A0A3Q0KTL9_SCHMA Loading...

Putative mk-ser/thr/tyr interacting protein (Mk-styx)

AlphaFold DB , UniProt , Accession A0A3Q0KTL9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 299 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
1M62.2Low90.5Very high233 Ų23371.3 Ų71.3100%1.14835%0.353SS*.  01280-152.9168.9-151.400106.3K3M1-K3 PolarHBondContact O-N 2.95Å
2A68.8Low91.1Very high33 Ų3365.3 Ų65.327%0.27332%0.323SS..  trans-58.5130.8-179.700000109.5L4 K96A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 HydrophobicContact CB-CD1 4.16Å; A2-L4 HydrophobicContact CB-CD2 4.07Å; A2-L4 HydrophobicContact CB-CG 3.83Å; A2-L4 PolarHBondContact O-N 3.45Å; A2-L4 VanDerWaalsContact O-N 3.08Å; A2-K96 HydrophobicContact CB-CG 4.21Å
3K89Confident91.7Very high129 Ų12960.3 Ų60.356%0.56130%0.298SS*.  trans-81.184.1178.6-85.6-175.7-178.6-174.40108.8M1 H99 L106 V107M1-K3 PolarHBondContact O-N 2.95Å; K3-H99 WeakPolarHBondContact CB-NE2 3.33Å; K3-H99 PolarHBondContact N-CD2 3.05Å; K3-H99 PolarHBondContact N-NE2 3.05Å; K3-L106 HydrophobicContact CB-CD2 3.44Å; K3-L106 VanDerWaalsContact CB-CD2 3.44Å; K3-L106 HydrophobicContact CD-CD2 4.12Å; K3-L106 HydrophobicContact CG-CD2 3.89Å; K3-L106 VanDerWaalsContact O-CA 3.31Å; K3-L106 WeakPolarHBondContact O-CA 3.27Å; K3-V107 PolarHBondContact O-N 3.29Å
4L94.8Very high92.1Very high27 Ų2756.6 Ų56.614%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-113.3148.2-178.7-49.5-177.8000110.4A2 L85 A95 K96 H99 V107A2-L4 VanDerWaalsContact C-N 3.34Å; A2-L4 HydrophobicContact CB-CD1 4.16Å; A2-L4 HydrophobicContact CB-CD2 4.07Å; A2-L4 HydrophobicContact CB-CG 3.83Å; A2-L4 PolarHBondContact O-N 3.45Å; A2-L4 VanDerWaalsContact O-N 3.08Å; L4-L85 HydrophobicContact CB-CD1 4.46Å; L4-L85 HydrophobicContact CB-CD2 3.94Å; L4-A95 HydrophobicContact CD1-CB 4.47Å; L4-A95 HydrophobicContact CD2-CB 3.89Å; L4-K96 HydrophobicContact CD1-CG 3.88Å; L4-H99 HydrophobicContact CD2-CB 4.34Å; L4-V107 WeakPolarHBondContact CA-O 3.49Å; L4-V107 HydrophobicContact CD2-CB 3.88Å; L4-V107 HydrophobicContact CD2-CG2 4.47Å
5E95.7Very high92.5Very high59 Ų5954.1 Ų54.128%0.27627%0.268SS..EExtended strand (participates in β ladder)trans-137.8151172.367.7-175.6164.300111I7 L106 V107 K108 I109E5-I7 HydrophobicContact CG-CG2 4.37Å; E5-L106 HydrophobicContact CB-CD1 4.28Å; E5-L106 HydrophobicContact CG-CB 4.09Å; E5-L106 HydrophobicContact CG-CD1 4.27Å; E5-L106 VanDerWaalsContact OE2-CD1 3.28Å; E5-L106 WeakPolarHBondContact OE2-CD1 3.19Å; E5-V107 PolarHBondContact N-O 2.84Å; E5-K108 HydrophobicContact CG-CB 4.29Å; E5-K108 HydrophobicContact CG-CG 3.61Å; E5-K108 CarbonylContact O-C 3.5Å; E5-K108 WeakPolarHBondContact O-CA 3.37Å; E5-K108 WeakPolarHBondContact OE1-CE 3.49Å; E5-K108 WeakPolarHBondContact OE1-CG 3.14Å; E5-K108 IonicContact OE1-NZ 2.6Å; E5-K108 PolarHBondContact OE1-NZ 3.29Å; E5-I109 PolarHBondContact O-N 2.6Å
6I96.9Very high92.8Very high51 Ų5150.7 Ų50.726%0.26225%0.251SS..EExtended strand (participates in β ladder)trans-94.6133171-66.9-79000107.5L85 I109 E111I6-L85 HydrophobicContact CD1-CD2 3.95Å; I6-L85 HydrophobicContact CD1-CG 4.35Å; I6-L85 HydrophobicContact CG1-CD2 3.8Å; I6-L85 HydrophobicContact CG1-CG 3.83Å; I6-I109 CarbonylContact C-O 3.32Å; I6-I109 WeakPolarHBondContact CA-O 3.33Å; I6-I109 HydrophobicContact CD1-CB 3.82Å; I6-I109 HydrophobicContact CD1-CG2 3.78Å; I6-E111 HydrophobicContact CG2-CB 3.66Å; I6-E111 HydrophobicContact CG2-CG 4.13Å
7I97.6Very high93Very high2 Ų247.8 Ų47.81%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-114.6145.7173.663.4166.4000110.8E5 E11 L12 I76 K108 I109 L110 E111E5-I7 HydrophobicContact CG-CG2 4.37Å; I7-E11 HydrophobicContact CB-CB 4.3Å; I7-L12 HydrophobicContact CD1-CB 4.1Å; I7-I76 HydrophobicContact CD1-CD1 3.93Å; I7-I76 HydrophobicContact CD1-CG1 4.2Å; I7-I76 HydrophobicContact CD1-CG2 3.81Å; I7-K108 HydrophobicContact CD1-CB 4.11Å; I7-K108 HydrophobicContact CD1-CD 4.3Å; I7-K108 HydrophobicContact CG1-CB 4.24Å; I7-K108 HydrophobicContact CG2-CB 3.89Å; I7-K108 HydrophobicContact CG2-CD 3.83Å; I7-K108 HydrophobicContact CG2-CG 3.68Å; I7-I109 PolarHBondContact N-O 2.65Å; I7-L110 HydrophobicContact CG1-CD1 4.47Å; I7-E111 WeakPolarHBondContact O-CB 3.49Å; I7-E111 PolarHBondContact O-N 2.84Å
8K97.5Very high93.2Very high123 Ų12345.3 Ų45.354%0.53523%0.225SC..  trans-74.9156.6176.4-65.6-177.5177.1-178.50111.6S10 E11 L12K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 2.88Å; K8-E11 HydrophobicContact CB-CG 4.28Å; K8-E11 WeakPolarHBondContact CB-OE1 3.45Å; K8-E11 PolarHBondContact N-OE1 3Å; K8-E11 WeakPolarHBondContact O-CB 3.27Å; K8-E11 PolarHBondContact O-N 2.83Å; K8-L12 PolarHBondContact O-N 3.33Å
9P98.1Very high93.2Very high9 Ų945.8 Ų45.86%0.05823%0.225CC..Hα-helixtrans-54-37.9173.2-29.436.7000114.6E11 L12 Y13 T116 F117 L120 Y121P9-E11 VanDerWaalsContact C-N 3.31Å; P9-E11 PolarHBondContact O-N 3.3Å; P9-L12 PolarHBondContact O-N 2.93Å; P9-Y13 WeakPolarHBondContact O-CB 3.28Å; P9-Y13 PolarHBondContact O-N 2.96Å; P9-T116 HydrophobicContact CG-CG2 3.95Å; P9-F117 HydrophobicContact CB-CD2 3.99Å; P9-L120 HydrophobicContact CB-CD1 3.69Å; P9-L120 HydrophobicContact CG-CD1 3.85Å; P9-Y121 HydrophobicContact CB-CE2 3.79Å; P9-Y121 WeakPolarHBondContact O-CE2 3.33Å
10S97.2Very high93Very high28 Ų2848 Ų4820%0.19623%0.234CC..Hα-helixtrans-66.3-30.2176.656.70000113.2K8 N14 Y121 E145K8-S10 VanDerWaalsContact C-N 3.27Å; K8-S10 PolarHBondContact O-N 2.88Å; S10-N14 PolarHBondContact O-N 2.9Å; S10-N14 VanDerWaalsContact O-N 3.07Å; S10-N14 PolarHBondContact O-ND2 3.38Å; S10-Y121 VanDerWaalsContact CA-OH 3.3Å; S10-Y121 WeakPolarHBondContact CA-OH 3.42Å; S10-Y121 PolarHBondContact N-OH 2.94Å; S10-E145 VanDerWaalsContact CB-OE2 3.29Å; S10-E145 WeakPolarHBondContact CB-OE2 3.39Å
11E97.5Very high92.8Very high90 Ų9051 Ų5142%0.42126%0.255SS..Hα-helixtrans-69.3-47.1174.9-64.9176-102.100110.4I7 K8 P9 Y13 N14 I15I7-E11 HydrophobicContact CB-CB 4.3Å; K8-E11 HydrophobicContact CB-CG 4.28Å; K8-E11 WeakPolarHBondContact CB-OE1 3.45Å; K8-E11 PolarHBondContact N-OE1 3Å; K8-E11 WeakPolarHBondContact O-CB 3.27Å; K8-E11 PolarHBondContact O-N 2.83Å; P9-E11 VanDerWaalsContact C-N 3.31Å; P9-E11 PolarHBondContact O-N 3.3Å; E11-Y13 VanDerWaalsContact C-N 3.32Å; E11-Y13 PolarHBondContact O-N 3.11Å; E11-N14 PolarHBondContact O-N 2.88Å; E11-I15 VanDerWaalsContact O-CG1 3.29Å; E11-I15 WeakPolarHBondContact O-CG1 3.16Å; E11-I15 PolarHBondContact O-N 3.27Å
12L98.3Very high94.2Very high0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-60.9-41.9174176.160.9000111.6I7 K8 P9 N14 I15 L16 L33 I47 I76 L110 F117I7-L12 HydrophobicContact CD1-CB 4.1Å; K8-L12 PolarHBondContact O-N 3.33Å; P9-L12 PolarHBondContact O-N 2.93Å; L12-N14 VanDerWaalsContact C-N 3.31Å; L12-N14 PolarHBondContact O-N 3.11Å; L12-I15 PolarHBondContact O-N 3.04Å; L12-L16 HydrophobicContact CD1-CD1 3.88Å; L12-L16 HydrophobicContact CD1-CD2 4.29Å; L12-L16 HydrophobicContact CD1-CG 3.83Å; L12-L16 HydrophobicContact CG-CD1 3.97Å; L12-L16 HydrophobicContact CG-CG 4.32Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3Å; L12-L33 HydrophobicContact CD1-CD1 4.14Å; L12-L33 HydrophobicContact CD1-CD2 4.34Å; L12-L33 HydrophobicContact CD2-CD1 4.22Å; L12-L33 HydrophobicContact CD2-CD2 4.44Å; L12-I47 HydrophobicContact CD2-CD1 3.98Å; L12-I76 HydrophobicContact CD1-CD1 3.59Å; L12-I76 HydrophobicContact CD1-CG2 4.45Å; L12-L110 HydrophobicContact CB-CD1 3.9Å; L12-L110 HydrophobicContact CD2-CD1 3.72Å; L12-L110 HydrophobicContact CD2-CD2 3.52Å; L12-L110 HydrophobicContact CD2-CG 4.17Å; L12-L110 HydrophobicContact CG-CD1 4.47Å; L12-F117 HydrophobicContact CB-CD2 4.41Å; L12-F117 HydrophobicContact CB-CE2 3.96Å; L12-F117 HydrophobicContact CD2-CD2 3.82Å; L12-F117 HydrophobicContact CD2-CE2 3.67Å; L12-F117 HydrophobicContact CD2-CZ 4.25Å; L12-F117 HydrophobicContact CG-CD2 4.34Å; L12-F117 HydrophobicContact CG-CE2 3.75Å; L12-F117 HydrophobicContact CG-CZ 4.32Å
13Y98.2Very high95.4Very high0 Ų042.8 Ų42.80%021%0.208CC..Hα-helixtrans-53.5-49.9175.5174.4-83.6000111.1P9 E11 L16 N17 Y121 Y123 M124 Y142 P143 E145 M168P9-Y13 WeakPolarHBondContact O-CB 3.28Å; P9-Y13 PolarHBondContact O-N 2.96Å; E11-Y13 VanDerWaalsContact C-N 3.32Å; E11-Y13 PolarHBondContact O-N 3.11Å; Y13-L16 PolarHBondContact O-N 3.12Å; Y13-N17 WeakPolarHBondContact O-CB 3.46Å; Y13-N17 PolarHBondContact O-N 2.94Å; Y13-N17 PolarHBondContact O-ND2 3.19Å; Y13-Y121 AromaticContact CD2-CD1 3.55Å; Y13-Y121 HydrophobicContact CD2-CD1 3.55Å; Y13-Y121 HydrophobicContact CD2-CD2 4.28Å; Y13-Y121 AromaticContact CD2-CE1 3.67Å; Y13-Y121 HydrophobicContact CD2-CE1 3.67Å; Y13-Y121 HydrophobicContact CD2-CE2 4.38Å; Y13-Y121 AromaticContact CD2-CG 3.87Å; Y13-Y121 HydrophobicContact CD2-CG 3.87Å; Y13-Y121 HydrophobicContact CE2-CD1 4.01Å; Y13-Y121 HydrophobicContact CE2-CE1 4.26Å; Y13-Y121 HydrophobicContact CG-CD1 4.38Å; Y13-Y121 HydrophobicContact CG-CE1 4.08Å; Y13-Y121 HydrophobicContact CG-CE2 4.49Å; Y13-Y123 HydrophobicContact CE2-CE2 4.06Å; Y13-M124 HydrophobicContact CD2-CE 4.29Å; Y13-M124 HydrophobicContact CD2-SD 3.26Å; Y13-M124 WeakPolarHBondContact CD2-SD 3.49Å; Y13-M124 HydrophobicContact CE2-SD 3.59Å; Y13-M124 VanDerWaalsContact CE2-SD 3.59Å; Y13-M124 HydrophobicContact CG-SD 4.29Å; Y13-Y142 WeakPolarHBondContact OH-CB 3.38Å; Y13-P143 WeakPolarHBondContact CE1-O 3.49Å; Y13-P143 PolarHBondContact OH-O 3.19Å; Y13-E145 HydrophobicContact CD1-CB 3.72Å; Y13-E145 HydrophobicContact CE1-CB 3.63Å; Y13-M168 WeakPolarHBondContact OH-CE 3.23Å
14N97.8Very high95.8Very high8 Ų838 Ų384%0.04319%0.187CC..Hα-helixtrans-70.5-34.9-179.2-76.7-33.2000112.8S10 E11 L12 N17 Q18 L144 E145S10-N14 PolarHBondContact O-N 2.9Å; S10-N14 VanDerWaalsContact O-N 3.07Å; S10-N14 PolarHBondContact O-ND2 3.38Å; E11-N14 PolarHBondContact O-N 2.88Å; L12-N14 VanDerWaalsContact C-N 3.31Å; L12-N14 PolarHBondContact O-N 3.11Å; N14-N17 PolarHBondContact O-N 3.35Å; N14-Q18 WeakPolarHBondContact O-CG 3.39Å; N14-Q18 PolarHBondContact O-N 3.07Å; N14-Q18 PolarHBondContact O-NE2 2.82Å; N14-L144 HydrophobicContact CB-CD2 4.44Å; N14-E145 PolarHBondContact ND2-O 3.19Å; N14-E145 PolarHBondContact OD1-N 2.93Å
15I97.6Very high95.8Very high19 Ų1937.2 Ų37.210%0.09718%0.183CC..Hα-helixtrans-58.7-48.1173.6-72.1166.8000110.2E11 L12 N17 Y30 C31 N74 I76E11-I15 VanDerWaalsContact O-CG1 3.29Å; E11-I15 WeakPolarHBondContact O-CG1 3.16Å; E11-I15 PolarHBondContact O-N 3.27Å; L12-I15 PolarHBondContact O-N 3.04Å; I15-N17 PolarHBondContact O-N 3.2Å; I15-Y30 WeakPolarHBondContact CA-OH 3.37Å; I15-Y30 HydrophobicContact CG2-CE1 3.95Å; I15-Y30 VanDerWaalsContact O-CE1 3.31Å; I15-Y30 WeakPolarHBondContact O-CE1 3.3Å; I15-Y30 PolarHBondContact O-OH 3.37Å; I15-C31 HydrophobicContact CG2-CB 4.13Å; I15-N74 HydrophobicContact CG2-CB 4.24Å; I15-I76 HydrophobicContact CD1-CD1 3.88Å; I15-I76 HydrophobicContact CG2-CD1 4.19Å
