A0A3Q0KT72_SCHMA Loading...

Putative molybdopterin cofactor synthesis protein A

AlphaFold DB , UniProt , Accession A0A3Q0KT72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 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
1M88.8Confident92.4Very high86 Ų8680.4 Ų80.442%0.42438%0.383SS..  0147.20179.6179.773.800109.3T3 F8 L15 L20 S22 V23 N24M1-T3 HydrophobicContact CE-CG2 4.23Å; M1-F8 HydrophobicContact CE-CD2 3.5Å; M1-F8 VanDerWaalsContact CE-CD2 3.5Å; M1-F8 HydrophobicContact CE-CE2 3.66Å; M1-L15 HydrophobicContact CE-CD1 3.76Å; M1-L15 HydrophobicContact SD-CD1 4.23Å; M1-L20 HydrophobicContact CB-CD1 3.94Å; M1-L20 HydrophobicContact CB-CD2 3.84Å; M1-L20 HydrophobicContact CE-CD2 3.96Å; M1-L20 HydrophobicContact SD-CD2 4.2Å; M1-S22 PolarHBondContact N-O 3.36Å; M1-V23 HydrophobicContact CE-CG2 4.12Å; M1-V23 CarbonylContact O-C 3.48Å; M1-V23 WeakPolarHBondContact O-CA 3.23Å; M1-N24 PolarHBondContact O-N 3.29Å
2T91Very high92.8Very high76 Ų7673.7 Ų73.747%0.46635%0.351SS..EExtended strand (participates in β ladder)trans-111.6139.5169.2-55.70000109.7N24T2-N24 CarbonylContact C-O 3.53Å; T2-N24 VanDerWaalsContact CA-O 3.25Å; T2-N24 WeakPolarHBondContact CA-O 3.46Å; T2-N24 HydrophobicContact CG2-CB 4.28Å
3T91.9Very high93.2Very high28 Ų2876 Ų7617%0.17236%0.361CS..EExtended strand (participates in β ladder)trans-151.9159.9-175.7-175.60000111.4M1 G5 F8 V23 N24 I25 S26M1-T3 HydrophobicContact CE-CG2 4.23Å; T3-G5 VanDerWaalsContact C-N 3.32Å; T3-G5 PolarHBondContact OG1-N 3.4Å; T3-G5 VanDerWaalsContact OG1-N 3.15Å; T3-F8 HydrophobicContact CG2-CB 4.24Å; T3-F8 HydrophobicContact CG2-CD2 4.23Å; T3-F8 HydrophobicContact CG2-CG 4.34Å; T3-V23 HydrophobicContact CG2-CG2 3.85Å; T3-N24 PolarHBondContact N-O 2.99Å; T3-I25 HydrophobicContact CG2-CG1 3.97Å; T3-I25 CarbonylContact O-C 3.41Å; T3-I25 VanDerWaalsContact O-CA 3.27Å; T3-I25 WeakPolarHBondContact O-CA 3.11Å; T3-S26 PolarHBondContact O-N 3.19Å
4N88.3Confident93.5Very high84 Ų8477.9 Ų77.945%0.44938%0.375SS..  trans-929.7167.567.2-4.8000112.6V6 S47N4-V6 PolarHBondContact O-N 3.04Å; N4-V6 PolarHBondContact OD1-N 3.39Å; N4-S47 PolarHBondContact O-OG 2.89Å
5G91.6Very high93.7Very high1 Ų176.2 Ų76.21%0.0137%0.368CS..SBendtrans79-21.1175.100000116.2T3 K7 F8T3-G5 VanDerWaalsContact C-N 3.32Å; T3-G5 PolarHBondContact OG1-N 3.4Å; T3-G5 VanDerWaalsContact OG1-N 3.15Å; G5-K7 VanDerWaalsContact C-N 3.34Å; G5-K7 PolarHBondContact O-N 3.49Å; G5-K7 VanDerWaalsContact O-N 3.15Å; G5-F8 WeakPolarHBondContact O-CB 3.41Å; G5-F8 PolarHBondContact O-N 3.12Å
6V91.2Very high93.8Very high49 Ų4974.9 Ų74.930%0.29736%0.36SS..THydrogen-bonded Turntrans-50.6-47.3-170.4176.90000113.6N4 T43 H46N4-V6 PolarHBondContact O-N 3.04Å; N4-V6 PolarHBondContact OD1-N 3.39Å; V6-T43 HydrophobicContact CG2-CG2 3.58Å; V6-H46 HydrophobicContact CG2-CB 4.49Å
7K92.8Very high93.9Very high157 Ų15780.1 Ų80.168%0.68339%0.386SS*.THydrogen-bonded Turntrans-101.4-8.4177.4-67-174.2178.7179.30113.5G5 K9 K10 Y11G5-K7 VanDerWaalsContact C-N 3.34Å; G5-K7 PolarHBondContact O-N 3.49Å; G5-K7 VanDerWaalsContact O-N 3.15Å; K7-K9 VanDerWaalsContact C-N 3.35Å; K7-K9 PolarHBondContact O-N 3.27Å; K7-K10 PolarHBondContact O-N 3.1Å; K7-Y11 HydrophobicContact CB-CD2 4.42Å; K7-Y11 HydrophobicContact CB-CE2 4.28Å; K7-Y11 VanDerWaalsContact O-CD2 3.3Å; K7-Y11 WeakPolarHBondContact O-CD2 3.4Å
8F95.5Very high94Very high5 Ų580.6 Ų80.62%0.02241%0.405CS..Hα-helixtrans-59.8-43.9-169.1176.2-100.5000112.3M1 T3 G5 K10 Y11 A12 L15 V23 A50 A54 F59M1-F8 HydrophobicContact CE-CD2 3.5Å; M1-F8 VanDerWaalsContact CE-CD2 3.5Å; M1-F8 HydrophobicContact CE-CE2 3.66Å; T3-F8 HydrophobicContact CG2-CB 4.24Å; T3-F8 HydrophobicContact CG2-CD2 4.23Å; T3-F8 HydrophobicContact CG2-CG 4.34Å; G5-F8 WeakPolarHBondContact O-CB 3.41Å; G5-F8 PolarHBondContact O-N 3.12Å; F8-K10 PolarHBondContact O-N 3.3Å; F8-K10 VanDerWaalsContact O-N 3.12Å; F8-Y11 CarbonylContact O-C 3.44Å; F8-Y11 PolarHBondContact O-N 2.75Å; F8-A12 HydrophobicContact CD1-CB 4.24Å; F8-A12 HydrophobicContact CE1-CB 3.71Å; F8-A12 HydrophobicContact CE2-CB 4.38Å; F8-A12 HydrophobicContact CZ-CB 3.81Å; F8-A12 PolarHBondContact O-N 3.43Å; F8-L15 HydrophobicContact CD2-CD1 4.14Å; F8-L15 HydrophobicContact CE2-CD1 4.04Å; F8-V23 HydrophobicContact CD2-CG2 4.17Å; F8-V23 HydrophobicContact CE2-CB 4.27Å; F8-V23 HydrophobicContact CE2-CG2 3.72Å; F8-V23 HydrophobicContact CZ-CB 4.26Å; F8-V23 HydrophobicContact CZ-CG1 4.18Å; F8-V23 HydrophobicContact CZ-CG2 4.01Å; F8-A50 HydrophobicContact CB-CB 4.03Å; F8-A50 HydrophobicContact CD1-CB 3.67Å; F8-A50 WeakPolarHBondContact CE1-O 3.47Å; F8-A50 HydrophobicContact CG-CB 4.25Å; F8-A54 HydrophobicContact CE1-CB 3.77Å; F8-A54 HydrophobicContact CZ-CB 4.06Å; F8-F59 HydrophobicContact CE2-CZ 4.18Å; F8-F59 HydrophobicContact CZ-CD2 4.36Å; F8-F59 AromaticContact CZ-CE2 3.72Å; F8-F59 HydrophobicContact CZ-CE2 3.72Å; F8-F59 AromaticContact CZ-CZ 3.82Å; F8-F59 HydrophobicContact CZ-CZ 3.82Å
9K93.4Very high94Very high128 Ų12878.9 Ų78.956%0.55741%0.41SS*.Hα-helixtrans-53.2-38.3-177.7-173.1179.3-178.6179.30112.7K7 Y11 A49 K53K7-K9 VanDerWaalsContact C-N 3.35Å; K7-K9 PolarHBondContact O-N 3.27Å; K9-Y11 VanDerWaalsContact C-N 3.32Å; K9-Y11 PolarHBondContact O-N 3.04Å; K9-A49 HydrophobicContact CD-CB 4.22Å; K9-K53 HydrophobicContact CG-CB 4.19Å; K9-K53 HydrophobicContact CG-CG 4.1Å
10K95.6Very high94Very high163 Ų16377 Ų7771%0.70940%0.4SS*.Hα-helixtrans-67.1-29.8179.3-179.1176.7177.7179.30113.2K7 F8K7-K10 PolarHBondContact O-N 3.1Å; F8-K10 PolarHBondContact O-N 3.3Å; F8-K10 VanDerWaalsContact O-N 3.12Å
11Y96.3Very high94Very high107 Ų10776.7 Ų76.742%0.4240%0.399SS..Hα-helixtrans-112.1-3.2-171.7-61.3-73.5000113.7K7 F8 K9 E13 N14 L15K7-Y11 HydrophobicContact CB-CD2 4.42Å; K7-Y11 HydrophobicContact CB-CE2 4.28Å; K7-Y11 VanDerWaalsContact O-CD2 3.3Å; K7-Y11 WeakPolarHBondContact O-CD2 3.4Å; F8-Y11 CarbonylContact O-C 3.44Å; F8-Y11 PolarHBondContact O-N 2.75Å; K9-Y11 VanDerWaalsContact C-N 3.32Å; K9-Y11 PolarHBondContact O-N 3.04Å; Y11-E13 VanDerWaalsContact C-N 3.35Å; Y11-E13 PolarHBondContact O-N 2.86Å; Y11-N14 PolarHBondContact O-N 3.33Å; Y11-L15 WeakPolarHBondContact O-CB 3.05Å; Y11-L15 VanDerWaalsContact O-CG 3.23Å; Y11-L15 WeakPolarHBondContact O-CG 3.36Å; Y11-L15 PolarHBondContact O-N 2.81Å
12A97.3Very high94.3Very high0 Ų075.2 Ų75.20%040%0.398CS..Hα-helixtrans-54.2-46.7-170.900000113.1F8 L15 K16 K53 V57 F59F8-A12 HydrophobicContact CD1-CB 4.24Å; F8-A12 HydrophobicContact CE1-CB 3.71Å; F8-A12 HydrophobicContact CE2-CB 4.38Å; F8-A12 HydrophobicContact CZ-CB 3.81Å; F8-A12 PolarHBondContact O-N 3.43Å; A12-L15 PolarHBondContact O-N 3.5Å; A12-K16 WeakPolarHBondContact O-CB 3.29Å; A12-K16 PolarHBondContact O-N 3.28Å; A12-K53 HydrophobicContact CB-CG 3.79Å; A12-V57 HydrophobicContact CB-CG2 4.18Å; A12-F59 HydrophobicContact CB-CE2 4.28Å; A12-F59 WeakPolarHBondContact O-CZ 3.26Å
13E97.5Very high94.6Very high104 Ų10471.7 Ų71.749%0.48638%0.376SS..Hα-helixtrans-66.4-49.5178.8-70.7170.3-155.600111.8Y11 L15 K16 M17 K53 V57Y11-E13 VanDerWaalsContact C-N 3.35Å; Y11-E13 PolarHBondContact O-N 2.86Å; E13-L15 VanDerWaalsContact C-N 3.27Å; E13-L15 PolarHBondContact O-N 3.07Å; E13-K16 WeakPolarHBondContact O-CB 3.42Å; E13-K16 PolarHBondContact O-N 3.41Å; E13-K16 VanDerWaalsContact O-N 3.08Å; E13-M17 WeakPolarHBondContact O-CG 3.38Å; E13-M17 PolarHBondContact O-N 2.77Å; E13-K53 VanDerWaalsContact OE1-CE 3.29Å; E13-K53 WeakPolarHBondContact OE1-CE 3.4Å; E13-K53 IonicContact OE1-NZ 2.77Å; E13-K53 PolarHBondContact OE1-NZ 2.81Å; E13-V57 HydrophobicContact CG-CG1 4.41Å; E13-V57 HydrophobicContact CG-CG2 3.72Å
14N97.1Very high94.8Very high103 Ų10371.2 Ų71.255%0.55137%0.372SS*.Hα-helixtrans-59-40.2177.6-66.6-2.7000111.8Y11 M17 A18Y11-N14 PolarHBondContact O-N 3.33Å; N14-M17 PolarHBondContact O-N 3.35Å; N14-A18 VanDerWaalsContact O-CB 3.3Å; N14-A18 WeakPolarHBondContact O-CB 3.24Å; N14-A18 PolarHBondContact O-N 3.45Å
15L96.7Very high95.2Very high52 Ų5267.2 Ų67.227%0.27235%0.351SS..Hα-helixtrans-65.1-42176.4-72.2169000111.4M1 F8 Y11 A12 E13 A18 G19 L20 F59M1-L15 HydrophobicContact CE-CD1 3.76Å; M1-L15 HydrophobicContact SD-CD1 4.23Å; F8-L15 HydrophobicContact CD2-CD1 4.14Å; F8-L15 HydrophobicContact CE2-CD1 4.04Å; Y11-L15 WeakPolarHBondContact O-CB 3.05Å; Y11-L15 VanDerWaalsContact O-CG 3.23Å; Y11-L15 WeakPolarHBondContact O-CG 3.36Å; Y11-L15 PolarHBondContact O-N 2.81Å; A12-L15 PolarHBondContact O-N 3.5Å; E13-L15 VanDerWaalsContact C-N 3.27Å; E13-L15 PolarHBondContact O-N 3.07Å; L15-A18 PolarHBondContact O-N 3.17Å; L15-G19 PolarHBondContact O-N 2.86Å; L15-L20 HydrophobicContact CB-CB 4.22Å; L15-L20 HydrophobicContact CB-CD2 3.95Å; L15-L20 HydrophobicContact CD1-CD2 4.26Å; L15-L20 HydrophobicContact CD2-CD2 4.45Å; L15-L20 HydrophobicContact CG-CD2 4.47Å; L15-L20 WeakPolarHBondContact O-CB 3.46Å; L15-L20 PolarHBondContact O-N 2.75Å; L15-F59 HydrophobicContact CB-CZ 4.46Å
16K96.1Very high95.4Very high56 Ų5668.7 Ų68.724%0.24336%0.361CS..Hα-helixtrans-63.5-45.9176.2178.567.9-179.3-171.80111.3A12 E13 A18 G19 V57 G58 F59A12-K16 WeakPolarHBondContact O-CB 3.29Å; A12-K16 PolarHBondContact O-N 3.28Å; E13-K16 WeakPolarHBondContact O-CB 3.42Å; E13-K16 PolarHBondContact O-N 3.41Å; E13-K16 VanDerWaalsContact O-N 3.08Å; K16-A18 VanDerWaalsContact C-N 3.26Å; K16-A18 PolarHBondContact O-N 3.21Å; K16-G19 PolarHBondContact O-N 3.2Å; K16-V57 HydrophobicContact CB-CG1 3.61Å; K16-V57 HydrophobicContact CG-CG1 3.8Å; K16-G58 WeakPolarHBondContact CE-O 3.21Å; K16-G58 PolarHBondContact NZ-O 2.78Å; K16-F59 HydrophobicContact CB-CE2 4.22Å; K16-F59 HydrophobicContact CB-CZ 3.99Å
17M95.2Very high95.6Very high162 Ų16266.4 Ų66.480%0.79835%0.347SS*.Hα-helixtrans-61.3-35175.5-71.2175.86500112.2E13 N14 G19E13-M17 WeakPolarHBondContact O-CG 3.38Å; E13-M17 PolarHBondContact O-N 2.77Å; N14-M17 PolarHBondContact O-N 3.35Å; M17-G19 PolarHBondContact O-N 3.42Å
18A95.2Very high95.8Very high89 Ų8959.6 Ų59.674%0.73632%0.319SS*.THydrogen-bonded Turntrans-73.93.2173.300000114N14 L15 K16N14-A18 VanDerWaalsContact O-CB 3.3Å; N14-A18 WeakPolarHBondContact O-CB 3.24Å; N14-A18 PolarHBondContact O-N 3.45Å; L15-A18 PolarHBondContact O-N 3.17Å; K16-A18 VanDerWaalsContact C-N 3.26Å; K16-A18 PolarHBondContact O-N 3.21Å
19G94Very high95.9Very high49 Ų4959.4 Ų59.451%0.50532%0.317SS..THydrogen-bonded Turntrans96.65.3175.100000115.5L15 K16 M17 N21L15-G19 PolarHBondContact O-N 2.86Å; K16-G19 PolarHBondContact O-N 3.2Å; M17-G19 PolarHBondContact O-N 3.42Å; G19-N21 PolarHBondContact O-N 3.47Å; G19-N21 VanDerWaalsContact O-N 3.16Å
20L94.4Very high96.1Very high40 Ų4055 Ų5521%0.20930%0.3CS..  trans-68.5115.3175.9-173.667.2000110.4M1 L15 F59M1-L20 HydrophobicContact CB-CD1 3.94Å; M1-L20 HydrophobicContact CB-CD2 3.84Å; M1-L20 HydrophobicContact CE-CD2 3.96Å; M1-L20 HydrophobicContact SD-CD2 4.2Å; L15-L20 HydrophobicContact CB-CB 4.22Å; L15-L20 HydrophobicContact CB-CD2 3.95Å; L15-L20 HydrophobicContact CD1-CD2 4.26Å; L15-L20 HydrophobicContact CD2-CD2 4.45Å; L15-L20 HydrophobicContact CG-CD2 4.47Å; L15-L20 WeakPolarHBondContact O-CB 3.46Å; L15-L20 PolarHBondContact O-N 2.75Å; L20-F59 HydrophobicContact CB-CE1 4.08Å; L20-F59 HydrophobicContact CD2-CE1 3.78Å; L20-F59 HydrophobicContact CD2-CZ 4.4Å; L20-F59 HydrophobicContact CG-CE1 3.8Å; L20-F59 WeakPolarHBondContact O-CD1 3.47Å; L20-F59 WeakPolarHBondContact O-CE1 3.43Å
21N93.8Very high96.1Very high71 Ų7150.3 Ų50.338%0.3828%0.28SS..  trans-99.3-20-176.5-77-41.6000114.9G19 K60 S61G19-N21 PolarHBondContact O-N 3.47Å; G19-N21 VanDerWaalsContact O-N 3.16Å; N21-K60 HydrophobicContact CB-CD 4.22Å; N21-K60 HydrophobicContact CB-CG 4.34Å; N21-K60 WeakPolarHBondContact O-CB 3.33Å; N21-K60 PolarHBondContact O-N 3.08Å; N21-S61 PolarHBondContact O-N 3.22Å
22S95.5Very high96.1Very high55 Ų5547.6 Ų47.639%0.38528%0.276SS..EExtended strand (participates in β ladder)trans-139.3138.7-175.867.30000112.5M1 S61M1-S22 PolarHBondContact N-O 3.36Å; S22-S61 WeakPolarHBondContact CA-O 3.36Å
23V96.5Very high96Very high2 Ų253.2 Ų53.21%0.01230%0.302CS..EExtended strand (participates in β ladder)trans-127140.5176.666.40000110.7M1 T3 F8 I25 A54 F59 S61 V62 K63M1-V23 HydrophobicContact CE-CG2 4.12Å; M1-V23 CarbonylContact O-C 3.48Å; M1-V23 WeakPolarHBondContact O-CA 3.23Å; T3-V23 HydrophobicContact CG2-CG2 3.85Å; F8-V23 HydrophobicContact CD2-CG2 4.17Å; F8-V23 HydrophobicContact CE2-CB 4.27Å; F8-V23 HydrophobicContact CE2-CG2 3.72Å; F8-V23 HydrophobicContact CZ-CB 4.26Å; F8-V23 HydrophobicContact CZ-CG1 4.18Å; F8-V23 HydrophobicContact CZ-CG2 4.01Å; V23-I25 HydrophobicContact CG1-CD1 4.42Å; V23-I25 HydrophobicContact CG2-CD1 4.46Å; V23-I25 HydrophobicContact CG2-CG1 3.93Å; V23-A54 HydrophobicContact CG1-CB 3.65Å; V23-F59 HydrophobicContact CB-CD1 4.49Å; V23-F59 HydrophobicContact CG1-CD1 4.44Å; V23-F59 HydrophobicContact CG1-CG 4.38Å; V23-S61 PolarHBondContact N-O 3.5Å; V23-V62 HydrophobicContact CG1-CG1 4.26Å; V23-V62 HydrophobicContact CG1-CG2 4.24Å; V23-K63 PolarHBondContact O-N 2.86Å
24N96.1Very high95.9Very high18 Ų1850.7 Ų50.710%0.09629%0.288CS..EExtended strand (participates in β ladder)trans-117120.2171.8-174.9-38000108.2M1 T2 T3 K63 N65M1-N24 PolarHBondContact O-N 3.29Å; T2-N24 CarbonylContact C-O 3.53Å; T2-N24 VanDerWaalsContact CA-O 3.25Å; T2-N24 WeakPolarHBondContact CA-O 3.46Å; T2-N24 HydrophobicContact CG2-CB 4.28Å; T3-N24 PolarHBondContact N-O 2.99Å; N24-K63 CarbonylContact C-O 3.47Å; N24-K63 WeakPolarHBondContact CA-O 3.22Å; N24-K63 HydrophobicContact CB-CB 4.22Å; N24-N65 VanDerWaalsContact CG-CG 3.48Å; N24-N65 PolarHBondContact ND2-ND2 2.61Å; N24-N65 PolarHBondContact ND2-OD1 2.73Å; N24-N65 PolarHBondContact OD1-ND2 3.49Å; N24-N65 PolarHBondContact OD1-OD1 2.72Å
25I97.2Very high95.8Very high0 Ų046 Ų460%026%0.263CS..EExtended strand (participates in β ladder)trans-111.3121.2-175.9-58.3171.7000108.2T3 V23 A50 I51 K63 V64 N65T3-I25 HydrophobicContact CG2-CG1 3.97Å; T3-I25 CarbonylContact O-C 3.41Å; T3-I25 VanDerWaalsContact O-CA 3.27Å; T3-I25 WeakPolarHBondContact O-CA 3.11Å; V23-I25 HydrophobicContact CG1-CD1 4.42Å; V23-I25 HydrophobicContact CG2-CD1 4.46Å; V23-I25 HydrophobicContact CG2-CG1 3.93Å; I25-A50 HydrophobicContact CD1-CB 3.9Å; I25-I51 HydrophobicContact CB-CG1 4.2Å; I25-I51 HydrophobicContact CD1-CB 4.26Å; I25-I51 HydrophobicContact CD1-CG1 3.63Å; I25-I51 HydrophobicContact CG2-CG1 4.14Å; I25-K63 PolarHBondContact N-O 2.69Å; I25-V64 CarbonylContact O-C 3.16Å; I25-V64 VanDerWaalsContact O-CA 3.27Å; I25-V64 WeakPolarHBondContact O-CA 3.26Å; I25-N65 PolarHBondContact O-N 2.8Å
26S95.6Very high95.6Very high32 Ų3247.6 Ų47.622%0.22427%0.272CS..EExtended strand (participates in β ladder)trans-74127.3173.5-64.10000110.5T3 N65T3-S26 PolarHBondContact O-N 3.19Å; S26-N65 WeakPolarHBondContact CA-O 3.2Å
27L96.7Very high95.5Very high2 Ų253 Ų531%0.0130%0.295CS..  trans-152.899.8174179.863.2000108.3S29 L30 I35 F44 M48 I51 V64 N65 C66 F80L27-S29 VanDerWaalsContact CD1-O 3.23Å; L27-S29 WeakPolarHBondContact CD1-O 3.5Å; L27-L30 HydrophobicContact CD2-CD2 3.82Å; L27-I35 HydrophobicContact CD1-CD1 3.98Å; L27-I35 HydrophobicContact CD1-CG1 4.33Å; L27-F44 HydrophobicContact CD1-CD2 4.03Å; L27-M48 HydrophobicContact CD2-CG 4.42Å; L27-M48 HydrophobicContact CD2-SD 3.62Å; L27-I51 HydrophobicContact CD2-CD1 3.96Å; L27-V64 HydrophobicContact CB-CG1 3.77Å; L27-V64 HydrophobicContact CD2-CG1 4.38Å; L27-N65 CarbonylContact C-O 3.51Å; L27-N65 PolarHBondContact N-O 2.8Å; L27-C66 WeakPolarHBondContact O-CB 3.49Å; L27-F80 HydrophobicContact CD2-CE1 4.21Å; L27-F80 HydrophobicContact CG-CE1 4.22Å; L27-F80 HydrophobicContact CG-CZ 4.23Å; L27-F80 VanDerWaalsContact O-CZ 3.27Å; L27-F80 WeakPolarHBondContact O-CZ 3.44Å
28D96Very high95.2Very high14 Ų1446.8 Ų46.88%0.07527%0.265CS..  trans-89.1-0.6-173.9-59.8-38.8000113.2L38 V67 N73D28-L38 HydrophobicContact CB-CD2 3.52Å; D28-L38 WeakPolarHBondContact OD2-CD2 3.4Å; D28-V67 PolarHBondContact OD1-N 3.2Å; D28-N73 PolarHBondContact O-ND2 3.38Å
29S97.3Very high94.8Very high0 Ų044.3 Ų44.30%024%0.241CC..  trans-163.5143.2-179.7163.10000110.2L27 K31 R34 I35 E76L27-S29 VanDerWaalsContact CD1-O 3.23Å; L27-S29 WeakPolarHBondContact CD1-O 3.5Å; S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 WeakPolarHBondContact OG-CA 3.32Å; S29-K31 WeakPolarHBondContact OG-CB 3.23Å; S29-K31 PolarHBondContact OG-N 2.85Å; S29-K31 PolarHBondContact OG-O 3.13Å; S29-R34 VanDerWaalsContact OG-CB 3.24Å; S29-R34 WeakPolarHBondContact OG-CB 3.37Å; S29-I35 WeakPolarHBondContact O-CG1 3.31Å; S29-E76 PolarHBondContact OG-OE1 2.8Å; S29-E76 PolarHBondContact OG-OE2 3.26Å
30L97Very high94.7Very high36 Ų3644.8 Ų44.819%0.18825%0.245CC..SBendtrans-86.4-12.8170.2-57.1-176000112L27 F44 E76 D79 F80 L83L27-L30 HydrophobicContact CD2-CD2 3.82Å; L30-F44 HydrophobicContact CD2-CE2 4.46Å; L30-F44 WeakPolarHBondContact O-CE2 3.33Å; L30-F44 WeakPolarHBondContact O-CZ 3.49Å; L30-E76 WeakPolarHBondContact CA-OE2 3.4Å; L30-E76 PolarHBondContact N-OE2 3.4Å; L30-D79 HydrophobicContact CD1-CB 3.75Å; L30-F80 HydrophobicContact CD1-CD1 4.46Å; L30-F80 HydrophobicContact CD1-CD2 4.33Å; L30-F80 HydrophobicContact CD1-CG 4.28Å; L30-F80 HydrophobicContact CD2-CD1 4.05Å; L30-F80 HydrophobicContact CD2-CE1 3.57Å; L30-F80 HydrophobicContact CD2-CE2 4.23Å; L30-F80 HydrophobicContact CD2-CZ 3.67Å; L30-F80 HydrophobicContact CG-CD1 4.28Å; L30-F80 HydrophobicContact CG-CD2 4.08Å; L30-F80 HydrophobicContact CG-CE1 4.03Å; L30-F80 HydrophobicContact CG-CE2 3.81Å; L30-F80 HydrophobicContact CG-CG 4.31Å; L30-F80 HydrophobicContact CG-CZ 3.78Å; L30-L83 HydrophobicContact CD1-CD1 3.92Å; L30-L83 HydrophobicContact CD1-CG 4.23Å; L30-L83 HydrophobicContact CD2-CD1 3.71Å; L30-L83 HydrophobicContact CG-CD1 4.48Å
31K97Very high94.5Very high65 Ų6548.5 Ų48.528%0.28326%0.262SS..SBendtrans-85.2124171.3-67.9170.1-168.9171.60111.6S29 E33 R34 I35 D75 E76S29-K31 VanDerWaalsContact C-N 3.34Å; S29-K31 WeakPolarHBondContact OG-CA 3.32Å; S29-K31 WeakPolarHBondContact OG-CB 3.23Å; S29-K31 PolarHBondContact OG-N 2.85Å; S29-K31 PolarHBondContact OG-O 3.13Å; K31-E33 WeakPolarHBondContact CB-OE1 3.5Å; K31-E33 PolarHBondContact O-N 3.41Å; K31-R34 HydrophobicContact CB-CB 4.23Å; K31-R34 HydrophobicContact CB-CG 4.18Å; K31-R34 PolarHBondContact O-N 3.3Å; K31-I35 PolarHBondContact O-N 3.38Å; K31-D75 IonicContact NZ-OD2 3.22Å; K31-D75 PolarHBondContact NZ-OD2 2.87Å; K31-E76 HydrophobicContact CD-CG 4.37Å; K31-E76 PolarHBondContact N-OE2 3.16Å
32S95.4Very high94.3Very high49 Ų4948.6 Ų48.634%0.34327%0.272SS..Hα-helixtrans-65.8-38-174.5-71.90000112.7R34 I35 L36 F44S32-R34 VanDerWaalsContact C-N 3.34Å; S32-I35 PolarHBondContact O-N 3.33Å; S32-L36 PolarHBondContact O-N 2.98Å; S32-F44 WeakPolarHBondContact OG-CD1 3.2Å; S32-F44 WeakPolarHBondContact OG-CG 3.24Å
33E96.1Very high94.2Very high118 Ų11846.6 Ų46.655%0.55126%0.258SS*.Hα-helixtrans-65.1-36.1178.465.6-78.6-175.200112.3K31 L36 K37K31-E33 WeakPolarHBondContact CB-OE1 3.5Å; K31-E33 PolarHBondContact O-N 3.41Å; E33-L36 PolarHBondContact O-N 3.05Å; E33-K37 WeakPolarHBondContact O-CB 3.38Å; E33-K37 PolarHBondContact O-N 3.45Å
34R95.4Very high94.1Very high51 Ų5148.5 Ų48.519%0.19227%0.266CS..Hα-helixtrans-70.8-39.8174.9-74.4-177.4-178.2175.4-9.4111.3S29 K31 S32 L36 K37 L38 F72 D75 E76S29-R34 VanDerWaalsContact OG-CB 3.24Å; S29-R34 WeakPolarHBondContact OG-CB 3.37Å; K31-R34 HydrophobicContact CB-CB 4.23Å; K31-R34 HydrophobicContact CB-CG 4.18Å; K31-R34 PolarHBondContact O-N 3.3Å; S32-R34 VanDerWaalsContact C-N 3.34Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 2.85Å; R34-K37 PolarHBondContact O-N 3.43Å; R34-L38 VanDerWaalsContact O-CB 3.28Å; R34-L38 WeakPolarHBondContact O-CB 3.12Å; R34-L38 PolarHBondContact O-N 3.12Å; R34-F72 HydrophobicContact CB-CE1 4.32Å; R34-F72 HydrophobicContact CB-CZ 3.98Å; R34-F72 WeakPolarHBondContact CD-O 3.42Å; R34-F72 HydrophobicContact CG-CZ 4.35Å; R34-F72 PolarHBondContact NE-O 2.76Å; R34-F72 VanDerWaalsContact NE-O 3.09Å; R34-F72 PolarHBondContact NH1-O 2.67Å; R34-F72 VanDerWaalsContact NH1-O 3.13Å; R34-F72 PolarHBondContact NH2-O 3.16Å; R34-D75 IonicContact CZ-OD1 2.72Å; R34-D75 VanDerWaalsContact CZ-OD1 3.29Å; R34-D75 IonicContact CZ-OD2 3.74Å; R34-D75 IonicContact NH1-OD1 3.93Å; R34-D75 PolarHBondContact NH1-OD1 3.5Å; R34-D75 IonicContact NH1-OD2 3.5Å; R34-D75 PolarHBondContact NH1-OD2 3.22Å; R34-D75 VanDerWaalsContact NH2-CG 3.33Å; R34-D75 IonicContact NH2-OD1 2.63Å; R34-D75 PolarHBondContact NH2-OD1 2.9Å; R34-D75 IonicContact NH2-OD2 3.08Å; R34-D75 PolarHBondContact NH2-OD2 3.34Å; R34-E76 WeakPolarHBondContact CD-OE1 3.34Å; R34-E76 IonicContact CZ-OE1 2.73Å; R34-E76 IonicContact NE-OE1 2.86Å; R34-E76 VanDerWaalsContact NH1-CD 3.28Å; R34-E76 IonicContact NH1-OE1 3.92Å; R34-E76 PolarHBondContact NH1-OE1 3.09Å
