2-69.5-179.3-178.6169.30.7108
275G34.8Very low34.7Very low65 Ų65145.8 Ų145.867%0.6773%0.731SS**SBendtrans177.3136.1176.500000110.1F277G275-F277 VanDerWaalsContact C-N 3.35Å; G275-F277 PolarHBondContact O-N 3.34Å
276C32.3Very low34.7Very low125 Ų125144.4 Ų144.485%0.84573%0.727SS**SBendtrans-75.471.9-163.4-1560000113.4
277F38.1Very low34.8Very low176 Ų176138.2 Ų138.277%0.77271%0.714SS**  trans-144.4118.9165.3-72.1-76.4000111.2G275G275-F277 VanDerWaalsContact C-N 3.35Å; G275-F277 PolarHBondContact O-N 3.34Å
278R34.2Very low34.4Very low220 Ų220141 Ų14183%0.8372%0.718SS**  trans-98.882.7-176.8-71.4180176.3159.4-0.6111.4
279Y41.1Very low34.6Very low89 Ų89145.1 Ų145.135%0.34971%0.711SS.*EExtended strand (participates in β ladder)trans-134.5151.1167.4-63.1-83.6000111.2R5 L174R5-Y279 PolarHBondContact NH1-OH 3.39Å; L174-Y279 HydrophobicContact CB-CD1 4.1Å; L174-Y279 HydrophobicContact CB-CG 4.36Å; L174-Y279 HydrophobicContact CD1-CD2 4.49Å; L174-Y279 HydrophobicContact CD1-CG 4.31Å; L174-Y279 HydrophobicContact CD2-CG 4.41Å
280V37.3Very low34.4Very low55 Ų55143.8 Ų143.833%0.33371%0.708SS.*EExtended strand (participates in β ladder)trans-109.2134.7177.9-168.20000108.6R177R177-V280 HydrophobicContact CG-CG2 3.69Å
281S34.9Very low34.9Very low53 Ų53141 Ų14137%0.37170%0.698SS.*EExtended strand (participates in β ladder)trans-71.7127.5165.5-164.70000108.7F283S281-F283 PolarHBondContact OG-O 3.4Å
282L35.8Very low34.6Very low87 Ų87139.5 Ų139.546%0.45569%0.688SS.*  trans-85.4110.6160.6-70.9168.9000106.2V175V175-L282 HydrophobicContact CG1-CD1 3.68Å; V175-L282 HydrophobicContact CG2-CD1 4.02Å; V175-L282 HydrophobicContact CG2-CG 4.19Å
283F35.8Very low35.1Very low242 Ų242131.1 Ų131.1100%1.06167%0.671SS**  trans76.70-178-44.4-74.6000116.4S281S281-F283 PolarHBondContact OG-O 3.4Å

Retrieved 283 of 283 residues in 70.8 ms (Link to these results)

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