16L97.6Very high95.8Very high0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-69-17.5-177.7-65.6175.8000113.9L12 Y13 I25 L33 I47 I48 F117 M124L12-L16 HydrophobicContact CD1-CD1 3.88Å; L12-L16 HydrophobicContact CD1-CD2 4.29Å; L12-L16 HydrophobicContact CD1-CG 3.83Å; L12-L16 HydrophobicContact CG-CD1 3.97Å; L12-L16 HydrophobicContact CG-CG 4.32Å; L12-L16 WeakPolarHBondContact O-CG 3.35Å; L12-L16 PolarHBondContact O-N 3Å; Y13-L16 PolarHBondContact O-N 3.12Å; L16-I25 HydrophobicContact CD2-CG2 4.19Å; L16-L33 HydrophobicContact CD1-CD2 4.4Å; L16-L33 HydrophobicContact CD2-CD2 4.48Å; L16-I47 HydrophobicContact CD1-CG2 3.95Å; L16-I48 HydrophobicContact CD1-CD1 4.31Å; L16-I48 HydrophobicContact CD1-CG1 4.14Å; L16-F117 HydrophobicContact CD1-CZ 4.45Å; L16-M124 HydrophobicContact CB-CE 3.86Å; L16-M124 HydrophobicContact CD1-CE 3.71Å; L16-M124 HydrophobicContact CG-CE 4.45Å
17N97Very high95.6Very high2 Ų236.6 Ų36.61%0.01119%0.185CC..THydrogen-bonded Turntrans-111.49.5-174.2-70.1-57.6000114Y13 N14 I15 Y142 L144Y13-N17 WeakPolarHBondContact O-CB 3.46Å; Y13-N17 PolarHBondContact O-N 2.94Å; Y13-N17 PolarHBondContact O-ND2 3.19Å; N14-N17 PolarHBondContact O-N 3.35Å; I15-N17 PolarHBondContact O-N 3.2Å; N17-Y142 WeakPolarHBondContact CB-O 2.93Å; N17-Y142 PolarHBondContact OD1-N 3.03Å; N17-L144 HydrophobicContact CB-CD2 4.18Å
18Q96Very high95.4Very high3 Ų341.6 Ų41.61%0.01422%0.217CC..  trans-63.9136.4174.6-68.4-55.4-54.600112.1N14 F24 Y30 I261 I263N14-Q18 WeakPolarHBondContact O-CG 3.39Å; N14-Q18 PolarHBondContact O-N 3.07Å; N14-Q18 PolarHBondContact O-NE2 2.82Å; Q18-F24 HydrophobicContact CB-CB 3.8Å; Q18-F24 HydrophobicContact CB-CD1 4.3Å; Q18-F24 HydrophobicContact CB-CD2 3.52Å; Q18-F24 HydrophobicContact CB-CE2 4.19Å; Q18-F24 HydrophobicContact CB-CG 3.59Å; Q18-F24 HydrophobicContact CG-CD2 4.06Å; Q18-F24 PolarHBondContact O-N 3.42Å; Q18-Y30 WeakPolarHBondContact CG-OH 3.34Å; Q18-I261 PolarHBondContact NE2-O 2.88Å; Q18-I263 HydrophobicContact CG-CD1 4.05Å; Q18-I263 HydrophobicContact CG-CG1 4.41Å
19K92.7Very high95.1Very high55 Ų5538.1 Ų38.124%0.23921%0.208CC..BIsolated β-bridgetrans-149.9138.1177-176.5175.8178.9174.50110.9H22 V23 T141 I231K19-H22 WeakPolarHBondContact CA-O 3.4Å; K19-V23 HydrophobicContact CD-CG2 4.29Å; K19-V23 HydrophobicContact CG-CG2 4.38Å; K19-T141 HydrophobicContact CB-CG2 4.48Å; K19-I231 WeakPolarHBondContact O-CD1 3.36Å
20F89.8Confident95Very high89 Ų8938.1 Ų38.139%0.3921%0.207SC..SBendtrans-120.7-102.6165.3-176.1-122.2000108.9H22 F24 F232 P264F20-H22 PolarHBondContact N-O 3.33Å; F20-F24 HydrophobicContact CB-CE1 3.7Å; F20-F24 HydrophobicContact CB-CZ 4.26Å; F20-F232 AromaticContact CD2-CD1 3.64Å; F20-F232 HydrophobicContact CD2-CD1 3.64Å; F20-F232 AromaticContact CD2-CE1 3.51Å; F20-F232 HydrophobicContact CD2-CE1 3.51Å; F20-F232 HydrophobicContact CD2-CG 4.48Å; F20-F232 HydrophobicContact CD2-CZ 4.25Å; F20-F232 AromaticContact CE2-CD1 3.69Å; F20-F232 HydrophobicContact CE2-CD1 3.69Å; F20-F232 AromaticContact CE2-CE1 3.3Å; F20-F232 HydrophobicContact CE2-CE1 3.3Å; F20-F232 HydrophobicContact CE2-CE2 4.2Å; F20-F232 HydrophobicContact CE2-CG 4.27Å; F20-F232 AromaticContact CE2-CZ 3.58Å; F20-F232 HydrophobicContact CE2-CZ 3.58Å; F20-F232 HydrophobicContact CZ-CE1 4.45Å; F20-F232 HydrophobicContact CZ-CZ 4.44Å; F20-P264 HydrophobicContact CB-CB 4.03Å; F20-P264 HydrophobicContact CB-CG 4.3Å; F20-P264 HydrophobicContact CD2-CB 3.66Å; F20-P264 HydrophobicContact CD2-CG 4.36Å; F20-P264 HydrophobicContact CE2-CB 4.4Å; F20-P264 HydrophobicContact CG-CB 4.06Å
21T87.8Confident94.9Very high112 Ų11237.7 Ų37.769%0.68720%0.204SC*.SBendtrans-79.3-35.216751.60000111.8
22H91.9Very high94.8Very high89 Ų8934.2 Ų34.241%0.41219%0.19SC..SBendtrans-122.3164174.956.8-78.6000109.5K19 F20K19-H22 WeakPolarHBondContact CA-O 3.4Å; F20-H22 PolarHBondContact N-O 3.33Å
23V94.8Very high94.7Very high3 Ų334.5 Ų34.52%0.01819%0.192CC..BIsolated β-bridgetrans-77.8130.1174.2-174.10000108.5K19 I25 S26 F139 T141K19-V23 HydrophobicContact CD-CG2 4.29Å; K19-V23 HydrophobicContact CG-CG2 4.38Å; V23-I25 VanDerWaalsContact C-N 3.29Å; V23-I25 HydrophobicContact CG1-CD1 4.37Å; V23-I25 HydrophobicContact CG1-CG1 3.58Å; V23-I25 PolarHBondContact O-N 3.29Å; V23-S26 WeakPolarHBondContact O-CB 3.34Å; V23-S26 PolarHBondContact O-N 3.28Å; V23-S26 PolarHBondContact O-OG 2.9Å; V23-F139 HydrophobicContact CG1-CB 4.36Å; V23-F139 HydrophobicContact CG1-CD1 4.43Å; V23-F139 HydrophobicContact CG2-CB 4.43Å; V23-F139 WeakPolarHBondContact CG2-O 3.35Å; V23-T141 HydrophobicContact CB-CG2 4.41Å; V23-T141 HydrophobicContact CG1-CG2 3.53Å; V23-T141 HydrophobicContact CG2-CG2 4Å
24F96.2Very high94.6Very high28 Ų2834.8 Ų34.812%0.12319%0.193CC..G310 helixtrans-67.3-30.9-170.4-74.416.2000112.8Q18 F20 S26 D27 Y30 I263 P264Q18-F24 HydrophobicContact CB-CB 3.8Å; Q18-F24 HydrophobicContact CB-CD1 4.3Å; Q18-F24 HydrophobicContact CB-CD2 3.52Å; Q18-F24 HydrophobicContact CB-CE2 4.19Å; Q18-F24 HydrophobicContact CB-CG 3.59Å; Q18-F24 HydrophobicContact CG-CD2 4.06Å; Q18-F24 PolarHBondContact O-N 3.42Å; F20-F24 HydrophobicContact CB-CE1 3.7Å; F20-F24 HydrophobicContact CB-CZ 4.26Å; F24-S26 PolarHBondContact O-N 3.34Å; F24-D27 WeakPolarHBondContact O-CB 3.44Å; F24-D27 PolarHBondContact O-N 3.11Å; F24-Y30 VanDerWaalsContact C-CD1 3.47Å; F24-Y30 HydrophobicContact CB-CD1 3.47Å; F24-Y30 VanDerWaalsContact CB-CD1 3.47Å; F24-Y30 HydrophobicContact CB-CD2 4.04Å; F24-Y30 HydrophobicContact CB-CE1 3.55Å; F24-Y30 HydrophobicContact CB-CE2 4.14Å; F24-Y30 HydrophobicContact CB-CG 3.72Å; F24-Y30 AromaticContact CD2-CD2 3.92Å; F24-Y30 HydrophobicContact CD2-CD2 3.92Å; F24-Y30 HydrophobicContact CD2-CE1 4.44Å; F24-Y30 AromaticContact CD2-CE2 3.63Å; F24-Y30 HydrophobicContact CD2-CE2 3.63Å; F24-Y30 HydrophobicContact CD2-CG 4.46Å; F24-Y30 AromaticContact CD2-CZ 3.91Å; F24-Y30 HydrophobicContact CG-CD2 4.46Å; F24-Y30 HydrophobicContact CG-CE2 4.41Å; F24-Y30 WeakPolarHBondContact O-CB 3.2Å; F24-Y30 WeakPolarHBondContact O-CD1 3.43Å; F24-I263 HydrophobicContact CD2-CD1 4.32Å; F24-I263 HydrophobicContact CE2-CB 3.95Å; F24-I263 HydrophobicContact CE2-CD1 4.17Å; F24-I263 HydrophobicContact CE2-CG2 3.95Å; F24-P264 HydrophobicContact CZ-CB 4.44Å; F24-P264 HydrophobicContact CZ-CG 4.4Å
25I95.7Very high94.5Very high12 Ų1234.4 Ų34.46%0.06219%0.191CC..G310 helixtrans-66-6.7176.161.7165.4000113.9L16 V23 D27 Y30 C31 T49 L136 F139L16-I25 HydrophobicContact CD2-CG2 4.19Å; V23-I25 VanDerWaalsContact C-N 3.29Å; V23-I25 HydrophobicContact CG1-CD1 4.37Å; V23-I25 HydrophobicContact CG1-CG1 3.58Å; V23-I25 PolarHBondContact O-N 3.29Å; I25-D27 VanDerWaalsContact C-N 3.3Å; I25-Y30 HydrophobicContact CG2-CD1 4.19Å; I25-Y30 HydrophobicContact CG2-CE1 4.17Å; I25-C31 HydrophobicContact CG2-CB 4.47Å; I25-T49 HydrophobicContact CD1-CG2 3.84Å; I25-L136 HydrophobicContact CD1-CD2 4.47Å; I25-F139 HydrophobicContact CD1-CB 4.4Å; I25-F139 HydrophobicContact CD1-CD1 3.69Å; I25-F139 HydrophobicContact CD1-CD2 4.07Å; I25-F139 HydrophobicContact CD1-CE1 3.93Å; I25-F139 HydrophobicContact CD1-CE2 4.3Å; I25-F139 HydrophobicContact CD1-CG 3.78Å; I25-F139 HydrophobicContact CD1-CZ 4.25Å
26S95.1Very high94.4Very high27 Ų2733.5 Ų33.519%0.18919%0.186CC..G310 helixtrans-76.5-18.5168.176.60000113.1V23 F24 P28V23-S26 WeakPolarHBondContact O-CB 3.34Å; V23-S26 PolarHBondContact O-N 3.28Å; V23-S26 PolarHBondContact O-OG 2.9Å; F24-S26 PolarHBondContact O-N 3.34Å; S26-P28 WeakPolarHBondContact O-CD 3.28Å
27D94Very high94.4Very high70 Ų7034.5 Ų34.537%0.37419%0.19SC..SBendtrans-83.7116.5172.3-176.5-12.7000109.9F24 I25 C29 Y30F24-D27 WeakPolarHBondContact O-CB 3.44Å; F24-D27 PolarHBondContact O-N 3.11Å; I25-D27 VanDerWaalsContact C-N 3.3Å; D27-C29 PolarHBondContact O-N 2.83Å; D27-C29 VanDerWaalsContact O-N 3.15Å; D27-C29 WeakPolarHBondContact OD1-CB 3.46Å; D27-C29 PolarHBondContact OD1-N 3.48Å; D27-Y30 WeakPolarHBondContact O-CB 3.48Å; D27-Y30 PolarHBondContact O-N 2.88Å
28P91.5Very high94.2Very high107 Ų10737.2 Ų37.270%0.69521%0.206SC*.THydrogen-bonded Turntrans-58.2-25.3177.9-23.634.6000114.5S26S26-P28 WeakPolarHBondContact O-CD 3.28Å
29C92.8Very high94.1Very high49 Ų4939.7 Ų39.733%0.33123%0.227SC..THydrogen-bonded Turntrans-83.8-14.9179-65.50000112.6D27 I72 W73D27-C29 PolarHBondContact O-N 2.83Å; D27-C29 VanDerWaalsContact O-N 3.15Å; D27-C29 WeakPolarHBondContact OD1-CB 3.46Å; D27-C29 PolarHBondContact OD1-N 3.48Å; C29-I72 CarbonylContact O-C 3.49Å; C29-I72 WeakPolarHBondContact O-CA 3.31Å; C29-W73 PolarHBondContact O-N 2.76Å
30Y95Very high94.2Very high9 Ų941.6 Ų41.64%0.03524%0.24CC..THydrogen-bonded Turntrans-76.2-51.9-176.5173.2-108.9000112.8I15 Q18 F24 I25 D27 W73 N74 I263I15-Y30 WeakPolarHBondContact CA-OH 3.37Å; I15-Y30 HydrophobicContact CG2-CE1 3.95Å; I15-Y30 VanDerWaalsContact O-CE1 3.31Å; I15-Y30 WeakPolarHBondContact O-CE1 3.3Å; I15-Y30 PolarHBondContact O-OH 3.37Å; Q18-Y30 WeakPolarHBondContact CG-OH 3.34Å; F24-Y30 VanDerWaalsContact C-CD1 3.47Å; F24-Y30 HydrophobicContact CB-CD1 3.47Å; F24-Y30 VanDerWaalsContact CB-CD1 3.47Å; F24-Y30 HydrophobicContact CB-CD2 4.04Å; F24-Y30 HydrophobicContact CB-CE1 3.55Å; F24-Y30 HydrophobicContact CB-CE2 4.14Å; F24-Y30 HydrophobicContact CB-CG 3.72Å; F24-Y30 AromaticContact CD2-CD2 3.92Å; F24-Y30 HydrophobicContact CD2-CD2 3.92Å; F24-Y30 HydrophobicContact CD2-CE1 4.44Å; F24-Y30 AromaticContact CD2-CE2 3.63Å; F24-Y30 HydrophobicContact CD2-CE2 3.63Å; F24-Y30 HydrophobicContact CD2-CG 4.46Å; F24-Y30 AromaticContact CD2-CZ 3.91Å; F24-Y30 HydrophobicContact CG-CD2 4.46Å; F24-Y30 HydrophobicContact CG-CE2 4.41Å; F24-Y30 WeakPolarHBondContact O-CB 3.2Å; F24-Y30 WeakPolarHBondContact O-CD1 3.43Å; I25-Y30 HydrophobicContact CG2-CD1 4.19Å; I25-Y30 HydrophobicContact CG2-CE1 4.17Å; D27-Y30 WeakPolarHBondContact O-CB 3.48Å; D27-Y30 PolarHBondContact O-N 2.88Å; Y30-W73 HydrophobicContact CD2-CE3 4.09Å; Y30-W73 HydrophobicContact CE2-CE3 4.32Å; Y30-N74 VanDerWaalsContact O-CB 3.31Å; Y30-N74 WeakPolarHBondContact O-CB 3.16Å; Y30-N74 PolarHBondContact O-N 3.34Å; Y30-N74 PolarHBondContact O-ND2 3.29Å; Y30-N74 VanDerWaalsContact O-ND2 3.12Å; Y30-I263 HydrophobicContact CE2-CD1 3.8Å