35I94.1Very high94.1Very high4 Ų455.4 Ų55.42%0.02130%0.295CS..Hα-helixtrans-61-42.9172.1-67.2-63.1000111.3L27 S29 K31 S32 L38 T39 T43 F44L27-I35 HydrophobicContact CD1-CD1 3.98Å; L27-I35 HydrophobicContact CD1-CG1 4.33Å; S29-I35 WeakPolarHBondContact O-CG1 3.31Å; K31-I35 PolarHBondContact O-N 3.38Å; S32-I35 PolarHBondContact O-N 3.33Å; I35-L38 PolarHBondContact O-N 3.41Å; I35-T39 HydrophobicContact CG2-CG2 4.42Å; I35-T39 WeakPolarHBondContact O-CB 3.46Å; I35-T39 PolarHBondContact O-N 2.81Å; I35-T39 PolarHBondContact O-OG1 3.36Å; I35-T43 VanDerWaalsContact CG2-OG1 3.3Å; I35-T43 WeakPolarHBondContact CG2-OG1 3.35Å; I35-F44 HydrophobicContact CB-CB 4.41Å; I35-F44 HydrophobicContact CG1-CB 4.27Å
36L93.6Very high94Very high87 Ų8759.9 Ų59.946%0.45532%0.316SS..Hα-helixtrans-62.2-45.6175.6178.262.9000111.4S32 E33 R34 L38 G40 A42S32-L36 PolarHBondContact O-N 2.98Å; E33-L36 PolarHBondContact O-N 3.05Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-L36 PolarHBondContact O-N 2.85Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 2.97Å; L36-G40 WeakPolarHBondContact O-CA 3.32Å; L36-G40 PolarHBondContact O-N 2.84Å; L36-A42 HydrophobicContact CD1-CB 4.46Å
37K93.1Very high94Very high170 Ų17058.5 Ų58.574%0.73931%0.306SS*.Hα-helixtrans-62.4-37.6177.2-176.1173.9176-176.20112.5E33 R34 F72E33-K37 WeakPolarHBondContact O-CB 3.38Å; E33-K37 PolarHBondContact O-N 3.45Å; R34-K37 PolarHBondContact O-N 3.43Å; K37-F72 HydrophobicContact CD-CE2 4.16Å; K37-F72 HydrophobicContact CG-CE2 4.47Å
38L89.4Confident94Very high31 Ų3160.3 Ų60.316%0.16232%0.315CS..Hα-helixtrans-80.3-38.9-177.5-176.160.9000113.1D28 R34 I35 L36 M69 F72 G257D28-L38 HydrophobicContact CB-CD2 3.52Å; D28-L38 WeakPolarHBondContact OD2-CD2 3.4Å; R34-L38 VanDerWaalsContact O-CB 3.28Å; R34-L38 WeakPolarHBondContact O-CB 3.12Å; R34-L38 PolarHBondContact O-N 3.12Å; I35-L38 PolarHBondContact O-N 3.41Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 2.97Å; L38-M69 HydrophobicContact CD1-CE 3.82Å; L38-M69 HydrophobicContact CD2-CE 3.98Å; L38-F72 HydrophobicContact CB-CE1 4.26Å; L38-F72 HydrophobicContact CB-CZ 3.95Å; L38-F72 HydrophobicContact CD2-CE1 4.2Å; L38-G257 CarbonylContact O-C 3.54Å; L38-G257 VanDerWaalsContact O-CA 3.3Å; L38-G257 WeakPolarHBondContact O-CA 3.28Å
39T87.6Confident94Very high36 Ų3661.1 Ų61.122%0.22132%0.324CS..Hα-helixtrans-108.9-7.1-17168.10000113.8I35 Q41I35-T39 HydrophobicContact CG2-CG2 4.42Å; I35-T39 WeakPolarHBondContact O-CB 3.46Å; I35-T39 PolarHBondContact O-N 2.81Å; I35-T39 PolarHBondContact O-OG1 3.36Å; T39-Q41 PolarHBondContact O-N 3.35Å; T39-Q41 PolarHBondContact OG1-N 3.05Å; T39-Q41 PolarHBondContact OG1-O 2.88Å
40G91Very high94Very high59 Ų5961.1 Ų61.161%0.60832%0.324SS*.SBendtrans68.62.1-169.400000114.1L36L36-G40 WeakPolarHBondContact O-CA 3.32Å; L36-G40 PolarHBondContact O-N 2.84Å
41Q89.1Confident94.1Very high119 Ų11959.5 Ų59.556%0.55632%0.315SS*.SBendtrans-136.5139.7-175.7-61.1-178.723.400111.8T39 T43T39-Q41 PolarHBondContact O-N 3.35Å; T39-Q41 PolarHBondContact OG1-N 3.05Å; T39-Q41 PolarHBondContact OG1-O 2.88Å; Q41-T43 HydrophobicContact CB-CG2 3.71Å; Q41-T43 PolarHBondContact O-N 2.92Å
42A91.1Very high94.1Very high72 Ų7260.2 Ų60.260%0.59532%0.321SS*.  trans-77.564178.600000112.3L36L36-A42 HydrophobicContact CD1-CB 4.46Å
43T92.5Very high94.2Very high13 Ų1359 Ų598%0.0831%0.31CS..  trans-90.3-1.4-171.656.50000114.7V6 I35 Q41 K45 H46 S47V6-T43 HydrophobicContact CG2-CG2 3.58Å; I35-T43 VanDerWaalsContact CG2-OG1 3.3Å; I35-T43 WeakPolarHBondContact CG2-OG1 3.35Å; Q41-T43 HydrophobicContact CB-CG2 3.71Å; Q41-T43 PolarHBondContact O-N 2.92Å; T43-K45 PolarHBondContact O-N 3.44Å; T43-H46 WeakPolarHBondContact O-CB 3.18Å; T43-H46 PolarHBondContact O-N 3.27Å; T43-S47 PolarHBondContact O-N 3.39Å; T43-S47 PolarHBondContact O-OG 2.99Å
44F95.4Very high94.4Very high43 Ų4353.3 Ų53.319%0.18928%0.283CS..Hα-helixtrans-50.5-54-178.9171-105000112.9L27 L30 S32 I35 H46 S47 M48L27-F44 HydrophobicContact CD1-CD2 4.03Å; L30-F44 HydrophobicContact CD2-CE2 4.46Å; L30-F44 WeakPolarHBondContact O-CE2 3.33Å; L30-F44 WeakPolarHBondContact O-CZ 3.49Å; S32-F44 WeakPolarHBondContact OG-CD1 3.2Å; S32-F44 WeakPolarHBondContact OG-CG 3.24Å; I35-F44 HydrophobicContact CB-CB 4.41Å; I35-F44 HydrophobicContact CG1-CB 4.27Å; F44-H46 PolarHBondContact O-N 3.49Å; F44-S47 PolarHBondContact O-N 3.08Å; F44-S47 VanDerWaalsContact O-N 3.13Å; F44-M48 HydrophobicContact CD2-CG 4.18Å; F44-M48 HydrophobicContact CE1-CG 4.28Å; F44-M48 HydrophobicContact CE2-CG 3.56Å; F44-M48 HydrophobicContact CE2-SD 4.3Å; F44-M48 HydrophobicContact CZ-CG 3.64Å; F44-M48 PolarHBondContact O-N 3.08Å
45K95.3Very high94.5Very high163 Ų16353.1 Ų53.171%0.70929%0.286SS*.Hα-helixtrans-59-36.2179.8-67.3-174.8179.6-179.70112.4T43 A49T43-K45 PolarHBondContact O-N 3.44Å; K45-A49 WeakPolarHBondContact O-CB 3.44Å; K45-A49 PolarHBondContact O-N 2.84Å
46H94.8Very high94.6Very high93 Ų9359.2 Ų59.243%0.43131%0.314SS..Hα-helixtrans-70.3-42178.3-63.388.8000111.8V6 T43 F44 A49 A50V6-H46 HydrophobicContact CG2-CB 4.49Å; T43-H46 WeakPolarHBondContact O-CB 3.18Å; T43-H46 PolarHBondContact O-N 3.27Å; F44-H46 PolarHBondContact O-N 3.49Å; H46-A49 PolarHBondContact O-N 3Å; H46-A50 VanDerWaalsContact O-CB 3.29Å; H46-A50 WeakPolarHBondContact O-CB 3.45Å; H46-A50 PolarHBondContact O-N 2.81Å
47S95.4Very high94.8Very high3 Ų356.5 Ų56.52%0.02130%0.301CS..Hα-helixtrans-64.6-46.4178.3-57.30000111.4N4 T43 F44 A50 I51N4-S47 PolarHBondContact O-OG 2.89Å; T43-S47 PolarHBondContact O-N 3.39Å; T43-S47 PolarHBondContact O-OG 2.99Å; F44-S47 PolarHBondContact O-N 3.08Å; F44-S47 VanDerWaalsContact O-N 3.13Å; S47-A50 WeakPolarHBondContact O-CB 3.13Å; S47-A50 PolarHBondContact O-N 2.99Å; S47-I51 WeakPolarHBondContact O-CG1 3.41Å; S47-I51 PolarHBondContact O-N 3.4Å
48M96.6Very high95Very high41 Ų4150.3 Ų50.320%0.20229%0.285CS..Hα-helixtrans-62.8-44.7174.7-72.5-56.5-64.100112.1L27 F44 A50 I51 I52L27-M48 HydrophobicContact CD2-CG 4.42Å; L27-M48 HydrophobicContact CD2-SD 3.62Å; F44-M48 HydrophobicContact CD2-CG 4.18Å; F44-M48 HydrophobicContact CE1-CG 4.28Å; F44-M48 HydrophobicContact CE2-CG 3.56Å; F44-M48 HydrophobicContact CE2-SD 4.3Å; F44-M48 HydrophobicContact CZ-CG 3.64Å; F44-M48 PolarHBondContact O-N 3.08Å; M48-A50 PolarHBondContact O-N 2.79Å; M48-I51 PolarHBondContact O-N 2.91Å; M48-I51 VanDerWaalsContact O-N 3.16Å; M48-I51 HydrophobicContact SD-CD1 3.99Å; M48-I52 WeakPolarHBondContact O-CG1 3.34Å; M48-I52 PolarHBondContact O-N 2.77Å
49A97.1Very high95.4Very high31 Ų3149.5 Ų49.526%0.25628%0.28SS..Hα-helixtrans-62.6-32.7175.900000112.4K9 K45 H46 K53K9-A49 HydrophobicContact CD-CB 4.22Å; K45-A49 WeakPolarHBondContact O-CB 3.44Å; K45-A49 PolarHBondContact O-N 2.84Å; H46-A49 PolarHBondContact O-N 3Å; A49-K53 VanDerWaalsContact O-CB 3.26Å; A49-K53 WeakPolarHBondContact O-CB 3.5Å; A49-K53 PolarHBondContact O-N 3.03Å
50A97.8Very high95.8Very high0 Ų055.9 Ų55.90%031%0.305CS..Hα-helixtrans-68.5-40.917400000112.2F8 I25 H46 S47 M48 K53 A54F8-A50 HydrophobicContact CB-CB 4.03Å; F8-A50 HydrophobicContact CD1-CB 3.67Å; F8-A50 WeakPolarHBondContact CE1-O 3.47Å; F8-A50 HydrophobicContact CG-CB 4.25Å; I25-A50 HydrophobicContact CD1-CB 3.9Å; H46-A50 VanDerWaalsContact O-CB 3.29Å; H46-A50 WeakPolarHBondContact O-CB 3.45Å; H46-A50 PolarHBondContact O-N 2.81Å; S47-A50 WeakPolarHBondContact O-CB 3.13Å; S47-A50 PolarHBondContact O-N 2.99Å; M48-A50 PolarHBondContact O-N 2.79Å; A50-K53 PolarHBondContact O-N 2.98Å; A50-A54 WeakPolarHBondContact O-CB 3.43Å; A50-A54 PolarHBondContact O-N 2.82Å
51I98.1Very high96Very high2 Ų254.8 Ų54.81%0.0129%0.288CS..Hα-helixtrans-61-51.5175.5-67.4161.5000110I25 L27 S47 M48 K53 A54 I55 V62 V64 I89I25-I51 HydrophobicContact CB-CG1 4.2Å; I25-I51 HydrophobicContact CD1-CB 4.26Å; I25-I51 HydrophobicContact CD1-CG1 3.63Å; I25-I51 HydrophobicContact CG2-CG1 4.14Å; L27-I51 HydrophobicContact CD2-CD1 3.96Å; S47-I51 WeakPolarHBondContact O-CG1 3.41Å; S47-I51 PolarHBondContact O-N 3.4Å; M48-I51 PolarHBondContact O-N 2.91Å; M48-I51 VanDerWaalsContact O-N 3.16Å; M48-I51 HydrophobicContact SD-CD1 3.99Å; I51-K53 PolarHBondContact O-N 3.47Å; I51-A54 WeakPolarHBondContact O-CB 3.45Å; I51-A54 PolarHBondContact O-N 3.28Å; I51-I55 HydrophobicContact CG2-CD1 4.07Å; I51-I55 WeakPolarHBondContact O-CG1 3.26Å; I51-I55 PolarHBondContact O-N 3.37Å; I51-I55 VanDerWaalsContact O-N 3.12Å; I51-V62 HydrophobicContact CG2-CG1 4.34Å; I51-V64 HydrophobicContact CD1-CG1 4.28Å; I51-V64 HydrophobicContact CD1-CG2 3.56Å; I51-V64 HydrophobicContact CG1-CG2 3.89Å; I51-I89 HydrophobicContact CG2-CG2 3.97Å
52I97.9Very high96.4Very high79 Ų7949.4 Ų49.441%0.40526%0.263SS..Hα-helixtrans-60.9-45.7178.8-61.2-56000111.1M48 A54 I55 E56 L87M48-I52 WeakPolarHBondContact O-CG1 3.34Å; M48-I52 PolarHBondContact O-N 2.77Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.25Å; I52-I55 PolarHBondContact O-N 2.95Å; I52-I55 VanDerWaalsContact O-N 3.16Å; I52-E56 WeakPolarHBondContact O-CB 3.48Å; I52-E56 PolarHBondContact O-N 2.7Å; I52-L87 HydrophobicContact CD1-CD1 4.4Å; I52-L87 HydrophobicContact CD1-CD2 4.09Å
53K98Very high96.8Very high23 Ų2348.3 Ų48.310%0.125%0.245CC..Hα-helixtrans-63.7-34.8178.5-172.261178.7175.60112.2K9 A12 E13 A49 A50 I51 I55 E56 V57K9-K53 HydrophobicContact CG-CB 4.19Å; K9-K53 HydrophobicContact CG-CG 4.1Å; A12-K53 HydrophobicContact CB-CG 3.79Å; E13-K53 VanDerWaalsContact OE1-CE 3.29Å; E13-K53 WeakPolarHBondContact OE1-CE 3.4Å; E13-K53 IonicContact OE1-NZ 2.77Å; E13-K53 PolarHBondContact OE1-NZ 2.81Å; A49-K53 VanDerWaalsContact O-CB 3.26Å; A49-K53 WeakPolarHBondContact O-CB 3.5Å; A49-K53 PolarHBondContact O-N 3.03Å; A50-K53 PolarHBondContact O-N 2.98Å; I51-K53 PolarHBondContact O-N 3.47Å; K53-I55 VanDerWaalsContact C-N 3.34Å; K53-E56 WeakPolarHBondContact CD-OE2 3.46Å; K53-E56 IonicContact NZ-OE1 3.14Å; K53-E56 PolarHBondContact NZ-OE1 2.74Å; K53-E56 IonicContact NZ-OE2 3.95Å; K53-E56 PolarHBondContact O-N 3.09Å; K53-V57 HydrophobicContact CD-CG2 3.91Å; K53-V57 VanDerWaalsContact CE-CG2 3.49Å; K53-V57 HydrophobicContact CG-CG2 4.12Å; K53-V57 WeakPolarHBondContact O-CB 3.48Å; K53-V57 WeakPolarHBondContact O-CG2 3.49Å; K53-V57 PolarHBondContact O-N 3.06Å
54A98.3Very high97Very high0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-65.1-38.5175.900000112.2F8 V23 A50 I51 I52 G58 F59 V62F8-A54 HydrophobicContact CE1-CB 3.77Å; F8-A54 HydrophobicContact CZ-CB 4.06Å; V23-A54 HydrophobicContact CG1-CB 3.65Å; A50-A54 WeakPolarHBondContact O-CB 3.43Å; A50-A54 PolarHBondContact O-N 2.82Å; I51-A54 WeakPolarHBondContact O-CB 3.45Å; I51-A54 PolarHBondContact O-N 3.28Å; I52-A54 VanDerWaalsContact C-N 3.29Å; I52-A54 PolarHBondContact O-N 3.25Å; A54-G58 PolarHBondContact O-N 2.82Å; A54-F59 HydrophobicContact CB-CD2 4.07Å; A54-F59 VanDerWaalsContact O-CD2 3.31Å; A54-F59 WeakPolarHBondContact O-CD2 3.44Å; A54-F59 PolarHBondContact O-N 2.7Å; A54-F59 VanDerWaalsContact O-N 3.09Å; A54-V62 HydrophobicContact CB-CB 4.48Å; A54-V62 HydrophobicContact CB-CG1 3.96Å; A54-V62 HydrophobicContact CB-CG2 3.64Å
55I97.9Very high97.1Very high47 Ų4746.7 Ų46.724%0.24124%0.238CC..Hα-helixtrans-67.3-49.4175.3-62.5161.4000109.8I51 I52 K53 V57 G58 V62 L87 P88 I89I51-I55 HydrophobicContact CG2-CD1 4.07Å; I51-I55 WeakPolarHBondContact O-CG1 3.26Å; I51-I55 PolarHBondContact O-N 3.37Å; I51-I55 VanDerWaalsContact O-N 3.12Å; I52-I55 PolarHBondContact O-N 2.95Å; I52-I55 VanDerWaalsContact O-N 3.16Å; K53-I55 VanDerWaalsContact C-N 3.34Å; I55-V57 PolarHBondContact O-N 3.09Å; I55-G58 WeakPolarHBondContact O-CA 3.14Å; I55-G58 PolarHBondContact O-N 3.33Å; I55-V62 HydrophobicContact CG1-CG2 4.23Å; I55-L87 HydrophobicContact CD1-CB 4.26Å; I55-L87 HydrophobicContact CD1-CD2 4.13Å; I55-P88 HydrophobicContact CG1-CG 4.43Å; I55-P88 HydrophobicContact CG2-CG 3.91Å; I55-I89 HydrophobicContact CD1-CG2 3.74Å; I55-I89 HydrophobicContact CG1-CG2 4.21Å
56E97.7Very high97.3Very high132 Ų13239 Ų3962%0.61721%0.205SC*.Hα-helixtrans-57.1-44.8179.9-174.2-160.2133.500112.7I52 K53 G58I52-E56 WeakPolarHBondContact O-CB 3.48Å; I52-E56 PolarHBondContact O-N 2.7Å; K53-E56 WeakPolarHBondContact CD-OE2 3.46Å; K53-E56 IonicContact NZ-OE1 3.14Å; K53-E56 PolarHBondContact NZ-OE1 2.74Å; K53-E56 IonicContact NZ-OE2 3.95Å; K53-E56 PolarHBondContact O-N 3.09Å; E56-G58 PolarHBondContact O-N 2.89Å
57V97.3Very high97.3Very high30 Ų3034.9 Ų34.918%0.18219%0.186CC..THydrogen-bonded Turntrans-70.7-12.3177.8172.30000112.4A12 E13 K16 K53 I55 F59A12-V57 HydrophobicContact CB-CG2 4.18Å; E13-V57 HydrophobicContact CG-CG1 4.41Å; E13-V57 HydrophobicContact CG-CG2 3.72Å; K16-V57 HydrophobicContact CB-CG1 3.61Å; K16-V57 HydrophobicContact CG-CG1 3.8Å; K53-V57 HydrophobicContact CD-CG2 3.91Å; K53-V57 VanDerWaalsContact CE-CG2 3.49Å; K53-V57 HydrophobicContact CG-CG2 4.12Å; K53-V57 WeakPolarHBondContact O-CB 3.48Å; K53-V57 WeakPolarHBondContact O-CG2 3.49Å; K53-V57 PolarHBondContact O-N 3.06Å; I55-V57 PolarHBondContact O-N 3.09Å; V57-F59 HydrophobicContact CB-CD2 4.09Å; V57-F59 HydrophobicContact CB-CE2 4.01Å; V57-F59 HydrophobicContact CG1-CD2 3.99Å; V57-F59 HydrophobicContact CG1-CE2 3.64Å
58G96.8Very high97.4Very high39 Ų3934.8 Ų34.840%0.40219%0.186SC..THydrogen-bonded Turntrans76.542178.300000113.3K16 A54 I55 E56 K60K16-G58 WeakPolarHBondContact CE-O 3.21Å; K16-G58 PolarHBondContact NZ-O 2.78Å; A54-G58 PolarHBondContact O-N 2.82Å; I55-G58 WeakPolarHBondContact O-CA 3.14Å; I55-G58 PolarHBondContact O-N 3.33Å; E56-G58 PolarHBondContact O-N 2.89Å; G58-K60 PolarHBondContact O-N 3.47Å
59F97.7Very high97.4Very high14 Ų1433.6 Ų33.66%0.06118%0.18CC..  trans-60.9136.6165.7-79.1-94.9000109.6F8 A12 L15 K16 L20 V23 A54 V57 S61 V62F8-F59 HydrophobicContact CE2-CZ 4.18Å; F8-F59 HydrophobicContact CZ-CD2 4.36Å; F8-F59 AromaticContact CZ-CE2 3.72Å; F8-F59 HydrophobicContact CZ-CE2 3.72Å; F8-F59 AromaticContact CZ-CZ 3.82Å; F8-F59 HydrophobicContact CZ-CZ 3.82Å; A12-F59 HydrophobicContact CB-CE2 4.28Å; A12-F59 WeakPolarHBondContact O-CZ 3.26Å; L15-F59 HydrophobicContact CB-CZ 4.46Å; K16-F59 HydrophobicContact CB-CE2 4.22Å; K16-F59 HydrophobicContact CB-CZ 3.99Å; L20-F59 HydrophobicContact CB-CE1 4.08Å; L20-F59 HydrophobicContact CD2-CE1 3.78Å; L20-F59 HydrophobicContact CD2-CZ 4.4Å; L20-F59 HydrophobicContact CG-CE1 3.8Å; L20-F59 WeakPolarHBondContact O-CD1 3.47Å; L20-F59 WeakPolarHBondContact O-CE1 3.43Å; V23-F59 HydrophobicContact CB-CD1 4.49Å; V23-F59 HydrophobicContact CG1-CD1 4.44Å; V23-F59 HydrophobicContact CG1-CG 4.38Å; A54-F59 HydrophobicContact CB-CD2 4.07Å; A54-F59 VanDerWaalsContact O-CD2 3.31Å; A54-F59 WeakPolarHBondContact O-CD2 3.44Å; A54-F59 PolarHBondContact O-N 2.7Å; A54-F59 VanDerWaalsContact O-N 3.09Å; V57-F59 HydrophobicContact CB-CD2 4.09Å; V57-F59 HydrophobicContact CB-CE2 4.01Å; V57-F59 HydrophobicContact CG1-CD2 3.99Å; V57-F59 HydrophobicContact CG1-CE2 3.64Å; F59-S61 PolarHBondContact O-N 3.08Å; F59-V62 HydrophobicContact CB-CG2 4.01Å
60K95.7Very high97.3Very high171 Ų17136.2 Ų36.274%0.74319%0.185SC*.SBendtrans-63.6-28.2-177.8-67.3-170.2178.4-175.70112.4N21 G58N21-K60 HydrophobicContact CB-CD 4.22Å; N21-K60 HydrophobicContact CB-CG 4.34Å; N21-K60 WeakPolarHBondContact O-CB 3.33Å; N21-K60 PolarHBondContact O-N 3.08Å; G58-K60 PolarHBondContact O-N 3.47Å
61S96Very high97.2Very high36 Ų3642.6 Ų42.625%0.25222%0.219SC..EExtended strand (participates in β ladder)trans-147.3125.4178.7179.50000110.1N21 S22 V23 F59 K63N21-S61 PolarHBondContact O-N 3.22Å; S22-S61 WeakPolarHBondContact CA-O 3.36Å; V23-S61 PolarHBondContact N-O 3.5Å; F59-S61 PolarHBondContact O-N 3.08Å; S61-K63 VanDerWaalsContact OG-CE 3.23Å; S61-K63 WeakPolarHBondContact OG-CE 3.42Å
62V98.2Very high97.1Very high6 Ų644.1 Ų44.14%0.03623%0.226CC..EExtended strand (participates in β ladder)trans-117.5112.9175-176.50000107.6V23 I51 A54 I55 F59 I89 E90V23-V62 HydrophobicContact CG1-CG1 4.26Å; V23-V62 HydrophobicContact CG1-CG2 4.24Å; I51-V62 HydrophobicContact CG2-CG1 4.34Å; A54-V62 HydrophobicContact CB-CB 4.48Å; A54-V62 HydrophobicContact CB-CG1 3.96Å; A54-V62 HydrophobicContact CB-CG2 3.64Å; I55-V62 HydrophobicContact CG1-CG2 4.23Å; F59-V62 HydrophobicContact CB-CG2 4.01Å; V62-I89 HydrophobicContact CB-CG2 4.09Å; V62-I89 HydrophobicContact CG1-CG2 3.92Å; V62-I89 WeakPolarHBondContact O-CA 3.36Å; V62-E90 PolarHBondContact O-N 2.96Å
63K98Very high97.1Very high48 Ų4840.5 Ų40.521%0.20921%0.207CC..EExtended strand (participates in β ladder)trans-108.8140.5-179.1-64.5169.9-177.7-171.30109.4V23 N24 I25 S61 E90V23-K63 PolarHBondContact O-N 2.86Å; N24-K63 CarbonylContact C-O 3.47Å; N24-K63 WeakPolarHBondContact CA-O 3.22Å; N24-K63 HydrophobicContact CB-CB 4.22Å; I25-K63 PolarHBondContact N-O 2.69Å; S61-K63 VanDerWaalsContact OG-CE 3.23Å; S61-K63 WeakPolarHBondContact OG-CE 3.42Å; K63-E90 CarbonylContact C-O 3.51Å; K63-E90 VanDerWaalsContact CA-O 3.29Å; K63-E90 WeakPolarHBondContact CA-O 3.29Å; K63-E90 VanDerWaalsContact CE-OE2 3.29Å; K63-E90 WeakPolarHBondContact CE-OE2 3.48Å; K63-E90 HydrophobicContact CG-CB 4.21Å; K63-E90 IonicContact NZ-OE2 3.29Å
64V98.2Very high97.1Very high0 Ų040.9 Ų40.90%021%0.209CC..EExtended strand (participates in β ladder)trans-114.8111.1173-177.90000108I25 L27 I51 F80 I89 E90 V91 R92I25-V64 CarbonylContact O-C 3.16Å; I25-V64 VanDerWaalsContact O-CA 3.27Å; I25-V64 WeakPolarHBondContact O-CA 3.26Å; L27-V64 HydrophobicContact CB-CG1 3.77Å; L27-V64 HydrophobicContact CD2-CG1 4.38Å; I51-V64 HydrophobicContact CD1-CG1 4.28Å; I51-V64 HydrophobicContact CD1-CG2 3.56Å; I51-V64 HydrophobicContact CG1-CG2 3.89Å; V64-F80 HydrophobicContact CG1-CE1 4.28Å; V64-I89 HydrophobicContact CG2-CD1 3.96Å; V64-E90 PolarHBondContact N-O 2.67Å; V64-V91 HydrophobicContact CB-CG2 4.26Å; V64-V91 CarbonylContact O-C 3.58Å; V64-V91 WeakPolarHBondContact O-CA 3.41Å; V64-R92 PolarHBondContact O-N 3.28Å
65N97.4Very high97.1Very high22 Ų2244.8 Ų44.812%0.11823%0.23CC..EExtended strand (participates in β ladder)trans-87.7125.1175.8-80.42.6000109.5N24 I25 S26 L27 I94N24-N65 VanDerWaalsContact CG-CG 3.48Å; N24-N65 PolarHBondContact ND2-ND2 2.61Å; N24-N65 PolarHBondContact ND2-OD1 2.73Å; N24-N65 PolarHBondContact OD1-ND2 3.49Å; N24-N65 PolarHBondContact OD1-OD1 2.72Å; I25-N65 PolarHBondContact O-N 2.8Å; S26-N65 WeakPolarHBondContact CA-O 3.2Å; L27-N65 CarbonylContact C-O 3.51Å; L27-N65 PolarHBondContact N-O 2.8Å; N65-I94 HydrophobicContact CB-CD1 3.82Å
66C97.6Very high97.1Very high2 Ų242.6 Ų42.61%0.01422%0.219CC..EExtended strand (participates in β ladder)trans-124.1112.6174.6176.60000108.9L27 V68 F80 R92 F93 I94L27-C66 WeakPolarHBondContact O-CB 3.49Å; C66-V68 PolarHBondContact O-N 3.05Å; C66-F80 HydrophobicContact CB-CE1 4.24Å; C66-F80 HydrophobicContact CB-CE2 4.44Å; C66-F80 HydrophobicContact CB-CZ 4.15Å; C66-R92 PolarHBondContact N-O 2.96Å; C66-F93 HydrophobicContact CB-CD1 4.29Å; C66-F93 CarbonylContact O-C 3.46Å; C66-F93 WeakPolarHBondContact O-CA 3.06Å; C66-I94 PolarHBondContact O-N 3.25Å
67V96.2Very high97.2Very high7 Ų736.3 Ų36.34%0.04219%0.19CC..EExtended strand (participates in β ladder)trans-77.6116.1172179.60000108.6D28 M69 N73 I94 Y96 I256D28-V67 PolarHBondContact OD1-N 3.2Å; V67-M69 HydrophobicContact CG1-CG 4.41Å; V67-N73 PolarHBondContact O-ND2 2.94Å; V67-I94 WeakPolarHBondContact CA-O 3.44Å; V67-I94 HydrophobicContact CG2-CB 4.18Å; V67-I94 HydrophobicContact CG2-CD1 4.41Å; V67-Y96 HydrophobicContact CG1-CD2 3.91Å; V67-I256 HydrophobicContact CB-CG2 4.43Å; V67-I256 HydrophobicContact CG2-CD1 4.31Å; V67-I256 HydrophobicContact CG2-CG2 3.97Å