31C95.1Very high94.5Very high20 Ų2040 Ų4014%0.13524%0.236CC..EExtended strand (participates in β ladder)trans-149.2130.3-173.9-179.70000112.2I15 I25 N74I15-C31 HydrophobicContact CG2-CB 4.13Å; I25-C31 HydrophobicContact CG2-CB 4.47Å; C31-N74 WeakPolarHBondContact CA-O 3.47Å; C31-N74 HydrophobicContact CB-CB 4.15Å
32A94.9Very high94.9Very high17 Ų1735.2 Ų35.214%0.1421%0.205CC..EExtended strand (participates in β ladder)trans-124.2120.2164.900000109.8F34 I72 N74 L75 I76A32-F34 HydrophobicContact CB-CE2 3.84Å; A32-F34 HydrophobicContact CB-CZ 4.26Å; A32-I72 HydrophobicContact CB-CD1 3.76Å; A32-I72 HydrophobicContact CB-CG2 4.05Å; A32-N74 PolarHBondContact N-O 3.22Å; A32-L75 HydrophobicContact CB-CD1 4.07Å; A32-I76 PolarHBondContact O-N 3.4Å
33L96.5Very high95.1Very high5 Ų535.5 Ų35.53%0.02621%0.21CC..EExtended strand (participates in β ladder)trans-108.2120.5-179.1-179.162.8000109.8L12 L16 I47 A50 K51 I76 Y78L12-L33 HydrophobicContact CD1-CD1 4.14Å; L12-L33 HydrophobicContact CD1-CD2 4.34Å; L12-L33 HydrophobicContact CD2-CD1 4.22Å; L12-L33 HydrophobicContact CD2-CD2 4.44Å; L16-L33 HydrophobicContact CD1-CD2 4.4Å; L16-L33 HydrophobicContact CD2-CD2 4.48Å; L33-I47 HydrophobicContact CD2-CB 4.01Å; L33-I47 HydrophobicContact CD2-CG2 3.69Å; L33-A50 HydrophobicContact CB-CB 4.47Å; L33-A50 HydrophobicContact CD2-CB 3.83Å; L33-A50 HydrophobicContact CG-CB 3.85Å; L33-A50 CarbonylContact O-C 3.6Å; L33-A50 VanDerWaalsContact O-CA 3.32Å; L33-A50 WeakPolarHBondContact O-CA 3.13Å; L33-K51 PolarHBondContact O-N 2.88Å; L33-I76 CarbonylContact C-O 3.59Å; L33-I76 WeakPolarHBondContact CA-O 3.16Å; L33-I76 HydrophobicContact CD1-CB 3.78Å; L33-I76 HydrophobicContact CD1-CG2 3.59Å; L33-Y78 HydrophobicContact CD1-CD1 3.72Å; L33-Y78 HydrophobicContact CD1-CE1 3.92Å; L33-Y78 HydrophobicContact CD2-CE1 4.21Å; L33-Y78 HydrophobicContact CG-CD1 4.22Å; L33-Y78 HydrophobicContact CG-CE1 3.9Å
34F96.1Very high95.1Very high6 Ų641.7 Ų41.73%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-113.4124.7-177.9-71.4-66.2000112.2A32 K51 L53 P64 A67 L75 I76 V77 Y78 L98A32-F34 HydrophobicContact CB-CE2 3.84Å; A32-F34 HydrophobicContact CB-CZ 4.26Å; F34-K51 WeakPolarHBondContact CA-O 3.37Å; F34-K51 HydrophobicContact CD1-CB 4.07Å; F34-K51 HydrophobicContact CE1-CB 4.04Å; F34-K51 HydrophobicContact CE1-CD 4.46Å; F34-L53 HydrophobicContact CB-CB 4.21Å; F34-L53 HydrophobicContact CD1-CB 4.36Å; F34-L53 HydrophobicContact CD1-CD1 4.26Å; F34-P64 HydrophobicContact CD1-CG 4.25Å; F34-P64 HydrophobicContact CE1-CB 4.08Å; F34-P64 HydrophobicContact CE1-CG 3.47Å; F34-P64 VanDerWaalsContact CE1-CG 3.47Å; F34-P64 HydrophobicContact CE2-CG 4.29Å; F34-P64 HydrophobicContact CZ-CB 4.05Å; F34-P64 HydrophobicContact CZ-CG 3.5Å; F34-A67 HydrophobicContact CZ-CB 4.38Å; F34-L75 HydrophobicContact CD2-CD1 3.82Å; F34-L75 HydrophobicContact CE2-CD1 3.56Å; F34-I76 PolarHBondContact N-O 3.37Å; F34-V77 HydrophobicContact CB-CG2 4.33Å; F34-V77 WeakPolarHBondContact O-CA 3.08Å; F34-Y78 WeakPolarHBondContact O-CD1 3.29Å; F34-Y78 PolarHBondContact O-N 2.79Å; F34-L98 HydrophobicContact CD2-CD1 3.89Å; F34-L98 HydrophobicContact CE2-CD1 4.44Å
35D96.8Very high95.2Very high0 Ų041.4 Ų41.40%024%0.238CC..EExtended strand (participates in β ladder)trans-90.5112.7170.4-170.6-20.4000109.5R37 Y42 A50 K51 L53 Y78D35-R37 WeakPolarHBondContact OD1-CB 3.44Å; D35-R37 VanDerWaalsContact OD1-CG 3.22Å; D35-R37 WeakPolarHBondContact OD1-CG 3.31Å; D35-R37 PolarHBondContact OD1-N 3.06Å; D35-R37 IonicContact OD1-NE 2.89Å; D35-R37 PolarHBondContact OD1-NE 2.91Å; D35-R37 VanDerWaalsContact OD1-NE 3.08Å; D35-R37 IonicContact OD2-CZ 2.61Å; D35-R37 VanDerWaalsContact OD2-CZ 3.3Å; D35-R37 IonicContact OD2-NE 3.18Å; D35-R37 PolarHBondContact OD2-NE 3.47Å; D35-R37 VanDerWaalsContact OD2-NE 3.1Å; D35-R37 IonicContact OD2-NH2 2.91Å; D35-R37 PolarHBondContact OD2-NH2 3.25Å; D35-Y42 HydrophobicContact CB-CD2 3.77Å; D35-Y42 HydrophobicContact CB-CE2 4.28Å; D35-Y42 WeakPolarHBondContact OD2-CD2 3.49Å; D35-A50 HydrophobicContact CB-CB 4.43Å; D35-K51 PolarHBondContact N-O 3.14Å; D35-L53 PolarHBondContact O-N 2.95Å; D35-Y78 HydrophobicContact CB-CE1 3.87Å; D35-Y78 HydrophobicContact CB-CE2 3.98Å; D35-Y78 WeakPolarHBondContact CB-OH 3.25Å; D35-Y78 VanDerWaalsContact CG-CE2 3.47Å; D35-Y78 PolarHBondContact OD2-OH 2.81Å; D35-Y78 VanDerWaalsContact OD2-OH 3.14Å
36S96.1Very high95.3Very high0 Ų040.9 Ų40.90%024%0.236CC..  trans-91.32.7179.766.20000113.6R55 Y78 D79S36-R55 PolarHBondContact O-NE 3Å; S36-R55 PolarHBondContact O-NH2 2.97Å; S36-Y78 WeakPolarHBondContact CB-O 3.46Å; S36-Y78 PolarHBondContact N-O 3.1Å; S36-Y78 PolarHBondContact OG-O 3.18Å; S36-D79 WeakPolarHBondContact OG-CB 3.42Å
37R95.6Very high95.5Very high22 Ų2239.6 Ų39.68%0.08323%0.227CC..SBendtrans-66.4178.7174.6-60.3177.6-62.1152.12.1111.7D35 D41 S45 R55 D79 F114D35-R37 WeakPolarHBondContact OD1-CB 3.44Å; D35-R37 VanDerWaalsContact OD1-CG 3.22Å; D35-R37 WeakPolarHBondContact OD1-CG 3.31Å; D35-R37 PolarHBondContact OD1-N 3.06Å; D35-R37 IonicContact OD1-NE 2.89Å; D35-R37 PolarHBondContact OD1-NE 2.91Å; D35-R37 VanDerWaalsContact OD1-NE 3.08Å; D35-R37 IonicContact OD2-CZ 2.61Å; D35-R37 VanDerWaalsContact OD2-CZ 3.3Å; D35-R37 IonicContact OD2-NE 3.18Å; D35-R37 PolarHBondContact OD2-NE 3.47Å; D35-R37 VanDerWaalsContact OD2-NE 3.1Å; D35-R37 IonicContact OD2-NH2 2.91Å; D35-R37 PolarHBondContact OD2-NH2 3.25Å; R37-D41 HydrophobicContact CB-CB 4.02Å; R37-S45 PolarHBondContact NH2-O 3.19Å; R37-R55 PolarHBondContact O-NE 3.45Å; R37-D79 HydrophobicContact CG-CB 4.44Å; R37-F114 VanDerWaalsContact CZ-CG 3.41Å; R37-F114 VanDerWaalsContact NH1-CG 3.27Å
38T94.2Very high95.6Very high58 Ų5836.9 Ų36.936%0.35621%0.212SC..  trans-64.2156176.773.30000110.7D40 D41 Y42T38-D40 PolarHBondContact O-N 3.22Å; T38-D41 PolarHBondContact O-N 2.83Å; T38-D41 PolarHBondContact OG1-N 3.05Å; T38-D41 VanDerWaalsContact OG1-N 3.14Å; T38-D41 PolarHBondContact OG1-OD2 3.39Å; T38-Y42 PolarHBondContact O-N 3.33Å
39A93.8Very high95.8Very high55 Ų5533 Ų3346%0.45519%0.186SC..Hα-helixtrans-60.6-32.4175.700000111.9N43A39-N43 VanDerWaalsContact O-CB 3.28Å; A39-N43 WeakPolarHBondContact O-CB 3.03Å; A39-N43 PolarHBondContact O-N 3.11Å; A39-N43 PolarHBondContact O-ND2 2.84Å; A39-N43 VanDerWaalsContact O-ND2 3.07Å
40D94.6Very high96Very high95 Ų9530.8 Ų30.851%0.50817%0.172SC..Hα-helixtrans-64.9-46.8175.7-174.254.2000111.5T38 Y42 N43 K44T38-D40 PolarHBondContact O-N 3.22Å; D40-Y42 PolarHBondContact O-N 3.36Å; D40-N43 PolarHBondContact O-N 3.43Å; D40-K44 WeakPolarHBondContact O-CG 3.28Å; D40-K44 PolarHBondContact O-N 3.24Å; D40-K44 WeakPolarHBondContact OD2-CE 3.41Å; D40-K44 IonicContact OD2-NZ 2.62Å; D40-K44 PolarHBondContact OD2-NZ 3.32Å
41D95.8Very high95.9Very high57 Ų5735.4 Ų35.431%0.30519%0.192SC..Hα-helixtrans-64.3-41.9177.2-62.5-42.4000112.3R37 T38 K44 S45R37-D41 HydrophobicContact CB-CB 4.02Å; T38-D41 PolarHBondContact O-N 2.83Å; T38-D41 PolarHBondContact OG1-N 3.05Å; T38-D41 VanDerWaalsContact OG1-N 3.14Å; T38-D41 PolarHBondContact OG1-OD2 3.39Å; D41-K44 PolarHBondContact O-N 3.42Å; D41-K44 IonicContact OD1-NZ 2.65Å; D41-S45 PolarHBondContact O-N 3.05Å
42Y96.4Very high95.9Very high10 Ų1036.3 Ų36.34%0.03920%0.195CC..Hα-helixtrans-61.2-45.2176173.9-96.7000112.1D35 T38 D40 K44 S45 H46 A50 N52 T129D35-Y42 HydrophobicContact CB-CD2 3.77Å; D35-Y42 HydrophobicContact CB-CE2 4.28Å; D35-Y42 WeakPolarHBondContact OD2-CD2 3.49Å; T38-Y42 PolarHBondContact O-N 3.33Å; D40-Y42 PolarHBondContact O-N 3.36Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 2.85Å; Y42-S45 CarbonylContact O-C 3.59Å; Y42-S45 PolarHBondContact O-N 2.73Å; Y42-H46 HydrophobicContact CD2-CB 3.5Å; Y42-H46 AromaticContact CD2-CG 3.6Å; Y42-H46 AromaticContact CD2-ND1 3.74Å; Y42-H46 HydrophobicContact CE2-CB 3.65Å; Y42-H46 AromaticContact CE2-CD2 3.58Å; Y42-H46 AromaticContact CE2-CE1 3.9Å; Y42-H46 AromaticContact CE2-CG 3.3Å; Y42-H46 AromaticContact CE2-ND1 3.51Å; Y42-H46 AromaticContact CE2-NE2 3.97Å; Y42-H46 HydrophobicContact CG-CB 4.41Å; Y42-H46 AromaticContact CZ-CD2 3.97Å; Y42-H46 AromaticContact CZ-CE1 3.68Å; Y42-H46 AromaticContact CZ-CG 3.9Å; Y42-H46 AromaticContact CZ-ND1 3.7Å; Y42-H46 AromaticContact CZ-NE2 3.86Å; Y42-H46 PolarHBondContact O-ND1 3.13Å; Y42-A50 WeakPolarHBondContact CE2-O 3.09Å; Y42-A50 PolarHBondContact OH-O 2.66Å; Y42-N52 HydrophobicContact CD1-CB 3.67Å; Y42-N52 HydrophobicContact CD2-CB 3.86Å; Y42-N52 HydrophobicContact CE1-CB 3.82Å; Y42-N52 HydrophobicContact CE2-CB 4.03Å; Y42-N52 HydrophobicContact CG-CB 3.68Å; Y42-T129 HydrophobicContact CE1-CG2 3.81Å; Y42-T129 WeakPolarHBondContact OH-CA 3.16Å; Y42-T129 PolarHBondContact OH-O 3.15Å
43N95.8Very high95.9Very high96 Ų9635.6 Ų35.651%0.51319%0.189SC..Hα-helixtrans-68.6-28.5-179.3-72.3-23.9000112.4A39 D40A39-N43 VanDerWaalsContact O-CB 3.28Å; A39-N43 WeakPolarHBondContact O-CB 3.03Å; A39-N43 PolarHBondContact O-N 3.11Å; A39-N43 PolarHBondContact O-ND2 2.84Å; A39-N43 VanDerWaalsContact O-ND2 3.07Å; D40-N43 PolarHBondContact O-N 3.43Å
44K96.2Very high95.6Very high132 Ų13241.7 Ų41.757%0.57422%0.215SC*.Hα-helixtrans-67.8-46.6172.6-73.9169.1-169.9159.60111.6D40 D41 Y42D40-K44 WeakPolarHBondContact O-CG 3.28Å; D40-K44 PolarHBondContact O-N 3.24Å; D40-K44 WeakPolarHBondContact OD2-CE 3.41Å; D40-K44 IonicContact OD2-NZ 2.62Å; D40-K44 PolarHBondContact OD2-NZ 3.32Å; D41-K44 PolarHBondContact O-N 3.42Å; D41-K44 IonicContact OD1-NZ 2.65Å; Y42-K44 VanDerWaalsContact C-N 3.3Å; Y42-K44 PolarHBondContact O-N 2.85Å
45S97.4Very high95.3Very high23 Ų2345.1 Ų45.116%0.16123%0.228CC..  trans-175.6146.1174.4-176.80000110.3R37 D41 Y42 S126R37-S45 PolarHBondContact NH2-O 3.19Å; D41-S45 PolarHBondContact O-N 3.05Å; Y42-S45 CarbonylContact O-C 3.59Å; Y42-S45 PolarHBondContact O-N 2.73Å; S45-S126 CarbonylContact C-O 3.5Å; S45-S126 WeakPolarHBondContact CA-O 3.28Å; S45-S126 PolarHBondContact OG-O 3.23Å
46H98.2Very high94.9Very high0 Ų049.3 Ų49.30%025%0.25CS..EExtended strand (participates in β ladder)trans-141.1169.8175.751.2-86.2000110.6Y42 Y78 F114 R125 S126 K128Y42-H46 HydrophobicContact CD2-CB 3.5Å; Y42-H46 AromaticContact CD2-CG 3.6Å; Y42-H46 AromaticContact CD2-ND1 3.74Å; Y42-H46 HydrophobicContact CE2-CB 3.65Å; Y42-H46 AromaticContact CE2-CD2 3.58Å; Y42-H46 AromaticContact CE2-CE1 3.9Å; Y42-H46 AromaticContact CE2-CG 3.3Å; Y42-H46 AromaticContact CE2-ND1 3.51Å; Y42-H46 AromaticContact CE2-NE2 3.97Å; Y42-H46 HydrophobicContact CG-CB 4.41Å; Y42-H46 AromaticContact CZ-CD2 3.97Å; Y42-H46 AromaticContact CZ-CE1 3.68Å; Y42-H46 AromaticContact CZ-CG 3.9Å; Y42-H46 AromaticContact CZ-ND1 3.7Å; Y42-H46 AromaticContact CZ-NE2 3.86Å; Y42-H46 PolarHBondContact O-ND1 3.13Å; H46-Y78 WeakPolarHBondContact CB-OH 3.37Å; H46-F114 VanDerWaalsContact CA-CE2 3.47Å; H46-R125 CarbonylContact O-C 3.57Å; H46-R125 WeakPolarHBondContact O-CA 3.42Å; H46-S126 PolarHBondContact N-O 3.25Å; H46-S126 PolarHBondContact ND1-O 2.95Å; H46-S126 PolarHBondContact O-N 3.16Å; H46-K128 PolarHBondContact NE2-O 2.87Å
47I98.1Very high94.1Very high0 Ų057 Ų570%029%0.291CS..EExtended strand (participates in β ladder)trans-66.2137.8171.3-59.1174.8000108.3L12 L16 L33 T49 A50 Y78 L110 F114 F117L12-I47 HydrophobicContact CD2-CD1 3.98Å; L16-I47 HydrophobicContact CD1-CG2 3.95Å; L33-I47 HydrophobicContact CD2-CB 4.01Å; L33-I47 HydrophobicContact CD2-CG2 3.69Å; I47-T49 PolarHBondContact O-N 2.85Å; I47-A50 WeakPolarHBondContact O-CB 3.32Å; I47-A50 PolarHBondContact O-N 3.38Å; I47-Y78 HydrophobicContact CB-CE1 4.26Å; I47-Y78 HydrophobicContact CD1-CD1 4.12Å; I47-Y78 HydrophobicContact CD1-CD2 4.24Å; I47-Y78 HydrophobicContact CD1-CE1 3.91Å; I47-Y78 HydrophobicContact CD1-CE2 4.06Å; I47-Y78 HydrophobicContact CD1-CG 4.26Å; I47-Y78 HydrophobicContact CG1-CE1 4.25Å; I47-Y78 HydrophobicContact CG1-CE2 4.19Å; I47-Y78 PolarHBondContact N-OH 3.41Å; I47-L110 HydrophobicContact CD1-CD2 3.5Å; I47-F114 HydrophobicContact CG1-CD2 4.11Å; I47-F117 HydrophobicContact CB-CD1 4.49Å; I47-F117 HydrophobicContact CB-CE1 4.43Å; I47-F117 HydrophobicContact CD1-CB 3.94Å; I47-F117 HydrophobicContact CD1-CD1 3.53Å; I47-F117 HydrophobicContact CD1-CD2 4.34Å; I47-F117 HydrophobicContact CD1-CE1 4.11Å; I47-F117 HydrophobicContact CD1-CG 3.66Å; I47-F117 HydrophobicContact CG1-CD1 3.64Å; I47-F117 HydrophobicContact CG1-CE1 4.05Å; I47-F117 HydrophobicContact CG1-CG 4.29Å; I47-F117 HydrophobicContact CG2-CD1 4.12Å; I47-F117 HydrophobicContact CG2-CE1 3.62Å; I47-F117 HydrophobicContact CG2-CZ 4.1Å
48I97Very high93.1Very high13 Ų1359 Ų597%0.06732%0.319CS..THydrogen-bonded Turntrans-44.3141.8177.650.7155.4000112.3L16 A50 M124 F139L16-I48 HydrophobicContact CD1-CD1 4.31Å; L16-I48 HydrophobicContact CD1-CG1 4.14Å; I48-A50 PolarHBondContact O-N 2.92Å; I48-M124 HydrophobicContact CD1-CB 4.5Å; I48-M124 HydrophobicContact CD1-CE 3.49Å; I48-M124 VanDerWaalsContact CD1-CE 3.49Å; I48-M124 HydrophobicContact CD1-CG 4.48Å; I48-M124 HydrophobicContact CG1-CB 4.18Å; I48-M124 HydrophobicContact CG1-CE 4.02Å; I48-M124 WeakPolarHBondContact CG2-O 3.2Å; I48-M124 PolarHBondContact N-O 3.22Å; I48-F139 HydrophobicContact CD1-CE1 4.17Å; I48-F139 HydrophobicContact CD1-CZ 3.57Å
49T95.2Very high92.2Very high25 Ų2560.2 Ų60.215%0.15333%0.329CS..THydrogen-bonded Turntrans61.2-1.8-177.370.90000117.2I25 I47 Y131 L136 F139I25-T49 HydrophobicContact CD1-CG2 3.84Å; I47-T49 PolarHBondContact O-N 2.85Å; T49-Y131 HydrophobicContact CG2-CD2 4.32Å; T49-Y131 HydrophobicContact CG2-CE1 4.38Å; T49-Y131 HydrophobicContact CG2-CE2 4.12Å; T49-L136 HydrophobicContact CG2-CD2 3.96Å; T49-F139 HydrophobicContact CG2-CE2 4.19Å
50A96.4Very high91.8Very high3 Ų360.2 Ų60.23%0.02533%0.325CS..PPolyproline II helixtrans-66138.117600000111.6L33 D35 Y42 I47 I48 Y78L33-A50 HydrophobicContact CB-CB 4.47Å; L33-A50 HydrophobicContact CD2-CB 3.83Å; L33-A50 HydrophobicContact CG-CB 3.85Å; L33-A50 CarbonylContact O-C 3.6Å; L33-A50 VanDerWaalsContact O-CA 3.32Å; L33-A50 WeakPolarHBondContact O-CA 3.13Å; D35-A50 HydrophobicContact CB-CB 4.43Å; Y42-A50 WeakPolarHBondContact CE2-O 3.09Å; Y42-A50 PolarHBondContact OH-O 2.66Å; I47-A50 WeakPolarHBondContact O-CB 3.32Å; I47-A50 PolarHBondContact O-N 3.38Å; I48-A50 PolarHBondContact O-N 2.92Å; A50-Y78 HydrophobicContact CB-CE1 3.77Å; A50-Y78 VanDerWaalsContact CB-OH 3.31Å; A50-Y78 WeakPolarHBondContact CB-OH 3.24Å
51K94.7Very high91.7Very high106 Ų10656.1 Ų56.146%0.46130%0.303SS..EExtended strand (participates in β ladder)trans-99.8137.2170.6-63.8-177.2-179.5-176.90109.4L33 F34 D35 L53L33-K51 PolarHBondContact O-N 2.88Å; F34-K51 WeakPolarHBondContact CA-O 3.37Å; F34-K51 HydrophobicContact CD1-CB 4.07Å; F34-K51 HydrophobicContact CE1-CB 4.04Å; F34-K51 HydrophobicContact CE1-CD 4.46Å; D35-K51 PolarHBondContact N-O 3.14Å; K51-L53 PolarHBondContact O-N 3.34Å
52N94.5Very high91.4Very high39 Ų3960.3 Ų60.321%0.20932%0.315CS..EExtended strand (participates in β ladder)trans-65.2122.4171.5-177.7-107.8000110.4Y42 K54Y42-N52 HydrophobicContact CD1-CB 3.67Å; Y42-N52 HydrophobicContact CD2-CB 3.86Å; Y42-N52 HydrophobicContact CE1-CB 3.82Å; Y42-N52 HydrophobicContact CE2-CB 4.03Å; Y42-N52 HydrophobicContact CG-CB 3.68Å; N52-K54 PolarHBondContact O-N 2.91Å
53L94.2Very high90.9Very high2 Ų262.9 Ų62.91%0.0133%0.329CS..  trans-81.5101.9170.8-173.266.4000108.7F34 D35 K51 R55 F61 R62 P64 A94F34-L53 HydrophobicContact CB-CB 4.21Å; F34-L53 HydrophobicContact CD1-CB 4.36Å; F34-L53 HydrophobicContact CD1-CD1 4.26Å; D35-L53 PolarHBondContact O-N 2.95Å; K51-L53 PolarHBondContact O-N 3.34Å; L53-R55 PolarHBondContact O-N 3.32Å; L53-R55 VanDerWaalsContact O-N 3.15Å; L53-F61 HydrophobicContact CB-CD1 4.48Å; L53-F61 HydrophobicContact CD2-CB 3.91Å; L53-F61 HydrophobicContact CD2-CD1 3.83Å; L53-F61 HydrophobicContact CD2-CG 3.87Å; L53-F61 HydrophobicContact CG-CB 4.02Å; L53-F61 HydrophobicContact CG-CD1 3.96Å; L53-F61 HydrophobicContact CG-CG 4.25Å; L53-R62 WeakPolarHBondContact CD1-O 3.36Å; L53-P64 HydrophobicContact CD1-CG 3.7Å; L53-A94 HydrophobicContact CD2-CB 3.43Å; L53-A94 VanDerWaalsContact CD2-CB 3.43Å
54K91.7Very high90.3Very high133 Ų13359.8 Ų59.858%0.57831%0.313SS*.  trans-56.6120.9-172.8-68.7-176.5179.6178.80111.2N52 R62N52-K54 PolarHBondContact O-N 2.91Å; K54-R62 HydrophobicContact CB-CB 4.28Å; K54-R62 PolarHBondContact O-N 2.99Å
55R89.7Confident89.2Confident78 Ų7864 Ų6429%0.29433%0.327SS..BIsolated β-bridgetrans-72.1138.6170-68.7176.1178.5-113.211.1110.3S36 R37 L53 F61 D90S36-R55 PolarHBondContact O-NE 3Å; S36-R55 PolarHBondContact O-NH2 2.97Å; R37-R55 PolarHBondContact O-NE 3.45Å; L53-R55 PolarHBondContact O-N 3.32Å; L53-R55 VanDerWaalsContact O-N 3.15Å; R55-F61 HydrophobicContact CG-CD1 3.8Å; R55-F61 HydrophobicContact CG-CE1 3.58Å; R55-D90 VanDerWaalsContact CZ-CG 3.47Å; R55-D90 IonicContact CZ-OD1 3.41Å; R55-D90 IonicContact CZ-OD2 3.4Å; R55-D90 VanDerWaalsContact NH1-CG 3.26Å; R55-D90 IonicContact NH1-OD1 2.81Å; R55-D90 PolarHBondContact NH1-OD1 3.07Å; R55-D90 IonicContact NH1-OD2 3.25Å; R55-D90 PolarHBondContact NH1-OD2 2.98Å; R55-D90 IonicContact NH2-OD1 3.24Å; R55-D90 PolarHBondContact NH2-OD1 3.28Å; R55-D90 IonicContact NH2-OD2 2.68Å; R55-D90 PolarHBondContact NH2-OD2 3.1Å
56L86.7Confident87.9Confident89 Ų8970.8 Ų70.847%0.46636%0.356SS..  trans-90.9-176.6163.9-64.4174.6000108.4G58 S60 R62L56-G58 PolarHBondContact O-N 3.39Å; L56-S60 WeakPolarHBondContact CB-OG 3.44Å; L56-S60 PolarHBondContact N-O 3.3Å; L56-R62 HydrophobicContact CD1-CB 4.44Å; L56-R62 HydrophobicContact CD2-CB 4.06Å; L56-R62 HydrophobicContact CG-CB 4.1Å
57N79Confident86.5Confident160 Ų16072 Ų7286%0.85637%0.367SS*.SBendtrans-56.3130.3176.9-65.9-14.6000110.6S60N57-S60 PolarHBondContact O-OG 3.05Å
58G75.3Confident85.8Confident64 Ų6478.3 Ų78.366%0.6640%0.396SS*.THydrogen-bonded Turntrans74.8-132.6-178.300000113.9L56L56-G58 PolarHBondContact O-N 3.39Å
59C75.9Confident85.4Confident85 Ų8578 Ų7857%0.57439%0.394SS*.THydrogen-bonded Turntrans-97.413-169.8-72.20000114.1R93C59-R93 PolarHBondContact O-NH1 3.48Å
60S86Confident85.1Confident54 Ų5479.6 Ų79.638%0.37840%0.402SS..  trans-102.5154.7-174.859.50000112.1L56 N57L56-S60 WeakPolarHBondContact CB-OG 3.44Å; L56-S60 PolarHBondContact N-O 3.3Å; N57-S60 PolarHBondContact O-OG 3.05Å
61F91.8Very high84.8Confident10 Ų1082.2 Ų82.24%0.04442%0.42CS..BIsolated β-bridgetrans-119.9154.1-179.5-57.7-88.5000110.8L53 R55 D90 R93 A94 L97L53-F61 HydrophobicContact CB-CD1 4.48Å; L53-F61 HydrophobicContact CD2-CB 3.91Å; L53-F61 HydrophobicContact CD2-CD1 3.83Å; L53-F61 HydrophobicContact CD2-CG 3.87Å; L53-F61 HydrophobicContact CG-CB 4.02Å; L53-F61 HydrophobicContact CG-CD1 3.96Å; L53-F61 HydrophobicContact CG-CG 4.25Å; R55-F61 HydrophobicContact CG-CD1 3.8Å; R55-F61 HydrophobicContact CG-CE1 3.58Å; F61-D90 HydrophobicContact CZ-CB 3.9Å; F61-R93 HydrophobicContact CE2-CB 3.99Å; F61-A94 HydrophobicContact CD2-CB 3.84Å; F61-A94 HydrophobicContact CE1-CB 4.49Å; F61-A94 HydrophobicContact CE2-CB 3.79Å; F61-A94 HydrophobicContact CG-CB 4.24Å; F61-A94 HydrophobicContact CZ-CB 4.14Å; F61-L97 HydrophobicContact CB-CD2 3.61Å; F61-L97 VanDerWaalsContact O-CD2 3.23Å; F61-L97 WeakPolarHBondContact O-CD2 3.45Å
62R89.2Confident84.8Confident144 Ų14477.5 Ų77.554%0.54340%0.399SS..PPolyproline II helixtrans-91131.2172.4-176.2176.4176.5171.6-0.2109.4L53 K54 L56L53-R62 WeakPolarHBondContact CD1-O 3.36Å; K54-R62 HydrophobicContact CB-CB 4.28Å; K54-R62 PolarHBondContact O-N 2.99Å; L56-R62 HydrophobicContact CD1-CB 4.44Å; L56-R62 HydrophobicContact CD2-CB 4.06Å; L56-R62 HydrophobicContact CG-CB 4.1Å
63I84.9Confident84.7Confident65 Ų6582 Ų8233%0.33341%0.414SS..PPolyproline II helixtrans-64129.4174-57.9155.6000108.9Y65 L69 L97 N101I63-Y65 PolarHBondContact O-N 3.31Å; I63-L69 HydrophobicContact CG2-CD1 4.31Å; I63-L97 HydrophobicContact CG1-CD1 4.34Å; I63-L97 HydrophobicContact CG1-CD2 4.17Å; I63-L97 HydrophobicContact CG1-CG 4.2Å; I63-N101 HydrophobicContact CD1-CB 3.7Å; I63-N101 WeakPolarHBondContact CD1-OD1 3.09Å; I63-N101 HydrophobicContact CG1-CB 4.13Å
64P83.9Confident84.8Confident30 Ų3082.5 Ų82.520%0.19542%0.416CS..PPolyproline II helixtrans-62.5119.7175-18.530.6000110.2F34 L53 E66 A67 L98F34-P64 HydrophobicContact CD1-CG 4.25Å; F34-P64 HydrophobicContact CE1-CB 4.08Å; F34-P64 HydrophobicContact CE1-CG 3.47Å; F34-P64 VanDerWaalsContact CE1-CG 3.47Å; F34-P64 HydrophobicContact CE2-CG 4.29Å; F34-P64 HydrophobicContact CZ-CB 4.05Å; F34-P64 HydrophobicContact CZ-CG 3.5Å; L53-P64 HydrophobicContact CD1-CG 3.7Å; P64-E66 PolarHBondContact O-N 3.44Å; P64-A67 HydrophobicContact CB-CB 3.92Å; P64-A67 PolarHBondContact O-N 3.05Å; P64-L98 HydrophobicContact CG-CD2 4.5Å
65Y74.2Confident85Confident222 Ų22276.2 Ų76.287%0.87139%0.389SS*.THydrogen-bonded Turntrans-64.4-30.4-176.6-175.8-101000113.1I63I63-Y65 PolarHBondContact O-N 3.31Å
66E69.4Low85.4Confident164 Ų16472.5 Ų72.577%0.76638%0.375SS*.THydrogen-bonded Turntrans-88-5.3-175.1-63169.5-172.100113.4P64P64-E66 PolarHBondContact O-N 3.44Å