68V97.5Very high97.2Very high1 Ų136 Ų361%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-91123.7-177-1730000109.4C66 N73 E74 L77 F93 I94 Y96 F110 M115C66-V68 PolarHBondContact O-N 3.05Å; V68-N73 WeakPolarHBondContact CA-OD1 3.23Å; V68-E74 HydrophobicContact CG1-CB 3.91Å; V68-L77 HydrophobicContact CG1-CD2 4.21Å; V68-L77 HydrophobicContact CG2-CD2 3.91Å; V68-F93 HydrophobicContact CG2-CB 3.97Å; V68-F93 HydrophobicContact CG2-CD1 3.72Å; V68-F93 HydrophobicContact CG2-CG 4.25Å; V68-I94 PolarHBondContact N-O 3.48Å; V68-Y96 PolarHBondContact O-N 3.19Å; V68-F110 HydrophobicContact CG1-CB 4.06Å; V68-F110 HydrophobicContact CG1-CD1 3.92Å; V68-F110 HydrophobicContact CG1-CG 4.31Å; V68-M115 HydrophobicContact CB-CE 4.49Å; V68-M115 HydrophobicContact CB-SD 3.91Å; V68-M115 HydrophobicContact CG1-CG 4.38Å; V68-M115 HydrophobicContact CG1-SD 4.22Å; V68-M115 HydrophobicContact CG2-SD 3.73Å
69M95.8Very high97.3Very high16 Ų1638 Ų388%0.07919%0.19CC..BIsolated β-bridgetrans-123.6131.9-179.4-69.6174.5-74.800109.2L38 V67 F72 N73 Y96 K108L38-M69 HydrophobicContact CD1-CE 3.82Å; L38-M69 HydrophobicContact CD2-CE 3.98Å; V67-M69 HydrophobicContact CG1-CG 4.41Å; M69-F72 HydrophobicContact CB-CB 3.98Å; M69-F72 HydrophobicContact CE-CD1 3.56Å; M69-F72 HydrophobicContact CE-CE1 3.9Å; M69-F72 HydrophobicContact CE-CG 4.29Å; M69-F72 PolarHBondContact O-N 2.98Å; M69-N73 PolarHBondContact N-OD1 3.34Å; M69-N73 PolarHBondContact O-N 3.13Å; M69-N73 PolarHBondContact O-OD1 3.09Å; M69-Y96 HydrophobicContact CG-CD1 4.32Å; M69-Y96 HydrophobicContact CG-CD2 3.81Å; M69-Y96 HydrophobicContact CG-CE2 4.41Å; M69-Y96 HydrophobicContact CG-CG 3.78Å; M69-Y96 HydrophobicContact SD-CD2 4.01Å; M69-Y96 HydrophobicContact SD-CE2 4.05Å; M69-Y96 HydrophobicContact SD-CG 4.47Å; M69-K108 WeakPolarHBondContact CA-O 3.39Å
70K96Very high97.3Very high85 Ų8537.4 Ų37.437%0.3719%0.187SC..THydrogen-bonded Turntrans-63.1142.9175.9-169.2177.9179.2-172.80111F72 S107 K108 F110K70-F72 PolarHBondContact O-N 3.06Å; K70-S107 WeakPolarHBondContact CD-O 3.29Å; K70-K108 PolarHBondContact N-O 2.86Å; K70-F110 HydrophobicContact CB-CB 4.25Å; K70-F110 HydrophobicContact CB-CD2 4.05Å; K70-F110 HydrophobicContact CD-CD2 4.44Å; K70-F110 HydrophobicContact CG-CD2 4.01Å
71N95.4Very high97.5Very high134 Ų13429.2 Ų29.272%0.71715%0.152SC*.THydrogen-bonded Turntrans56.528.7-173.5-51.7-50.7000113.6E74N71-E74 WeakPolarHBondContact CA-OE1 3.27Å; N71-E74 PolarHBondContact N-OE1 3.24Å; N71-E74 PolarHBondContact N-OE2 3.25Å
72F96Very high97.6Very high34 Ų3430 Ų3015%0.14915%0.152CC..THydrogen-bonded Turntrans-136.2-60.7-179-171.2-101.5000113.5R34 K37 L38 M69 K70 E74R34-F72 HydrophobicContact CB-CE1 4.32Å; R34-F72 HydrophobicContact CB-CZ 3.98Å; R34-F72 WeakPolarHBondContact CD-O 3.42Å; R34-F72 HydrophobicContact CG-CZ 4.35Å; R34-F72 PolarHBondContact NE-O 2.76Å; R34-F72 VanDerWaalsContact NE-O 3.09Å; R34-F72 PolarHBondContact NH1-O 2.67Å; R34-F72 VanDerWaalsContact NH1-O 3.13Å; R34-F72 PolarHBondContact NH2-O 3.16Å; K37-F72 HydrophobicContact CD-CE2 4.16Å; K37-F72 HydrophobicContact CG-CE2 4.47Å; L38-F72 HydrophobicContact CB-CE1 4.26Å; L38-F72 HydrophobicContact CB-CZ 3.95Å; L38-F72 HydrophobicContact CD2-CE1 4.2Å; M69-F72 HydrophobicContact CB-CB 3.98Å; M69-F72 HydrophobicContact CE-CD1 3.56Å; M69-F72 HydrophobicContact CE-CE1 3.9Å; M69-F72 HydrophobicContact CE-CG 4.29Å; M69-F72 PolarHBondContact O-N 2.98Å; K70-F72 PolarHBondContact O-N 3.06Å; F72-E74 PolarHBondContact N-OE2 3.46Å
73N97.7Very high97.6Very high3 Ų331.6 Ų31.62%0.01616%0.16CC..THydrogen-bonded Turntrans-139.24.1-17466.6-8.5000113.7D28 V67 V68 M69 D75 E76D28-N73 PolarHBondContact O-ND2 3.38Å; V67-N73 PolarHBondContact O-ND2 2.94Å; V68-N73 WeakPolarHBondContact CA-OD1 3.23Å; M69-N73 PolarHBondContact N-OD1 3.34Å; M69-N73 PolarHBondContact O-N 3.13Å; M69-N73 PolarHBondContact O-OD1 3.09Å; N73-D75 PolarHBondContact O-N 2.84Å; N73-E76 WeakPolarHBondContact O-CB 3.27Å; N73-E76 PolarHBondContact O-N 3.45Å
74E97.7Very high97.6Very high31 Ų3129.4 Ų29.415%0.14515%0.15CC..G310 helixtrans-64.4-20.7177.975.3-86.5-146.700112.7V68 N71 F72 E76 L77 F110V68-E74 HydrophobicContact CG1-CB 3.91Å; N71-E74 WeakPolarHBondContact CA-OE1 3.27Å; N71-E74 PolarHBondContact N-OE1 3.24Å; N71-E74 PolarHBondContact N-OE2 3.25Å; F72-E74 PolarHBondContact N-OE2 3.46Å; E74-E76 PolarHBondContact O-N 2.94Å; E74-L77 HydrophobicContact CB-CD1 4.47Å; E74-L77 WeakPolarHBondContact O-CD1 3.23Å; E74-L77 WeakPolarHBondContact O-CG 3.45Å; E74-L77 PolarHBondContact O-N 3.12Å; E74-F110 HydrophobicContact CB-CD1 3.85Å; E74-F110 HydrophobicContact CB-CD2 4.14Å; E74-F110 HydrophobicContact CB-CE1 3.88Å; E74-F110 HydrophobicContact CB-CE2 4.16Å; E74-F110 HydrophobicContact CB-CG 3.98Å; E74-F110 HydrophobicContact CB-CZ 4.03Å; E74-F110 HydrophobicContact CG-CD2 4.14Å; E74-F110 HydrophobicContact CG-CE1 4.41Å; E74-F110 HydrophobicContact CG-CE2 3.89Å; E74-F110 HydrophobicContact CG-CG 4.49Å; E74-F110 HydrophobicContact CG-CZ 4.03Å
75D98.1Very high97.6Very high82 Ų8234.2 Ų34.244%0.43917%0.169SC..G310 helixtrans-69.2-17.2172.962.3-56.1000113K31 R34 N73K31-D75 IonicContact NZ-OD2 3.22Å; K31-D75 PolarHBondContact NZ-OD2 2.87Å; R34-D75 IonicContact CZ-OD1 2.72Å; R34-D75 VanDerWaalsContact CZ-OD1 3.29Å; R34-D75 IonicContact CZ-OD2 3.74Å; R34-D75 IonicContact NH1-OD1 3.93Å; R34-D75 PolarHBondContact NH1-OD1 3.5Å; R34-D75 IonicContact NH1-OD2 3.5Å; R34-D75 PolarHBondContact NH1-OD2 3.22Å; R34-D75 VanDerWaalsContact NH2-CG 3.33Å; R34-D75 IonicContact NH2-OD1 2.63Å; R34-D75 PolarHBondContact NH2-OD1 2.9Å; R34-D75 IonicContact NH2-OD2 3.08Å; R34-D75 PolarHBondContact NH2-OD2 3.34Å; N73-D75 PolarHBondContact O-N 2.84Å
76E98.5Very high97.5Very high1 Ų140.8 Ų40.81%0.00519%0.193CC..G310 helixtrans-93.62.5179.4-62.9175.2-97.700113S29 L30 K31 R34 N73 E74 C78 D79 F80S29-E76 PolarHBondContact OG-OE1 2.8Å; S29-E76 PolarHBondContact OG-OE2 3.26Å; L30-E76 WeakPolarHBondContact CA-OE2 3.4Å; L30-E76 PolarHBondContact N-OE2 3.4Å; K31-E76 HydrophobicContact CD-CG 4.37Å; K31-E76 PolarHBondContact N-OE2 3.16Å; R34-E76 WeakPolarHBondContact CD-OE1 3.34Å; R34-E76 IonicContact CZ-OE1 2.73Å; R34-E76 IonicContact NE-OE1 2.86Å; R34-E76 VanDerWaalsContact NH1-CD 3.28Å; R34-E76 IonicContact NH1-OE1 3.92Å; R34-E76 PolarHBondContact NH1-OE1 3.09Å; N73-E76 WeakPolarHBondContact O-CB 3.27Å; N73-E76 PolarHBondContact O-N 3.45Å; E74-E76 PolarHBondContact O-N 2.94Å; E76-C78 VanDerWaalsContact C-N 3.3Å; E76-C78 PolarHBondContact O-N 2.9Å; E76-D79 WeakPolarHBondContact O-CB 3.41Å; E76-D79 PolarHBondContact O-N 2.97Å; E76-D79 VanDerWaalsContact O-N 3.08Å; E76-F80 HydrophobicContact CB-CD2 4.13Å; E76-F80 HydrophobicContact CB-CE2 4.3Å; E76-F80 WeakPolarHBondContact O-CD2 3.42Å; E76-F80 PolarHBondContact O-N 3.46Å
77L98.6Very high97.6Very high1 Ų142.3 Ų42.31%0.00520%0.2CC..Hα-helixtrans-52.7-47.2-177.1-77.6170.2000112.3V68 E74 F80 V81 F93 F110 M115 I118 I119V68-L77 HydrophobicContact CG1-CD2 4.21Å; V68-L77 HydrophobicContact CG2-CD2 3.91Å; E74-L77 HydrophobicContact CB-CD1 4.47Å; E74-L77 WeakPolarHBondContact O-CD1 3.23Å; E74-L77 WeakPolarHBondContact O-CG 3.45Å; E74-L77 PolarHBondContact O-N 3.12Å; L77-F80 PolarHBondContact O-N 3.35Å; L77-V81 WeakPolarHBondContact O-CG2 3.2Å; L77-V81 PolarHBondContact O-N 3.21Å; L77-V81 VanDerWaalsContact O-N 3.08Å; L77-F93 HydrophobicContact CD2-CD1 3.65Å; L77-F93 HydrophobicContact CD2-CD2 4.44Å; L77-F93 HydrophobicContact CD2-CE1 3.67Å; L77-F93 HydrophobicContact CD2-CE2 4.45Å; L77-F93 HydrophobicContact CD2-CG 4.05Å; L77-F93 HydrophobicContact CD2-CZ 4.08Å; L77-F110 HydrophobicContact CD1-CD1 4.43Å; L77-F110 HydrophobicContact CD1-CE1 3.85Å; L77-M115 HydrophobicContact CD1-CB 4.13Å; L77-M115 HydrophobicContact CD1-CG 4.06Å; L77-M115 HydrophobicContact CD2-CB 4.33Å; L77-M115 HydrophobicContact CD2-CG 4.08Å; L77-M115 HydrophobicContact CD2-SD 4.27Å; L77-I118 HydrophobicContact CD1-CB 4.35Å; L77-I118 HydrophobicContact CD1-CD1 4.12Å; L77-I118 HydrophobicContact CD1-CG2 4.28Å; L77-I119 HydrophobicContact CB-CD1 4.47Å; L77-I119 HydrophobicContact CB-CG1 4.31Å; L77-I119 HydrophobicContact CD2-CD1 4.41Å
78C98.5Very high97.6Very high23 Ų2345.4 Ų45.416%0.15522%0.221CC..Hα-helixtrans-72.1-33.2-179.6-64.10000112E76 F80 V81 E82 S122 Y123E76-C78 VanDerWaalsContact C-N 3.3Å; E76-C78 PolarHBondContact O-N 2.9Å; C78-F80 VanDerWaalsContact C-N 3.32Å; C78-F80 PolarHBondContact O-N 3Å; C78-V81 WeakPolarHBondContact O-CB 3.46Å; C78-V81 PolarHBondContact O-N 3.45Å; C78-E82 PolarHBondContact O-N 3.16Å; C78-S122 PolarHBondContact SG-OG 3.5Å; C78-Y123 HydrophobicContact CB-CE2 3.98Å; C78-Y123 PolarHBondContact O-OH 3.12Å
79D98.4Very high97.7Very high81 Ų8145.5 Ų45.543%0.43322%0.221SC..Hα-helixtrans-63.5-41.4176.3-56.2-31.1000111L30 E76 E82 L83L30-D79 HydrophobicContact CD1-CB 3.75Å; E76-D79 WeakPolarHBondContact O-CB 3.41Å; E76-D79 PolarHBondContact O-N 2.97Å; E76-D79 VanDerWaalsContact O-N 3.08Å; D79-E82 PolarHBondContact O-N 3.32Å; D79-L83 PolarHBondContact O-N 2.96Å
80F98.6Very high97.8Very high1 Ų145.7 Ų45.70%0.00422%0.222CC..Hα-helixtrans-65.1-39.4172.7-91.1-74.7000112.9L27 L30 V64 C66 E76 L77 C78 L83 V91 F93L27-F80 HydrophobicContact CD2-CE1 4.21Å; L27-F80 HydrophobicContact CG-CE1 4.22Å; L27-F80 HydrophobicContact CG-CZ 4.23Å; L27-F80 VanDerWaalsContact O-CZ 3.27Å; L27-F80 WeakPolarHBondContact O-CZ 3.44Å; L30-F80 HydrophobicContact CD1-CD1 4.46Å; L30-F80 HydrophobicContact CD1-CD2 4.33Å; L30-F80 HydrophobicContact CD1-CG 4.28Å; L30-F80 HydrophobicContact CD2-CD1 4.05Å; L30-F80 HydrophobicContact CD2-CE1 3.57Å; L30-F80 HydrophobicContact CD2-CE2 4.23Å; L30-F80 HydrophobicContact CD2-CZ 3.67Å; L30-F80 HydrophobicContact CG-CD1 4.28Å; L30-F80 HydrophobicContact CG-CD2 4.08Å; L30-F80 HydrophobicContact CG-CE1 4.03Å; L30-F80 HydrophobicContact CG-CE2 3.81Å; L30-F80 HydrophobicContact CG-CG 4.31Å; L30-F80 HydrophobicContact CG-CZ 3.78Å; V64-F80 HydrophobicContact CG1-CE1 4.28Å; C66-F80 HydrophobicContact CB-CE1 4.24Å; C66-F80 HydrophobicContact CB-CE2 4.44Å; C66-F80 HydrophobicContact CB-CZ 4.15Å; E76-F80 HydrophobicContact CB-CD2 4.13Å; E76-F80 HydrophobicContact CB-CE2 4.3Å; E76-F80 WeakPolarHBondContact O-CD2 3.42Å; E76-F80 PolarHBondContact O-N 3.46Å; L77-F80 PolarHBondContact O-N 3.35Å; C78-F80 VanDerWaalsContact C-N 3.32Å; C78-F80 PolarHBondContact O-N 3Å; F80-L83 HydrophobicContact CD1-CD1 4.24Å; F80-L83 WeakPolarHBondContact O-CB 3.4Å; F80-L83 PolarHBondContact O-N 3.2Å; F80-V91 HydrophobicContact CB-CG1 4.11Å; F80-V91 HydrophobicContact CD1-CG1 3.84Å; F80-V91 HydrophobicContact CG-CG1 4.27Å; F80-F93 HydrophobicContact CB-CE1 3.66Å; F80-F93 HydrophobicContact CB-CZ 3.66Å; F80-F93 HydrophobicContact CD2-CE1 4.39Å; F80-F93 HydrophobicContact CG-CE1 4.11Å
81V98.7Very high97.9Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-60.4-49.1174.2173.40000108.9L77 C78 L83 T84 F93 I119 Y123 V142 W145 I149L77-V81 WeakPolarHBondContact O-CG2 3.2Å; L77-V81 PolarHBondContact O-N 3.21Å; L77-V81 VanDerWaalsContact O-N 3.08Å; C78-V81 WeakPolarHBondContact O-CB 3.46Å; C78-V81 PolarHBondContact O-N 3.45Å; V81-L83 PolarHBondContact O-N 3.34Å; V81-L83 VanDerWaalsContact O-N 3.13Å; V81-T84 WeakPolarHBondContact O-CA 3.45Å; V81-T84 VanDerWaalsContact O-CB 3.31Å; V81-T84 WeakPolarHBondContact O-CB 3.37Å; V81-T84 PolarHBondContact O-N 3.24Å; V81-T84 PolarHBondContact O-OG1 2.95Å; V81-F93 HydrophobicContact CG2-CE2 4.02Å; V81-F93 HydrophobicContact CG2-CZ 4.05Å; V81-I119 HydrophobicContact CG2-CD1 3.86Å; V81-I119 HydrophobicContact CG2-CG1 3.98Å; V81-I119 HydrophobicContact CG2-CG2 3.94Å; V81-Y123 HydrophobicContact CB-CD2 4.36Å; V81-Y123 HydrophobicContact CB-CE2 3.84Å; V81-Y123 HydrophobicContact CG1-CD2 3.66Å; V81-Y123 HydrophobicContact CG1-CE2 3.48Å; V81-Y123 VanDerWaalsContact CG1-CE2 3.48Å; V81-Y123 HydrophobicContact CG1-CG 4.32Å; V81-V142 HydrophobicContact CG1-CG2 3.94Å; V81-W145 HydrophobicContact CG1-CH2 4.21Å; V81-W145 HydrophobicContact CG1-CZ3 3.62Å; V81-W145 VanDerWaalsContact O-CZ3 3.23Å; V81-W145 WeakPolarHBondContact O-CZ3 3.45Å; V81-I149 HydrophobicContact CG2-CD1 4.23Å; V81-I149 HydrophobicContact CG2-CG2 4.09Å
82E98.3Very high98Very high53 Ų5336.1 Ų36.125%0.24817%0.174CC..Hα-helixtrans-55.8-32.3-178.9-165.266.3-154.300113.2C78 D79 T84 R85 Y123 W145C78-E82 PolarHBondContact O-N 3.16Å; D79-E82 PolarHBondContact O-N 3.32Å; E82-T84 PolarHBondContact O-N 3.13Å; E82-R85 WeakPolarHBondContact O-CB 3.49Å; E82-R85 PolarHBondContact O-N 2.86Å; E82-R85 WeakPolarHBondContact OE1-CD 3.35Å; E82-R85 IonicContact OE1-CZ 3.68Å; E82-R85 IonicContact OE1-NE 3.81Å; E82-R85 IonicContact OE1-NH1 2.75Å; E82-R85 PolarHBondContact OE1-NH1 3.42Å; E82-R85 IonicContact OE2-NH1 3.81Å; E82-Y123 PolarHBondContact OE2-OH 3.32Å; E82-W145 VanDerWaalsContact OE2-CH2 3.22Å; E82-W145 WeakPolarHBondContact OE2-CH2 3.33Å
83L97.8Very high98.1Very high38 Ų3834.6 Ų34.620%0.19917%0.167CC..Hα-helixtrans-55.9-34.9172.9-68.1179.5000112.8L30 D79 F80 V81 R85 Y86 L87 I89L30-L83 HydrophobicContact CD1-CD1 3.92Å; L30-L83 HydrophobicContact CD1-CG 4.23Å; L30-L83 HydrophobicContact CD2-CD1 3.71Å; L30-L83 HydrophobicContact CG-CD1 4.48Å; D79-L83 PolarHBondContact O-N 2.96Å; F80-L83 HydrophobicContact CD1-CD1 4.24Å; F80-L83 WeakPolarHBondContact O-CB 3.4Å; F80-L83 PolarHBondContact O-N 3.2Å; V81-L83 PolarHBondContact O-N 3.34Å; V81-L83 VanDerWaalsContact O-N 3.13Å; L83-R85 PolarHBondContact O-N 2.98Å; L83-Y86 PolarHBondContact O-N 2.72Å; L83-L87 WeakPolarHBondContact O-CB 3.24Å; L83-L87 PolarHBondContact O-N 2.63Å; L83-I89 HydrophobicContact CB-CD1 4.23Å
84T98.4Very high98.1Very high2 Ų235 Ų351%0.01217%0.169CC..Hα-helixtrans-72.6-11.6-179.672.30000112.8V81 E82 Y86 I89 V91 L146 G147 K148 I149V81-T84 WeakPolarHBondContact O-CA 3.45Å; V81-T84 VanDerWaalsContact O-CB 3.31Å; V81-T84 WeakPolarHBondContact O-CB 3.37Å; V81-T84 PolarHBondContact O-N 3.24Å; V81-T84 PolarHBondContact O-OG1 2.95Å; E82-T84 PolarHBondContact O-N 3.13Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 2.95Å; T84-I89 HydrophobicContact CG2-CG1 4.32Å; T84-V91 HydrophobicContact CG2-CB 4.28Å; T84-V91 HydrophobicContact CG2-CG2 3.7Å; T84-L146 PolarHBondContact O-N 3.15Å; T84-G147 WeakPolarHBondContact O-CA 3.31Å; T84-G147 PolarHBondContact O-N 3.03Å; T84-K148 WeakPolarHBondContact CG2-O 3.32Å; T84-I149 HydrophobicContact CG2-CG2 4.04Å
85R98.4Very high98Very high102 Ų10233.6 Ų33.639%0.38516%0.162SC..Hα-helixtrans-62-43.5173.9-168.1168.2-158.8166.88.1111.9E82 L83 W145 L146E82-R85 WeakPolarHBondContact O-CB 3.49Å; E82-R85 PolarHBondContact O-N 2.86Å; E82-R85 WeakPolarHBondContact OE1-CD 3.35Å; E82-R85 IonicContact OE1-CZ 3.68Å; E82-R85 IonicContact OE1-NE 3.81Å; E82-R85 IonicContact OE1-NH1 2.75Å; E82-R85 PolarHBondContact OE1-NH1 3.42Å; E82-R85 IonicContact OE2-NH1 3.81Å; L83-R85 PolarHBondContact O-N 2.98Å; R85-W145 HydrophobicContact CB-CD2 3.62Å; R85-W145 HydrophobicContact CB-CE3 3.67Å; R85-W145 HydrophobicContact CB-CG 4.17Å; R85-W145 HydrophobicContact CB-CH2 4.14Å; R85-W145 HydrophobicContact CB-CZ2 4.13Å; R85-W145 HydrophobicContact CB-CZ3 3.93Å; R85-W145 HydrophobicContact CG-CD2 3.74Å; R85-W145 HydrophobicContact CG-CE3 4.3Å; R85-W145 HydrophobicContact CG-CG 4.01Å; R85-W145 HydrophobicContact CG-CZ2 4.02Å; R85-L146 PolarHBondContact O-N 3.36Å
86Y96.1Very high97.7Very high159 Ų15930.2 Ų30.262%0.62414%0.144SC*.Hα-helixtrans-112.8-18.6-171.3-51.9-71.5000113.7L83 T84 L146L83-Y86 PolarHBondContact O-N 2.72Å; T84-Y86 VanDerWaalsContact C-N 3.33Å; T84-Y86 PolarHBondContact O-N 2.95Å; Y86-L146 WeakPolarHBondContact O-CD1 3.01Å
87L98Very high97.3Very high34 Ų3431.1 Ų31.118%0.17815%0.148CC..SBendtrans-107.9132.9-179-57.7178.9000110.5I52 I55 L83 I89 G147I52-L87 HydrophobicContact CD1-CD1 4.4Å; I52-L87 HydrophobicContact CD1-CD2 4.09Å; I55-L87 HydrophobicContact CD1-CB 4.26Å; I55-L87 HydrophobicContact CD1-CD2 4.13Å; L83-L87 WeakPolarHBondContact O-CB 3.24Å; L83-L87 PolarHBondContact O-N 2.63Å; L87-I89 HydrophobicContact CB-CD1 4.1Å; L87-I89 HydrophobicContact CB-CG1 3.95Å; L87-I89 HydrophobicContact CB-CG2 4.08Å; L87-I89 HydrophobicContact CD1-CD1 4.18Å; L87-I89 PolarHBondContact O-N 2.96Å; L87-G147 WeakPolarHBondContact O-CA 3.32Å; L87-G147 PolarHBondContact O-N 2.87Å
88P97.9Very high96.6Very high72 Ų7231.1 Ų31.147%0.46815%0.148SC..  trans-77.157.3175.934.4-37.5000111.2I55I55-P88 HydrophobicContact CG1-CG 4.43Å; I55-P88 HydrophobicContact CG2-CG 3.91Å
89I98.3Very high95.7Very high4 Ų431.2 Ų31.22%0.02115%0.146CC..  trans-114.7158.4-178.964.6176.7000110.9I51 I55 V62 V64 L83 T84 L87 V91 G147 K148I51-I89 HydrophobicContact CG2-CG2 3.97Å; I55-I89 HydrophobicContact CD1-CG2 3.74Å; I55-I89 HydrophobicContact CG1-CG2 4.21Å; V62-I89 HydrophobicContact CB-CG2 4.09Å; V62-I89 HydrophobicContact CG1-CG2 3.92Å; V62-I89 WeakPolarHBondContact O-CA 3.36Å; V64-I89 HydrophobicContact CG2-CD1 3.96Å; L83-I89 HydrophobicContact CB-CD1 4.23Å; T84-I89 HydrophobicContact CG2-CG1 4.32Å; L87-I89 HydrophobicContact CB-CD1 4.1Å; L87-I89 HydrophobicContact CB-CG1 3.95Å; L87-I89 HydrophobicContact CB-CG2 4.08Å; L87-I89 HydrophobicContact CD1-CD1 4.18Å; L87-I89 PolarHBondContact O-N 2.96Å; I89-V91 HydrophobicContact CD1-CG2 3.92Å; I89-V91 HydrophobicContact CG1-CG2 4.29Å; I89-G147 CarbonylContact O-C 3.57Å; I89-G147 WeakPolarHBondContact O-CA 3.47Å; I89-K148 PolarHBondContact O-N 3.24Å
90E98.2Very high94.7Very high20 Ų2030.8 Ų30.89%0.09315%0.149CC..EExtended strand (participates in β ladder)trans-108.9109.4168-174.1-163.9153.200109.5V62 K63 V64 R92 H139 K148V62-E90 PolarHBondContact O-N 2.96Å; K63-E90 CarbonylContact C-O 3.51Å; K63-E90 VanDerWaalsContact CA-O 3.29Å; K63-E90 WeakPolarHBondContact CA-O 3.29Å; K63-E90 VanDerWaalsContact CE-OE2 3.29Å; K63-E90 WeakPolarHBondContact CE-OE2 3.48Å; K63-E90 HydrophobicContact CG-CB 4.21Å; K63-E90 IonicContact NZ-OE2 3.29Å; V64-E90 PolarHBondContact N-O 2.67Å; E90-R92 VanDerWaalsContact CD-NE 3.32Å; E90-R92 HydrophobicContact CG-CG 4.28Å; E90-R92 IonicContact OE1-CZ 3.05Å; E90-R92 IonicContact OE1-NE 3.67Å; E90-R92 PolarHBondContact OE1-NE 2.59Å; E90-R92 IonicContact OE1-NH2 2.67Å; E90-R92 PolarHBondContact OE1-NH2 3.4Å; E90-R92 IonicContact OE2-CZ 2.86Å; E90-R92 IonicContact OE2-NE 2.72Å; E90-R92 PolarHBondContact OE2-NE 2.8Å; E90-R92 IonicContact OE2-NH2 2.69Å; E90-R92 PolarHBondContact OE2-NH2 2.81Å; E90-R92 VanDerWaalsContact OE2-NH2 3.08Å; E90-H139 IonicContact OE1-CE1 2.84Å; E90-H139 PolarHBondContact OE1-CE1 3.24Å; E90-H139 IonicContact OE1-ND1 3.86Å; E90-H139 PolarHBondContact OE1-ND1 3.49Å; E90-K148 CarbonylContact C-O 3.53Å; E90-K148 VanDerWaalsContact CA-O 3.24Å; E90-K148 WeakPolarHBondContact CA-O 3.36Å; E90-K148 HydrophobicContact CB-CB 4.48Å; E90-K148 HydrophobicContact CG-CB 4.18Å
91V98.6Very high93.7Very high0 Ų033.8 Ų33.80%018%0.18CC..EExtended strand (participates in β ladder)trans-84.2117.1174.2-178.40000109.5V64 F80 T84 I89 F93 K148 I149 G150V64-V91 HydrophobicContact CB-CG2 4.26Å; V64-V91 CarbonylContact O-C 3.58Å; V64-V91 WeakPolarHBondContact O-CA 3.41Å; F80-V91 HydrophobicContact CB-CG1 4.11Å; F80-V91 HydrophobicContact CD1-CG1 3.84Å; F80-V91 HydrophobicContact CG-CG1 4.27Å; T84-V91 HydrophobicContact CG2-CB 4.28Å; T84-V91 HydrophobicContact CG2-CG2 3.7Å; I89-V91 HydrophobicContact CD1-CG2 3.92Å; I89-V91 HydrophobicContact CG1-CG2 4.29Å; V91-F93 HydrophobicContact CG1-CD1 4.41Å; V91-F93 HydrophobicContact CG1-CE1 3.94Å; V91-F93 HydrophobicContact CG1-CE2 4.44Å; V91-F93 HydrophobicContact CG1-CZ 3.96Å; V91-K148 PolarHBondContact N-O 3.18Å; V91-I149 HydrophobicContact CB-CG2 4.42Å; V91-I149 CarbonylContact O-C 3.54Å; V91-I149 WeakPolarHBondContact O-CA 3.25Å; V91-G150 PolarHBondContact O-N 2.88Å
92R97.8Very high92.9Very high18 Ų1835.1 Ų35.17%0.06819%0.187CC..EExtended strand (participates in β ladder)trans-101.8105.9179.7-66.6-175.8174.2-149.3-10.7110.2V64 C66 E90 G150 I152V64-R92 PolarHBondContact O-N 3.28Å; C66-R92 PolarHBondContact N-O 2.96Å; E90-R92 VanDerWaalsContact CD-NE 3.32Å; E90-R92 HydrophobicContact CG-CG 4.28Å; E90-R92 IonicContact OE1-CZ 3.05Å; E90-R92 IonicContact OE1-NE 3.67Å; E90-R92 PolarHBondContact OE1-NE 2.59Å; E90-R92 IonicContact OE1-NH2 2.67Å; E90-R92 PolarHBondContact OE1-NH2 3.4Å; E90-R92 IonicContact OE2-CZ 2.86Å; E90-R92 IonicContact OE2-NE 2.72Å; E90-R92 PolarHBondContact OE2-NE 2.8Å; E90-R92 IonicContact OE2-NH2 2.69Å; E90-R92 PolarHBondContact OE2-NH2 2.81Å; E90-R92 VanDerWaalsContact OE2-NH2 3.08Å; R92-G150 CarbonylContact C-O 3.53Å; R92-G150 VanDerWaalsContact CA-O 3.26Å; R92-G150 WeakPolarHBondContact CA-O 3.45Å; R92-I152 HydrophobicContact CB-CD1 4.37Å