67A69.1Low85.9Confident26 Ų2668.2 Ų68.222%0.21535%0.353CS..  trans-93.2109.4-173.900000110.2F34 P64 L69 I72F34-A67 HydrophobicContact CZ-CB 4.38Å; P64-A67 HydrophobicContact CB-CB 3.92Å; P64-A67 PolarHBondContact O-N 3.05Å; A67-L69 HydrophobicContact CB-CD2 3.57Å; A67-L69 HydrophobicContact CB-CG 4.17Å; A67-L69 PolarHBondContact O-N 2.92Å; A67-I72 HydrophobicContact CB-CD1 4.29Å
68E83.3Confident86.8Confident132 Ų13260.6 Ų60.662%0.61731%0.312SS*.  trans-71.472.8165-65.8-177.8-176.900109D70 C71 I72E68-D70 PolarHBondContact O-N 3.04Å; E68-C71 HydrophobicContact CB-CB 4.4Å; E68-C71 PolarHBondContact O-N 3.22Å; E68-I72 WeakPolarHBondContact O-CG1 3.34Å
69L88.2Confident87.8Confident6 Ų658 Ų583%0.03128%0.282CS..THydrogen-bonded Turntrans-55.5-26.7-170.7-62180000113.3I63 A67 C71 I72 L75 L98I63-L69 HydrophobicContact CG2-CD1 4.31Å; A67-L69 HydrophobicContact CB-CD2 3.57Å; A67-L69 HydrophobicContact CB-CG 4.17Å; A67-L69 PolarHBondContact O-N 2.92Å; L69-C71 VanDerWaalsContact C-N 3.31Å; L69-C71 PolarHBondContact O-N 2.83Å; L69-I72 HydrophobicContact CD2-CD1 4.13Å; L69-L75 HydrophobicContact CD2-CD1 4.08Å; L69-L75 HydrophobicContact CD2-CD2 3.93Å; L69-L98 HydrophobicContact CD1-CD2 3.97Å; L69-L98 HydrophobicContact CD2-CD2 4.13Å
70D88.5Confident88.8Confident60 Ų6054.7 Ų54.732%0.32126%0.263SS..THydrogen-bonded Turntrans-74.8-20.2-17967.7-36.8000113.9E68 G102 R104E68-D70 PolarHBondContact O-N 3.04Å; D70-G102 VanDerWaalsContact CA-O 3.23Å; D70-G102 WeakPolarHBondContact CA-O 3.36Å; D70-G102 VanDerWaalsContact CB-O 3.23Å; D70-G102 WeakPolarHBondContact CB-O 3.35Å; D70-G102 PolarHBondContact N-O 3.25Å; D70-R104 HydrophobicContact CB-CG 3.9Å; D70-R104 IonicContact OD2-CZ 2.69Å; D70-R104 IonicContact OD2-NE 2.7Å; D70-R104 IonicContact OD2-NH2 3.85Å; D70-R104 PolarHBondContact OD2-NH2 3.05Å
71C90.6Very high89.3Confident58 Ų5856.6 Ų56.639%0.39227%0.269SS..THydrogen-bonded Turntrans-98.4-11.7179.5-65.20000113.5E68 L69 W73E68-C71 HydrophobicContact CB-CB 4.4Å; E68-C71 PolarHBondContact O-N 3.22Å; L69-C71 VanDerWaalsContact C-N 3.31Å; L69-C71 PolarHBondContact O-N 2.83Å; C71-W73 PolarHBondContact O-N 3.11Å
72I93.5Very high89.6Confident7 Ų756.5 Ų56.54%0.03627%0.269CS..  trans-78.4120.3-174.8-61.5168000110.6C29 A32 A67 E68 L69 L75 N105C29-I72 CarbonylContact O-C 3.49Å; C29-I72 WeakPolarHBondContact O-CA 3.31Å; A32-I72 HydrophobicContact CB-CD1 3.76Å; A32-I72 HydrophobicContact CB-CG2 4.05Å; A67-I72 HydrophobicContact CB-CD1 4.29Å; E68-I72 WeakPolarHBondContact O-CG1 3.34Å; L69-I72 HydrophobicContact CD2-CD1 4.13Å; I72-L75 HydrophobicContact CD1-CD1 4.36Å; I72-L75 HydrophobicContact CG2-CB 4.01Å; I72-N105 PolarHBondContact O-ND2 3.39Å
73W93.6Very high89.8Confident134 Ų13452.7 Ų52.751%0.50827%0.265SS..SBendtrans-72.8-46.6179-168.66.8000112.2C29 Y30 C71 I263C29-W73 PolarHBondContact O-N 2.76Å; Y30-W73 HydrophobicContact CD2-CE3 4.09Å; Y30-W73 HydrophobicContact CE2-CE3 4.32Å; C71-W73 PolarHBondContact O-N 3.11Å; W73-I263 HydrophobicContact CH2-CD1 4.33Å; W73-I263 HydrophobicContact CH2-CG2 4.27Å; W73-I263 HydrophobicContact CZ3-CD1 4.35Å
74N95.8Very high90.2Very high12 Ų1252 Ų526%0.06427%0.266CS..EExtended strand (participates in β ladder)trans-113.287.1177.2-62.5-70.3000111I15 Y30 C31 A32 I76 K108I15-N74 HydrophobicContact CG2-CB 4.24Å; Y30-N74 VanDerWaalsContact O-CB 3.31Å; Y30-N74 WeakPolarHBondContact O-CB 3.16Å; Y30-N74 PolarHBondContact O-N 3.34Å; Y30-N74 PolarHBondContact O-ND2 3.29Å; Y30-N74 VanDerWaalsContact O-ND2 3.12Å; C31-N74 WeakPolarHBondContact CA-O 3.47Å; C31-N74 HydrophobicContact CB-CB 4.15Å; A32-N74 PolarHBondContact N-O 3.22Å; N74-I76 HydrophobicContact CB-CD1 4.19Å; N74-I76 HydrophobicContact CB-CG1 4.33Å; N74-K108 WeakPolarHBondContact OD1-CE 3.33Å; N74-K108 PolarHBondContact OD1-NZ 2.49Å
75L96.1Very high90.6Very high0 Ų053.8 Ų53.80%027%0.274CS..EExtended strand (participates in β ladder)trans-91.8105172.6-174.855.6000109.4A32 F34 L69 I72 L98 V107 K108A32-L75 HydrophobicContact CB-CD1 4.07Å; F34-L75 HydrophobicContact CD2-CD1 3.82Å; F34-L75 HydrophobicContact CE2-CD1 3.56Å; L69-L75 HydrophobicContact CD2-CD1 4.08Å; L69-L75 HydrophobicContact CD2-CD2 3.93Å; I72-L75 HydrophobicContact CD1-CD1 4.36Å; I72-L75 HydrophobicContact CG2-CB 4.01Å; L75-L98 HydrophobicContact CD1-CD1 4.17Å; L75-L98 HydrophobicContact CD2-CB 4.1Å; L75-L98 HydrophobicContact CD2-CD1 4.44Å; L75-L98 HydrophobicContact CG-CD1 4.31Å; L75-V107 HydrophobicContact CD2-CG2 4.06Å; L75-V107 HydrophobicContact CG-CG1 4.25Å; L75-K108 PolarHBondContact O-N 2.92Å
76I97.4Very high91.4Very high0 Ų050.6 Ų50.60%027%0.272CS..EExtended strand (participates in β ladder)trans-119135.4-169.3-51.8171.9000110.1I7 L12 I15 A32 L33 F34 N74 K108I7-I76 HydrophobicContact CD1-CD1 3.93Å; I7-I76 HydrophobicContact CD1-CG1 4.2Å; I7-I76 HydrophobicContact CD1-CG2 3.81Å; L12-I76 HydrophobicContact CD1-CD1 3.59Å; L12-I76 HydrophobicContact CD1-CG2 4.45Å; I15-I76 HydrophobicContact CD1-CD1 3.88Å; I15-I76 HydrophobicContact CG2-CD1 4.19Å; A32-I76 PolarHBondContact O-N 3.4Å; L33-I76 CarbonylContact C-O 3.59Å; L33-I76 WeakPolarHBondContact CA-O 3.16Å; L33-I76 HydrophobicContact CD1-CB 3.78Å; L33-I76 HydrophobicContact CD1-CG2 3.59Å; F34-I76 PolarHBondContact N-O 3.37Å; N74-I76 HydrophobicContact CB-CD1 4.19Å; N74-I76 HydrophobicContact CB-CG1 4.33Å; I76-K108 CarbonylContact C-O 3.52Å; I76-K108 VanDerWaalsContact CA-O 3.31Å; I76-K108 WeakPolarHBondContact CA-O 3.38Å; I76-K108 HydrophobicContact CB-CB 4.32Å; I76-K108 HydrophobicContact CD1-CD 4.42Å; I76-K108 HydrophobicContact CG1-CB 3.89Å; I76-K108 HydrophobicContact CG1-CD 3.92Å; I76-K108 HydrophobicContact CG2-CB 4.34Å
77V97Very high92.1Very high0 Ų044.7 Ų44.70%025%0.248CC..EExtended strand (participates in β ladder)trans-126.2144.1175.7-1710000110.4F34 A91 A94 A95 L98 V107 K108 I109 L110F34-V77 HydrophobicContact CB-CG2 4.33Å; F34-V77 WeakPolarHBondContact O-CA 3.08Å; V77-A91 HydrophobicContact CG1-CB 4.36Å; V77-A94 HydrophobicContact CG1-CB 3.71Å; V77-A95 HydrophobicContact CG2-CB 4.45Å; V77-L98 HydrophobicContact CG2-CD1 3.39Å; V77-V107 HydrophobicContact CG2-CG1 4.08Å; V77-K108 PolarHBondContact N-O 3.4Å; V77-I109 WeakPolarHBondContact O-CA 3.18Å; V77-L110 PolarHBondContact O-N 2.69Å
78Y98.2Very high92.8Very high0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-139.7157.2169.970.1-85.7000111.7L33 F34 D35 S36 H46 I47 A50 L110 F114L33-Y78 HydrophobicContact CD1-CD1 3.72Å; L33-Y78 HydrophobicContact CD1-CE1 3.92Å; L33-Y78 HydrophobicContact CD2-CE1 4.21Å; L33-Y78 HydrophobicContact CG-CD1 4.22Å; L33-Y78 HydrophobicContact CG-CE1 3.9Å; F34-Y78 WeakPolarHBondContact O-CD1 3.29Å; F34-Y78 PolarHBondContact O-N 2.79Å; D35-Y78 HydrophobicContact CB-CE1 3.87Å; D35-Y78 HydrophobicContact CB-CE2 3.98Å; D35-Y78 WeakPolarHBondContact CB-OH 3.25Å; D35-Y78 VanDerWaalsContact CG-CE2 3.47Å; D35-Y78 PolarHBondContact OD2-OH 2.81Å; D35-Y78 VanDerWaalsContact OD2-OH 3.14Å; S36-Y78 WeakPolarHBondContact CB-O 3.46Å; S36-Y78 PolarHBondContact N-O 3.1Å; S36-Y78 PolarHBondContact OG-O 3.18Å; H46-Y78 WeakPolarHBondContact CB-OH 3.37Å; I47-Y78 HydrophobicContact CB-CE1 4.26Å; I47-Y78 HydrophobicContact CD1-CD1 4.12Å; I47-Y78 HydrophobicContact CD1-CD2 4.24Å; I47-Y78 HydrophobicContact CD1-CE1 3.91Å; I47-Y78 HydrophobicContact CD1-CE2 4.06Å; I47-Y78 HydrophobicContact CD1-CG 4.26Å; I47-Y78 HydrophobicContact CG1-CE1 4.25Å; I47-Y78 HydrophobicContact CG1-CE2 4.19Å; I47-Y78 PolarHBondContact N-OH 3.41Å; A50-Y78 HydrophobicContact CB-CE1 3.77Å; A50-Y78 VanDerWaalsContact CB-OH 3.31Å; A50-Y78 WeakPolarHBondContact CB-OH 3.24Å; Y78-L110 HydrophobicContact CG-CD2 4.21Å; Y78-F114 HydrophobicContact CD2-CB 3.92Å; Y78-F114 HydrophobicContact CE2-CB 3.82Å; Y78-F114 AromaticContact CE2-CD2 3.94Å; Y78-F114 HydrophobicContact CE2-CD2 3.94Å; Y78-F114 HydrophobicContact CE2-CG 4.35Å
79D96.8Very high93.2Very high8 Ų846.3 Ų46.34%0.04326%0.256CS..  trans-122.4-151.3166.161.416000109.4S36 R37 N81 T82 D90 A91 G113 F114S36-D79 WeakPolarHBondContact OG-CB 3.42Å; R37-D79 HydrophobicContact CG-CB 4.44Å; D79-N81 PolarHBondContact OD1-N 3.07Å; D79-T82 VanDerWaalsContact CG-OG1 3.23Å; D79-T82 WeakPolarHBondContact OD1-CB 3.37Å; D79-T82 PolarHBondContact OD1-N 3.3Å; D79-T82 PolarHBondContact OD1-OG1 3.34Å; D79-T82 WeakPolarHBondContact OD2-CB 3.25Å; D79-T82 PolarHBondContact OD2-OG1 2.94Å; D79-D90 HydrophobicContact CB-CB 3.94Å; D79-D90 PolarHBondContact OD2-N 3.21Å; D79-D90 VanDerWaalsContact OD2-N 3.13Å; D79-A91 HydrophobicContact CB-CB 4.03Å; D79-A91 PolarHBondContact OD2-N 3.18Å; D79-G113 CarbonylContact O-C 3.59Å; D79-G113 WeakPolarHBondContact O-CA 3.46Å; D79-F114 PolarHBondContact O-N 3.37Å
80G96.9Very high93.5Very high17 Ų1747.6 Ų47.618%0.17526%0.263CS..SBendtrans-62.4-48.5176.600000113.3G113 F114 E115G80-G113 CarbonylContact O-C 3.6Å; G80-F114 PolarHBondContact O-N 2.97Å; G80-E115 WeakPolarHBondContact O-CB 3.42Å; G80-E115 VanDerWaalsContact O-CG 3.29Å; G80-E115 WeakPolarHBondContact O-CG 3.35Å; G80-E115 PolarHBondContact O-N 3.23Å
81N97.2Very high93.8Very high94 Ų9444.7 Ų44.750%0.50325%0.247SC..SBendtrans-159.610-160.260.610.5000116.6D79 S83 G112D79-N81 PolarHBondContact OD1-N 3.07Å; N81-S83 PolarHBondContact O-N 3.35Å; N81-S83 PolarHBondContact O-OG 2.86Å; N81-S83 VanDerWaalsContact O-OG 3.04Å; N81-G112 WeakPolarHBondContact CA-O 3.48Å
82T96.8Very high94.1Very high7 Ų742 Ų424%0.04323%0.229CC..  trans-56126.9177.9-77.80000110.9D79 A91 V92 I109 G112D79-T82 VanDerWaalsContact CG-OG1 3.23Å; D79-T82 WeakPolarHBondContact OD1-CB 3.37Å; D79-T82 PolarHBondContact OD1-N 3.3Å; D79-T82 PolarHBondContact OD1-OG1 3.34Å; D79-T82 WeakPolarHBondContact OD2-CB 3.25Å; D79-T82 PolarHBondContact OD2-OG1 2.94Å; T82-A91 HydrophobicContact CG2-CB 4.21Å; T82-V92 HydrophobicContact CG2-CG2 3.89Å; T82-I109 HydrophobicContact CG2-CG2 3.85Å; T82-G112 PolarHBondContact O-N 2.84Å
83S94.4Very high94.1Very high65 Ų6545.1 Ų45.146%0.45524%0.24SC..  trans-128.51-177.6-53.30000113.6N81 G112N81-S83 PolarHBondContact O-N 3.35Å; N81-S83 PolarHBondContact O-OG 2.86Å; N81-S83 VanDerWaalsContact O-OG 3.04Å; S83-G112 VanDerWaalsContact OG-CA 3.28Å; S83-G112 WeakPolarHBondContact OG-CA 3.3Å; S83-G112 PolarHBondContact OG-N 3.05Å
84S93.6Very high94.1Very high51 Ų5138.7 Ų38.736%0.35722%0.216SC..  trans-148146.9179.1173.90000111.5D86 S87S84-D86 PolarHBondContact O-N 3.08Å; S84-D86 PolarHBondContact OG-N 2.85Å; S84-S87 WeakPolarHBondContact O-CB 3.45Å; S84-S87 PolarHBondContact O-N 2.73Å; S84-S87 PolarHBondContact O-OG 2.89Å