93F98.4Very high92.2Very high1 Ų139.8 Ų39.80%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-76125.4169-58.6-63.6000109.6C66 V68 L77 F80 V81 V91 M115 I119 I149 G150 F151 I152C66-F93 HydrophobicContact CB-CD1 4.29Å; C66-F93 CarbonylContact O-C 3.46Å; C66-F93 WeakPolarHBondContact O-CA 3.06Å; V68-F93 HydrophobicContact CG2-CB 3.97Å; V68-F93 HydrophobicContact CG2-CD1 3.72Å; V68-F93 HydrophobicContact CG2-CG 4.25Å; L77-F93 HydrophobicContact CD2-CD1 3.65Å; L77-F93 HydrophobicContact CD2-CD2 4.44Å; L77-F93 HydrophobicContact CD2-CE1 3.67Å; L77-F93 HydrophobicContact CD2-CE2 4.45Å; L77-F93 HydrophobicContact CD2-CG 4.05Å; L77-F93 HydrophobicContact CD2-CZ 4.08Å; F80-F93 HydrophobicContact CB-CE1 3.66Å; F80-F93 HydrophobicContact CB-CZ 3.66Å; F80-F93 HydrophobicContact CD2-CE1 4.39Å; F80-F93 HydrophobicContact CG-CE1 4.11Å; V81-F93 HydrophobicContact CG2-CE2 4.02Å; V81-F93 HydrophobicContact CG2-CZ 4.05Å; V91-F93 HydrophobicContact CG1-CD1 4.41Å; V91-F93 HydrophobicContact CG1-CE1 3.94Å; V91-F93 HydrophobicContact CG1-CE2 4.44Å; V91-F93 HydrophobicContact CG1-CZ 3.96Å; F93-M115 HydrophobicContact CB-SD 3.69Å; F93-M115 HydrophobicContact CG-SD 4.43Å; F93-I119 HydrophobicContact CD2-CD1 4.07Å; F93-I119 HydrophobicContact CE2-CD1 3.64Å; F93-I119 HydrophobicContact CZ-CD1 4.31Å; F93-I149 HydrophobicContact CE2-CB 4.19Å; F93-I149 HydrophobicContact CE2-CD1 4.38Å; F93-I149 HydrophobicContact CE2-CG2 4.18Å; F93-G150 PolarHBondContact N-O 3.21Å; F93-F151 HydrophobicContact CB-CD1 4Å; F93-F151 HydrophobicContact CB-CE1 4.27Å; F93-F151 HydrophobicContact CD2-CD1 4.22Å; F93-F151 AromaticContact CD2-CE1 3.77Å; F93-F151 HydrophobicContact CD2-CE1 3.77Å; F93-F151 HydrophobicContact CD2-CZ 4.24Å; F93-F151 HydrophobicContact CG-CE1 4.4Å; F93-F151 CarbonylContact O-C 3.14Å; F93-F151 WeakPolarHBondContact O-CA 3.14Å; F93-I152 PolarHBondContact O-N 3.33Å
94I96.3Very high91.5Very high13 Ų1339.6 Ų39.67%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-114.7127-176.4-49.1-176.1000107.7N65 C66 V67 V68 Y96 M97 I152N65-I94 HydrophobicContact CB-CD1 3.82Å; C66-I94 PolarHBondContact O-N 3.25Å; V67-I94 WeakPolarHBondContact CA-O 3.44Å; V67-I94 HydrophobicContact CG2-CB 4.18Å; V67-I94 HydrophobicContact CG2-CD1 4.41Å; V68-I94 PolarHBondContact N-O 3.48Å; I94-Y96 PolarHBondContact O-N 3.3Å; I94-M97 HydrophobicContact CG2-CE 4.1Å; I94-I152 HydrophobicContact CB-CB 4.39Å; I94-I152 HydrophobicContact CD1-CD1 4.12Å; I94-I152 HydrophobicContact CG1-CB 4.16Å; I94-I152 HydrophobicContact CG1-CD1 4.03Å; I94-I152 HydrophobicContact CG1-CG1 4.44Å; I94-I152 HydrophobicContact CG2-CB 4.18Å; I94-I152 HydrophobicContact CG2-CG2 4.09Å
95E95.3Very high91Very high0 Ų043.9 Ų43.90%023%0.225CC..EExtended strand (participates in β ladder)trans-59.4128.7168.6-71-174.314600109.2M97 L109 T111 F112 M115 I152 T153 S154 M155 T156E95-M97 PolarHBondContact O-N 2.83Å; E95-L109 HydrophobicContact CB-CD1 4.05Å; E95-L109 HydrophobicContact CG-CD1 4.41Å; E95-T111 WeakPolarHBondContact OE1-CA 3.34Å; E95-F112 PolarHBondContact OE1-N 2.79Å; E95-M115 HydrophobicContact CG-CE 3.65Å; E95-I152 PolarHBondContact N-O 2.93Å; E95-I152 VanDerWaalsContact N-O 3.1Å; E95-T153 WeakPolarHBondContact OE2-CA 3.2Å; E95-S154 PolarHBondContact O-OG 2.85Å; E95-S154 PolarHBondContact OE2-N 3.1Å; E95-M155 HydrophobicContact CB-CG 4.42Å; E95-M155 WeakPolarHBondContact OE2-CA 3.3Å; E95-M155 WeakPolarHBondContact OE2-CB 3.36Å; E95-M155 PolarHBondContact OE2-N 3.22Å; E95-T156 WeakPolarHBondContact OE1-CB 3.3Å; E95-T156 VanDerWaalsContact OE1-CG2 3.31Å; E95-T156 WeakPolarHBondContact OE1-CG2 3.21Å; E95-T156 PolarHBondContact OE1-OG1 2.73Å; E95-T156 PolarHBondContact OE2-N 3.44Å; E95-T156 PolarHBondContact OE2-OG1 3.33Å
96Y92.6Very high90.5Very high12 Ų1245.2 Ų45.25%0.04724%0.239CC..  trans-51132.1168.6-174.5-127000108.5V67 V68 M69 I94 N102 H103 W104 K108 M155V67-Y96 HydrophobicContact CG1-CD2 3.91Å; V68-Y96 PolarHBondContact O-N 3.19Å; M69-Y96 HydrophobicContact CG-CD1 4.32Å; M69-Y96 HydrophobicContact CG-CD2 3.81Å; M69-Y96 HydrophobicContact CG-CE2 4.41Å; M69-Y96 HydrophobicContact CG-CG 3.78Å; M69-Y96 HydrophobicContact SD-CD2 4.01Å; M69-Y96 HydrophobicContact SD-CE2 4.05Å; M69-Y96 HydrophobicContact SD-CG 4.47Å; I94-Y96 PolarHBondContact O-N 3.3Å; Y96-N102 PolarHBondContact OH-O 3.38Å; Y96-H103 PolarHBondContact OH-O 3.19Å; Y96-W104 AromaticContact CD1-CE3 3.37Å; Y96-W104 HydrophobicContact CD1-CE3 3.37Å; Y96-W104 HydrophobicContact CD1-CH2 4.45Å; Y96-W104 AromaticContact CD1-CZ3 3.25Å; Y96-W104 HydrophobicContact CD1-CZ3 3.25Å; Y96-W104 HydrophobicContact CE1-CD2 4.37Å; Y96-W104 AromaticContact CE1-CE3 3.38Å; Y96-W104 HydrophobicContact CE1-CE3 3.38Å; Y96-W104 AromaticContact CE1-CZ3 3.81Å; Y96-W104 HydrophobicContact CE1-CZ3 3.81Å; Y96-W104 HydrophobicContact CG-CE3 4.07Å; Y96-W104 AromaticContact CG-CZ3 3.79Å; Y96-W104 HydrophobicContact CG-CZ3 3.79Å; Y96-W104 VanDerWaalsContact O-CH2 3.32Å; Y96-W104 WeakPolarHBondContact O-CH2 3.26Å; Y96-W104 WeakPolarHBondContact O-CZ3 3.18Å; Y96-K108 HydrophobicContact CD1-CB 3.69Å; Y96-K108 HydrophobicContact CE1-CB 3.74Å; Y96-K108 HydrophobicContact CE1-CD 3.91Å; Y96-K108 HydrophobicContact CE1-CG 4.46Å; Y96-M155 WeakPolarHBondContact O-CG 3.23Å
97M89.1Confident90.3Very high20 Ų2041 Ų4110%0.09923%0.233CC..  trans-133.9151.9-17567.7179.2132.800110.3I94 E95 F99 N102 W104 M155 I256I94-M97 HydrophobicContact CG2-CE 4.1Å; E95-M97 PolarHBondContact O-N 2.83Å; M97-F99 HydrophobicContact CE-CE2 3.76Å; M97-F99 HydrophobicContact CE-CZ 3.93Å; M97-F99 HydrophobicContact CG-CD2 4Å; M97-F99 HydrophobicContact CG-CE2 3.35Å; M97-F99 HydrophobicContact CG-CZ 4.03Å; M97-F99 HydrophobicContact SD-CE2 3.63Å; M97-F99 HydrophobicContact SD-CZ 3.71Å; M97-N102 PolarHBondContact O-ND2 2.89Å; M97-W104 VanDerWaalsContact C-CE3 3.47Å; M97-M155 HydrophobicContact CB-CG 4.25Å; M97-M155 HydrophobicContact CB-SD 3.84Å; M97-I256 HydrophobicContact CE-CD1 4.49Å
98P84.8Confident90.1Very high1 Ų142 Ų421%0.00624%0.236CC..  trans-68.8130.7-179.124.5-32.9000112.8W104 M155 A242 L245 A246P98-W104 HydrophobicContact CB-CB 3.99Å; P98-W104 HydrophobicContact CB-CD2 3.78Å; P98-W104 HydrophobicContact CB-CE3 4.37Å; P98-W104 HydrophobicContact CB-CG 3.57Å; P98-W104 HydrophobicContact CG-CD2 4.28Å; P98-M155 VanDerWaalsContact CD-SD 3.52Å; P98-M155 HydrophobicContact CG-CE 4.19Å; P98-M155 HydrophobicContact CG-SD 4.42Å; P98-A242 WeakPolarHBondContact CB-O 3.44Å; P98-A242 HydrophobicContact CG-CB 4.2Å; P98-A242 WeakPolarHBondContact CG-O 3.35Å; P98-L245 HydrophobicContact CB-CB 3.97Å; P98-L245 HydrophobicContact CG-CB 3.53Å; P98-L245 HydrophobicContact CG-CD1 3.84Å; P98-L245 HydrophobicContact CG-CG 4.32Å; P98-A246 HydrophobicContact CB-CB 3.77Å
99F80.6Confident89.9Confident25 Ų2539.7 Ų39.711%0.1122%0.22CC..  trans-134.5153166.4-74.6-79.5000110.1M97 G101 N102 L178 H179 I256M97-F99 HydrophobicContact CE-CE2 3.76Å; M97-F99 HydrophobicContact CE-CZ 3.93Å; M97-F99 HydrophobicContact CG-CD2 4Å; M97-F99 HydrophobicContact CG-CE2 3.35Å; M97-F99 HydrophobicContact CG-CZ 4.03Å; M97-F99 HydrophobicContact SD-CE2 3.63Å; M97-F99 HydrophobicContact SD-CZ 3.71Å; F99-G101 PolarHBondContact O-N 2.92Å; F99-N102 HydrophobicContact CB-CB 4.16Å; F99-N102 PolarHBondContact N-ND2 2.83Å; F99-N102 PolarHBondContact N-OD1 2.89Å; F99-N102 VanDerWaalsContact N-OD1 3.09Å; F99-N102 PolarHBondContact O-N 2.87Å; F99-N102 VanDerWaalsContact O-N 3.13Å; F99-N102 PolarHBondContact O-OD1 3.45Å; F99-L178 HydrophobicContact CE1-CD2 4.19Å; F99-L178 HydrophobicContact CE1-CG 4.15Å; F99-L178 HydrophobicContact CZ-CD2 3.81Å; F99-L178 HydrophobicContact CZ-CG 4.28Å; F99-H179 AromaticContact CE1-CD2 3.92Å; F99-H179 AromaticContact CE1-NE2 3.79Å; F99-H179 AromaticContact CZ-NE2 3.74Å; F99-I256 HydrophobicContact CD2-CD1 4.09Å; F99-I256 HydrophobicContact CE2-CD1 3.65Å
100S75.4Confident89.8Confident71 Ų7140.2 Ų40.250%0.49722%0.222SC..THydrogen-bonded Turntrans-52.6118.4169.9176.60000110.8S248S100-S248 WeakPolarHBondContact CB-O 3.22Å
101G77.8Confident89.8Confident64 Ų6440.7 Ų40.766%0.6623%0.226SC*.THydrogen-bonded Turntrans83.91.1175.400000116.1F99 H103F99-G101 PolarHBondContact O-N 2.92Å; G101-H103 VanDerWaalsContact C-N 3.31Å; G101-H103 PolarHBondContact O-N 2.81Å; G101-H103 PolarHBondContact O-ND1 3.21Å
102N81.9Confident89.6Confident28 Ų2841.4 Ų41.415%0.1523%0.229CC..SBendtrans-87.27.1-179.682.3-20.7000114.8Y96 M97 F99 W104Y96-N102 PolarHBondContact OH-O 3.38Å; M97-N102 PolarHBondContact O-ND2 2.89Å; F99-N102 HydrophobicContact CB-CB 4.16Å; F99-N102 PolarHBondContact N-ND2 2.83Å; F99-N102 PolarHBondContact N-OD1 2.89Å; F99-N102 VanDerWaalsContact N-OD1 3.09Å; F99-N102 PolarHBondContact O-N 2.87Å; F99-N102 VanDerWaalsContact O-N 3.13Å; F99-N102 PolarHBondContact O-OD1 3.45Å; N102-W104 VanDerWaalsContact C-N 3.31Å; N102-W104 PolarHBondContact O-N 2.82Å; N102-W104 WeakPolarHBondContact OD1-CB 3.29Å; N102-W104 PolarHBondContact OD1-N 2.82Å
103H83.7Confident89.6Confident152 Ų15247.2 Ų47.270%0.70426%0.255SS*.  trans53.846.1-178.4-54.786.6000113Y96 G101 E105 K108Y96-H103 PolarHBondContact OH-O 3.19Å; G101-H103 VanDerWaalsContact C-N 3.31Å; G101-H103 PolarHBondContact O-N 2.81Å; G101-H103 PolarHBondContact O-ND1 3.21Å; H103-E105 PolarHBondContact O-N 2.9Å; H103-K108 PolarHBondContact O-NZ 3.31Å
104W83.8Confident89.5Confident33 Ų3350.7 Ų50.713%0.12527%0.272CS..  trans-55131.4175.7169.8-102.1000112.2Y96 M97 P98 N102 L106 L109 M155 A242 A246Y96-W104 AromaticContact CD1-CE3 3.37Å; Y96-W104 HydrophobicContact CD1-CE3 3.37Å; Y96-W104 HydrophobicContact CD1-CH2 4.45Å; Y96-W104 AromaticContact CD1-CZ3 3.25Å; Y96-W104 HydrophobicContact CD1-CZ3 3.25Å; Y96-W104 HydrophobicContact CE1-CD2 4.37Å; Y96-W104 AromaticContact CE1-CE3 3.38Å; Y96-W104 HydrophobicContact CE1-CE3 3.38Å; Y96-W104 AromaticContact CE1-CZ3 3.81Å; Y96-W104 HydrophobicContact CE1-CZ3 3.81Å; Y96-W104 HydrophobicContact CG-CE3 4.07Å; Y96-W104 AromaticContact CG-CZ3 3.79Å; Y96-W104 HydrophobicContact CG-CZ3 3.79Å; Y96-W104 VanDerWaalsContact O-CH2 3.32Å; Y96-W104 WeakPolarHBondContact O-CH2 3.26Å; Y96-W104 WeakPolarHBondContact O-CZ3 3.18Å; M97-W104 VanDerWaalsContact C-CE3 3.47Å; P98-W104 HydrophobicContact CB-CB 3.99Å; P98-W104 HydrophobicContact CB-CD2 3.78Å; P98-W104 HydrophobicContact CB-CE3 4.37Å; P98-W104 HydrophobicContact CB-CG 3.57Å; P98-W104 HydrophobicContact CG-CD2 4.28Å; N102-W104 VanDerWaalsContact C-N 3.31Å; N102-W104 PolarHBondContact O-N 2.82Å; N102-W104 WeakPolarHBondContact OD1-CB 3.29Å; N102-W104 PolarHBondContact OD1-N 2.82Å; W104-L106 HydrophobicContact CZ2-CD1 4.44Å; W104-L109 HydrophobicContact CH2-CB 4.04Å; W104-L109 HydrophobicContact CH2-CD1 4.3Å; W104-M155 HydrophobicContact CH2-CE 4.15Å; W104-M155 HydrophobicContact CH2-CG 4.32Å; W104-M155 HydrophobicContact CZ2-CE 3.94Å; W104-A242 HydrophobicContact CZ2-CB 4.39Å; W104-A246 HydrophobicContact CB-CB 4.4Å
105E87.3Confident89.6Confident92 Ų9250.1 Ų50.143%0.4327%0.269SS..  trans-141.2135.5170.5-67.5165.9-135.500108.3H103 S107 K108H103-E105 PolarHBondContact O-N 2.9Å; E105-S107 WeakPolarHBondContact CB-OG 3.47Å; E105-S107 PolarHBondContact O-N 2.88Å; E105-S107 VanDerWaalsContact O-N 3.16Å; E105-S107 PolarHBondContact OE2-OG 2.7Å; E105-S107 VanDerWaalsContact OE2-OG 3.12Å; E105-K108 HydrophobicContact CB-CD 4.19Å; E105-K108 HydrophobicContact CB-CG 4.22Å; E105-K108 VanDerWaalsContact CD-CE 3.45Å; E105-K108 VanDerWaalsContact CD-NZ 3.34Å; E105-K108 WeakPolarHBondContact O-CB 3.31Å; E105-K108 PolarHBondContact O-N 3.03Å; E105-K108 VanDerWaalsContact OE1-CE 3.28Å; E105-K108 WeakPolarHBondContact OE1-CE 3.39Å; E105-K108 IonicContact OE1-NZ 3.83Å; E105-K108 PolarHBondContact OE1-NZ 3.06Å; E105-K108 IonicContact OE2-NZ 3.93Å
106L88.3Confident89.8Confident130 Ų13051.3 Ų51.368%0.68128%0.275SS*.G310 helixtrans-58.7-29.4176.8-174.764.8000111.9W104 K108 L109W104-L106 HydrophobicContact CZ2-CD1 4.44Å; L106-K108 PolarHBondContact O-N 3.03Å; L106-L109 HydrophobicContact CD1-CB 4.36Å; L106-L109 HydrophobicContact CD1-CD2 3.91Å; L106-L109 WeakPolarHBondContact O-CB 3.34Å; L106-L109 PolarHBondContact O-N 2.81Å
107S92.4Very high90Very high70 Ų7055.3 Ų55.349%0.4930%0.297SS..G310 helixtrans-59.4-24.317560.10000113.6K70 E105K70-S107 WeakPolarHBondContact CD-O 3.29Å; E105-S107 WeakPolarHBondContact CB-OG 3.47Å; E105-S107 PolarHBondContact O-N 2.88Å; E105-S107 VanDerWaalsContact O-N 3.16Å; E105-S107 PolarHBondContact OE2-OG 2.7Å; E105-S107 VanDerWaalsContact OE2-OG 3.12Å
108K93.4Very high90.5Very high56 Ų5657.3 Ų57.324%0.24331%0.307CS..G310 helixtrans-89.7-10.8178.2-62.7173.7-170.8159.50112.7M69 K70 Y96 H103 E105 L106 F110M69-K108 WeakPolarHBondContact CA-O 3.39Å; K70-K108 PolarHBondContact N-O 2.86Å; Y96-K108 HydrophobicContact CD1-CB 3.69Å; Y96-K108 HydrophobicContact CE1-CB 3.74Å; Y96-K108 HydrophobicContact CE1-CD 3.91Å; Y96-K108 HydrophobicContact CE1-CG 4.46Å; H103-K108 PolarHBondContact O-NZ 3.31Å; E105-K108 HydrophobicContact CB-CD 4.19Å; E105-K108 HydrophobicContact CB-CG 4.22Å; E105-K108 VanDerWaalsContact CD-CE 3.45Å; E105-K108 VanDerWaalsContact CD-NZ 3.34Å; E105-K108 WeakPolarHBondContact O-CB 3.31Å; E105-K108 PolarHBondContact O-N 3.03Å; E105-K108 VanDerWaalsContact OE1-CE 3.28Å; E105-K108 WeakPolarHBondContact OE1-CE 3.39Å; E105-K108 IonicContact OE1-NZ 3.83Å; E105-K108 PolarHBondContact OE1-NZ 3.06Å; E105-K108 IonicContact OE2-NZ 3.93Å; L106-K108 PolarHBondContact O-N 3.03Å; K108-F110 PolarHBondContact O-N 3.03Å
109L94.3Very high91.1Very high23 Ų2357.2 Ų57.212%0.1231%0.307CS..BIsolated β-bridgetrans-67.8122.4177.3177.960.7000109.9E95 W104 L106 T111 M155 T156E95-L109 HydrophobicContact CB-CD1 4.05Å; E95-L109 HydrophobicContact CG-CD1 4.41Å; W104-L109 HydrophobicContact CH2-CB 4.04Å; W104-L109 HydrophobicContact CH2-CD1 4.3Å; L106-L109 HydrophobicContact CD1-CB 4.36Å; L106-L109 HydrophobicContact CD1-CD2 3.91Å; L106-L109 WeakPolarHBondContact O-CB 3.34Å; L106-L109 PolarHBondContact O-N 2.81Å; L109-T111 HydrophobicContact CD2-CG2 4.29Å; L109-T111 HydrophobicContact CG-CG2 4.21Å; L109-M155 HydrophobicContact CD1-CB 4.19Å; L109-M155 HydrophobicContact CD1-CG 4.2Å; L109-M155 HydrophobicContact CD2-CB 4.28Å; L109-T156 HydrophobicContact CD2-CG2 4.36Å
110F96.4Very high91.9Very high15 Ų1560.6 Ų60.67%0.06632%0.322CS..  trans-110.7116.9166.4-156.3-105.8000108.3V68 K70 E74 L77 K108 Q114 M115 I118V68-F110 HydrophobicContact CG1-CB 4.06Å; V68-F110 HydrophobicContact CG1-CD1 3.92Å; V68-F110 HydrophobicContact CG1-CG 4.31Å; K70-F110 HydrophobicContact CB-CB 4.25Å; K70-F110 HydrophobicContact CB-CD2 4.05Å; K70-F110 HydrophobicContact CD-CD2 4.44Å; K70-F110 HydrophobicContact CG-CD2 4.01Å; E74-F110 HydrophobicContact CB-CD1 3.85Å; E74-F110 HydrophobicContact CB-CD2 4.14Å; E74-F110 HydrophobicContact CB-CE1 3.88Å; E74-F110 HydrophobicContact CB-CE2 4.16Å; E74-F110 HydrophobicContact CB-CG 3.98Å; E74-F110 HydrophobicContact CB-CZ 4.03Å; E74-F110 HydrophobicContact CG-CD2 4.14Å; E74-F110 HydrophobicContact CG-CE1 4.41Å; E74-F110 HydrophobicContact CG-CE2 3.89Å; E74-F110 HydrophobicContact CG-CG 4.49Å; E74-F110 HydrophobicContact CG-CZ 4.03Å; L77-F110 HydrophobicContact CD1-CD1 4.43Å; L77-F110 HydrophobicContact CD1-CE1 3.85Å; K108-F110 PolarHBondContact O-N 3.03Å; F110-Q114 HydrophobicContact CD1-CB 4.19Å; F110-Q114 HydrophobicContact CE1-CB 3.7Å; F110-Q114 HydrophobicContact CE2-CB 4.13Å; F110-Q114 HydrophobicContact CZ-CB 3.67Å; F110-M115 HydrophobicContact CD1-CG 3.52Å; F110-M115 HydrophobicContact CE1-CG 3.91Å; F110-M115 VanDerWaalsContact O-CE 3.29Å; F110-M115 WeakPolarHBondContact O-CE 3.38Å; F110-I118 HydrophobicContact CE1-CD1 3.95Å; F110-I118 HydrophobicContact CZ-CD1 3.62Å
111T96.7Very high93Very high31 Ų3162.6 Ų62.619%0.1933%0.327CS..  trans-80.5157-165.765.70000112.6E95 L109 K113 Q114 M115 T156E95-T111 WeakPolarHBondContact OE1-CA 3.34Å; L109-T111 HydrophobicContact CD2-CG2 4.29Å; L109-T111 HydrophobicContact CG-CG2 4.21Å; T111-K113 VanDerWaalsContact C-N 3.28Å; T111-K113 PolarHBondContact O-N 2.85Å; T111-Q114 WeakPolarHBondContact O-CB 3.29Å; T111-Q114 PolarHBondContact O-N 3.48Å; T111-Q114 VanDerWaalsContact O-N 3.09Å; T111-Q114 VanDerWaalsContact OG1-CG 3.26Å; T111-Q114 WeakPolarHBondContact OG1-CG 3.48Å; T111-Q114 PolarHBondContact OG1-N 3.29Å; T111-Q114 PolarHBondContact OG1-OE1 2.82Å; T111-M115 WeakPolarHBondContact O-CG 3.31Å; T111-M115 PolarHBondContact O-N 2.9Å; T111-T156 HydrophobicContact CG2-CG2 3.57Å
112F95.7Very high94Very high14 Ų1462.7 Ų62.76%0.06132%0.317CS..Hα-helixtrans-46.9-49.8170.4168.8-125.5000113.1E95 Q114 M115 L116 K138 F140 F151 T153E95-F112 PolarHBondContact OE1-N 2.79Å; F112-Q114 VanDerWaalsContact C-N 3.29Å; F112-Q114 PolarHBondContact O-N 2.88Å; F112-M115 PolarHBondContact O-N 3.33Å; F112-L116 HydrophobicContact CD2-CB 4.44Å; F112-L116 HydrophobicContact CE1-CD2 4.38Å; F112-L116 HydrophobicContact CE2-CB 4.11Å; F112-L116 HydrophobicContact CE2-CD2 4.09Å; F112-L116 HydrophobicContact CZ-CD2 3.73Å; F112-L116 VanDerWaalsContact O-CB 3.32Å; F112-L116 WeakPolarHBondContact O-CB 3.44Å; F112-L116 PolarHBondContact O-N 3.42Å; F112-K138 HydrophobicContact CE1-CD 4.05Å; F112-K138 HydrophobicContact CE2-CD 4.27Å; F112-K138 HydrophobicContact CZ-CD 3.81Å; F112-F140 HydrophobicContact CE2-CE2 4.41Å; F112-F140 HydrophobicContact CZ-CE2 4.5Å; F112-F140 HydrophobicContact CZ-CZ 4.49Å; F112-F151 HydrophobicContact CD2-CB 3.56Å; F112-F151 AromaticContact CD2-CD1 3.75Å; F112-F151 HydrophobicContact CD2-CD1 3.75Å; F112-F151 HydrophobicContact CD2-CD2 4.13Å; F112-F151 HydrophobicContact CD2-CE1 4.47Å; F112-F151 AromaticContact CD2-CG 3.54Å; F112-F151 HydrophobicContact CD2-CG 3.54Å; F112-F151 HydrophobicContact CE2-CB 3.71Å; F112-F151 HydrophobicContact CE2-CD1 4.09Å; F112-F151 AromaticContact CE2-CD2 3.62Å; F112-F151 HydrophobicContact CE2-CD2 3.62Å; F112-F151 HydrophobicContact CE2-CE2 4.21Å; F112-F151 AromaticContact CE2-CG 3.53Å; F112-F151 HydrophobicContact CE2-CG 3.53Å; F112-T153 HydrophobicContact CB-CG2 3.46Å; F112-T153 VanDerWaalsContact CB-CG2 3.46Å; F112-T153 HydrophobicContact CD1-CG2 4.01Å; F112-T153 HydrophobicContact CD2-CG2 3.63Å; F112-T153 HydrophobicContact CE2-CG2 4.38Å; F112-T153 HydrophobicContact CG-CG2 3.4Å; F112-T153 VanDerWaalsContact CG-CG2 3.4Å
113K96.6Very high94.8Very high140 Ų14062.9 Ų62.961%0.60932%0.316SS*.Hα-helixtrans-61.5-39.5-178.3-68.2-176.9179.8178.10111.5T111 N117 E157T111-K113 VanDerWaalsContact C-N 3.28Å; T111-K113 PolarHBondContact O-N 2.85Å; K113-N117 VanDerWaalsContact O-CB 3.23Å; K113-N117 WeakPolarHBondContact O-CB 3.36Å; K113-N117 PolarHBondContact O-N 3.16Å; K113-E157 WeakPolarHBondContact CE-OE1 3.46Å
114Q98Very high95.4Very high75 Ų7561 Ų6135%0.3532%0.318SS..Hα-helixtrans-66.8-46.8175.9-70.4168-60.900111.7F110 T111 F112 N117 I118F110-Q114 HydrophobicContact CD1-CB 4.19Å; F110-Q114 HydrophobicContact CE1-CB 3.7Å; F110-Q114 HydrophobicContact CE2-CB 4.13Å; F110-Q114 HydrophobicContact CZ-CB 3.67Å; T111-Q114 WeakPolarHBondContact O-CB 3.29Å; T111-Q114 PolarHBondContact O-N 3.48Å; T111-Q114 VanDerWaalsContact O-N 3.09Å; T111-Q114 VanDerWaalsContact OG1-CG 3.26Å; T111-Q114 WeakPolarHBondContact OG1-CG 3.48Å; T111-Q114 PolarHBondContact OG1-N 3.29Å; T111-Q114 PolarHBondContact OG1-OE1 2.82Å; F112-Q114 VanDerWaalsContact C-N 3.29Å; F112-Q114 PolarHBondContact O-N 2.88Å; Q114-N117 PolarHBondContact O-N 2.95Å; Q114-I118 WeakPolarHBondContact O-CG1 3.47Å; Q114-I118 PolarHBondContact O-N 2.96Å; Q114-I118 VanDerWaalsContact O-N 3.12Å
115M98.4Very high96.1Very high1 Ų162.9 Ų62.91%0.00533%0.33CS..Hα-helixtrans-59-49.4176.5-64.4-176.7-110.300111.5V68 L77 F93 E95 F110 T111 F112 N117 I118 I119 F151V68-M115 HydrophobicContact CB-CE 4.49Å; V68-M115 HydrophobicContact CB-SD 3.91Å; V68-M115 HydrophobicContact CG1-CG 4.38Å; V68-M115 HydrophobicContact CG1-SD 4.22Å; V68-M115 HydrophobicContact CG2-SD 3.73Å; L77-M115 HydrophobicContact CD1-CB 4.13Å; L77-M115 HydrophobicContact CD1-CG 4.06Å; L77-M115 HydrophobicContact CD2-CB 4.33Å; L77-M115 HydrophobicContact CD2-CG 4.08Å; L77-M115 HydrophobicContact CD2-SD 4.27Å; F93-M115 HydrophobicContact CB-SD 3.69Å; F93-M115 HydrophobicContact CG-SD 4.43Å; E95-M115 HydrophobicContact CG-CE 3.65Å; F110-M115 HydrophobicContact CD1-CG 3.52Å; F110-M115 HydrophobicContact CE1-CG 3.91Å; F110-M115 VanDerWaalsContact O-CE 3.29Å; F110-M115 WeakPolarHBondContact O-CE 3.38Å; T111-M115 WeakPolarHBondContact O-CG 3.31Å; T111-M115 PolarHBondContact O-N 2.9Å; F112-M115 PolarHBondContact O-N 3.33Å; M115-N117 VanDerWaalsContact C-N 3.32Å; M115-N117 PolarHBondContact O-N 3.04Å; M115-I118 PolarHBondContact O-N 3.48Å; M115-I119 VanDerWaalsContact O-CG1 3.32Å; M115-I119 WeakPolarHBondContact O-CG1 3.5Å; M115-I119 PolarHBondContact O-N 2.86Å; M115-F151 HydrophobicContact CB-CD1 4.25Å; M115-F151 HydrophobicContact CB-CE1 3.72Å; M115-F151 HydrophobicContact SD-CD1 4.19Å; M115-F151 HydrophobicContact SD-CE1 4.35Å
116L97.7Very high96.6Very high24 Ų2459.2 Ų59.213%0.12631%0.313CS..Hα-helixtrans-61.9-40.6-179.2-175.864.7000111.5F112 I119 K120 L126 F140 F151F112-L116 HydrophobicContact CD2-CB 4.44Å; F112-L116 HydrophobicContact CE1-CD2 4.38Å; F112-L116 HydrophobicContact CE2-CB 4.11Å; F112-L116 HydrophobicContact CE2-CD2 4.09Å; F112-L116 HydrophobicContact CZ-CD2 3.73Å; F112-L116 VanDerWaalsContact O-CB 3.32Å; F112-L116 WeakPolarHBondContact O-CB 3.44Å; F112-L116 PolarHBondContact O-N 3.42Å; L116-I119 PolarHBondContact O-N 3.16Å; L116-K120 HydrophobicContact CD1-CD 4.21Å; L116-K120 HydrophobicContact CD1-CG 4.09Å; L116-K120 HydrophobicContact CG-CD 4.03Å; L116-K120 HydrophobicContact CG-CG 4.25Å; L116-K120 VanDerWaalsContact O-CB 3.29Å; L116-K120 WeakPolarHBondContact O-CB 3.35Å; L116-K120 WeakPolarHBondContact O-CG 3.39Å; L116-K120 PolarHBondContact O-N 3.17Å; L116-L126 HydrophobicContact CD1-CD2 3.89Å; L116-F140 HydrophobicContact CD1-CD1 4.39Å; L116-F140 HydrophobicContact CD1-CE1 4.03Å; L116-F140 HydrophobicContact CD1-CE2 4.42Å; L116-F140 HydrophobicContact CD1-CZ 4.06Å; L116-F140 HydrophobicContact CD2-CZ 4.4Å; L116-F151 HydrophobicContact CD1-CE2 3.97Å; L116-F151 HydrophobicContact CD1-CZ 4.12Å
117N98.1Very high97Very high97 Ų9757.1 Ų57.152%0.51930%0.302SS..Hα-helixtrans-63-45.7178.4-171.261.2000111.8K113 Q114 M115 I119 N121K113-N117 VanDerWaalsContact O-CB 3.23Å; K113-N117 WeakPolarHBondContact O-CB 3.36Å; K113-N117 PolarHBondContact O-N 3.16Å; Q114-N117 PolarHBondContact O-N 2.95Å; M115-N117 VanDerWaalsContact C-N 3.32Å; M115-N117 PolarHBondContact O-N 3.04Å; N117-I119 PolarHBondContact O-N 2.83Å; N117-N121 WeakPolarHBondContact O-CB 3.47Å; N117-N121 PolarHBondContact O-N 3.39Å; N117-N121 PolarHBondContact O-ND2 3.3Å
118I98.4Very high97.1Very high61 Ų6155.9 Ų55.931%0.31329%0.293SS..Hα-helixtrans-59.3-49.8176.2-71.3175.2000110.5L77 F110 Q114 M115 N121 S122L77-I118 HydrophobicContact CD1-CB 4.35Å; L77-I118 HydrophobicContact CD1-CD1 4.12Å; L77-I118 HydrophobicContact CD1-CG2 4.28Å; F110-I118 HydrophobicContact CE1-CD1 3.95Å; F110-I118 HydrophobicContact CZ-CD1 3.62Å; Q114-I118 WeakPolarHBondContact O-CG1 3.47Å; Q114-I118 PolarHBondContact O-N 2.96Å; Q114-I118 VanDerWaalsContact O-N 3.12Å; M115-I118 PolarHBondContact O-N 3.48Å; I118-N121 PolarHBondContact O-N 3.08Å; I118-S122 PolarHBondContact O-N 3.27Å; I118-S122 PolarHBondContact O-OG 2.92Å
119I98.6Very high97.1Very high0 Ų056.6 Ų56.60%030%0.299CS..Hα-helixtrans-65.5-44.1-176.7-67.1170.2000110.8L77 V81 F93 M115 L116 N117 N121 S122 Y123 L126 I149 F151L77-I119 HydrophobicContact CB-CD1 4.47Å; L77-I119 HydrophobicContact CB-CG1 4.31Å; L77-I119 HydrophobicContact CD2-CD1 4.41Å; V81-I119 HydrophobicContact CG2-CD1 3.86Å; V81-I119 HydrophobicContact CG2-CG1 3.98Å; V81-I119 HydrophobicContact CG2-CG2 3.94Å; F93-I119 HydrophobicContact CD2-CD1 4.07Å; F93-I119 HydrophobicContact CE2-CD1 3.64Å; F93-I119 HydrophobicContact CZ-CD1 4.31Å; M115-I119 VanDerWaalsContact O-CG1 3.32Å; M115-I119 WeakPolarHBondContact O-CG1 3.5Å; M115-I119 PolarHBondContact O-N 2.86Å; L116-I119 PolarHBondContact O-N 3.16Å; N117-I119 PolarHBondContact O-N 2.83Å; I119-N121 VanDerWaalsContact C-N 3.31Å; I119-N121 PolarHBondContact O-N 3Å; I119-S122 PolarHBondContact O-N 2.96Å; I119-Y123 HydrophobicContact CG2-CD2 4.3Å; I119-Y123 PolarHBondContact O-N 2.92Å; I119-L126 HydrophobicContact CG2-CD1 4.29Å; I119-L126 HydrophobicContact CG2-CD2 3.75Å; I119-I149 HydrophobicContact CD1-CD1 4.13Å; I119-I149 HydrophobicContact CG2-CD1 3.85Å; I119-F151 HydrophobicContact CD1-CE1 3.94Å; I119-F151 HydrophobicContact CD1-CZ 3.69Å
120K97.8Very high96.6Very high96 Ų9656.7 Ų56.742%0.41730%0.3SS..Hα-helixtrans-63.8-35.1178-79.8-173.1172.6-174.10112.9L116 Y123 P124 L126L116-K120 HydrophobicContact CD1-CD 4.21Å; L116-K120 HydrophobicContact CD1-CG 4.09Å; L116-K120 HydrophobicContact CG-CD 4.03Å; L116-K120 HydrophobicContact CG-CG 4.25Å; L116-K120 VanDerWaalsContact O-CB 3.29Å; L116-K120 WeakPolarHBondContact O-CB 3.35Å; L116-K120 WeakPolarHBondContact O-CG 3.39Å; L116-K120 PolarHBondContact O-N 3.17Å; K120-Y123 CarbonylContact O-C 3.3Å; K120-Y123 VanDerWaalsContact O-C 3.3Å; K120-P124 WeakPolarHBondContact O-CA 3.27Å; K120-L126 HydrophobicContact CG-CD2 3.86Å
121N98.2Very high95.2Very high112 Ų11263.8 Ų63.860%0.59933%0.333SS*.Hα-helixtrans-66.4-38.9176.5-71.8-15.9000111.8N117 I118 I119N117-N121 WeakPolarHBondContact O-CB 3.47Å; N117-N121 PolarHBondContact O-N 3.39Å; N117-N121 PolarHBondContact O-ND2 3.3Å; I118-N121 PolarHBondContact O-N 3.08Å; I119-N121 VanDerWaalsContact C-N 3.31Å; I119-N121 PolarHBondContact O-N 3Å
122S98.3Very high93.5Very high67 Ų6769.8 Ų69.847%0.46936%0.364SS..Hα-helixtrans-78.3-32.3176.6-59.60000113.2C78 I118 I119C78-S122 PolarHBondContact SG-OG 3.5Å; I118-S122 PolarHBondContact O-N 3.27Å; I118-S122 PolarHBondContact O-OG 2.92Å; I119-S122 PolarHBondContact O-N 2.96Å
123Y98.2Very high92.2Very high32 Ų3271.8 Ų71.813%0.12538%0.38CS..  trans-13079.1-176.6-55-74.7000110.9C78 V81 E82 I119 K120 N125 L126 V142 W145C78-Y123 HydrophobicContact CB-CE2 3.98Å; C78-Y123 PolarHBondContact O-OH 3.12Å; V81-Y123 HydrophobicContact CB-CD2 4.36Å; V81-Y123 HydrophobicContact CB-CE2 3.84Å; V81-Y123 HydrophobicContact CG1-CD2 3.66Å; V81-Y123 HydrophobicContact CG1-CE2 3.48Å; V81-Y123 VanDerWaalsContact CG1-CE2 3.48Å; V81-Y123 HydrophobicContact CG1-CG 4.32Å; E82-Y123 PolarHBondContact OE2-OH 3.32Å; I119-Y123 HydrophobicContact CG2-CD2 4.3Å; I119-Y123 PolarHBondContact O-N 2.92Å; K120-Y123 CarbonylContact O-C 3.3Å; K120-Y123 VanDerWaalsContact O-C 3.3Å; Y123-N125 PolarHBondContact O-N 2.98Å; Y123-N125 VanDerWaalsContact O-N 3.12Å; Y123-L126 VanDerWaalsContact O-CB 3.24Å; Y123-L126 WeakPolarHBondContact O-CB 3.39Å; Y123-L126 PolarHBondContact O-N 3.36Å; Y123-V142 HydrophobicContact CD1-CG2 4.48Å; Y123-V142 HydrophobicContact CG-CG2 4.16Å; Y123-W145 AromaticContact CD1-CH2 3.82Å; Y123-W145 HydrophobicContact CD1-CH2 3.82Å; Y123-W145 HydrophobicContact CD1-CZ2 4Å; Y123-W145 AromaticContact CE1-CH2 3.29Å; Y123-W145 HydrophobicContact CE1-CH2 3.29Å; Y123-W145 AromaticContact CE1-CZ2 3.7Å; Y123-W145 HydrophobicContact CE1-CZ2 3.7Å; Y123-W145 HydrophobicContact CE1-CZ3 4.34Å; Y123-W145 AromaticContact CZ-CH2 3.75Å
124P97.4Very high90.8Very high113 Ų11373.3 Ų73.373%0.73439%0.387SS*.THydrogen-bonded Turntrans-62.7-21-176.8-25.435.7000114.5K120 L126K120-P124 WeakPolarHBondContact O-CA 3.27Å; P124-L126 PolarHBondContact O-N 3.15Å
125N97.2Very high90Very high71 Ų7172.9 Ų72.938%0.3839%0.387SS..THydrogen-bonded Turntrans-85.818.5175.764.7-33.9000113.6Y123 I127 V142 S143Y123-N125 PolarHBondContact O-N 2.98Å; Y123-N125 VanDerWaalsContact O-N 3.12Å; N125-I127 PolarHBondContact O-N 3.45Å; N125-V142 WeakPolarHBondContact ND2-CG1 3.28Å; N125-V142 WeakPolarHBondContact OD1-CG1 3.37Å; N125-S143 PolarHBondContact ND2-O 3.1Å; N125-S143 PolarHBondContact O-N 3.44Å
126L98.1Very high89.3Confident15 Ų1573.2 Ų73.28%0.07939%0.388CS..EExtended strand (participates in β ladder)trans-72.1118.9172-172.779.5000110.8L116 I119 K120 Y123 P124 F140 V142 I149L116-L126 HydrophobicContact CD1-CD2 3.89Å; I119-L126 HydrophobicContact CG2-CD1 4.29Å; I119-L126 HydrophobicContact CG2-CD2 3.75Å; K120-L126 HydrophobicContact CG-CD2 3.86Å; Y123-L126 VanDerWaalsContact O-CB 3.24Å; Y123-L126 WeakPolarHBondContact O-CB 3.39Å; Y123-L126 PolarHBondContact O-N 3.36Å; P124-L126 PolarHBondContact O-N 3.15Å; L126-F140 HydrophobicContact CD1-CB 3.84Å; L126-F140 HydrophobicContact CD2-CB 4.22Å; L126-F140 HydrophobicContact CD2-CD1 4Å; L126-F140 HydrophobicContact CD2-CG 4.3Å; L126-F140 HydrophobicContact CG-CB 3.96Å; L126-F140 HydrophobicContact CG-CD1 4.12Å; L126-F140 HydrophobicContact CG-CG 4.41Å; L126-V142 HydrophobicContact CD1-CG2 3.71Å; L126-I149 HydrophobicContact CD1-CD1 3.79Å; L126-I149 HydrophobicContact CD1-CG1 4.31Å; L126-I149 HydrophobicContact CD2-CD1 4.36Å
127I96.5Very high89Confident86 Ų8672.1 Ų72.144%0.44138%0.382SS..EExtended strand (participates in β ladder)trans-107.3144.1179.558167.6000111.5N125 L129 F140 Q141N125-I127 PolarHBondContact O-N 3.45Å; I127-L129 HydrophobicContact CD1-CD2 3.96Å; I127-L129 HydrophobicContact CG1-CD2 4.21Å; I127-F140 CarbonylContact O-C 3.57Å; I127-F140 WeakPolarHBondContact O-CA 3.4Å; I127-F140 WeakPolarHBondContact O-CB 3.22Å; I127-F140 WeakPolarHBondContact O-CD1 3.44Å; I127-Q141 HydrophobicContact CG1-CB 4.44Å; I127-Q141 WeakPolarHBondContact CG1-O 3.46Å; I127-Q141 PolarHBondContact N-O 2.87Å; I127-Q141 PolarHBondContact O-N 2.82Å
128C95.2Very high88.7Confident44 Ų4470.1 Ų70.130%0.29737%0.369SS..EExtended strand (participates in β ladder)trans-80.1134.8170.4-168.90000109.4E131 F140C128-E131 HydrophobicContact CB-CG 3.99Å; C128-E131 VanDerWaalsContact SG-CG 3.53Å; C128-F140 HydrophobicContact CB-CD1 3.96Å; C128-F140 HydrophobicContact CB-CE1 3.64Å; C128-F140 HydrophobicContact CB-CZ 4.25Å
129L93.1Very high88.6Confident71 Ų7168.4 Ų68.437%0.37236%0.36SS..SBendtrans-101.3-16.9-177.2-62.7-177.4000113.7I127 H139 Q141 K148I127-L129 HydrophobicContact CD1-CD2 3.96Å; I127-L129 HydrophobicContact CG1-CD2 4.21Å; L129-H139 HydrophobicContact CB-CB 4Å; L129-H139 HydrophobicContact CD1-CB 4.39Å; L129-H139 PolarHBondContact N-O 3.06Å; L129-Q141 HydrophobicContact CD1-CB 3.89Å; L129-Q141 HydrophobicContact CD2-CB 4.23Å; L129-Q141 HydrophobicContact CG-CB 4.19Å; L129-K148 HydrophobicContact CD1-CD 3.69Å; L129-K148 HydrophobicContact CD1-CG 4.16Å
130N83.6Confident88.6Confident26 Ų2669 Ų6914%0.13936%0.362CS..  trans-147.545.3-165.973.6-34.4000114.3N132 S133 A137 H139N130-N132 PolarHBondContact O-N 3Å; N130-S133 PolarHBondContact ND2-OG 3.18Å; N130-S133 PolarHBondContact O-N 3.4Å; N130-A137 PolarHBondContact ND2-O 3.33Å; N130-H139 HydrophobicContact CB-CB 4.44Å; N130-H139 PolarHBondContact ND2-CD2 3.16Å; N130-H139 WeakPolarHBondContact OD1-CA 3.45Å; N130-H139 WeakPolarHBondContact OD1-CB 3.47Å; N130-H139 PolarHBondContact OD1-N 3.29Å; N130-H139 PolarHBondContact OD1-O 3.21Å
131E67Low88.6Confident163 Ų16366.4 Ų66.476%0.76235%0.352SS*.THydrogen-bonded Turntrans-48-25.1-176.8-68.6-173.8165.900114.7C128C128-E131 HydrophobicContact CB-CG 3.99Å; C128-E131 VanDerWaalsContact SG-CG 3.53Å
132N61.4Low88.6Confident158 Ų15861.1 Ų61.185%0.84532%0.324SS*.THydrogen-bonded Turntrans-123.621.8-177.6-60.8-47.2000115.1N130N130-N132 PolarHBondContact O-N 3Å
133S68.3Low88.5Confident56 Ų5661.3 Ų61.339%0.39233%0.325SS..  trans-91.5142.8178.891.30000113N130 D135N130-S133 PolarHBondContact ND2-OG 3.18Å; N130-S133 PolarHBondContact O-N 3.4Å; S133-D135 PolarHBondContact O-N 3.46Å; S133-D135 WeakPolarHBondContact OG-CB 3.49Å; S133-D135 PolarHBondContact OG-N 3.16Å
134F68.1Low88.5Confident172 Ų17263.5 Ų63.575%0.75436%0.357SS*.  trans-72.620.6168.7-57.5-76.4000113.3
135D79.6Confident88.5Confident66 Ų6659.1 Ų59.135%0.35333%0.326SS..  trans-75.4146175.5-161.4-19.5000107.9S133 A137 H139S133-D135 PolarHBondContact O-N 3.46Å; S133-D135 WeakPolarHBondContact OG-CB 3.49Å; S133-D135 PolarHBondContact OG-N 3.16Å; D135-A137 PolarHBondContact O-N 2.98Å; D135-A137 PolarHBondContact OD1-N 2.81Å; D135-H139 IonicContact OD2-CD2 3.39Å; D135-H139 IonicContact OD2-CE1 3Å; D135-H139 PolarHBondContact OD2-CE1 3.46Å; D135-H139 IonicContact OD2-NE2 2.79Å; D135-H139 PolarHBondContact OD2-NE2 3.29Å
136I85.2Confident88.5Confident8 Ų861.2 Ų61.24%0.04134%0.336CS..SBendtrans-70.7-27.9178.7-70.3172.1000110.8I152 F159 C163 R165I136-I152 HydrophobicContact CG2-CG1 4.37Å; I136-I152 HydrophobicContact CG2-CG2 4.09Å; I136-F159 HydrophobicContact CB-CD2 3.95Å; I136-F159 HydrophobicContact CB-CE2 4.21Å; I136-F159 HydrophobicContact CB-CG 4.15Å; I136-F159 HydrophobicContact CD1-CD2 4.2Å; I136-F159 HydrophobicContact CD1-CE2 4.25Å; I136-F159 HydrophobicContact CG1-CD2 3.59Å; I136-F159 HydrophobicContact CG1-CE2 4.03Å; I136-F159 HydrophobicContact CG1-CG 4.14Å; I136-F159 HydrophobicContact CG2-CD1 3.84Å; I136-F159 HydrophobicContact CG2-CD2 3.56Å; I136-F159 HydrophobicContact CG2-CE1 3.67Å; I136-F159 HydrophobicContact CG2-CE2 3.37Å; I136-F159 HydrophobicContact CG2-CG 3.8Å; I136-F159 HydrophobicContact CG2-CZ 3.43Å; I136-F159 VanDerWaalsContact CG2-CZ 3.43Å; I136-F159 WeakPolarHBondContact O-CD1 3.29Å; I136-C163 HydrophobicContact CD1-CB 3.89Å; I136-C163 WeakPolarHBondContact CD1-SG 3.3Å; I136-C163 HydrophobicContact CG1-CB 4.22Å; I136-R165 HydrophobicContact CD1-CB 4.39Å; I136-R165 HydrophobicContact CD1-CG 3.6Å
137A90.2Very high88.5Confident0 Ų060.6 Ų60.60%033%0.334CS..EExtended strand (participates in β ladder)trans-96.3132.717200000110.8N130 D135 F151 I152N130-A137 PolarHBondContact ND2-O 3.33Å; D135-A137 PolarHBondContact O-N 2.98Å; D135-A137 PolarHBondContact OD1-N 2.81Å; A137-F151 VanDerWaalsContact CA-O 3.31Å; A137-F151 WeakPolarHBondContact CA-O 3.42Å; A137-I152 HydrophobicContact CB-CG1 4.14Å
138K93.3Very high88.6Confident56 Ų5660.7 Ų60.724%0.24333%0.331CS..EExtended strand (participates in β ladder)trans-82.2113.3165-63.8167.8-179.2147.10107.9F112 F140 G150 F151 T153 E157F112-K138 HydrophobicContact CE1-CD 4.05Å; F112-K138 HydrophobicContact CE2-CD 4.27Å; F112-K138 HydrophobicContact CZ-CD 3.81Å; K138-F140 HydrophobicContact CB-CE2 3.91Å; K138-F140 WeakPolarHBondContact O-CD2 3.44Å; K138-G150 CarbonylContact O-C 3.55Å; K138-G150 VanDerWaalsContact O-CA 3.26Å; K138-G150 WeakPolarHBondContact O-CA 3.45Å; K138-F151 HydrophobicContact CB-CB 4.46Å; K138-F151 PolarHBondContact N-O 2.97Å; K138-F151 PolarHBondContact O-N 3.4Å; K138-T153 HydrophobicContact CD-CG2 4.16Å; K138-T153 PolarHBondContact NZ-OG1 2.98Å; K138-E157 IonicContact NZ-OE2 3.95Å; K138-E157 PolarHBondContact NZ-OE2 3.3Å
139H95.5Very high88.8Confident24 Ų2458.8 Ų58.811%0.11132%0.318CS..EExtended strand (participates in β ladder)trans-91.1132.8-171.2-63.1-55.9000111.5E90 L129 N130 D135 I149E90-H139 IonicContact OE1-CE1 2.84Å; E90-H139 PolarHBondContact OE1-CE1 3.24Å; E90-H139 IonicContact OE1-ND1 3.86Å; E90-H139 PolarHBondContact OE1-ND1 3.49Å; L129-H139 HydrophobicContact CB-CB 4Å; L129-H139 HydrophobicContact CD1-CB 4.39Å; L129-H139 PolarHBondContact N-O 3.06Å; N130-H139 HydrophobicContact CB-CB 4.44Å; N130-H139 PolarHBondContact ND2-CD2 3.16Å; N130-H139 WeakPolarHBondContact OD1-CA 3.45Å; N130-H139 WeakPolarHBondContact OD1-CB 3.47Å; N130-H139 PolarHBondContact OD1-N 3.29Å; N130-H139 PolarHBondContact OD1-O 3.21Å; D135-H139 IonicContact OD2-CD2 3.39Å; D135-H139 IonicContact OD2-CE1 3Å; D135-H139 PolarHBondContact OD2-CE1 3.46Å; D135-H139 IonicContact OD2-NE2 2.79Å; D135-H139 PolarHBondContact OD2-NE2 3.29Å; H139-I149 WeakPolarHBondContact CA-O 3.42Å
140F97.6Very high88.9Confident13 Ų1355.4 Ų55.46%0.05730%0.3CS..EExtended strand (participates in β ladder)trans-133.3161173.7-63.3-103.1000110.1F112 L116 L126 I127 C128 K138 I149 F151F112-F140 HydrophobicContact CE2-CE2 4.41Å; F112-F140 HydrophobicContact CZ-CE2 4.5Å; F112-F140 HydrophobicContact CZ-CZ 4.49Å; L116-F140 HydrophobicContact CD1-CD1 4.39Å; L116-F140 HydrophobicContact CD1-CE1 4.03Å; L116-F140 HydrophobicContact CD1-CE2 4.42Å; L116-F140 HydrophobicContact CD1-CZ 4.06Å; L116-F140 HydrophobicContact CD2-CZ 4.4Å; L126-F140 HydrophobicContact CD1-CB 3.84Å; L126-F140 HydrophobicContact CD2-CB 4.22Å; L126-F140 HydrophobicContact CD2-CD1 4Å; L126-F140 HydrophobicContact CD2-CG 4.3Å; L126-F140 HydrophobicContact CG-CB 3.96Å; L126-F140 HydrophobicContact CG-CD1 4.12Å; L126-F140 HydrophobicContact CG-CG 4.41Å; I127-F140 CarbonylContact O-C 3.57Å; I127-F140 WeakPolarHBondContact O-CA 3.4Å; I127-F140 WeakPolarHBondContact O-CB 3.22Å; I127-F140 WeakPolarHBondContact O-CD1 3.44Å; C128-F140 HydrophobicContact CB-CD1 3.96Å; C128-F140 HydrophobicContact CB-CE1 3.64Å; C128-F140 HydrophobicContact CB-CZ 4.25Å; K138-F140 HydrophobicContact CB-CE2 3.91Å; K138-F140 WeakPolarHBondContact O-CD2 3.44Å; F140-I149 HydrophobicContact CB-CD1 4.23Å; F140-I149 HydrophobicContact CB-CG1 3.75Å; F140-I149 PolarHBondContact N-O 2.97Å; F140-I149 PolarHBondContact O-N 3.12Å; F140-I149 VanDerWaalsContact O-O 3.07Å; F140-F151 AromaticContact CD2-CD2 3.59Å; F140-F151 HydrophobicContact CD2-CD2 3.59Å; F140-F151 AromaticContact CD2-CE2 3.54Å; F140-F151 HydrophobicContact CD2-CE2 3.54Å; F140-F151 AromaticContact CE2-CD2 3.67Å; F140-F151 HydrophobicContact CE2-CD2 3.67Å; F140-F151 AromaticContact CE2-CE2 3.86Å; F140-F151 HydrophobicContact CE2-CE2 3.86Å; F140-F151 HydrophobicContact CG-CE2 4.24Å
141Q98.1Very high89.5Confident41 Ų4154.2 Ų54.219%0.19229%0.294CS..EExtended strand (participates in β ladder)trans-146138.5174.7-179.1166.45.900109.2I127 L129 W145 G147 K148I127-Q141 HydrophobicContact CG1-CB 4.44Å; I127-Q141 WeakPolarHBondContact CG1-O 3.46Å; I127-Q141 PolarHBondContact N-O 2.87Å; I127-Q141 PolarHBondContact O-N 2.82Å; L129-Q141 HydrophobicContact CD1-CB 3.89Å; L129-Q141 HydrophobicContact CD2-CB 4.23Å; L129-Q141 HydrophobicContact CG-CB 4.19Å; Q141-W145 PolarHBondContact NE2-O 3.36Å; Q141-G147 WeakPolarHBondContact CG-O 3.44Å; Q141-K148 HydrophobicContact CB-CG 4.32Å; Q141-K148 HydrophobicContact CG-CG 4.39Å
142V98.4Very high90.8Very high2 Ų246.8 Ų46.81%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-75.4125.4167.9179.60000107.1V81 Y123 N125 L126 G144 W145V81-V142 HydrophobicContact CG1-CG2 3.94Å; Y123-V142 HydrophobicContact CD1-CG2 4.48Å; Y123-V142 HydrophobicContact CG-CG2 4.16Å; N125-V142 WeakPolarHBondContact ND2-CG1 3.28Å; N125-V142 WeakPolarHBondContact OD1-CG1 3.37Å; L126-V142 HydrophobicContact CD1-CG2 3.71Å; V142-G144 PolarHBondContact O-N 2.75Å; V142-W145 HydrophobicContact CB-CB 4.33Å; V142-W145 HydrophobicContact CB-CD2 3.55Å; V142-W145 HydrophobicContact CB-CE3 3.69Å; V142-W145 HydrophobicContact CB-CG 3.83Å; V142-W145 HydrophobicContact CB-CZ2 4.48Å; V142-W145 HydrophobicContact CB-CZ3 4.22Å; V142-W145 HydrophobicContact CG1-CD2 3.65Å; V142-W145 VanDerWaalsContact CG1-CE2 3.49Å; V142-W145 HydrophobicContact CG1-CE3 4.16Å; V142-W145 HydrophobicContact CG1-CG 3.95Å; V142-W145 HydrophobicContact CG1-CH2 4.44Å; V142-W145 HydrophobicContact CG1-CZ2 3.94Å; V142-W145 HydrophobicContact CG2-CD2 4.25Å; V142-W145 HydrophobicContact CG2-CE3 3.91Å; V142-W145 HydrophobicContact CG2-CH2 4.43Å; V142-W145 HydrophobicContact CG2-CZ3 4Å; V142-W145 WeakPolarHBondContact O-CB 3.43Å; V142-W145 PolarHBondContact O-N 2.95Å; V142-W145 VanDerWaalsContact O-N 3.1Å
143S97.5Very high92.2Very high70 Ų7039.3 Ų39.349%0.4922%0.219SC..THydrogen-bonded Turntrans-55.6130.5-175.4-173.30000111.8N125N125-S143 PolarHBondContact ND2-O 3.1Å; N125-S143 PolarHBondContact O-N 3.44Å
144G97.1Very high93Very high78 Ų7836.9 Ų36.980%0.80420%0.202SC*.THydrogen-bonded Turntrans84.8-0.8-178.700000115.9V142V142-G144 PolarHBondContact O-N 2.75Å