85L92.2Very high94.1Very high67 Ų6738.1 Ų38.135%0.35121%0.213SC..THydrogen-bonded Turntrans-67.4-21.3175.1-61.9-178000113.3L4 I6 S87 I109L4-L85 HydrophobicContact CB-CD1 4.46Å; L4-L85 HydrophobicContact CB-CD2 3.94Å; I6-L85 HydrophobicContact CD1-CD2 3.95Å; I6-L85 HydrophobicContact CD1-CG 4.35Å; I6-L85 HydrophobicContact CG1-CD2 3.8Å; I6-L85 HydrophobicContact CG1-CG 3.83Å; L85-S87 PolarHBondContact O-N 3.02Å; L85-I109 HydrophobicContact CD2-CD1 3.78Å
86D89.7Confident94Very high155 Ų15542.8 Ų42.883%0.82923%0.233SC*.THydrogen-bonded Turntrans-79.9-8.9179-60.6-39.7000112.7S84S84-D86 PolarHBondContact O-N 3.08Å; S84-D86 PolarHBondContact OG-N 2.85Å
87S85.2Confident93.8Very high40 Ų4045 Ų4528%0.2825%0.245SC..SBendtrans-76.2148.9175.871.90000111.5S84 L85 G89 V92S84-S87 WeakPolarHBondContact O-CB 3.45Å; S84-S87 PolarHBondContact O-N 2.73Å; S84-S87 PolarHBondContact O-OG 2.89Å; L85-S87 PolarHBondContact O-N 3.02Å; S87-G89 PolarHBondContact O-N 3.41Å; S87-V92 WeakPolarHBondContact O-CG2 3.37Å
88E84.8Confident93.6Very high175 Ų17545 Ų4582%0.81825%0.245SC*.  trans-8727.5169.6-62-166.616100112.5R93E88-R93 PolarHBondContact O-NE 3.04Å; E88-R93 VanDerWaalsContact O-NE 3.1Å; E88-R93 PolarHBondContact O-NH2 3.45Å
89G90.9Very high93.3Very high16 Ų1646.9 Ų46.917%0.16525%0.253CS..  trans-58.7157.2-179.300000113S87 A91 V92 R93S87-G89 PolarHBondContact O-N 3.41Å; G89-A91 PolarHBondContact O-N 2.76Å; G89-V92 PolarHBondContact O-N 3.38Å; G89-R93 PolarHBondContact O-N 3.39Å
90D94.1Very high93.1Very high33 Ų3351.9 Ų51.918%0.17628%0.28CS..Hα-helixtrans-61-37.2178.6-78.8-54.8000111.3R55 F61 D79 V92 R93 A94R55-D90 VanDerWaalsContact CZ-CG 3.47Å; R55-D90 IonicContact CZ-OD1 3.41Å; R55-D90 IonicContact CZ-OD2 3.4Å; R55-D90 VanDerWaalsContact NH1-CG 3.26Å; R55-D90 IonicContact NH1-OD1 2.81Å; R55-D90 PolarHBondContact NH1-OD1 3.07Å; R55-D90 IonicContact NH1-OD2 3.25Å; R55-D90 PolarHBondContact NH1-OD2 2.98Å; R55-D90 IonicContact NH2-OD1 3.24Å; R55-D90 PolarHBondContact NH2-OD1 3.28Å; R55-D90 IonicContact NH2-OD2 2.68Å; R55-D90 PolarHBondContact NH2-OD2 3.1Å; F61-D90 HydrophobicContact CZ-CB 3.9Å; D79-D90 HydrophobicContact CB-CB 3.94Å; D79-D90 PolarHBondContact OD2-N 3.21Å; D79-D90 VanDerWaalsContact OD2-N 3.13Å; D90-V92 PolarHBondContact O-N 3.19Å; D90-R93 VanDerWaalsContact CG-NH2 3.28Å; D90-R93 PolarHBondContact O-N 3.37Å; D90-R93 IonicContact OD1-CZ 3.01Å; D90-R93 IonicContact OD1-NH1 3.97Å; D90-R93 PolarHBondContact OD1-NH1 3.06Å; D90-R93 IonicContact OD1-NH2 3.61Å; D90-R93 PolarHBondContact OD1-NH2 3.45Å; D90-R93 IonicContact OD2-NH2 3.77Å; D90-A94 VanDerWaalsContact O-CB 3.24Å; D90-A94 WeakPolarHBondContact O-CB 3.49Å; D90-A94 PolarHBondContact O-N 3.32Å
91A95.8Very high92.8Very high0 Ų054.8 Ų54.80%029%0.292CS..Hα-helixtrans-63.2-41176.100000112.3V77 D79 T82 G89 A94 A95 I109V77-A91 HydrophobicContact CG1-CB 4.36Å; D79-A91 HydrophobicContact CB-CB 4.03Å; D79-A91 PolarHBondContact OD2-N 3.18Å; T82-A91 HydrophobicContact CG2-CB 4.21Å; G89-A91 PolarHBondContact O-N 2.76Å; A91-A94 PolarHBondContact O-N 2.99Å; A91-A95 WeakPolarHBondContact O-CB 3.31Å; A91-A95 PolarHBondContact O-N 3.02Å; A91-I109 HydrophobicContact CB-CG2 3.89Å
92V95.2Very high92.2Very high1 Ų152 Ų521%0.00629%0.285CS..Hα-helixtrans-65.6-44.2176.9-179.30000110.9T82 S87 G89 D90 A95 K96 I109T82-V92 HydrophobicContact CG2-CG2 3.89Å; S87-V92 WeakPolarHBondContact O-CG2 3.37Å; G89-V92 PolarHBondContact O-N 3.38Å; D90-V92 PolarHBondContact O-N 3.19Å; V92-A95 PolarHBondContact O-N 3.2Å; V92-K96 HydrophobicContact CG1-CD 4.26Å; V92-K96 WeakPolarHBondContact O-CG 3.49Å; V92-K96 PolarHBondContact O-N 3.29Å; V92-I109 HydrophobicContact CB-CD1 4.33Å; V92-I109 HydrophobicContact CG2-CD1 3.91Å
93R93.9Very high91.8Very high72 Ų7252.2 Ų52.227%0.27229%0.287SS..Hα-helixtrans-63.1-44.8177.2-77.1-174.2-86.8115.1-2.4112C59 F61 E88 G89 D90 L97C59-R93 PolarHBondContact O-NH1 3.48Å; F61-R93 HydrophobicContact CE2-CB 3.99Å; E88-R93 PolarHBondContact O-NE 3.04Å; E88-R93 VanDerWaalsContact O-NE 3.1Å; E88-R93 PolarHBondContact O-NH2 3.45Å; G89-R93 PolarHBondContact O-N 3.39Å; D90-R93 VanDerWaalsContact CG-NH2 3.28Å; D90-R93 PolarHBondContact O-N 3.37Å; D90-R93 IonicContact OD1-CZ 3.01Å; D90-R93 IonicContact OD1-NH1 3.97Å; D90-R93 PolarHBondContact OD1-NH1 3.06Å; D90-R93 IonicContact OD1-NH2 3.61Å; D90-R93 PolarHBondContact OD1-NH2 3.45Å; D90-R93 IonicContact OD2-NH2 3.77Å; R93-L97 PolarHBondContact O-N 3.36Å; R93-L97 VanDerWaalsContact O-N 3.11Å
94A94.5Very high91.5Very high0 Ų057.9 Ų57.90%030%0.299CS..Hα-helixtrans-64-43175.700000112.2L53 F61 V77 D90 A91 K96 L97 L98L53-A94 HydrophobicContact CD2-CB 3.43Å; L53-A94 VanDerWaalsContact CD2-CB 3.43Å; F61-A94 HydrophobicContact CD2-CB 3.84Å; F61-A94 HydrophobicContact CE1-CB 4.49Å; F61-A94 HydrophobicContact CE2-CB 3.79Å; F61-A94 HydrophobicContact CG-CB 4.24Å; F61-A94 HydrophobicContact CZ-CB 4.14Å; V77-A94 HydrophobicContact CG1-CB 3.71Å; D90-A94 VanDerWaalsContact O-CB 3.24Å; D90-A94 WeakPolarHBondContact O-CB 3.49Å; D90-A94 PolarHBondContact O-N 3.32Å; A91-A94 PolarHBondContact O-N 2.99Å; A94-K96 PolarHBondContact O-N 3.35Å; A94-L97 WeakPolarHBondContact O-CB 3.38Å; A94-L97 PolarHBondContact O-N 3.42Å; A94-L98 WeakPolarHBondContact O-CG 3.49Å; A94-L98 PolarHBondContact O-N 2.99Å
95A94.9Very high91.3Very high0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-64.8-41.2179.300000112.4L4 V77 A91 V92 L98 H99 V107 I109L4-A95 HydrophobicContact CD1-CB 4.47Å; L4-A95 HydrophobicContact CD2-CB 3.89Å; V77-A95 HydrophobicContact CG2-CB 4.45Å; A91-A95 WeakPolarHBondContact O-CB 3.31Å; A91-A95 PolarHBondContact O-N 3.02Å; V92-A95 PolarHBondContact O-N 3.2Å; A95-L98 PolarHBondContact O-N 3.07Å; A95-H99 WeakPolarHBondContact O-CB 3.3Å; A95-H99 PolarHBondContact O-N 3.1Å; A95-V107 HydrophobicContact CB-CB 4.26Å; A95-V107 HydrophobicContact CB-CG1 3.66Å; A95-I109 HydrophobicContact CB-CD1 3.71Å; A95-I109 HydrophobicContact CB-CG1 3.71Å
96K94Very high91.3Very high98 Ų9858.3 Ų58.343%0.42630%0.297SS..Hα-helixtrans-58.8-47171.8-72.6173.6-179.3170.10111.3A2 L4 V92 A94 L98 H99 D100A2-K96 HydrophobicContact CB-CG 4.21Å; L4-K96 HydrophobicContact CD1-CG 3.88Å; V92-K96 HydrophobicContact CG1-CD 4.26Å; V92-K96 WeakPolarHBondContact O-CG 3.49Å; V92-K96 PolarHBondContact O-N 3.29Å; A94-K96 PolarHBondContact O-N 3.35Å; K96-L98 PolarHBondContact O-N 3.3Å; K96-H99 PolarHBondContact O-N 3.19Å; K96-D100 WeakPolarHBondContact O-CB 3.38Å; K96-D100 PolarHBondContact O-N 3.12Å
97L92.7Very high91.6Very high46 Ų4651 Ų5124%0.24126%0.257CS..Hα-helixtrans-57.3-49.3177179.175.9000111.7F61 I63 R93 A94 H99 D100 N101F61-L97 HydrophobicContact CB-CD2 3.61Å; F61-L97 VanDerWaalsContact O-CD2 3.23Å; F61-L97 WeakPolarHBondContact O-CD2 3.45Å; I63-L97 HydrophobicContact CG1-CD1 4.34Å; I63-L97 HydrophobicContact CG1-CD2 4.17Å; I63-L97 HydrophobicContact CG1-CG 4.2Å; R93-L97 PolarHBondContact O-N 3.36Å; R93-L97 VanDerWaalsContact O-N 3.11Å; A94-L97 WeakPolarHBondContact O-CB 3.38Å; A94-L97 PolarHBondContact O-N 3.42Å; L97-H99 VanDerWaalsContact C-N 3.35Å; L97-H99 PolarHBondContact O-N 2.9Å; L97-D100 PolarHBondContact O-N 3.26Å; L97-N101 WeakPolarHBondContact CD1-ND2 3.48Å; L97-N101 WeakPolarHBondContact O-CB 3.37Å; L97-N101 PolarHBondContact O-N 3Å; L97-N101 VanDerWaalsContact O-N 3.17Å; L97-N101 PolarHBondContact O-ND2 3.32Å
98L93.3Very high92.2Very high0 Ų050.2 Ų50.20%025%0.249CC..Hα-helixtrans-64.8-39.7-178.6-68.3175.2000112.2F34 P64 L69 L75 V77 A94 A95 K96 N101 S103 V107F34-L98 HydrophobicContact CD2-CD1 3.89Å; F34-L98 HydrophobicContact CE2-CD1 4.44Å; P64-L98 HydrophobicContact CG-CD2 4.5Å; L69-L98 HydrophobicContact CD1-CD2 3.97Å; L69-L98 HydrophobicContact CD2-CD2 4.13Å; L75-L98 HydrophobicContact CD1-CD1 4.17Å; L75-L98 HydrophobicContact CD2-CB 4.1Å; L75-L98 HydrophobicContact CD2-CD1 4.44Å; L75-L98 HydrophobicContact CG-CD1 4.31Å; V77-L98 HydrophobicContact CG2-CD1 3.39Å; A94-L98 WeakPolarHBondContact O-CG 3.49Å; A94-L98 PolarHBondContact O-N 2.99Å; A95-L98 PolarHBondContact O-N 3.07Å; K96-L98 PolarHBondContact O-N 3.3Å; L98-N101 PolarHBondContact O-N 3.37Å; L98-S103 PolarHBondContact O-N 3.08Å; L98-V107 HydrophobicContact CB-CG2 4.48Å
99H93.1Very high92.8Very high40 Ų4041.9 Ų41.919%0.18521%0.21CC..Hα-helixtrans-60.1-51.8174.5174-87.8000111.3K3 L4 A95 K96 L97 N101 G102 V107K3-H99 WeakPolarHBondContact CB-NE2 3.33Å; K3-H99 PolarHBondContact N-CD2 3.05Å; K3-H99 PolarHBondContact N-NE2 3.05Å; L4-H99 HydrophobicContact CD2-CB 4.34Å; A95-H99 WeakPolarHBondContact O-CB 3.3Å; A95-H99 PolarHBondContact O-N 3.1Å; K96-H99 PolarHBondContact O-N 3.19Å; L97-H99 VanDerWaalsContact C-N 3.35Å; L97-H99 PolarHBondContact O-N 2.9Å; H99-N101 PolarHBondContact O-N 3.32Å; H99-N101 VanDerWaalsContact O-N 3.13Å; H99-G102 PolarHBondContact O-N 3.41Å; H99-V107 HydrophobicContact CB-CG2 3.78Å
100D91.8Very high93.2Very high112 Ų11241.1 Ų41.160%0.59920%0.202SC*.Hα-helixtrans-69.9-12.4-174.7-63.6-14.5000113K96 L97K96-D100 WeakPolarHBondContact O-CB 3.38Å; K96-D100 PolarHBondContact O-N 3.12Å; L97-D100 PolarHBondContact O-N 3.26Å
101N89.8Confident93.3Very high79 Ų7943 Ų4342%0.42221%0.21SC..THydrogen-bonded Turntrans-111.418.7-179.1-72.5-85.9000114.6I63 L97 L98 H99I63-N101 HydrophobicContact CD1-CB 3.7Å; I63-N101 WeakPolarHBondContact CD1-OD1 3.09Å; I63-N101 HydrophobicContact CG1-CB 4.13Å; L97-N101 WeakPolarHBondContact CD1-ND2 3.48Å; L97-N101 WeakPolarHBondContact O-CB 3.37Å; L97-N101 PolarHBondContact O-N 3Å; L97-N101 VanDerWaalsContact O-N 3.17Å; L97-N101 PolarHBondContact O-ND2 3.32Å; L98-N101 PolarHBondContact O-N 3.37Å; H99-N101 PolarHBondContact O-N 3.32Å; H99-N101 VanDerWaalsContact O-N 3.13Å
102G86.2Confident93.4Very high36 Ų3643 Ų4337%0.37121%0.211SC..THydrogen-bonded Turntrans135.6-3.7162.100000116.7D70 H99 R104D70-G102 VanDerWaalsContact CA-O 3.23Å; D70-G102 WeakPolarHBondContact CA-O 3.36Å; D70-G102 VanDerWaalsContact CB-O 3.23Å; D70-G102 WeakPolarHBondContact CB-O 3.35Å; D70-G102 PolarHBondContact N-O 3.25Å; H99-G102 PolarHBondContact O-N 3.41Å; G102-R104 PolarHBondContact O-N 3.28Å
103S88.3Confident93.6Very high11 Ų1143 Ų438%0.07721%0.21CC..  trans-62122.7176.6-170.30000111.4L98 N105L98-S103 PolarHBondContact O-N 3.08Å; S103-N105 PolarHBondContact OG-O 2.84Å
104R87.4Confident93.8Very high184 Ų18440.9 Ų40.969%0.69420%0.203SC*.  trans-83.8-29.7171.2-69.2-176.7-171.4175.216112.3D70 G102D70-R104 HydrophobicContact CB-CG 3.9Å; D70-R104 IonicContact OD2-CZ 2.69Å; D70-R104 IonicContact OD2-NE 2.7Å; D70-R104 IonicContact OD2-NH2 3.85Å; D70-R104 PolarHBondContact OD2-NH2 3.05Å; G102-R104 PolarHBondContact O-N 3.28Å