145W98.3Very high93.9Very high21 Ų2130.3 Ų30.38%0.0817%0.174CC..  trans-93.3154.3-179.4-69.720.4000112.3V81 E82 R85 Y123 Q141 V142V81-W145 HydrophobicContact CG1-CH2 4.21Å; V81-W145 HydrophobicContact CG1-CZ3 3.62Å; V81-W145 VanDerWaalsContact O-CZ3 3.23Å; V81-W145 WeakPolarHBondContact O-CZ3 3.45Å; E82-W145 VanDerWaalsContact OE2-CH2 3.22Å; E82-W145 WeakPolarHBondContact OE2-CH2 3.33Å; R85-W145 HydrophobicContact CB-CD2 3.62Å; R85-W145 HydrophobicContact CB-CE3 3.67Å; R85-W145 HydrophobicContact CB-CG 4.17Å; R85-W145 HydrophobicContact CB-CH2 4.14Å; R85-W145 HydrophobicContact CB-CZ2 4.13Å; R85-W145 HydrophobicContact CB-CZ3 3.93Å; R85-W145 HydrophobicContact CG-CD2 3.74Å; R85-W145 HydrophobicContact CG-CE3 4.3Å; R85-W145 HydrophobicContact CG-CG 4.01Å; R85-W145 HydrophobicContact CG-CZ2 4.02Å; Y123-W145 AromaticContact CD1-CH2 3.82Å; Y123-W145 HydrophobicContact CD1-CH2 3.82Å; Y123-W145 HydrophobicContact CD1-CZ2 4Å; Y123-W145 AromaticContact CE1-CH2 3.29Å; Y123-W145 HydrophobicContact CE1-CH2 3.29Å; Y123-W145 AromaticContact CE1-CZ2 3.7Å; Y123-W145 HydrophobicContact CE1-CZ2 3.7Å; Y123-W145 HydrophobicContact CE1-CZ3 4.34Å; Y123-W145 AromaticContact CZ-CH2 3.75Å; Q141-W145 PolarHBondContact NE2-O 3.36Å; V142-W145 HydrophobicContact CB-CB 4.33Å; V142-W145 HydrophobicContact CB-CD2 3.55Å; V142-W145 HydrophobicContact CB-CE3 3.69Å; V142-W145 HydrophobicContact CB-CG 3.83Å; V142-W145 HydrophobicContact CB-CZ2 4.48Å; V142-W145 HydrophobicContact CB-CZ3 4.22Å; V142-W145 HydrophobicContact CG1-CD2 3.65Å; V142-W145 VanDerWaalsContact CG1-CE2 3.49Å; V142-W145 HydrophobicContact CG1-CE3 4.16Å; V142-W145 HydrophobicContact CG1-CG 3.95Å; V142-W145 HydrophobicContact CG1-CH2 4.44Å; V142-W145 HydrophobicContact CG1-CZ2 3.94Å; V142-W145 HydrophobicContact CG2-CD2 4.25Å; V142-W145 HydrophobicContact CG2-CE3 3.91Å; V142-W145 HydrophobicContact CG2-CH2 4.43Å; V142-W145 HydrophobicContact CG2-CZ3 4Å; V142-W145 WeakPolarHBondContact O-CB 3.43Å; V142-W145 PolarHBondContact O-N 2.95Å; V142-W145 VanDerWaalsContact O-N 3.1Å
146L97.6Very high94.3Very high115 Ų11530 Ų3060%0.60217%0.174SC*.SBendtrans-73.4-41.5-174.7-69.7176.5000113.6T84 R85 Y86T84-L146 PolarHBondContact O-N 3.15Å; R85-L146 PolarHBondContact O-N 3.36Å; Y86-L146 WeakPolarHBondContact O-CD1 3.01Å
147G98Very high94.4Very high2 Ų232.8 Ų32.82%0.02119%0.187CC..SBendtrans-95.6-174-176.900000113.3T84 L87 I89 Q141T84-G147 WeakPolarHBondContact O-CA 3.31Å; T84-G147 PolarHBondContact O-N 3.03Å; L87-G147 WeakPolarHBondContact O-CA 3.32Å; L87-G147 PolarHBondContact O-N 2.87Å; I89-G147 CarbonylContact O-C 3.57Å; I89-G147 WeakPolarHBondContact O-CA 3.47Å; Q141-G147 WeakPolarHBondContact CG-O 3.44Å
148K97.9Very high94Very high89 Ų8936.1 Ų36.139%0.38721%0.205SC..EExtended strand (participates in β ladder)trans-136.9163-176.3-62.1177.9-179.2-178.70110.2T84 I89 E90 V91 L129 Q141T84-K148 WeakPolarHBondContact CG2-O 3.32Å; I89-K148 PolarHBondContact O-N 3.24Å; E90-K148 CarbonylContact C-O 3.53Å; E90-K148 VanDerWaalsContact CA-O 3.24Å; E90-K148 WeakPolarHBondContact CA-O 3.36Å; E90-K148 HydrophobicContact CB-CB 4.48Å; E90-K148 HydrophobicContact CG-CB 4.18Å; V91-K148 PolarHBondContact N-O 3.18Å; L129-K148 HydrophobicContact CD1-CD 3.69Å; L129-K148 HydrophobicContact CD1-CG 4.16Å; Q141-K148 HydrophobicContact CB-CG 4.32Å; Q141-K148 HydrophobicContact CG-CG 4.39Å
149I98.2Very high93.6Very high3 Ų335.4 Ų35.42%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-119.3152166.168.3176.3000110.4V81 T84 V91 F93 I119 L126 H139 F140 F151V81-I149 HydrophobicContact CG2-CD1 4.23Å; V81-I149 HydrophobicContact CG2-CG2 4.09Å; T84-I149 HydrophobicContact CG2-CG2 4.04Å; V91-I149 HydrophobicContact CB-CG2 4.42Å; V91-I149 CarbonylContact O-C 3.54Å; V91-I149 WeakPolarHBondContact O-CA 3.25Å; F93-I149 HydrophobicContact CE2-CB 4.19Å; F93-I149 HydrophobicContact CE2-CD1 4.38Å; F93-I149 HydrophobicContact CE2-CG2 4.18Å; I119-I149 HydrophobicContact CD1-CD1 4.13Å; I119-I149 HydrophobicContact CG2-CD1 3.85Å; L126-I149 HydrophobicContact CD1-CD1 3.79Å; L126-I149 HydrophobicContact CD1-CG1 4.31Å; L126-I149 HydrophobicContact CD2-CD1 4.36Å; H139-I149 WeakPolarHBondContact CA-O 3.42Å; F140-I149 HydrophobicContact CB-CD1 4.23Å; F140-I149 HydrophobicContact CB-CG1 3.75Å; F140-I149 PolarHBondContact N-O 2.97Å; F140-I149 PolarHBondContact O-N 3.12Å; F140-I149 VanDerWaalsContact O-O 3.07Å; I149-F151 HydrophobicContact CD1-CE2 3.93Å; I149-F151 HydrophobicContact CD1-CZ 3.91Å; I149-F151 HydrophobicContact CG1-CE2 4.29Å
150G96.7Very high93.1Very high0 Ų035 Ų350%020%0.202CC..EExtended strand (participates in β ladder)trans-133.3145.6176.700000110.9V91 R92 F93 K138V91-G150 PolarHBondContact O-N 2.88Å; R92-G150 CarbonylContact C-O 3.53Å; R92-G150 VanDerWaalsContact CA-O 3.26Å; R92-G150 WeakPolarHBondContact CA-O 3.45Å; F93-G150 PolarHBondContact N-O 3.21Å; K138-G150 CarbonylContact O-C 3.55Å; K138-G150 VanDerWaalsContact O-CA 3.26Å; K138-G150 WeakPolarHBondContact O-CA 3.45Å
151F96.4Very high92.4Very high1 Ų138 Ų380%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-113120.4173-60.3-88.2000110.5F93 F112 M115 L116 I119 A137 K138 F140 I149 T153F93-F151 HydrophobicContact CB-CD1 4Å; F93-F151 HydrophobicContact CB-CE1 4.27Å; F93-F151 HydrophobicContact CD2-CD1 4.22Å; F93-F151 AromaticContact CD2-CE1 3.77Å; F93-F151 HydrophobicContact CD2-CE1 3.77Å; F93-F151 HydrophobicContact CD2-CZ 4.24Å; F93-F151 HydrophobicContact CG-CE1 4.4Å; F93-F151 CarbonylContact O-C 3.14Å; F93-F151 WeakPolarHBondContact O-CA 3.14Å; F112-F151 HydrophobicContact CD2-CB 3.56Å; F112-F151 AromaticContact CD2-CD1 3.75Å; F112-F151 HydrophobicContact CD2-CD1 3.75Å; F112-F151 HydrophobicContact CD2-CD2 4.13Å; F112-F151 HydrophobicContact CD2-CE1 4.47Å; F112-F151 AromaticContact CD2-CG 3.54Å; F112-F151 HydrophobicContact CD2-CG 3.54Å; F112-F151 HydrophobicContact CE2-CB 3.71Å; F112-F151 HydrophobicContact CE2-CD1 4.09Å; F112-F151 AromaticContact CE2-CD2 3.62Å; F112-F151 HydrophobicContact CE2-CD2 3.62Å; F112-F151 HydrophobicContact CE2-CE2 4.21Å; F112-F151 AromaticContact CE2-CG 3.53Å; F112-F151 HydrophobicContact CE2-CG 3.53Å; M115-F151 HydrophobicContact CB-CD1 4.25Å; M115-F151 HydrophobicContact CB-CE1 3.72Å; M115-F151 HydrophobicContact SD-CD1 4.19Å; M115-F151 HydrophobicContact SD-CE1 4.35Å; L116-F151 HydrophobicContact CD1-CE2 3.97Å; L116-F151 HydrophobicContact CD1-CZ 4.12Å; I119-F151 HydrophobicContact CD1-CE1 3.94Å; I119-F151 HydrophobicContact CD1-CZ 3.69Å; A137-F151 VanDerWaalsContact CA-O 3.31Å; A137-F151 WeakPolarHBondContact CA-O 3.42Å; K138-F151 HydrophobicContact CB-CB 4.46Å; K138-F151 PolarHBondContact N-O 2.97Å; K138-F151 PolarHBondContact O-N 3.4Å; F140-F151 AromaticContact CD2-CD2 3.59Å; F140-F151 HydrophobicContact CD2-CD2 3.59Å; F140-F151 AromaticContact CD2-CE2 3.54Å; F140-F151 HydrophobicContact CD2-CE2 3.54Å; F140-F151 AromaticContact CE2-CD2 3.67Å; F140-F151 HydrophobicContact CE2-CD2 3.67Å; F140-F151 AromaticContact CE2-CE2 3.86Å; F140-F151 HydrophobicContact CE2-CE2 3.86Å; F140-F151 HydrophobicContact CG-CE2 4.24Å; I149-F151 HydrophobicContact CD1-CE2 3.93Å; I149-F151 HydrophobicContact CD1-CZ 3.91Å; I149-F151 HydrophobicContact CG1-CE2 4.29Å; F151-T153 HydrophobicContact CB-CG2 3.88Å
152I94Very high91.6Very high8 Ų837.2 Ų37.24%0.04123%0.232CC..EExtended strand (participates in β ladder)trans-97.297.4171.3-62.5179.9000107.4R92 F93 I94 E95 I136 A137 S154 F159R92-I152 HydrophobicContact CB-CD1 4.37Å; F93-I152 PolarHBondContact O-N 3.33Å; I94-I152 HydrophobicContact CB-CB 4.39Å; I94-I152 HydrophobicContact CD1-CD1 4.12Å; I94-I152 HydrophobicContact CG1-CB 4.16Å; I94-I152 HydrophobicContact CG1-CD1 4.03Å; I94-I152 HydrophobicContact CG1-CG1 4.44Å; I94-I152 HydrophobicContact CG2-CB 4.18Å; I94-I152 HydrophobicContact CG2-CG2 4.09Å; E95-I152 PolarHBondContact N-O 2.93Å; E95-I152 VanDerWaalsContact N-O 3.1Å; I136-I152 HydrophobicContact CG2-CG1 4.37Å; I136-I152 HydrophobicContact CG2-CG2 4.09Å; A137-I152 HydrophobicContact CB-CG1 4.14Å; I152-S154 VanDerWaalsContact C-N 3.32Å; I152-S154 PolarHBondContact O-N 2.84Å; I152-F159 HydrophobicContact CG2-CE1 3.47Å; I152-F159 VanDerWaalsContact CG2-CE1 3.47Å; I152-F159 HydrophobicContact CG2-CZ 3.75Å
153T91.2Very high90.9Very high1 Ų137.8 Ų37.81%0.00624%0.236CC..  trans-94.355.2-168.159.70000111.7E95 F112 K138 F151 M155 E157 N158E95-T153 WeakPolarHBondContact OE2-CA 3.2Å; F112-T153 HydrophobicContact CB-CG2 3.46Å; F112-T153 VanDerWaalsContact CB-CG2 3.46Å; F112-T153 HydrophobicContact CD1-CG2 4.01Å; F112-T153 HydrophobicContact CD2-CG2 3.63Å; F112-T153 HydrophobicContact CE2-CG2 4.38Å; F112-T153 HydrophobicContact CG-CG2 3.4Å; F112-T153 VanDerWaalsContact CG-CG2 3.4Å; K138-T153 HydrophobicContact CD-CG2 4.16Å; K138-T153 PolarHBondContact NZ-OG1 2.98Å; F151-T153 HydrophobicContact CB-CG2 3.88Å; T153-M155 PolarHBondContact O-N 3.23Å; T153-M155 VanDerWaalsContact O-N 3.16Å; T153-E157 CarbonylContact O-C 3.59Å; T153-E157 PolarHBondContact O-N 3.26Å; T153-E157 PolarHBondContact OG1-O 3.17Å; T153-N158 WeakPolarHBondContact O-CA 3.16Å; T153-N158 PolarHBondContact O-N 2.84Å
154S84.6Confident90.3Very high4 Ų439.6 Ų39.63%0.02825%0.249CC..THydrogen-bonded Turntrans-63-20.5-168.938.80000115.1E95 I152 H239E95-S154 PolarHBondContact O-OG 2.85Å; E95-S154 PolarHBondContact OE2-N 3.1Å; I152-S154 VanDerWaalsContact C-N 3.32Å; I152-S154 PolarHBondContact O-N 2.84Å; S154-H239 PolarHBondContact O-NE2 2.65Å
155M87.6Confident89.7Confident34 Ų3440.3 Ų40.317%0.16723%0.227CC..THydrogen-bonded Turntrans-107.3-49.4-174.8-60.8-54.1-65.400112.4E95 Y96 M97 P98 W104 L109 T153 A242E95-M155 HydrophobicContact CB-CG 4.42Å; E95-M155 WeakPolarHBondContact OE2-CA 3.3Å; E95-M155 WeakPolarHBondContact OE2-CB 3.36Å; E95-M155 PolarHBondContact OE2-N 3.22Å; Y96-M155 WeakPolarHBondContact O-CG 3.23Å; M97-M155 HydrophobicContact CB-CG 4.25Å; M97-M155 HydrophobicContact CB-SD 3.84Å; P98-M155 VanDerWaalsContact CD-SD 3.52Å; P98-M155 HydrophobicContact CG-CE 4.19Å; P98-M155 HydrophobicContact CG-SD 4.42Å; W104-M155 HydrophobicContact CH2-CE 4.15Å; W104-M155 HydrophobicContact CH2-CG 4.32Å; W104-M155 HydrophobicContact CZ2-CE 3.94Å; L109-M155 HydrophobicContact CD1-CB 4.19Å; L109-M155 HydrophobicContact CD1-CG 4.2Å; L109-M155 HydrophobicContact CD2-CB 4.28Å; T153-M155 PolarHBondContact O-N 3.23Å; T153-M155 VanDerWaalsContact O-N 3.16Å; M155-A242 HydrophobicContact CE-CB 3.64Å
156T87.3Confident89.1Confident59 Ų5943 Ų4336%0.36224%0.243SC..THydrogen-bonded Turntrans-89.7-33.9-169.459.40000114.2E95 L109 T111E95-T156 WeakPolarHBondContact OE1-CB 3.3Å; E95-T156 VanDerWaalsContact OE1-CG2 3.31Å; E95-T156 WeakPolarHBondContact OE1-CG2 3.21Å; E95-T156 PolarHBondContact OE1-OG1 2.73Å; E95-T156 PolarHBondContact OE2-N 3.44Å; E95-T156 PolarHBondContact OE2-OG1 3.33Å; L109-T156 HydrophobicContact CD2-CG2 4.36Å; T111-T156 HydrophobicContact CG2-CG2 3.57Å
157E86.4Confident88.6Confident67 Ų6739 Ų3931%0.31322%0.22SC..SBendtrans-137.967.8-179.4-68.9-178.9-162.100108.2K113 K138 T153K113-E157 WeakPolarHBondContact CE-OE1 3.46Å; K138-E157 IonicContact NZ-OE2 3.95Å; K138-E157 PolarHBondContact NZ-OE2 3.3Å; T153-E157 CarbonylContact O-C 3.59Å; T153-E157 PolarHBondContact O-N 3.26Å; T153-E157 PolarHBondContact OG1-O 3.17Å
158N82.4Confident88.1Confident71 Ų7144.5 Ų44.538%0.3825%0.248SC..  trans-62146.7-168.57678.4000112.9T153 H239T153-N158 WeakPolarHBondContact O-CA 3.16Å; T153-N158 PolarHBondContact O-N 2.84Å; N158-H239 WeakPolarHBondContact CB-NE2 3.06Å
159F84.5Confident87.6Confident40 Ų4040.9 Ų40.918%0.17523%0.233CC..  trans-106.416.4-177.350.6-100.9000112.4I136 I152 A161 G162 C163I136-F159 HydrophobicContact CB-CD2 3.95Å; I136-F159 HydrophobicContact CB-CE2 4.21Å; I136-F159 HydrophobicContact CB-CG 4.15Å; I136-F159 HydrophobicContact CD1-CD2 4.2Å; I136-F159 HydrophobicContact CD1-CE2 4.25Å; I136-F159 HydrophobicContact CG1-CD2 3.59Å; I136-F159 HydrophobicContact CG1-CE2 4.03Å; I136-F159 HydrophobicContact CG1-CG 4.14Å; I136-F159 HydrophobicContact CG2-CD1 3.84Å; I136-F159 HydrophobicContact CG2-CD2 3.56Å; I136-F159 HydrophobicContact CG2-CE1 3.67Å; I136-F159 HydrophobicContact CG2-CE2 3.37Å; I136-F159 HydrophobicContact CG2-CG 3.8Å; I136-F159 HydrophobicContact CG2-CZ 3.43Å; I136-F159 VanDerWaalsContact CG2-CZ 3.43Å; I136-F159 WeakPolarHBondContact O-CD1 3.29Å; I152-F159 HydrophobicContact CG2-CE1 3.47Å; I152-F159 VanDerWaalsContact CG2-CE1 3.47Å; I152-F159 HydrophobicContact CG2-CZ 3.75Å; F159-A161 VanDerWaalsContact C-N 3.33Å; F159-A161 PolarHBondContact O-N 3.09Å; F159-G162 PolarHBondContact O-N 2.87Å; F159-C163 HydrophobicContact CD2-CB 4.21Å; F159-C163 PolarHBondContact O-N 3.29Å
160C84.7Confident86.9Confident16 Ų1646.3 Ų46.311%0.10828%0.278CS..THydrogen-bonded Turntrans-58.2-44-170.9-79.70000112.4G162 C163 K235 A237C160-G162 VanDerWaalsContact C-N 3.33Å; C160-G162 PolarHBondContact O-N 3.38Å; C160-C163 PolarHBondContact O-N 3.35Å; C160-K235 WeakPolarHBondContact O-CE 3.16Å; C160-K235 PolarHBondContact O-NZ 3.28Å; C160-A237 CarbonylContact C-O 3.6Å; C160-A237 WeakPolarHBondContact CB-O 3.14Å
161A82.6Confident86.5Confident76 Ų7649.8 Ų49.863%0.62830%0.297SS*.THydrogen-bonded Turntrans-54.9-47.6177.400000111.7F159 K235 A237F159-A161 VanDerWaalsContact C-N 3.33Å; F159-A161 PolarHBondContact O-N 3.09Å; A161-K235 PolarHBondContact O-NZ 3.02Å; A161-K235 VanDerWaalsContact O-NZ 3.17Å; A161-A237 PolarHBondContact N-O 2.94Å
162G82Confident86.1Confident24 Ų2450.2 Ų50.225%0.24730%0.302CS..THydrogen-bonded Turntrans-81.3-11.7-179.500000116.2F159 C160 S164F159-G162 PolarHBondContact O-N 2.87Å; C160-G162 VanDerWaalsContact C-N 3.33Å; C160-G162 PolarHBondContact O-N 3.38Å; G162-S164 PolarHBondContact O-N 3.41Å; G162-S164 VanDerWaalsContact O-N 3.1Å
163C85Confident85.9Confident15 Ų1551.2 Ų51.210%0.10131%0.308CS..  trans-65.9109.4-172.5173.30000113.8I136 F159 C160 K235I136-C163 HydrophobicContact CD1-CB 3.89Å; I136-C163 WeakPolarHBondContact CD1-SG 3.3Å; I136-C163 HydrophobicContact CG1-CB 4.22Å; F159-C163 HydrophobicContact CD2-CB 4.21Å; F159-C163 PolarHBondContact O-N 3.29Å; C160-C163 PolarHBondContact O-N 3.35Å; C163-K235 WeakPolarHBondContact O-CE 3.11Å; C163-K235 PolarHBondContact O-NZ 3.49Å
164S83Confident85.8Confident107 Ų10751.8 Ų51.875%0.74831%0.31SS*.  trans-9510.2176.256.40000114.5G162 L166G162-S164 PolarHBondContact O-N 3.41Å; G162-S164 VanDerWaalsContact O-N 3.1Å; S164-L166 PolarHBondContact O-N 2.72Å
165R85.4Confident86Confident94 Ų9451.6 Ų51.636%0.35531%0.309SS..  trans-77.6114.7-175.2-68.9-173.7-60.4-168-10.1112.7I136 R167I136-R165 HydrophobicContact CD1-CB 4.39Å; I136-R165 HydrophobicContact CD1-CG 3.6Å; R165-R167 PolarHBondContact O-NH1 2.91Å
166L85.1Confident86Confident78 Ų7850.3 Ų50.341%0.40830%0.303SS..  trans-90151.5163-61.3176.8000111.2S164 L174 I176 V228 L232S164-L166 PolarHBondContact O-N 2.72Å; L166-L174 HydrophobicContact CB-CD1 4.12Å; L166-L174 HydrophobicContact CD1-CD1 4.49Å; L166-I176 HydrophobicContact CD2-CD1 3.43Å; L166-I176 VanDerWaalsContact CD2-CD1 3.43Å; L166-I176 HydrophobicContact CD2-CG2 4.42Å; L166-V228 HydrophobicContact CD1-CG1 4.28Å; L166-L232 HydrophobicContact CD1-CD2 4.49Å; L166-L232 HydrophobicContact CD2-CD2 3.51Å; L166-L232 HydrophobicContact CG-CD2 4.39Å
167R87.7Confident86Confident30 Ų3049.1 Ų49.111%0.11330%0.296CS..EExtended strand (participates in β ladder)trans-128.7131.6179.8-68.9163.3173.680.8-2.3109.5R165 L174 K175 M253R165-R167 PolarHBondContact O-NH1 2.91Å; R167-L174 CarbonylContact O-C 3.6Å; R167-L174 WeakPolarHBondContact O-CA 3.14Å; R167-K175 HydrophobicContact CB-CB 4.17Å; R167-K175 WeakPolarHBondContact CB-O 3.36Å; R167-K175 PolarHBondContact N-O 2.74Å; R167-K175 PolarHBondContact O-N 3.02Å; R167-M253 HydrophobicContact CB-CE 3.61Å; R167-M253 HydrophobicContact CB-SD 3.81Å; R167-M253 HydrophobicContact CG-CE 3.47Å; R167-M253 VanDerWaalsContact CG-CE 3.47Å; R167-M253 HydrophobicContact CG-SD 4.23Å
168L86.4Confident85.9Confident117 Ų11747.6 Ų47.661%0.61329%0.29SS*.EExtended strand (participates in β ladder)trans-103.5122.1169.6-174.363.8000108.1N173 L186L168-N173 WeakPolarHBondContact CA-O 3.46Å; L168-L186 HydrophobicContact CD1-CD1 3.89Å
169T87.6Confident85.8Confident13 Ų1345.4 Ų45.48%0.0828%0.278CS..  trans-76.4161174.963.80000110.4D171 G172 N173 M253T169-D171 WeakPolarHBondContact CB-OD1 3.28Å; T169-D171 PolarHBondContact O-N 2.74Å; T169-D171 PolarHBondContact OG1-OD1 3.28Å; T169-G172 WeakPolarHBondContact O-CA 3.3Å; T169-G172 PolarHBondContact O-N 2.91Å; T169-N173 HydrophobicContact CG2-CB 4.42Å; T169-N173 PolarHBondContact N-O 3.32Å; T169-N173 WeakPolarHBondContact OG1-CA 3.11Å; T169-N173 WeakPolarHBondContact OG1-CB 3.24Å; T169-N173 PolarHBondContact OG1-N 3.42Å; T169-N173 PolarHBondContact OG1-O 3.05Å; T169-N173 VanDerWaalsContact OG1-O 3.13Å; T169-M253 HydrophobicContact CG2-SD 4.26Å
170A83.7Confident85.6Confident117 Ų11745.8 Ų45.897%0.96728%0.282SS*.THydrogen-bonded Turntrans-65.5-23.2-179.500000113.8G172A170-G172 VanDerWaalsContact C-N 3.28Å
171D88.1Confident85.4Confident73 Ų7349.2 Ų49.239%0.3930%0.299SS..THydrogen-bonded Turntrans-90.510.7172.354.86000113.1T169 N173 R251T169-D171 WeakPolarHBondContact CB-OD1 3.28Å; T169-D171 PolarHBondContact O-N 2.74Å; T169-D171 PolarHBondContact OG1-OD1 3.28Å; D171-N173 VanDerWaalsContact CG-ND2 3.27Å; D171-N173 PolarHBondContact OD1-ND2 3.15Å; D171-R251 VanDerWaalsContact CG-NH1 3.33Å; D171-R251 IonicContact OD1-CZ 3.23Å; D171-R251 IonicContact OD1-NH1 2.73Å; D171-R251 PolarHBondContact OD1-NH1 2.78Å; D171-R251 VanDerWaalsContact OD1-NH1 3.13Å; D171-R251 IonicContact OD1-NH2 2.82Å; D171-R251 IonicContact OD2-CZ 3.81Å; D171-R251 VanDerWaalsContact OD2-CZ 3.23Å; D171-R251 IonicContact OD2-NH1 3.47Å; D171-R251 PolarHBondContact OD2-NH1 3.2Å; D171-R251 IonicContact OD2-NH2 3.08Å; D171-R251 PolarHBondContact OD2-NH2 3.28Å
172G88.4Confident85.5Confident11 Ų1148.7 Ų48.711%0.11328%0.281CS..SBendtrans75.133.3169.500000114.9T169 A170 L186 V187T169-G172 WeakPolarHBondContact O-CA 3.3Å; T169-G172 PolarHBondContact O-N 2.91Å; A170-G172 VanDerWaalsContact C-N 3.28Å; G172-L186 PolarHBondContact O-N 3.06Å; G172-V187 PolarHBondContact O-N 2.95Å
173N89.8Confident85.8Confident29 Ų2949.9 Ų49.916%0.15528%0.28CS..EExtended strand (participates in β ladder)trans-97.1140.8167.4-57.6-69.3000110.7L168 T169 D171 E183 V184 S185L168-N173 WeakPolarHBondContact CA-O 3.46Å; T169-N173 HydrophobicContact CG2-CB 4.42Å; T169-N173 PolarHBondContact N-O 3.32Å; T169-N173 WeakPolarHBondContact OG1-CA 3.11Å; T169-N173 WeakPolarHBondContact OG1-CB 3.24Å; T169-N173 PolarHBondContact OG1-N 3.42Å; T169-N173 PolarHBondContact OG1-O 3.05Å; T169-N173 VanDerWaalsContact OG1-O 3.13Å; D171-N173 VanDerWaalsContact CG-ND2 3.27Å; D171-N173 PolarHBondContact OD1-ND2 3.15Å; N173-E183 HydrophobicContact CB-CB 4.2Å; N173-V184 CarbonylContact C-O 3.51Å; N173-V184 WeakPolarHBondContact CA-O 3.5Å; N173-S185 WeakPolarHBondContact OD1-CA 3.37Å; N173-S185 WeakPolarHBondContact OD1-CB 3.34Å; N173-S185 PolarHBondContact OD1-OG 3.04Å
174L90.1Very high85.8Confident12 Ų1250.3 Ų50.36%0.06328%0.282CS..EExtended strand (participates in β ladder)trans-85.7121.6171.3-175.968.9000109.5L166 R167 I176 E183 V184 L186 V228 A231L166-L174 HydrophobicContact CB-CD1 4.12Å; L166-L174 HydrophobicContact CD1-CD1 4.49Å; R167-L174 CarbonylContact O-C 3.6Å; R167-L174 WeakPolarHBondContact O-CA 3.14Å; L174-I176 HydrophobicContact CD2-CD1 3.82Å; L174-I176 HydrophobicContact CG-CD1 3.92Å; L174-E183 CarbonylContact O-C 3.52Å; L174-E183 VanDerWaalsContact O-CA 3.27Å; L174-E183 WeakPolarHBondContact O-CA 3.27Å; L174-V184 PolarHBondContact N-O 3.21Å; L174-V184 PolarHBondContact O-N 3.25Å; L174-L186 HydrophobicContact CB-CD1 4.14Å; L174-L186 HydrophobicContact CB-CD2 4.15Å; L174-L186 HydrophobicContact CB-CG 4.04Å; L174-V228 HydrophobicContact CD2-CB 4.37Å; L174-V228 HydrophobicContact CD2-CG1 4.46Å; L174-V228 HydrophobicContact CD2-CG2 3.78Å; L174-A231 HydrophobicContact CD2-CB 4.44Å
175K89Confident86.1Confident0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-113.2118.7175.5-169-177.6-171.277.10109.7R167 C177 D180 E183 N250 M253R167-K175 HydrophobicContact CB-CB 4.17Å; R167-K175 WeakPolarHBondContact CB-O 3.36Å; R167-K175 PolarHBondContact N-O 2.74Å; R167-K175 PolarHBondContact O-N 3.02Å; K175-C177 WeakPolarHBondContact CE-O 3.47Å; K175-C177 WeakPolarHBondContact CG-O 3.39Å; K175-D180 VanDerWaalsContact CE-O 3.25Å; K175-D180 WeakPolarHBondContact CE-O 3.26Å; K175-D180 PolarHBondContact NZ-O 3.45Å; K175-E183 HydrophobicContact CB-CG 3.92Å; K175-E183 HydrophobicContact CD-CG 4.39Å; K175-E183 WeakPolarHBondContact CD-OE1 3.44Å; K175-E183 HydrophobicContact CG-CG 3.88Å; K175-E183 IonicContact NZ-OE1 2.7Å; K175-E183 PolarHBondContact NZ-OE1 3.44Å; K175-N250 PolarHBondContact NZ-OD1 3.22Å; K175-M253 HydrophobicContact CD-CG 4.34Å; K175-M253 HydrophobicContact CD-SD 4.23Å