105N89.4Confident94Very high59 Ų5946.2 Ų46.232%0.31623%0.228SC..SBendtrans-88163.3177.4-65.4-50000111.2I72 S103 V107I72-N105 PolarHBondContact O-ND2 3.39Å; S103-N105 PolarHBondContact OG-O 2.84Å; N105-V107 PolarHBondContact O-N 2.91Å
106L92.7Very high94.1Very high68 Ų6847.8 Ų47.836%0.35624%0.238SC..PPolyproline II helixtrans-58135.4170.8-58.8176000109.3K3 E5K3-L106 HydrophobicContact CB-CD2 3.44Å; K3-L106 VanDerWaalsContact CB-CD2 3.44Å; K3-L106 HydrophobicContact CD-CD2 4.12Å; K3-L106 HydrophobicContact CG-CD2 3.89Å; K3-L106 VanDerWaalsContact O-CA 3.31Å; K3-L106 WeakPolarHBondContact O-CA 3.27Å; E5-L106 HydrophobicContact CB-CD1 4.28Å; E5-L106 HydrophobicContact CG-CB 4.09Å; E5-L106 HydrophobicContact CG-CD1 4.27Å; E5-L106 VanDerWaalsContact OE2-CD1 3.28Å; E5-L106 WeakPolarHBondContact OE2-CD1 3.19Å
107V95.6Very high94.3Very high0 Ų043.1 Ų43.10%022%0.217CC..EExtended strand (participates in β ladder)trans-85.4121.2171.3-172.90000108.7K3 L4 E5 L75 V77 A95 L98 H99 N105K3-V107 PolarHBondContact O-N 3.29Å; L4-V107 WeakPolarHBondContact CA-O 3.49Å; L4-V107 HydrophobicContact CD2-CB 3.88Å; L4-V107 HydrophobicContact CD2-CG2 4.47Å; E5-V107 PolarHBondContact N-O 2.84Å; L75-V107 HydrophobicContact CD2-CG2 4.06Å; L75-V107 HydrophobicContact CG-CG1 4.25Å; V77-V107 HydrophobicContact CG2-CG1 4.08Å; A95-V107 HydrophobicContact CB-CB 4.26Å; A95-V107 HydrophobicContact CB-CG1 3.66Å; L98-V107 HydrophobicContact CB-CG2 4.48Å; H99-V107 HydrophobicContact CB-CG2 3.78Å; N105-V107 PolarHBondContact O-N 2.91Å
108K97.2Very high94.6Very high25 Ų2541.8 Ų41.811%0.10921%0.211CC..EExtended strand (participates in β ladder)trans-87.5133.3-176.2-69.1171170.3860110.4E5 I7 N74 L75 I76 V77E5-K108 HydrophobicContact CG-CB 4.29Å; E5-K108 HydrophobicContact CG-CG 3.61Å; E5-K108 CarbonylContact O-C 3.5Å; E5-K108 WeakPolarHBondContact O-CA 3.37Å; E5-K108 WeakPolarHBondContact OE1-CE 3.49Å; E5-K108 WeakPolarHBondContact OE1-CG 3.14Å; E5-K108 IonicContact OE1-NZ 2.6Å; E5-K108 PolarHBondContact OE1-NZ 3.29Å; I7-K108 HydrophobicContact CD1-CB 4.11Å; I7-K108 HydrophobicContact CD1-CD 4.3Å; I7-K108 HydrophobicContact CG1-CB 4.24Å; I7-K108 HydrophobicContact CG2-CB 3.89Å; I7-K108 HydrophobicContact CG2-CD 3.83Å; I7-K108 HydrophobicContact CG2-CG 3.68Å; N74-K108 WeakPolarHBondContact OD1-CE 3.33Å; N74-K108 PolarHBondContact OD1-NZ 2.49Å; L75-K108 PolarHBondContact O-N 2.92Å; I76-K108 CarbonylContact C-O 3.52Å; I76-K108 VanDerWaalsContact CA-O 3.31Å; I76-K108 WeakPolarHBondContact CA-O 3.38Å; I76-K108 HydrophobicContact CB-CB 4.32Å; I76-K108 HydrophobicContact CD1-CD 4.42Å; I76-K108 HydrophobicContact CG1-CB 3.89Å; I76-K108 HydrophobicContact CG1-CD 3.92Å; I76-K108 HydrophobicContact CG2-CB 4.34Å; V77-K108 PolarHBondContact N-O 3.4Å
109I98Very high94.8Very high0 Ų050.5 Ų50.50%024%0.244CC..EExtended strand (participates in β ladder)trans-110.8126.8172.7-63175.3000108.3E5 I6 I7 V77 T82 L85 A91 V92 A95 E111E5-I109 PolarHBondContact O-N 2.6Å; I6-I109 CarbonylContact C-O 3.32Å; I6-I109 WeakPolarHBondContact CA-O 3.33Å; I6-I109 HydrophobicContact CD1-CB 3.82Å; I6-I109 HydrophobicContact CD1-CG2 3.78Å; I7-I109 PolarHBondContact N-O 2.65Å; V77-I109 WeakPolarHBondContact O-CA 3.18Å; T82-I109 HydrophobicContact CG2-CG2 3.85Å; L85-I109 HydrophobicContact CD2-CD1 3.78Å; A91-I109 HydrophobicContact CB-CG2 3.89Å; V92-I109 HydrophobicContact CB-CD1 4.33Å; V92-I109 HydrophobicContact CG2-CD1 3.91Å; A95-I109 HydrophobicContact CB-CD1 3.71Å; A95-I109 HydrophobicContact CB-CG1 3.71Å; I109-E111 PolarHBondContact O-N 3.14Å
110L98.5Very high94.9Very high0 Ų052.1 Ų52.10%025%0.254CS..EExtended strand (participates in β ladder)trans-72.4116.2178.7-178.961.8000111I7 L12 I47 V77 Y78 G112 G113 F117I7-L110 HydrophobicContact CG1-CD1 4.47Å; L12-L110 HydrophobicContact CB-CD1 3.9Å; L12-L110 HydrophobicContact CD2-CD1 3.72Å; L12-L110 HydrophobicContact CD2-CD2 3.52Å; L12-L110 HydrophobicContact CD2-CG 4.17Å; L12-L110 HydrophobicContact CG-CD1 4.47Å; I47-L110 HydrophobicContact CD1-CD2 3.5Å; V77-L110 PolarHBondContact O-N 2.69Å; Y78-L110 HydrophobicContact CG-CD2 4.21Å; L110-G112 PolarHBondContact O-N 3.35Å; L110-G113 PolarHBondContact O-N 3.32Å; L110-G113 VanDerWaalsContact O-N 3.09Å; L110-F117 HydrophobicContact CD1-CD2 4.23Å; L110-F117 HydrophobicContact CD2-CB 3.85Å; L110-F117 HydrophobicContact CD2-CD2 4.16Å; L110-F117 HydrophobicContact CD2-CG 4.17Å
111E97.9Very high95.2Very high72 Ų7247.2 Ų47.234%0.33623%0.227SC..THydrogen-bonded Turntrans-58125.3176.9-171.2-177.2-141.300111.5I6 I7 I109 G113I6-E111 HydrophobicContact CG2-CB 3.66Å; I6-E111 HydrophobicContact CG2-CG 4.13Å; I7-E111 WeakPolarHBondContact O-CB 3.49Å; I7-E111 PolarHBondContact O-N 2.84Å; I109-E111 PolarHBondContact O-N 3.14Å; E111-G113 PolarHBondContact O-N 3.3Å
112G97.8Very high95.5Very high1 Ų146.2 Ų46.21%0.0123%0.225CC..THydrogen-bonded Turntrans72.28.3178.900000114.4N81 T82 S83 L110 T116N81-G112 WeakPolarHBondContact CA-O 3.48Å; T82-G112 PolarHBondContact O-N 2.84Å; S83-G112 VanDerWaalsContact OG-CA 3.28Å; S83-G112 WeakPolarHBondContact OG-CA 3.3Å; S83-G112 PolarHBondContact OG-N 3.05Å; L110-G112 PolarHBondContact O-N 3.35Å; G112-T116 WeakPolarHBondContact CA-OG1 3.44Å; G112-T116 VanDerWaalsContact O-CB 3.25Å; G112-T116 WeakPolarHBondContact O-CB 3.45Å; G112-T116 PolarHBondContact O-N 3.47Å; G112-T116 PolarHBondContact O-OG1 3.02Å
113G98.2Very high96Very high0 Ų046 Ų460%021%0.213CC..Hα-helixtrans54.9-152.4171.400000115.4D79 G80 L110 E111 E115 F117D79-G113 CarbonylContact O-C 3.59Å; D79-G113 WeakPolarHBondContact O-CA 3.46Å; G80-G113 CarbonylContact O-C 3.6Å; L110-G113 PolarHBondContact O-N 3.32Å; L110-G113 VanDerWaalsContact O-N 3.09Å; E111-G113 PolarHBondContact O-N 3.3Å; G113-E115 VanDerWaalsContact C-N 3.3Å; G113-E115 PolarHBondContact O-N 3.48Å; G113-F117 WeakPolarHBondContact O-CB 3.46Å; G113-F117 PolarHBondContact O-N 3.32Å; G113-F117 VanDerWaalsContact O-N 3.15Å
114F98.5Very high96.4Very high27 Ų2745.4 Ų45.412%0.11821%0.209CC..Hα-helixtrans-58.6-41.3178.4-179-99.8000112.3R37 H46 I47 Y78 D79 G80 T118R37-F114 VanDerWaalsContact CZ-CG 3.41Å; R37-F114 VanDerWaalsContact NH1-CG 3.27Å; H46-F114 VanDerWaalsContact CA-CE2 3.47Å; I47-F114 HydrophobicContact CG1-CD2 4.11Å; Y78-F114 HydrophobicContact CD2-CB 3.92Å; Y78-F114 HydrophobicContact CE2-CB 3.82Å; Y78-F114 AromaticContact CE2-CD2 3.94Å; Y78-F114 HydrophobicContact CE2-CD2 3.94Å; Y78-F114 HydrophobicContact CE2-CG 4.35Å; D79-F114 PolarHBondContact O-N 3.37Å; G80-F114 PolarHBondContact O-N 2.97Å; F114-T118 HydrophobicContact CD1-CG2 4.37Å; F114-T118 HydrophobicContact CD2-CG2 3.71Å; F114-T118 HydrophobicContact CE1-CG2 4.14Å; F114-T118 HydrophobicContact CE2-CG2 3.41Å; F114-T118 VanDerWaalsContact CE2-CG2 3.41Å; F114-T118 HydrophobicContact CG-CG2 4.19Å; F114-T118 HydrophobicContact CZ-CG2 3.67Å; F114-T118 WeakPolarHBondContact O-CB 3.2Å; F114-T118 WeakPolarHBondContact O-CG2 3.38Å; F114-T118 PolarHBondContact O-N 3.22Å; F114-T118 PolarHBondContact O-OG1 2.62Å
115E98.1Very high96.8Very high113 Ų11343.1 Ų43.153%0.52820%0.2SC..Hα-helixtrans-61.9-49-175.8-70.8173.4-162.200111.4G80 G113 R119G80-E115 WeakPolarHBondContact O-CB 3.42Å; G80-E115 VanDerWaalsContact O-CG 3.29Å; G80-E115 WeakPolarHBondContact O-CG 3.35Å; G80-E115 PolarHBondContact O-N 3.23Å; G113-E115 VanDerWaalsContact C-N 3.3Å; G113-E115 PolarHBondContact O-N 3.48Å; E115-R119 VanDerWaalsContact O-CB 3.26Å; E115-R119 WeakPolarHBondContact O-CB 3.35Å; E115-R119 PolarHBondContact O-N 3.42Å; E115-R119 VanDerWaalsContact O-N 3.13Å
116T98.2Very high97.1Very high33 Ų3341.1 Ų41.120%0.20219%0.191CC..Hα-helixtrans-71.5-44.5-178.4-61.30000111.2P9 G112 T118 R119 L120P9-T116 HydrophobicContact CG-CG2 3.95Å; G112-T116 WeakPolarHBondContact CA-OG1 3.44Å; G112-T116 VanDerWaalsContact O-CB 3.25Å; G112-T116 WeakPolarHBondContact O-CB 3.45Å; G112-T116 PolarHBondContact O-N 3.47Å; G112-T116 PolarHBondContact O-OG1 3.02Å; T116-T118 PolarHBondContact O-N 2.87Å; T116-R119 PolarHBondContact O-N 2.91Å; T116-L120 HydrophobicContact CG2-CD1 4.14Å; T116-L120 WeakPolarHBondContact O-CG 3.34Å; T116-L120 PolarHBondContact O-N 3.04Å
117F98.5Very high97.1Very high0 Ų043.7 Ų43.70%021%0.205CC..Hα-helixtrans-62.3-46.4-179.2-175-87.2000112P9 L12 L16 I47 L110 G113 R119 L120 Y121 M124P9-F117 HydrophobicContact CB-CD2 3.99Å; L12-F117 HydrophobicContact CB-CD2 4.41Å; L12-F117 HydrophobicContact CB-CE2 3.96Å; L12-F117 HydrophobicContact CD2-CD2 3.82Å; L12-F117 HydrophobicContact CD2-CE2 3.67Å; L12-F117 HydrophobicContact CD2-CZ 4.25Å; L12-F117 HydrophobicContact CG-CD2 4.34Å; L12-F117 HydrophobicContact CG-CE2 3.75Å; L12-F117 HydrophobicContact CG-CZ 4.32Å; L16-F117 HydrophobicContact CD1-CZ 4.45Å; I47-F117 HydrophobicContact CB-CD1 4.49Å; I47-F117 HydrophobicContact CB-CE1 4.43Å; I47-F117 HydrophobicContact CD1-CB 3.94Å; I47-F117 HydrophobicContact CD1-CD1 3.53Å; I47-F117 HydrophobicContact CD1-CD2 4.34Å; I47-F117 HydrophobicContact CD1-CE1 4.11Å; I47-F117 HydrophobicContact CD1-CG 3.66Å; I47-F117 HydrophobicContact CG1-CD1 3.64Å; I47-F117 HydrophobicContact CG1-CE1 4.05Å; I47-F117 HydrophobicContact CG1-CG 4.29Å; I47-F117 HydrophobicContact CG2-CD1 4.12Å; I47-F117 HydrophobicContact CG2-CE1 3.62Å; I47-F117 HydrophobicContact CG2-CZ 4.1Å; L110-F117 HydrophobicContact CD1-CD2 4.23Å; L110-F117 HydrophobicContact CD2-CB 3.85Å; L110-F117 HydrophobicContact CD2-CD2 4.16Å; L110-F117 HydrophobicContact CD2-CG 4.17Å; G113-F117 WeakPolarHBondContact O-CB 3.46Å; G113-F117 PolarHBondContact O-N 3.32Å; G113-F117 VanDerWaalsContact O-N 3.15Å; F117-R119 VanDerWaalsContact C-N 3.33Å; F117-R119 PolarHBondContact O-N 3.3Å; F117-L120 PolarHBondContact O-N 3.45Å; F117-Y121 HydrophobicContact CD1-CD2 4.28Å; F117-Y121 AromaticContact CD2-CD2 3.77Å; F117-Y121 HydrophobicContact CD2-CD2 3.77Å; F117-Y121 HydrophobicContact CD2-CE2 4.12Å; F117-Y121 HydrophobicContact CE1-CD2 4.08Å; F117-Y121 AromaticContact CE2-CD2 3.53Å; F117-Y121 HydrophobicContact CE2-CD2 3.53Å; F117-Y121 AromaticContact CE2-CE2 3.93Å; F117-Y121 HydrophobicContact CE2-CE2 3.93Å; F117-Y121 HydrophobicContact CG-CD2 4.14Å; F117-Y121 AromaticContact CZ-CD2 3.7Å; F117-Y121 HydrophobicContact CZ-CD2 3.7Å; F117-Y121 HydrophobicContact CZ-CE2 4.48Å; F117-Y121 HydrophobicContact CZ-CG 4.36Å; F117-Y121 PolarHBondContact O-N 2.84Å; F117-M124 HydrophobicContact CE1-CB 3.85Å; F117-M124 HydrophobicContact CE1-SD 4.38Å; F117-M124 HydrophobicContact CZ-CB 4.35Å; F117-M124 HydrophobicContact CZ-CE 4.21Å; F117-M124 HydrophobicContact CZ-SD 3.95Å