176I87.9Confident86.2Confident8 Ų843.5 Ų43.54%0.04125%0.247CC..SBendtrans-81.9-37-172.7-54-60.4000112L166 L174 A231 L232 K235L166-I176 HydrophobicContact CD2-CD1 3.43Å; L166-I176 VanDerWaalsContact CD2-CD1 3.43Å; L166-I176 HydrophobicContact CD2-CG2 4.42Å; L174-I176 HydrophobicContact CD2-CD1 3.82Å; L174-I176 HydrophobicContact CG-CD1 3.92Å; I176-A231 HydrophobicContact CD1-CB 3.62Å; I176-A231 HydrophobicContact CG1-CB 3.75Å; I176-L232 HydrophobicContact CD1-CD2 4.31Å; I176-L232 HydrophobicContact CG2-CD2 4.32Å; I176-K235 HydrophobicContact CG2-CB 3.83Å; I176-K235 HydrophobicContact CG2-CG 4.19Å
177C86.6Confident86.2Confident33 Ų3341.6 Ų41.622%0.22324%0.238CC..  trans-129.1141.9179.4-176.80000110.3K175 H179 D180K175-C177 WeakPolarHBondContact CE-O 3.47Å; K175-C177 WeakPolarHBondContact CG-O 3.39Å; C177-H179 PolarHBondContact O-N 3.07Å; C177-H179 PolarHBondContact SG-N 3.22Å; C177-H179 VanDerWaalsContact SG-N 3.45Å; C177-D180 HydrophobicContact CB-CB 3.79Å; C177-D180 PolarHBondContact O-N 2.98Å
178L84Confident86Confident35 Ų3547 Ų4718%0.18326%0.263CS..THydrogen-bonded Turntrans-63.2-32176.5-174.561.5000111.9F99 N250F99-L178 HydrophobicContact CE1-CD2 4.19Å; F99-L178 HydrophobicContact CE1-CG 4.15Å; F99-L178 HydrophobicContact CZ-CD2 3.81Å; F99-L178 HydrophobicContact CZ-CG 4.28Å; L178-N250 PolarHBondContact O-ND2 3.49Å
179H81.1Confident85.6Confident25 Ų2542.5 Ų42.512%0.11624%0.239CC..THydrogen-bonded Turntrans-98.25.9-175.7-67.3150.7000114.3F99 C177 L245 N250F99-H179 AromaticContact CE1-CD2 3.92Å; F99-H179 AromaticContact CE1-NE2 3.79Å; F99-H179 AromaticContact CZ-NE2 3.74Å; C177-H179 PolarHBondContact O-N 3.07Å; C177-H179 PolarHBondContact SG-N 3.22Å; C177-H179 VanDerWaalsContact SG-N 3.45Å; H179-L245 HydrophobicContact CB-CD2 3.55Å; H179-N250 WeakPolarHBondContact CA-ND2 3.47Å
180D79.3Confident85.4Confident49 Ų4944.7 Ų44.726%0.26225%0.249SC..  trans-113.5142.4177.6-159.5-12.3000110.4K175 C177 Y182K175-D180 VanDerWaalsContact CE-O 3.25Å; K175-D180 WeakPolarHBondContact CE-O 3.26Å; K175-D180 PolarHBondContact NZ-O 3.45Å; C177-D180 HydrophobicContact CB-CB 3.79Å; C177-D180 PolarHBondContact O-N 2.98Å; D180-Y182 VanDerWaalsContact C-N 3.27Å; D180-Y182 PolarHBondContact OD1-N 3.44Å
181N80.1Confident85.3Confident87 Ų8748.8 Ų48.847%0.46524%0.24SC..  trans-82.2-11.2176-70.6-22.5000112.3E183 V249 N250N181-E183 PolarHBondContact O-N 2.81Å; N181-E183 VanDerWaalsContact O-N 3.11Å; N181-V249 VanDerWaalsContact CG-O 3.29Å; N181-V249 PolarHBondContact ND2-O 3.34Å; N181-V249 PolarHBondContact OD1-O 3.28Å; N181-V249 VanDerWaalsContact OD1-O 3.1Å; N181-N250 WeakPolarHBondContact OD1-CA 3.46Å; N181-N250 VanDerWaalsContact OD1-CB 3.32Å; N181-N250 WeakPolarHBondContact OD1-CB 3.48Å; N181-N250 VanDerWaalsContact OD1-CG 3.28Å; N181-N250 PolarHBondContact OD1-OD1 3.06Å
182Y84.5Confident84.9Confident66 Ų6651.8 Ų51.826%0.25926%0.256SS..  trans-62.1115176.5-173.3-103.8000111.1D180 V184 A231 K234D180-Y182 VanDerWaalsContact C-N 3.27Å; D180-Y182 PolarHBondContact OD1-N 3.44Å; Y182-V184 HydrophobicContact CE1-CG2 3.56Å; Y182-V184 HydrophobicContact CE2-CG2 4.4Å; Y182-V184 VanDerWaalsContact CZ-CG2 3.48Å; Y182-V184 VanDerWaalsContact OH-CG2 3.26Å; Y182-V184 WeakPolarHBondContact OH-CG2 3.35Å; Y182-A231 HydrophobicContact CE1-CB 3.88Å; Y182-K234 HydrophobicContact CD1-CB 4.29Å; Y182-K234 HydrophobicContact CD1-CD 3.88Å; Y182-K234 HydrophobicContact CD2-CD 4.03Å; Y182-K234 HydrophobicContact CE1-CB 4.4Å; Y182-K234 HydrophobicContact CE1-CD 3.47Å; Y182-K234 VanDerWaalsContact CE1-CD 3.47Å; Y182-K234 HydrophobicContact CE1-CG 4.47Å; Y182-K234 HydrophobicContact CE2-CD 3.68Å; Y182-K234 HydrophobicContact CG-CD 4.13Å; Y182-K234 PolarHBondContact OH-NZ 3.24Å
183E88.1Confident84.2Confident48 Ų4855.9 Ų55.922%0.22427%0.271CS..EExtended strand (participates in β ladder)trans-133.4143.9178.8-70.5-179.3-166.500108.9N173 L174 K175 N181 R251N173-E183 HydrophobicContact CB-CB 4.2Å; L174-E183 CarbonylContact O-C 3.52Å; L174-E183 VanDerWaalsContact O-CA 3.27Å; L174-E183 WeakPolarHBondContact O-CA 3.27Å; K175-E183 HydrophobicContact CB-CG 3.92Å; K175-E183 HydrophobicContact CD-CG 4.39Å; K175-E183 WeakPolarHBondContact CD-OE1 3.44Å; K175-E183 HydrophobicContact CG-CG 3.88Å; K175-E183 IonicContact NZ-OE1 2.7Å; K175-E183 PolarHBondContact NZ-OE1 3.44Å; N181-E183 PolarHBondContact O-N 2.81Å; N181-E183 VanDerWaalsContact O-N 3.11Å; E183-R251 IonicContact OE2-NH1 3.13Å
184V86.7Confident83.4Confident25 Ų2556.1 Ų56.115%0.15227%0.271CS..EExtended strand (participates in β ladder)trans-120128.7175.5-170.70000110.3N173 L174 Y182 L186 I227 A231N173-V184 CarbonylContact C-O 3.51Å; N173-V184 WeakPolarHBondContact CA-O 3.5Å; L174-V184 PolarHBondContact N-O 3.21Å; L174-V184 PolarHBondContact O-N 3.25Å; Y182-V184 HydrophobicContact CE1-CG2 3.56Å; Y182-V184 HydrophobicContact CE2-CG2 4.4Å; Y182-V184 VanDerWaalsContact CZ-CG2 3.48Å; Y182-V184 VanDerWaalsContact OH-CG2 3.26Å; Y182-V184 WeakPolarHBondContact OH-CG2 3.35Å; V184-L186 PolarHBondContact O-N 3.13Å; V184-I227 HydrophobicContact CB-CG2 4.2Å; V184-I227 HydrophobicContact CG1-CG2 3.38Å; V184-A231 HydrophobicContact CG2-CB 3.94Å
185S88.3Confident82.7Confident29 Ų2959.3 Ų59.320%0.20329%0.288CS..EExtended strand (participates in β ladder)trans-77.8111.1-178.5-169.90000111.5N173 K188 I189N173-S185 WeakPolarHBondContact OD1-CA 3.37Å; N173-S185 WeakPolarHBondContact OD1-CB 3.34Å; N173-S185 PolarHBondContact OD1-OG 3.04Å; S185-K188 PolarHBondContact OG-N 2.77Å; S185-I189 VanDerWaalsContact O-CD1 3.31Å; S185-I189 WeakPolarHBondContact O-CD1 3.48Å
186L86.8Confident81.9Confident29 Ų2963.5 Ų63.515%0.15232%0.318CS..Hα-helixtrans-76.7-33.3173.2-56.6-174.5000111.1L168 G172 L174 V184 K188 I189 L190 L224 I227L168-L186 HydrophobicContact CD1-CD1 3.89Å; G172-L186 PolarHBondContact O-N 3.06Å; L174-L186 HydrophobicContact CB-CD1 4.14Å; L174-L186 HydrophobicContact CB-CD2 4.15Å; L174-L186 HydrophobicContact CB-CG 4.04Å; V184-L186 PolarHBondContact O-N 3.13Å; L186-K188 VanDerWaalsContact C-N 3.31Å; L186-K188 PolarHBondContact O-N 3.44Å; L186-I189 PolarHBondContact O-N 3.5Å; L186-L190 WeakPolarHBondContact O-CG 3.41Å; L186-L190 PolarHBondContact O-N 3.34Å; L186-L224 HydrophobicContact CD2-CD2 4.11Å; L186-I227 HydrophobicContact CD2-CG2 4.43Å
187V86.1Confident81.3Confident37 Ų3768.8 Ų68.822%0.22434%0.342CS..Hα-helixtrans-62.8-35.4-179171.30000112.4G172 I189 L190 R191G172-V187 PolarHBondContact O-N 2.95Å; V187-I189 VanDerWaalsContact C-N 3.34Å; V187-I189 PolarHBondContact O-N 2.87Å; V187-L190 PolarHBondContact O-N 3.21Å; V187-R191 HydrophobicContact CG1-CG 3.96Å; V187-R191 WeakPolarHBondContact O-CB 3.45Å; V187-R191 WeakPolarHBondContact O-CG 3.44Å; V187-R191 PolarHBondContact O-N 3.28Å
188K82.8Confident80.7Confident145 Ų14567.5 Ų67.563%0.6333%0.333SS*.Hα-helixtrans-61.1-43.8176.6-75.5-178.5-177-178.30111.6S185 L186 N192S185-K188 PolarHBondContact OG-N 2.77Å; L186-K188 VanDerWaalsContact C-N 3.31Å; L186-K188 PolarHBondContact O-N 3.44Å; K188-N192 VanDerWaalsContact O-CB 3.28Å; K188-N192 WeakPolarHBondContact O-CB 3.44Å; K188-N192 PolarHBondContact O-N 3.02Å; K188-N192 PolarHBondContact O-ND2 3.42Å; K188-N192 PolarHBondContact O-OD1 3.03Å
189I78.7Confident80.2Confident21 Ų2169.1 Ų69.111%0.10834%0.341CS..Hα-helixtrans-65.8-49.4178.5-60133.8000109.6S185 L186 V187 R191 N192 K193 L224 I227S185-I189 VanDerWaalsContact O-CD1 3.31Å; S185-I189 WeakPolarHBondContact O-CD1 3.48Å; L186-I189 PolarHBondContact O-N 3.5Å; V187-I189 VanDerWaalsContact C-N 3.34Å; V187-I189 PolarHBondContact O-N 2.87Å; I189-R191 PolarHBondContact O-N 3.41Å; I189-N192 PolarHBondContact O-N 2.73Å; I189-K193 PolarHBondContact O-N 3.42Å; I189-L224 HydrophobicContact CB-CD2 4.43Å; I189-L224 HydrophobicContact CD1-CD2 4.24Å; I189-L224 HydrophobicContact CG2-CD2 4.21Å; I189-I227 HydrophobicContact CD1-CD1 3.21Å; I189-I227 HydrophobicContact CD1-CG1 4.46Å; I189-I227 HydrophobicContact CD1-CG2 4.35Å; I189-I227 HydrophobicContact CG1-CD1 3.69Å
190L82.9Confident79.8Confident59 Ų5972.9 Ų72.931%0.30936%0.362SS..Hα-helixtrans-59.4-46.5179.7-68.4173.5000111.7L186 V187 N192 K193 M194 I220 L224L186-L190 WeakPolarHBondContact O-CG 3.41Å; L186-L190 PolarHBondContact O-N 3.34Å; V187-L190 PolarHBondContact O-N 3.21Å; L190-N192 PolarHBondContact O-N 3.31Å; L190-K193 PolarHBondContact O-N 2.85Å; L190-M194 HydrophobicContact CD2-CE 4.04Å; L190-M194 HydrophobicContact CD2-CG 4.36Å; L190-M194 HydrophobicContact CD2-SD 4.2Å; L190-M194 WeakPolarHBondContact O-CA 3.48Å; L190-M194 WeakPolarHBondContact O-CB 3.34Å; L190-M194 PolarHBondContact O-N 2.9Å; L190-I220 HydrophobicContact CD2-CG2 4.19Å; L190-L224 HydrophobicContact CD2-CD1 4.19Å
191R82.7Confident79.5Confident203 Ų20372.9 Ų72.977%0.76636%0.361SS*.Hα-helixtrans-69-31.5179.6-73.4-178.1179170.51113.8V187 I189 K193V187-R191 HydrophobicContact CG1-CG 3.96Å; V187-R191 WeakPolarHBondContact O-CB 3.45Å; V187-R191 WeakPolarHBondContact O-CG 3.44Å; V187-R191 PolarHBondContact O-N 3.28Å; I189-R191 PolarHBondContact O-N 3.41Å; R191-K193 VanDerWaalsContact C-N 3.3Å
192N79.2Confident79Confident136 Ų13673 Ų7373%0.72736%0.355SS*.Hα-helixtrans-75.6-20.7179.6-72.8-9000112.8K188 I189 L190K188-N192 VanDerWaalsContact O-CB 3.28Å; K188-N192 WeakPolarHBondContact O-CB 3.44Å; K188-N192 PolarHBondContact O-N 3.02Å; K188-N192 PolarHBondContact O-ND2 3.42Å; K188-N192 PolarHBondContact O-OD1 3.03Å; I189-N192 PolarHBondContact O-N 2.73Å; L190-N192 PolarHBondContact O-N 3.31Å
193K73.3Confident78.4Confident97 Ų9773.5 Ų73.542%0.42237%0.367SS..Hα-helixtrans-121.4-31.4-171.8-66.8-69.4-172.1167.70114.4I189 L190 R191 N195 I198 I220I189-K193 PolarHBondContact O-N 3.42Å; L190-K193 PolarHBondContact O-N 2.85Å; R191-K193 VanDerWaalsContact C-N 3.3Å; K193-N195 PolarHBondContact O-N 3.14Å; K193-I198 WeakPolarHBondContact O-CD1 3.48Å; K193-I220 HydrophobicContact CB-CD1 3.94Å; K193-I220 HydrophobicContact CB-CG1 3.88Å
194M74.3Confident77.6Confident34 Ų3476 Ų7617%0.16739%0.386CS..  trans-78.493.1175-69-152.5161.700110.5L190 I198 I199 W202 L217 I220L190-M194 HydrophobicContact CD2-CE 4.04Å; L190-M194 HydrophobicContact CD2-CG 4.36Å; L190-M194 HydrophobicContact CD2-SD 4.2Å; L190-M194 WeakPolarHBondContact O-CA 3.48Å; L190-M194 WeakPolarHBondContact O-CB 3.34Å; L190-M194 PolarHBondContact O-N 2.9Å; M194-I198 HydrophobicContact CE-CG2 4.17Å; M194-I198 HydrophobicContact CG-CG2 4.03Å; M194-I198 HydrophobicContact SD-CG2 4.48Å; M194-I199 HydrophobicContact CB-CD1 4.3Å; M194-I199 HydrophobicContact CB-CG1 3.9Å; M194-I199 HydrophobicContact SD-CG1 4.2Å; M194-W202 HydrophobicContact CE-CG 4.44Å; M194-L217 HydrophobicContact CE-CD1 4.02Å; M194-I220 HydrophobicContact CE-CD1 4.44Å; M194-I220 HydrophobicContact CG-CD1 4.01Å
195N74.5Confident76.5Confident79 Ų7976.6 Ų76.642%0.42239%0.387SS..  trans-76.2171.8161.36336.1000110.2K193 H197 I198 I199K193-N195 PolarHBondContact O-N 3.14Å; N195-H197 VanDerWaalsContact C-N 3.25Å; N195-H197 PolarHBondContact O-N 3.23Å; N195-H197 WeakPolarHBondContact OD1-CB 3.38Å; N195-H197 PolarHBondContact OD1-N 3.37Å; N195-I198 PolarHBondContact O-N 3.01Å; N195-I198 WeakPolarHBondContact OD1-CG1 3.48Å; N195-I198 PolarHBondContact OD1-N 3.28Å; N195-I199 WeakPolarHBondContact O-CG1 3.45Å; N195-I199 PolarHBondContact O-N 2.81Å; N195-I199 VanDerWaalsContact O-N 3.12Å
196S73.1Confident75.2Confident89 Ų8981.7 Ų81.762%0.62241%0.405SS*.Hα-helixtrans-55.2-40.6-178.453.30000112.9I198 I199 D200S196-I198 PolarHBondContact O-N 3.12Å; S196-I199 PolarHBondContact O-N 3.31Å; S196-D200 VanDerWaalsContact O-CG 3.29Å; S196-D200 PolarHBondContact O-N 2.92Å
197H74.3Confident73.8Confident118 Ų11884.9 Ų84.955%0.54643%0.43SS..Hα-helixtrans-60.6-45.9179.9-176.6-81.9000112.3N195 I199 D200 E201N195-H197 VanDerWaalsContact C-N 3.25Å; N195-H197 PolarHBondContact O-N 3.23Å; N195-H197 WeakPolarHBondContact OD1-CB 3.38Å; N195-H197 PolarHBondContact OD1-N 3.37Å; H197-I199 VanDerWaalsContact C-N 3.32Å; H197-I199 PolarHBondContact O-N 3.14Å; H197-D200 PolarHBondContact O-N 2.8Å; H197-E201 WeakPolarHBondContact O-CB 3.37Å; H197-E201 PolarHBondContact O-N 3.18Å
198I73.4Confident72Confident6 Ų688.5 Ų88.53%0.03145%0.448CS..Hα-helixtrans-67.8-34.6178.5-66.8164.1000111.2K193 M194 N195 S196 W202 Q216 L217 I220K193-I198 WeakPolarHBondContact O-CD1 3.48Å; M194-I198 HydrophobicContact CE-CG2 4.17Å; M194-I198 HydrophobicContact CG-CG2 4.03Å; M194-I198 HydrophobicContact SD-CG2 4.48Å; N195-I198 PolarHBondContact O-N 3.01Å; N195-I198 WeakPolarHBondContact OD1-CG1 3.48Å; N195-I198 PolarHBondContact OD1-N 3.28Å; S196-I198 PolarHBondContact O-N 3.12Å; I198-W202 WeakPolarHBondContact O-CB 3.46Å; I198-W202 PolarHBondContact O-N 3.45Å; I198-Q216 HydrophobicContact CD1-CB 4.12Å; I198-Q216 HydrophobicContact CG1-CB 4.34Å; I198-L217 HydrophobicContact CG2-CD1 4.05Å; I198-I220 HydrophobicContact CD1-CD1 4.22Å; I198-I220 HydrophobicContact CG2-CD1 3.86Å
199I73.7Confident70.4Confident70 Ų7092 Ų9236%0.35946%0.459SS..Hα-helixtrans-64.9-44.8176.1-65.9170.7000110.4M194 N195 S196 H197 W202 C203M194-I199 HydrophobicContact CB-CD1 4.3Å; M194-I199 HydrophobicContact CB-CG1 3.9Å; M194-I199 HydrophobicContact SD-CG1 4.2Å; N195-I199 WeakPolarHBondContact O-CG1 3.45Å; N195-I199 PolarHBondContact O-N 2.81Å; N195-I199 VanDerWaalsContact O-N 3.12Å; S196-I199 PolarHBondContact O-N 3.31Å; H197-I199 VanDerWaalsContact C-N 3.32Å; H197-I199 PolarHBondContact O-N 3.14Å; I199-W202 PolarHBondContact O-N 2.85Å; I199-C203 WeakPolarHBondContact O-CB 3.22Å; I199-C203 PolarHBondContact O-N 3.28Å; I199-C203 PolarHBondContact O-SG 2.94Å
200D73.4Confident69Low103 Ų10397.6 Ų97.655%0.55149%0.489SS*.Hα-helixtrans-63.6-42.9178.5-67.4-25.2000111.2S196 H197 C203 T204S196-D200 VanDerWaalsContact O-CG 3.29Å; S196-D200 PolarHBondContact O-N 2.92Å; H197-D200 PolarHBondContact O-N 2.8Å; D200-C203 PolarHBondContact O-N 3.09Å; D200-T204 WeakPolarHBondContact O-CB 3.24Å; D200-T204 PolarHBondContact O-N 2.8Å; D200-T204 PolarHBondContact O-OG1 2.92Å
201E72Confident67.5Low50 Ų5098.6 Ų98.623%0.23449%0.494CS..Hα-helixtrans-58.4-51173.3-170.9171.8-142.600111H197 C203 T204 E205 S214H197-E201 WeakPolarHBondContact O-CB 3.37Å; H197-E201 PolarHBondContact O-N 3.18Å; E201-C203 VanDerWaalsContact C-N 3.34Å; E201-C203 PolarHBondContact O-N 3.42Å; E201-T204 PolarHBondContact O-N 3.06Å; E201-T204 VanDerWaalsContact O-N 3.16Å; E201-E205 WeakPolarHBondContact O-CB 3.43Å; E201-E205 WeakPolarHBondContact O-CG 3.21Å; E201-E205 PolarHBondContact O-N 3.23Å; E201-S214 VanDerWaalsContact CD-OG 3.24Å; E201-S214 WeakPolarHBondContact OE1-CB 3.27Å; E201-S214 PolarHBondContact OE1-OG 3.01Å; E201-S214 VanDerWaalsContact OE2-CB 3.3Å; E201-S214 WeakPolarHBondContact OE2-CB 3.32Å; E201-S214 PolarHBondContact OE2-OG 3.28Å
202W71Confident66.1Low90 Ų9097.7 Ų97.734%0.34150%0.496SS..Hα-helixtrans-62.2-37.3178.5-176.260.4000113.4M194 I198 I199 T204 K206 L217M194-W202 HydrophobicContact CE-CG 4.44Å; I198-W202 WeakPolarHBondContact O-CB 3.46Å; I198-W202 PolarHBondContact O-N 3.45Å; I199-W202 PolarHBondContact O-N 2.85Å; W202-T204 VanDerWaalsContact C-N 3.34Å; W202-K206 VanDerWaalsContact CE2-CE 3.5Å; W202-K206 VanDerWaalsContact CZ3-NZ 3.34Å; W202-K206 PolarHBondContact O-N 3.25Å; W202-L217 HydrophobicContact CB-CD1 4.43Å
203C72.3Confident65.2Low75 Ų7599.4 Ų99.451%0.50750%0.499SS..Hα-helixtrans-68.4-34.9177.1-69.60000112I199 D200 E201I199-C203 WeakPolarHBondContact O-CB 3.22Å; I199-C203 PolarHBondContact O-N 3.28Å; I199-C203 PolarHBondContact O-SG 2.94Å; D200-C203 PolarHBondContact O-N 3.09Å; E201-C203 VanDerWaalsContact C-N 3.34Å; E201-C203 PolarHBondContact O-N 3.42Å
204T70.4Confident64.9Low102 Ų10295.1 Ų95.163%0.62648%0.481SS*.Hα-helixtrans-74-43.8178.5-52.50000111D200 E201 W202 K206 S207D200-T204 WeakPolarHBondContact O-CB 3.24Å; D200-T204 PolarHBondContact O-N 2.8Å; D200-T204 PolarHBondContact O-OG1 2.92Å; E201-T204 PolarHBondContact O-N 3.06Å; E201-T204 VanDerWaalsContact O-N 3.16Å; W202-T204 VanDerWaalsContact C-N 3.34Å; T204-K206 PolarHBondContact O-N 2.85Å; T204-S207 PolarHBondContact O-OG 2.79Å
205E64Low64.6Low37 Ų37100.3 Ų100.317%0.17351%0.507CS..Hα-helixtrans-70.8-23.1-177.1-74.8-168.1162.800114.4E201 S207 N208 L217E201-E205 WeakPolarHBondContact O-CB 3.43Å; E201-E205 WeakPolarHBondContact O-CG 3.21Å; E201-E205 PolarHBondContact O-N 3.23Å; E205-S207 PolarHBondContact O-N 3.19Å; E205-N208 CarbonylContact O-C 3.58Å; E205-N208 WeakPolarHBondContact O-CA 3.46Å; E205-N208 PolarHBondContact O-N 2.93Å; E205-L217 WeakPolarHBondContact OE2-CD2 3.41Å
206K61.3Low64.5Low136 Ų136101 Ų10159%0.59151%0.508SS*.THydrogen-bonded Turntrans-52.6-23.9178.3-93.7-179.4-176.3166.10114.7W202 T204 N208W202-K206 VanDerWaalsContact CE2-CE 3.5Å; W202-K206 VanDerWaalsContact CZ3-NZ 3.34Å; W202-K206 PolarHBondContact O-N 3.25Å; T204-K206 PolarHBondContact O-N 2.85Å; K206-N208 VanDerWaalsContact C-N 3.35Å
207S56Low64.6Low96 Ų9696.8 Ų96.867%0.67148%0.478SS*.THydrogen-bonded Turntrans-73.6-23.5175.461.30000113.6T204 E205T204-S207 PolarHBondContact O-OG 2.79Å; E205-S207 PolarHBondContact O-N 3.19Å
208N49.5Very low64.9Low113 Ų11393.8 Ų93.860%0.60447%0.466SS*.SBendtrans-122103-175.7-69.4-42.7000109.8E205 K206 N210E205-N208 CarbonylContact O-C 3.58Å; E205-N208 WeakPolarHBondContact O-CA 3.46Å; E205-N208 PolarHBondContact O-N 2.93Å; K206-N208 VanDerWaalsContact C-N 3.35Å; N208-N210 PolarHBondContact O-N 2.98Å
209Y48.4Very low65.3Low219 Ų21997.9 Ų97.986%0.85949%0.485SS*.  trans-59.25.5-179.2-151.6-98.6000115.4L211Y209-L211 PolarHBondContact O-N 3.15Å
210N49.2Very low65.6Low137 Ų13794.7 Ų94.773%0.73347%0.469SS*.  trans-91.275.5178.2-78.5-29.1000111N208 K212N208-N210 PolarHBondContact O-N 2.98Å; N210-K212 PolarHBondContact O-N 2.75Å
211L51.6Low66.1Low81 Ų8192.5 Ų92.542%0.42445%0.453SS..  trans-64.434.3-176.2-75159.6000116.6Y209 N218 Y221Y209-L211 PolarHBondContact O-N 3.15Å; L211-N218 PolarHBondContact O-OD1 3.1Å; L211-Y221 HydrophobicContact CD2-CE2 3.81Å; L211-Y221 WeakPolarHBondContact CD2-OH 3.46Å
212K54.5Low66.7Low183 Ų18395.2 Ų95.280%0.79647%0.47SS*.  trans-118.27.7-165.2-88.2-169.1176-174.10118.8N210N210-K212 PolarHBondContact O-N 2.75Å
213Q58.8Low67.3Low172 Ų17294.1 Ų94.180%0.80447%0.468SS*.SBendtrans-104.3-22.4-172-69.3-175.956.200115.7
214S66.8Low68Low7 Ų791.9 Ų91.95%0.04945%0.451CS..  trans-92.6109.7179.4179.10000112.7E201 Q216 L217 N218E201-S214 VanDerWaalsContact CD-OG 3.24Å; E201-S214 WeakPolarHBondContact OE1-CB 3.27Å; E201-S214 PolarHBondContact OE1-OG 3.01Å; E201-S214 VanDerWaalsContact OE2-CB 3.3Å; E201-S214 WeakPolarHBondContact OE2-CB 3.32Å; E201-S214 PolarHBondContact OE2-OG 3.28Å; S214-Q216 PolarHBondContact O-N 2.86Å; S214-L217 VanDerWaalsContact CB-CB 3.47Å; S214-L217 PolarHBondContact O-N 3.01Å; S214-L217 VanDerWaalsContact OG-CB 3.29Å; S214-L217 WeakPolarHBondContact OG-CB 3.19Å; S214-L217 PolarHBondContact OG-N 3.01Å; S214-N218 PolarHBondContact O-N 3.33Å; S214-N218 PolarHBondContact O-ND2 3.48Å
215M69.8Low68.7Low144 Ų14491.6 Ų91.671%0.70945%0.446SS*.Hα-helixtrans-58.3-36.7174.1-164.8174.28500111.5E219M215-E219 PolarHBondContact O-N 2.75Å; M215-E219 VanDerWaalsContact O-N 3.12Å
216Q71.8Confident69.9Low93 Ų9395.3 Ų95.344%0.43546%0.463SS..Hα-helixtrans-71.7-37.8179-67.4-179.1-0.700112.5I198 S214 E219 I220I198-Q216 HydrophobicContact CD1-CB 4.12Å; I198-Q216 HydrophobicContact CG1-CB 4.34Å; S214-Q216 PolarHBondContact O-N 2.86Å; Q216-E219 PolarHBondContact O-N 3.13Å; Q216-I220 WeakPolarHBondContact O-CG1 3.32Å; Q216-I220 PolarHBondContact O-N 2.88Å
217L75.3Confident71Confident1 Ų190.5 Ų90.51%0.00544%0.444CS..Hα-helixtrans-68.8-38.3175.8-163.268.8000111.2M194 I198 W202 E205 S214 E219 I220 Y221M194-L217 HydrophobicContact CE-CD1 4.02Å; I198-L217 HydrophobicContact CG2-CD1 4.05Å; W202-L217 HydrophobicContact CB-CD1 4.43Å; E205-L217 WeakPolarHBondContact OE2-CD2 3.41Å; S214-L217 VanDerWaalsContact CB-CB 3.47Å; S214-L217 PolarHBondContact O-N 3.01Å; S214-L217 VanDerWaalsContact OG-CB 3.29Å; S214-L217 WeakPolarHBondContact OG-CB 3.19Å; S214-L217 PolarHBondContact OG-N 3.01Å; L217-E219 PolarHBondContact O-N 3.14Å; L217-I220 WeakPolarHBondContact O-CB 3.25Å; L217-I220 PolarHBondContact O-N 2.91Å; L217-I220 VanDerWaalsContact O-N 3.13Å; L217-Y221 HydrophobicContact CB-CE2 4.4Å; L217-Y221 HydrophobicContact CD1-CE2 4.42Å; L217-Y221 HydrophobicContact CD2-CE2 3.61Å; L217-Y221 WeakPolarHBondContact CD2-OH 3.32Å; L217-Y221 HydrophobicContact CG-CD2 4.14Å; L217-Y221 HydrophobicContact CG-CE2 3.45Å; L217-Y221 VanDerWaalsContact CG-CE2 3.45Å; L217-Y221 WeakPolarHBondContact O-CD2 3.25Å; L217-Y221 PolarHBondContact O-N 3.27Å
218N79.9Confident72.5Confident55 Ų5587.4 Ų87.429%0.29442%0.421SS..Hα-helixtrans-60.3-42.5173.5-71.3-28.6000111.8L211 S214 I220 Y221 D222L211-N218 PolarHBondContact O-OD1 3.1Å; S214-N218 PolarHBondContact O-N 3.33Å; S214-N218 PolarHBondContact O-ND2 3.48Å; N218-I220 VanDerWaalsContact C-N 3.27Å; N218-I220 PolarHBondContact O-N 3.13Å; N218-Y221 PolarHBondContact O-N 3.31Å; N218-Y221 VanDerWaalsContact O-N 3.14Å; N218-D222 PolarHBondContact O-N 3.13Å
219E81.7Confident74.4Confident91 Ų9186.7 Ų86.743%0.42542%0.417SS..Hα-helixtrans-60.2-36.5174-74.4179.9-168.500112.8M215 Q216 L217 Q223M215-E219 PolarHBondContact O-N 2.75Å; M215-E219 VanDerWaalsContact O-N 3.12Å; Q216-E219 PolarHBondContact O-N 3.13Å; L217-E219 PolarHBondContact O-N 3.14Å; E219-Q223 WeakPolarHBondContact O-CG 3.3Å; E219-Q223 PolarHBondContact O-N 3.26Å
220I81.2Confident76.2Confident4 Ų481.1 Ų81.12%0.02140%0.398CS..Hα-helixtrans-68.8-42.4175.4-66.4169.7000110.2L190 K193 M194 I198 Q216 L217 N218 Q223 L224L190-I220 HydrophobicContact CD2-CG2 4.19Å; K193-I220 HydrophobicContact CB-CD1 3.94Å; K193-I220 HydrophobicContact CB-CG1 3.88Å; M194-I220 HydrophobicContact CE-CD1 4.44Å; M194-I220 HydrophobicContact CG-CD1 4.01Å; I198-I220 HydrophobicContact CD1-CD1 4.22Å; I198-I220 HydrophobicContact CG2-CD1 3.86Å; Q216-I220 WeakPolarHBondContact O-CG1 3.32Å; Q216-I220 PolarHBondContact O-N 2.88Å; L217-I220 WeakPolarHBondContact O-CB 3.25Å; L217-I220 PolarHBondContact O-N 2.91Å; L217-I220 VanDerWaalsContact O-N 3.13Å; N218-I220 VanDerWaalsContact C-N 3.27Å; N218-I220 PolarHBondContact O-N 3.13Å; I220-Q223 PolarHBondContact O-N 2.82Å; I220-L224 HydrophobicContact CG2-CD1 3.9Å; I220-L224 HydrophobicContact CG2-CG 4.36Å; I220-L224 WeakPolarHBondContact O-CB 3.18Å; I220-L224 VanDerWaalsContact O-CG 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.2Å; I220-L224 PolarHBondContact O-N 2.73Å
221Y83.1Confident77.9Confident56 Ų5674.6 Ų74.622%0.2236%0.363CS..Hα-helixtrans-62.7-47.8176.6-67.5-39.8000112.1L211 L217 N218 Q223 L224 D225L211-Y221 HydrophobicContact CD2-CE2 3.81Å; L211-Y221 WeakPolarHBondContact CD2-OH 3.46Å; L217-Y221 HydrophobicContact CB-CE2 4.4Å; L217-Y221 HydrophobicContact CD1-CE2 4.42Å; L217-Y221 HydrophobicContact CD2-CE2 3.61Å; L217-Y221 WeakPolarHBondContact CD2-OH 3.32Å; L217-Y221 HydrophobicContact CG-CD2 4.14Å; L217-Y221 HydrophobicContact CG-CE2 3.45Å; L217-Y221 VanDerWaalsContact CG-CE2 3.45Å; L217-Y221 WeakPolarHBondContact O-CD2 3.25Å; L217-Y221 PolarHBondContact O-N 3.27Å; N218-Y221 PolarHBondContact O-N 3.31Å; N218-Y221 VanDerWaalsContact O-N 3.14Å; Y221-Q223 VanDerWaalsContact C-N 3.27Å; Y221-Q223 PolarHBondContact O-N 3.39Å; Y221-L224 PolarHBondContact O-N 2.93Å; Y221-L224 VanDerWaalsContact O-N 3.09Å; Y221-D225 WeakPolarHBondContact O-CB 3.47Å; Y221-D225 PolarHBondContact O-N 2.5Å
222D84.9Confident79.5Confident108 Ų10874 Ų7458%0.57836%0.36SS*.Hα-helixtrans-58.8-39.8178.8-70.1-20.6000111.8N218 Q226N218-D222 PolarHBondContact O-N 3.13Å; D222-Q226 WeakPolarHBondContact O-CB 3.45Å; D222-Q226 PolarHBondContact O-N 2.75Å
223Q82.9Confident80.9Confident66 Ų6671 Ų7131%0.30836%0.357SS..Hα-helixtrans-68.7-41.9175.5-75.3176.526.700112.5E219 I220 Y221 D225 I227E219-Q223 WeakPolarHBondContact O-CG 3.3Å; E219-Q223 PolarHBondContact O-N 3.26Å; I220-Q223 PolarHBondContact O-N 2.82Å; Y221-Q223 VanDerWaalsContact C-N 3.27Å; Y221-Q223 PolarHBondContact O-N 3.39Å; Q223-D225 VanDerWaalsContact C-N 3.33Å; Q223-I227 WeakPolarHBondContact O-CB 3.41Å; Q223-I227 WeakPolarHBondContact O-CD1 3.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.35Å; Q223-I227 PolarHBondContact O-N 3.37Å
224L86.2Confident82Confident29 Ų2967.8 Ų67.815%0.15234%0.341CS..Hα-helixtrans-62.6-43.5175.9-73.2171.4000110.6L186 I189 L190 I220 Y221 I227 V228L186-L224 HydrophobicContact CD2-CD2 4.11Å; I189-L224 HydrophobicContact CB-CD2 4.43Å; I189-L224 HydrophobicContact CD1-CD2 4.24Å; I189-L224 HydrophobicContact CG2-CD2 4.21Å; L190-L224 HydrophobicContact CD2-CD1 4.19Å; I220-L224 HydrophobicContact CG2-CD1 3.9Å; I220-L224 HydrophobicContact CG2-CG 4.36Å; I220-L224 WeakPolarHBondContact O-CB 3.18Å; I220-L224 VanDerWaalsContact O-CG 3.25Å; I220-L224 WeakPolarHBondContact O-CG 3.2Å; I220-L224 PolarHBondContact O-N 2.73Å; Y221-L224 PolarHBondContact O-N 2.93Å; Y221-L224 VanDerWaalsContact O-N 3.09Å; L224-I227 PolarHBondContact O-N 3.36Å; L224-V228 WeakPolarHBondContact O-CB 3.37Å; L224-V228 WeakPolarHBondContact O-CG2 3.5Å; L224-V228 PolarHBondContact O-N 3.16Å
225D86.7Confident82.7Confident95 Ų9570.4 Ų70.451%0.50835%0.351SS..Hα-helixtrans-63-47.8177.8-76.8-10.3000110.9Y221 Q223 I227 V228 D229Y221-D225 WeakPolarHBondContact O-CB 3.47Å; Y221-D225 PolarHBondContact O-N 2.5Å; Q223-D225 VanDerWaalsContact C-N 3.33Å; D225-I227 PolarHBondContact O-N 2.9Å; D225-V228 PolarHBondContact O-N 3.34Å; D225-D229 WeakPolarHBondContact O-CB 3.32Å; D225-D229 PolarHBondContact O-N 2.88Å
226Q88.1Confident83.2Confident115 Ų11567.1 Ų67.154%0.53734%0.343SS..Hα-helixtrans-57.2-39.7175.7-171.7-177.922.400112D222 Q230D222-Q226 WeakPolarHBondContact O-CB 3.45Å; D222-Q226 PolarHBondContact O-N 2.75Å; Q226-Q230 WeakPolarHBondContact O-CB 3.33Å; Q226-Q230 WeakPolarHBondContact O-CG 3.42Å; Q226-Q230 PolarHBondContact O-N 3Å
227I85.8Confident83.6Confident36 Ų3666 Ų6619%0.18535%0.35CS..Hα-helixtrans-72.2-41-179.6-75.2171.6000111.5V184 L186 I189 Q223 L224 D225 A231V184-I227 HydrophobicContact CB-CG2 4.2Å; V184-I227 HydrophobicContact CG1-CG2 3.38Å; L186-I227 HydrophobicContact CD2-CG2 4.43Å; I189-I227 HydrophobicContact CD1-CD1 3.21Å; I189-I227 HydrophobicContact CD1-CG1 4.46Å; I189-I227 HydrophobicContact CD1-CG2 4.35Å; I189-I227 HydrophobicContact CG1-CD1 3.69Å; Q223-I227 WeakPolarHBondContact O-CB 3.41Å; Q223-I227 WeakPolarHBondContact O-CD1 3.29Å; Q223-I227 WeakPolarHBondContact O-CG1 3.35Å; Q223-I227 PolarHBondContact O-N 3.37Å; L224-I227 PolarHBondContact O-N 3.36Å; D225-I227 PolarHBondContact O-N 2.9Å; I227-A231 VanDerWaalsContact O-CB 3.22Å; I227-A231 WeakPolarHBondContact O-CB 3.37Å; I227-A231 PolarHBondContact O-N 2.98Å
228V87Confident83.8Confident31 Ų3169.4 Ų69.419%0.18837%0.373CS..Hα-helixtrans-62.2-47.7173.8171.30000109.6L166 L174 L224 D225 A231 L232L166-V228 HydrophobicContact CD1-CG1 4.28Å; L174-V228 HydrophobicContact CD2-CB 4.37Å; L174-V228 HydrophobicContact CD2-CG1 4.46Å; L174-V228 HydrophobicContact CD2-CG2 3.78Å; L224-V228 WeakPolarHBondContact O-CB 3.37Å; L224-V228 WeakPolarHBondContact O-CG2 3.5Å; L224-V228 PolarHBondContact O-N 3.16Å; D225-V228 PolarHBondContact O-N 3.34Å; V228-A231 CarbonylContact O-C 3.57Å; V228-A231 WeakPolarHBondContact O-CB 3.19Å; V228-A231 PolarHBondContact O-N 3.36Å; V228-A231 VanDerWaalsContact O-N 3.14Å; V228-L232 HydrophobicContact CG1-CD1 3.88Å; V228-L232 HydrophobicContact CG1-CG 4.25Å; V228-L232 WeakPolarHBondContact O-CB 3.26Å; V228-L232 VanDerWaalsContact O-CG 3.26Å; V228-L232 WeakPolarHBondContact O-CG 3.46Å; V228-L232 PolarHBondContact O-N 3.01Å
229D88.1Confident83.7Confident98 Ų9868.5 Ų68.552%0.52437%0.367SS..Hα-helixtrans-61.1-49.1179.5-78.2-14000111.6D225 A231 L232 T233D225-D229 WeakPolarHBondContact O-CB 3.32Å; D225-D229 PolarHBondContact O-N 2.88Å; D229-A231 VanDerWaalsContact C-N 3.26Å; D229-A231 PolarHBondContact O-N 3.15Å; D229-L232 WeakPolarHBondContact O-CB 3.36Å; D229-L232 PolarHBondContact O-N 2.72Å; D229-L232 VanDerWaalsContact O-N 3.12Å; D229-T233 WeakPolarHBondContact O-CG2 3.22Å; D229-T233 PolarHBondContact O-N 3.03Å
230Q86.9Confident83.4Confident101 Ų10169.5 Ų69.547%0.47237%0.37SS..Hα-helixtrans-58.5-40174.7-75.9175.97.600111.9Q226 T233Q226-Q230 WeakPolarHBondContact O-CB 3.33Å; Q226-Q230 WeakPolarHBondContact O-CG 3.42Å; Q226-Q230 PolarHBondContact O-N 3Å; Q230-T233 PolarHBondContact O-N 2.97Å; Q230-T233 PolarHBondContact O-OG1 3.12Å
231A84.6Confident83.3Confident0 Ų071.3 Ų71.30%039%0.39CS..Hα-helixtrans-67.3-39.4177.300000111.6L174 I176 Y182 V184 I227 V228 D229 T233 K234L174-A231 HydrophobicContact CD2-CB 4.44Å; I176-A231 HydrophobicContact CD1-CB 3.62Å; I176-A231 HydrophobicContact CG1-CB 3.75Å; Y182-A231 HydrophobicContact CE1-CB 3.88Å; V184-A231 HydrophobicContact CG2-CB 3.94Å; I227-A231 VanDerWaalsContact O-CB 3.22Å; I227-A231 WeakPolarHBondContact O-CB 3.37Å; I227-A231 PolarHBondContact O-N 2.98Å; V228-A231 CarbonylContact O-C 3.57Å; V228-A231 WeakPolarHBondContact O-CB 3.19Å; V228-A231 PolarHBondContact O-N 3.36Å; V228-A231 VanDerWaalsContact O-N 3.14Å; D229-A231 VanDerWaalsContact C-N 3.26Å; D229-A231 PolarHBondContact O-N 3.15Å; A231-T233 VanDerWaalsContact C-N 3.31Å; A231-T233 PolarHBondContact O-N 3.11Å; A231-K234 WeakPolarHBondContact O-CB 3.35Å; A231-K234 PolarHBondContact O-N 3.42Å; A231-K234 VanDerWaalsContact O-N 3.14Å
232L84.9Confident83.1Confident69 Ų6970 Ų7036%0.36139%0.39SS..Hα-helixtrans-62.6-35.4176.7-73.1172.3000112.2L166 I176 V228 D229 K234 K235L166-L232 HydrophobicContact CD1-CD2 4.49Å; L166-L232 HydrophobicContact CD2-CD2 3.51Å; L166-L232 HydrophobicContact CG-CD2 4.39Å; I176-L232 HydrophobicContact CD1-CD2 4.31Å; I176-L232 HydrophobicContact CG2-CD2 4.32Å; V228-L232 HydrophobicContact CG1-CD1 3.88Å; V228-L232 HydrophobicContact CG1-CG 4.25Å; V228-L232 WeakPolarHBondContact O-CB 3.26Å; V228-L232 VanDerWaalsContact O-CG 3.26Å; V228-L232 WeakPolarHBondContact O-CG 3.46Å; V228-L232 PolarHBondContact O-N 3.01Å; D229-L232 WeakPolarHBondContact O-CB 3.36Å; D229-L232 PolarHBondContact O-N 2.72Å; D229-L232 VanDerWaalsContact O-N 3.12Å; L232-K234 PolarHBondContact O-N 3.22Å; L232-K234 VanDerWaalsContact O-N 3.15Å; L232-K235 VanDerWaalsContact O-CB 3.24Å; L232-K235 WeakPolarHBondContact O-CB 3.31Å; L232-K235 PolarHBondContact O-N 3.46Å
233T84.9Confident82.8Confident119 Ų11971 Ų7173%0.7340%0.396SS*.Hα-helixtrans-62.2-21176690000113.6D229 Q230 A231 K235D229-T233 WeakPolarHBondContact O-CG2 3.22Å; D229-T233 PolarHBondContact O-N 3.03Å; Q230-T233 PolarHBondContact O-N 2.97Å; Q230-T233 PolarHBondContact O-OG1 3.12Å; A231-T233 VanDerWaalsContact C-N 3.31Å; A231-T233 PolarHBondContact O-N 3.11Å; T233-K235 VanDerWaalsContact C-N 3.3Å
234K82.3Confident82.6Confident105 Ų10573.4 Ų73.446%0.45741%0.407SS..THydrogen-bonded Turntrans-84.4-3.8177.9-66.2177.8176.4177.70113.4Y182 A231 L232 S236Y182-K234 HydrophobicContact CD1-CB 4.29Å; Y182-K234 HydrophobicContact CD1-CD 3.88Å; Y182-K234 HydrophobicContact CD2-CD 4.03Å; Y182-K234 HydrophobicContact CE1-CB 4.4Å; Y182-K234 HydrophobicContact CE1-CD 3.47Å; Y182-K234 VanDerWaalsContact CE1-CD 3.47Å; Y182-K234 HydrophobicContact CE1-CG 4.47Å; Y182-K234 HydrophobicContact CE2-CD 3.68Å; Y182-K234 HydrophobicContact CG-CD 4.13Å; Y182-K234 PolarHBondContact OH-NZ 3.24Å; A231-K234 WeakPolarHBondContact O-CB 3.35Å; A231-K234 PolarHBondContact O-N 3.42Å; A231-K234 VanDerWaalsContact O-N 3.14Å; L232-K234 PolarHBondContact O-N 3.22Å; L232-K234 VanDerWaalsContact O-N 3.15Å; K234-S236 PolarHBondContact O-N 3.34Å
235K81.7Confident82.2Confident62 Ų6272.1 Ų72.127%0.2740%0.4SS..  trans-67.6117.1177.7-172.7-173.3163.3-141.80110.3C160 A161 C163 I176 L232 T233C160-K235 WeakPolarHBondContact O-CE 3.16Å; C160-K235 PolarHBondContact O-NZ 3.28Å; A161-K235 PolarHBondContact O-NZ 3.02Å; A161-K235 VanDerWaalsContact O-NZ 3.17Å; C163-K235 WeakPolarHBondContact O-CE 3.11Å; C163-K235 PolarHBondContact O-NZ 3.49Å; I176-K235 HydrophobicContact CG2-CB 3.83Å; I176-K235 HydrophobicContact CG2-CG 4.19Å; L232-K235 VanDerWaalsContact O-CB 3.24Å; L232-K235 WeakPolarHBondContact O-CB 3.31Å; L232-K235 PolarHBondContact O-N 3.46Å; T233-K235 VanDerWaalsContact C-N 3.3Å
236S80.2Confident81.7Confident75 Ų7569.2 Ų69.252%0.52439%0.389SS..  trans-70143.7173-60.80000112K234 S238K234-S236 PolarHBondContact O-N 3.34Å; S236-S238 VanDerWaalsContact C-N 3.25Å; S236-S238 VanDerWaalsContact CB-O 3.27Å; S236-S238 WeakPolarHBondContact CB-O 3.47Å; S236-S238 PolarHBondContact O-N 3.04Å
237A79.8Confident81.1Confident71 Ų7168.2 Ų68.259%0.58740%0.395SS*.SBendtrans-70-22176.500000113.1C160 A161C160-A237 CarbonylContact C-O 3.6Å; C160-A237 WeakPolarHBondContact CB-O 3.14Å; A161-A237 PolarHBondContact N-O 2.94Å
238S79.2Confident80.6Confident71 Ų7167.6 Ų67.650%0.49739%0.394SS..SBendtrans-133.3153.9175.560.10000110.5S236S236-S238 VanDerWaalsContact C-N 3.25Å; S236-S238 VanDerWaalsContact CB-O 3.27Å; S236-S238 WeakPolarHBondContact CB-O 3.47Å; S236-S238 PolarHBondContact O-N 3.04Å
239H77.3Confident79.9Confident37 Ų3772 Ų7217%0.17142%0.42CS..PPolyproline II helixtrans-76.7164.8168.959.773.8000110.8S154 N158 L245S154-H239 PolarHBondContact O-NE2 2.65Å; N158-H239 WeakPolarHBondContact CB-NE2 3.06Å; H239-L245 HydrophobicContact CB-CD1 4.41Å
240K76.3Confident79.2Confident111 Ų11168.4 Ų68.448%0.48340%0.402SS..PPolyproline II helixtrans-64.2160.3172.2-63.5-178.1-177.7176.70111.1Q244 L245K240-Q244 HydrophobicContact CB-CB 4.03Å; K240-L245 HydrophobicContact CB-CD2 3.98Å; K240-L245 HydrophobicContact CB-CG 4.15Å; K240-L245 WeakPolarHBondContact O-CD1 3.43Å
241G79Confident78.5Confident42 Ų4269.3 Ų69.343%0.43340%0.401SS..PPolyproline II helixtrans-57.5154.3174.900000112.3D243 Q244 L245G241-D243 VanDerWaalsContact C-N 3.29Å; G241-D243 PolarHBondContact O-N 3.36Å; G241-Q244 WeakPolarHBondContact O-CB 3.44Å; G241-Q244 PolarHBondContact O-N 2.77Å; G241-Q244 VanDerWaalsContact O-N 3.07Å; G241-L245 PolarHBondContact O-N 3.43Å
242A78.3Confident77.6Confident28 Ų2872 Ų7223%0.23142%0.419CS..Hα-helixtrans-54.8-43.1-17200000113.2P98 W104 M155 Q244 L245 A246P98-A242 WeakPolarHBondContact CB-O 3.44Å; P98-A242 HydrophobicContact CG-CB 4.2Å; P98-A242 WeakPolarHBondContact CG-O 3.35Å; W104-A242 HydrophobicContact CZ2-CB 4.39Å; M155-A242 HydrophobicContact CE-CB 3.64Å; A242-Q244 PolarHBondContact O-N 2.83Å; A242-L245 WeakPolarHBondContact O-CB 3.32Å; A242-L245 PolarHBondContact O-N 3.43Å; A242-A246 PolarHBondContact O-N 2.67Å
243D77.9Confident76.6Confident129 Ų12972.2 Ų72.269%0.6942%0.419SS*.Hα-helixtrans-66-40.3180-57.5-27.9000111.9G241 L245 A246 S247G241-D243 VanDerWaalsContact C-N 3.29Å; G241-D243 PolarHBondContact O-N 3.36Å; D243-L245 VanDerWaalsContact C-N 3.31Å; D243-L245 PolarHBondContact O-N 3.05Å; D243-A246 PolarHBondContact O-N 3.39Å; D243-S247 PolarHBondContact O-N 3.47Å; D243-S247 PolarHBondContact O-OG 3.23Å
244Q78.5Confident75.3Confident117 Ų11769.8 Ų69.855%0.54740%0.404SS..Hα-helixtrans-65.7-35.6176.4-64.7179.28.700111.9K240 G241 A242 S247 S248K240-Q244 HydrophobicContact CB-CB 4.03Å; G241-Q244 WeakPolarHBondContact O-CB 3.44Å; G241-Q244 PolarHBondContact O-N 2.77Å; G241-Q244 VanDerWaalsContact O-N 3.07Å; A242-Q244 PolarHBondContact O-N 2.83Å; Q244-S247 PolarHBondContact O-OG 2.99Å; Q244-S248 VanDerWaalsContact O-CB 3.24Å; Q244-S248 WeakPolarHBondContact O-CB 3.41Å; Q244-S248 PolarHBondContact O-N 3.46Å
245L78.7Confident73.9Confident3 Ų374.3 Ų74.32%0.01642%0.418CS..Hα-helixtrans-67.1-43.8175-69.5176.4000111P98 H179 H239 K240 G241 A242 D243 S247 S248P98-L245 HydrophobicContact CB-CB 3.97Å; P98-L245 HydrophobicContact CG-CB 3.53Å; P98-L245 HydrophobicContact CG-CD1 3.84Å; P98-L245 HydrophobicContact CG-CG 4.32Å; H179-L245 HydrophobicContact CB-CD2 3.55Å; H239-L245 HydrophobicContact CB-CD1 4.41Å; K240-L245 HydrophobicContact CB-CD2 3.98Å; K240-L245 HydrophobicContact CB-CG 4.15Å; K240-L245 WeakPolarHBondContact O-CD1 3.43Å; G241-L245 PolarHBondContact O-N 3.43Å; A242-L245 WeakPolarHBondContact O-CB 3.32Å; A242-L245 PolarHBondContact O-N 3.43Å; D243-L245 VanDerWaalsContact C-N 3.31Å; D243-L245 PolarHBondContact O-N 3.05Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 3.36Å; L245-S248 PolarHBondContact O-N 3.12Å; L245-S248 PolarHBondContact O-OG 3.21Å
246A75.6Confident72.4Confident33 Ų3373.6 Ų73.627%0.27342%0.417SS..Hα-helixtrans-63.9-37.5-179.700000112.2P98 W104 A242 D243P98-A246 HydrophobicContact CB-CB 3.77Å; W104-A246 HydrophobicContact CB-CB 4.4Å; A242-A246 PolarHBondContact O-N 2.67Å; D243-A246 PolarHBondContact O-N 3.39Å
247S76.2Confident70.8Confident95 Ų9571.3 Ų71.366%0.66441%0.406SS*.Hα-helixtrans-86.3-11.2178.971.40000114D243 Q244 L245 V249D243-S247 PolarHBondContact O-N 3.47Å; D243-S247 PolarHBondContact O-OG 3.23Å; Q244-S247 PolarHBondContact O-OG 2.99Å; L245-S247 VanDerWaalsContact C-N 3.32Å; L245-S247 PolarHBondContact O-N 3.36Å; S247-V249 PolarHBondContact O-N 3.48Å
248S74.3Confident68.7Low22 Ų2271.6 Ų71.615%0.15442%0.415CS..SBendtrans-73.1126.8-177.167.30000111.5S100 Q244 L245 N250S100-S248 WeakPolarHBondContact CB-O 3.22Å; Q244-S248 VanDerWaalsContact O-CB 3.24Å; Q244-S248 WeakPolarHBondContact O-CB 3.41Å; Q244-S248 PolarHBondContact O-N 3.46Å; L245-S248 PolarHBondContact O-N 3.12Å; L245-S248 PolarHBondContact O-OG 3.21Å; S248-N250 PolarHBondContact O-N 3.25Å
249V72.2Confident68.2Low123 Ų12371.6 Ų71.675%0.74541%0.411SS*.  trans-69.8101.8167.5-179.90000107.3N181 S247N181-V249 VanDerWaalsContact CG-O 3.29Å; N181-V249 PolarHBondContact ND2-O 3.34Å; N181-V249 PolarHBondContact OD1-O 3.28Å; N181-V249 VanDerWaalsContact OD1-O 3.1Å; S247-V249 PolarHBondContact O-N 3.48Å
250N75.3Confident67.7Low24 Ų2473.4 Ų73.413%0.12842%0.423CS..  trans-130.1135.8178.1-175.32.2000110.6K175 L178 H179 N181 S248 S252K175-N250 PolarHBondContact NZ-OD1 3.22Å; L178-N250 PolarHBondContact O-ND2 3.49Å; H179-N250 WeakPolarHBondContact CA-ND2 3.47Å; N181-N250 WeakPolarHBondContact OD1-CA 3.46Å; N181-N250 VanDerWaalsContact OD1-CB 3.32Å; N181-N250 WeakPolarHBondContact OD1-CB 3.48Å; N181-N250 VanDerWaalsContact OD1-CG 3.28Å; N181-N250 PolarHBondContact OD1-OD1 3.06Å; S248-N250 PolarHBondContact O-N 3.25Å; N250-S252 PolarHBondContact O-N 3.48Å
251R71.6Confident67.2Low120 Ų12071.3 Ų71.345%0.45342%0.42SS..  trans-67.3105.2177-171.3-175.8-173.3-176.88.1108.9D171 E183 M253D171-R251 VanDerWaalsContact CG-NH1 3.33Å; D171-R251 IonicContact OD1-CZ 3.23Å; D171-R251 IonicContact OD1-NH1 2.73Å; D171-R251 PolarHBondContact OD1-NH1 2.78Å; D171-R251 VanDerWaalsContact OD1-NH1 3.13Å; D171-R251 IonicContact OD1-NH2 2.82Å; D171-R251 IonicContact OD2-CZ 3.81Å; D171-R251 VanDerWaalsContact OD2-CZ 3.23Å; D171-R251 IonicContact OD2-NH1 3.47Å; D171-R251 PolarHBondContact OD2-NH1 3.2Å; D171-R251 IonicContact OD2-NH2 3.08Å; D171-R251 PolarHBondContact OD2-NH2 3.28Å; E183-R251 IonicContact OE2-NH1 3.13Å; R251-M253 PolarHBondContact O-N 3.06Å
252S65.6Low66.6Low55 Ų5573.1 Ų73.139%0.38542%0.419SS..  trans-65.4127.6175.2-178.40000110.4N250 V254N250-S252 PolarHBondContact O-N 3.48Å; S252-V254 PolarHBondContact OG-N 3.48Å; S252-V254 PolarHBondContact OG-O 3.3Å
253M64.3Low65.8Low74 Ų7475.9 Ų75.937%0.36543%0.431SS..SBendtrans-85.3-16169.4-60.8-148.3-29.300113R167 T169 K175 R251R167-M253 HydrophobicContact CB-CE 3.61Å; R167-M253 HydrophobicContact CB-SD 3.81Å; R167-M253 HydrophobicContact CG-CE 3.47Å; R167-M253 VanDerWaalsContact CG-CE 3.47Å; R167-M253 HydrophobicContact CG-SD 4.23Å; T169-M253 HydrophobicContact CG2-SD 4.26Å; K175-M253 HydrophobicContact CD-CG 4.34Å; K175-M253 HydrophobicContact CD-SD 4.23Å; R251-M253 PolarHBondContact O-N 3.06Å
254V57.9Low65Low68 Ų6872.3 Ų72.341%0.41241%0.414SS..SBendtrans-146.4116.1-179.4-176.10000107.7S252 I256S252-V254 PolarHBondContact OG-N 3.48Å; S252-V254 PolarHBondContact OG-O 3.3Å; V254-I256 PolarHBondContact O-N 3.22Å
255R52.4Low64.1Low200 Ų20069.1 Ų69.176%0.75540%0.404SS*.  trans-73.7116168.8-67.2-168.1178.2-172.7-2.8108.7G258R255-G258 WeakPolarHBondContact CD-OXT 3.44Å
256I50Low62.9Low47 Ų4774.2 Ų74.224%0.24143%0.434CS..SBendtrans-90.2121.9170.4-57.8173.3000105.8V67 M97 F99 V254V67-I256 HydrophobicContact CB-CG2 4.43Å; V67-I256 HydrophobicContact CG2-CD1 4.31Å; V67-I256 HydrophobicContact CG2-CG2 3.97Å; M97-I256 HydrophobicContact CE-CD1 4.49Å; F99-I256 HydrophobicContact CD2-CD1 4.09Å; F99-I256 HydrophobicContact CE2-CD1 3.65Å; V254-I256 PolarHBondContact O-N 3.22Å
257G45.6Very low61.9Low28 Ų2877.7 Ų77.729%0.28945%0.448SS..  trans83.124.6179.300000117.1L38L38-G257 CarbonylContact O-C 3.54Å; L38-G257 VanDerWaalsContact O-CA 3.3Å; L38-G257 WeakPolarHBondContact O-CA 3.28Å
258G37Very low60.6Low76 Ų7676.1 Ų76.178%0.78443%0.428SS*.  trans870172.300000115.1R255R255-G258 WeakPolarHBondContact CD-OXT 3.44Å

Retrieved 258 of 258 residues in 378.6 ms (Link to these results)

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