118T97.7Very high97.1Very high17 Ų1747.2 Ų47.210%0.10422%0.22CC..Hα-helixtrans-77-19.8-177.760.90000113.9F114 T116 P122 R125F114-T118 HydrophobicContact CD1-CG2 4.37Å; F114-T118 HydrophobicContact CD2-CG2 3.71Å; F114-T118 HydrophobicContact CE1-CG2 4.14Å; F114-T118 HydrophobicContact CE2-CG2 3.41Å; F114-T118 VanDerWaalsContact CE2-CG2 3.41Å; F114-T118 HydrophobicContact CG-CG2 4.19Å; F114-T118 HydrophobicContact CZ-CG2 3.67Å; F114-T118 WeakPolarHBondContact O-CB 3.2Å; F114-T118 WeakPolarHBondContact O-CG2 3.38Å; F114-T118 PolarHBondContact O-N 3.22Å; F114-T118 PolarHBondContact O-OG1 2.62Å; T116-T118 PolarHBondContact O-N 2.87Å; T118-P122 WeakPolarHBondContact O-CA 3.41Å; T118-P122 WeakPolarHBondContact O-CB 3.41Å; T118-R125 HydrophobicContact CG2-CG 3.43Å; T118-R125 VanDerWaalsContact CG2-CG 3.43Å
119R97.3Very high96.7Very high184 Ų18449.8 Ų49.869%0.69424%0.238SC*.Hα-helixtrans-66.6-39.2166.4-177.9176.165.5-167.5-2.6111.6E115 T116 F117E115-R119 VanDerWaalsContact O-CB 3.26Å; E115-R119 WeakPolarHBondContact O-CB 3.35Å; E115-R119 PolarHBondContact O-N 3.42Å; E115-R119 VanDerWaalsContact O-N 3.13Å; T116-R119 PolarHBondContact O-N 2.91Å; F117-R119 VanDerWaalsContact C-N 3.33Å; F117-R119 PolarHBondContact O-N 3.3Å
120L96.9Very high96.2Very high74 Ų7455 Ų5539%0.38727%0.266SS..Hα-helixtrans-80.9-41.7179.8-65.2171.7000112.2P9 T116 F117 P122P9-L120 HydrophobicContact CB-CD1 3.69Å; P9-L120 HydrophobicContact CG-CD1 3.85Å; T116-L120 HydrophobicContact CG2-CD1 4.14Å; T116-L120 WeakPolarHBondContact O-CG 3.34Å; T116-L120 PolarHBondContact O-N 3.04Å; F117-L120 PolarHBondContact O-N 3.45Å; L120-P122 VanDerWaalsContact C-CD 3.42Å; L120-P122 WeakPolarHBondContact O-CD 3.27Å
121Y97.2Very high95.9Very high8 Ų857.2 Ų57.23%0.03127%0.274CS..  trans-124.365-176.4-45.5-66.5000111.4P9 S10 Y13 F117 Y123 M124 E145P9-Y121 HydrophobicContact CB-CE2 3.79Å; P9-Y121 WeakPolarHBondContact O-CE2 3.33Å; S10-Y121 VanDerWaalsContact CA-OH 3.3Å; S10-Y121 WeakPolarHBondContact CA-OH 3.42Å; S10-Y121 PolarHBondContact N-OH 2.94Å; Y13-Y121 AromaticContact CD2-CD1 3.55Å; Y13-Y121 HydrophobicContact CD2-CD1 3.55Å; Y13-Y121 HydrophobicContact CD2-CD2 4.28Å; Y13-Y121 AromaticContact CD2-CE1 3.67Å; Y13-Y121 HydrophobicContact CD2-CE1 3.67Å; Y13-Y121 HydrophobicContact CD2-CE2 4.38Å; Y13-Y121 AromaticContact CD2-CG 3.87Å; Y13-Y121 HydrophobicContact CD2-CG 3.87Å; Y13-Y121 HydrophobicContact CE2-CD1 4.01Å; Y13-Y121 HydrophobicContact CE2-CE1 4.26Å; Y13-Y121 HydrophobicContact CG-CD1 4.38Å; Y13-Y121 HydrophobicContact CG-CE1 4.08Å; Y13-Y121 HydrophobicContact CG-CE2 4.49Å; F117-Y121 HydrophobicContact CD1-CD2 4.28Å; F117-Y121 AromaticContact CD2-CD2 3.77Å; F117-Y121 HydrophobicContact CD2-CD2 3.77Å; F117-Y121 HydrophobicContact CD2-CE2 4.12Å; F117-Y121 HydrophobicContact CE1-CD2 4.08Å; F117-Y121 AromaticContact CE2-CD2 3.53Å; F117-Y121 HydrophobicContact CE2-CD2 3.53Å; F117-Y121 AromaticContact CE2-CE2 3.93Å; F117-Y121 HydrophobicContact CE2-CE2 3.93Å; F117-Y121 HydrophobicContact CG-CD2 4.14Å; F117-Y121 AromaticContact CZ-CD2 3.7Å; F117-Y121 HydrophobicContact CZ-CD2 3.7Å; F117-Y121 HydrophobicContact CZ-CE2 4.48Å; F117-Y121 HydrophobicContact CZ-CG 4.36Å; F117-Y121 PolarHBondContact O-N 2.84Å; Y121-Y123 PolarHBondContact O-N 3.31Å; Y121-M124 HydrophobicContact CG-SD 4.4Å; Y121-M124 PolarHBondContact O-N 3.36Å; Y121-E145 PolarHBondContact OH-OE2 2.67Å
122P96.9Very high95.7Very high59 Ų5958.5 Ų58.538%0.38328%0.283SS..G310 helixtrans-61.7-21.3-174.724.2-34.7000113.9T118 L120 M124 R125T118-P122 WeakPolarHBondContact O-CA 3.41Å; T118-P122 WeakPolarHBondContact O-CB 3.41Å; L120-P122 VanDerWaalsContact C-CD 3.42Å; L120-P122 WeakPolarHBondContact O-CD 3.27Å; P122-M124 VanDerWaalsContact C-N 3.35Å; P122-R125 PolarHBondContact O-NE 3.23Å
123Y95.7Very high95.4Very high30 Ų3062.9 Ų62.912%0.11831%0.311CS..G310 helixtrans-82.4-6.3177.652.3-99.4000114.3Y13 Y121 Y142 Q167 M168Y13-Y123 HydrophobicContact CE2-CE2 4.06Å; Y121-Y123 PolarHBondContact O-N 3.31Å; Y123-Y142 HydrophobicContact CD2-CD1 4.06Å; Y123-Y142 HydrophobicContact CD2-CD2 4.44Å; Y123-Y142 AromaticContact CD2-CE1 3.5Å; Y123-Y142 HydrophobicContact CD2-CE1 3.5Å; Y123-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y123-Y142 AromaticContact CD2-CE2 3.91Å; Y123-Y142 HydrophobicContact CD2-CE2 3.91Å; Y123-Y142 AromaticContact CD2-CZ 3.41Å; Y123-Y142 VanDerWaalsContact CD2-CZ 3.41Å; Y123-Y142 AromaticContact CE2-CD1 3.89Å; Y123-Y142 HydrophobicContact CE2-CD1 3.89Å; Y123-Y142 HydrophobicContact CE2-CD2 4.38Å; Y123-Y142 AromaticContact CE2-CE1 3.81Å; Y123-Y142 HydrophobicContact CE2-CE1 3.81Å; Y123-Y142 HydrophobicContact CE2-CE2 4.3Å; Y123-Y142 HydrophobicContact CE2-CG 4.19Å; Y123-Y142 HydrophobicContact CG-CE1 4.32Å; Y123-Y142 PolarHBondContact O-OH 2.97Å; Y123-Q167 VanDerWaalsContact CB-NE2 3.32Å; Y123-Q167 HydrophobicContact CD1-CB 3.82Å; Y123-Q167 WeakPolarHBondContact CD1-O 3.38Å; Y123-Q167 HydrophobicContact CE1-CB 4.48Å; Y123-Q167 WeakPolarHBondContact CE1-O 3.42Å; Y123-Q167 HydrophobicContact CG-CB 3.99Å; Y123-M168 HydrophobicContact CE1-CG 4.07Å; Y123-M168 HydrophobicContact CE2-CG 4.28Å
124M97Very high95.2Very high0 Ų072.6 Ų72.60%035%0.348CS..G310 helixtrans-100.319.8173.4-67.2-175.879.500112.5Y13 L16 I48 F117 Y121 P122 Y142Y13-M124 HydrophobicContact CD2-CE 4.29Å; Y13-M124 HydrophobicContact CD2-SD 3.26Å; Y13-M124 WeakPolarHBondContact CD2-SD 3.49Å; Y13-M124 HydrophobicContact CE2-SD 3.59Å; Y13-M124 VanDerWaalsContact CE2-SD 3.59Å; Y13-M124 HydrophobicContact CG-SD 4.29Å; L16-M124 HydrophobicContact CB-CE 3.86Å; L16-M124 HydrophobicContact CD1-CE 3.71Å; L16-M124 HydrophobicContact CG-CE 4.45Å; I48-M124 HydrophobicContact CD1-CB 4.5Å; I48-M124 HydrophobicContact CD1-CE 3.49Å; I48-M124 VanDerWaalsContact CD1-CE 3.49Å; I48-M124 HydrophobicContact CD1-CG 4.48Å; I48-M124 HydrophobicContact CG1-CB 4.18Å; I48-M124 HydrophobicContact CG1-CE 4.02Å; I48-M124 WeakPolarHBondContact CG2-O 3.2Å; I48-M124 PolarHBondContact N-O 3.22Å; F117-M124 HydrophobicContact CE1-CB 3.85Å; F117-M124 HydrophobicContact CE1-SD 4.38Å; F117-M124 HydrophobicContact CZ-CB 4.35Å; F117-M124 HydrophobicContact CZ-CE 4.21Å; F117-M124 HydrophobicContact CZ-SD 3.95Å; Y121-M124 HydrophobicContact CG-SD 4.4Å; Y121-M124 PolarHBondContact O-N 3.36Å; P122-M124 VanDerWaalsContact C-N 3.35Å; M124-Y142 HydrophobicContact CG-CD2 4.36Å; M124-Y142 HydrophobicContact CG-CE2 4.09Å
125R96.7Very high95Very high135 Ų13574.5 Ų74.551%0.50936%0.357SS..EExtended strand (participates in β ladder)trans-83146.7167.6-72.4-174.4-65.61734.9110.8H46 T118 P122H46-R125 CarbonylContact O-C 3.57Å; H46-R125 WeakPolarHBondContact O-CA 3.42Å; T118-R125 HydrophobicContact CG2-CG 3.43Å; T118-R125 VanDerWaalsContact CG2-CG 3.43Å; P122-R125 PolarHBondContact O-NE 3.23Å
126S95.3Very high94.9Very high17 Ų1770.7 Ų70.712%0.11934%0.34CS..EExtended strand (participates in β ladder)trans-140.4155.4176.4-170.10000110.2S45 H46 K128S45-S126 CarbonylContact C-O 3.5Å; S45-S126 WeakPolarHBondContact CA-O 3.28Å; S45-S126 PolarHBondContact OG-O 3.23Å; H46-S126 PolarHBondContact N-O 3.25Å; H46-S126 PolarHBondContact ND1-O 2.95Å; H46-S126 PolarHBondContact O-N 3.16Å; S126-K128 WeakPolarHBondContact OG-CB 3.49Å; S126-K128 PolarHBondContact OG-N 2.86Å
127D93Very high94.7Very high123 Ų12374.9 Ų74.966%0.65836%0.357SS*.  trans-113.7-0.3162.256.51.7000111.3T129D127-T129 PolarHBondContact O-N 3.2Å
128K94.9Very high94.4Very high73 Ų7379 Ų7932%0.31739%0.386SS..  trans-77.4107.1178.5-177.3172.8-179.9168.20111.7H46 S126 L130 Y131 E135H46-K128 PolarHBondContact NE2-O 2.87Å; S126-K128 WeakPolarHBondContact OG-CB 3.49Å; S126-K128 PolarHBondContact OG-N 2.86Å; K128-L130 WeakPolarHBondContact CE-O 3.37Å; K128-L130 WeakPolarHBondContact CG-O 3.17Å; K128-L130 PolarHBondContact O-N 3.22Å; K128-Y131 HydrophobicContact CB-CE2 4.36Å; K128-Y131 HydrophobicContact CD-CD1 4.41Å; K128-Y131 HydrophobicContact CD-CE1 4.13Å; K128-Y131 HydrophobicContact CD-CE2 4.27Å; K128-Y131 HydrophobicContact CG-CE2 4.2Å; K128-E135 WeakPolarHBondContact CE-OE2 3.33Å; K128-E135 IonicContact NZ-OE1 3.08Å; K128-E135 PolarHBondContact NZ-OE1 3.05Å; K128-E135 IonicContact NZ-OE2 3.31Å; K128-E135 PolarHBondContact NZ-OE2 3.24Å
129T88.9Confident94.2Very high80 Ų8079.5 Ų79.549%0.49139%0.387SS..  trans-75-23.6-173.459.10000115.3Y42 D127Y42-T129 HydrophobicContact CE1-CG2 3.81Å; Y42-T129 WeakPolarHBondContact OH-CA 3.16Å; Y42-T129 PolarHBondContact OH-O 3.15Å; D127-T129 PolarHBondContact O-N 3.2Å
130L87.8Confident94Very high110 Ų11074.7 Ų74.758%0.57638%0.381SS*.  trans-139.3131.9-177.1-177.467000110.3K128K128-L130 WeakPolarHBondContact CE-O 3.37Å; K128-L130 WeakPolarHBondContact CG-O 3.17Å; K128-L130 PolarHBondContact O-N 3.22Å
131Y91.9Very high93.9Very high46 Ų4671.6 Ų71.618%0.1837%0.366CS..  trans-107.8128.4168.3-70.5-105.3000108.6T49 K128 E135 L136 F139T49-Y131 HydrophobicContact CG2-CD2 4.32Å; T49-Y131 HydrophobicContact CG2-CE1 4.38Å; T49-Y131 HydrophobicContact CG2-CE2 4.12Å; K128-Y131 HydrophobicContact CB-CE2 4.36Å; K128-Y131 HydrophobicContact CD-CD1 4.41Å; K128-Y131 HydrophobicContact CD-CE1 4.13Å; K128-Y131 HydrophobicContact CD-CE2 4.27Å; K128-Y131 HydrophobicContact CG-CE2 4.2Å; Y131-E135 HydrophobicContact CD1-CB 4.5Å; Y131-L136 HydrophobicContact CD1-CD2 3.88Å; Y131-L136 HydrophobicContact CG-CD2 3.85Å; Y131-F139 HydrophobicContact CE1-CD2 4.19Å; Y131-F139 AromaticContact CE1-CE2 3.94Å; Y131-F139 HydrophobicContact CE1-CE2 3.94Å
132L93.4Very high93.9Very high98 Ų9872.8 Ų72.851%0.51337%0.37SS..  trans-73.9152.6169.5-58.4174.2000109.5R134 E135 L136L132-R134 VanDerWaalsContact C-N 3.28Å; L132-R134 PolarHBondContact O-N 3.34Å; L132-E135 HydrophobicContact CB-CG 4.04Å; L132-E135 PolarHBondContact N-OE2 3.17Å; L132-E135 WeakPolarHBondContact O-CA 3.15Å; L132-E135 WeakPolarHBondContact O-CB 3.46Å; L132-E135 PolarHBondContact O-N 3.23Å; L132-L136 PolarHBondContact O-N 2.99Å
133P91.8Very high93.9Very high93 Ų9370 Ų7060%0.60435%0.352SS*.Hα-helixtrans-50.5-44.7179.3-30.336000113.8E135 L136 E137P133-E135 PolarHBondContact O-N 2.93Å; P133-L136 PolarHBondContact O-N 2.98Å; P133-E137 WeakPolarHBondContact O-CG 3.18Å; P133-E137 PolarHBondContact O-N 3.05Å
134R94Very high94Very high205 Ų20568.7 Ų68.777%0.77435%0.347SS*.Hα-helixtrans-60.8-30.5176.5-67.8-176.1-178.9178.60.4113.8L132 S138L132-R134 VanDerWaalsContact C-N 3.28Å; L132-R134 PolarHBondContact O-N 3.34Å; R134-S138 PolarHBondContact O-N 3.36Å; R134-S138 PolarHBondContact O-OG 3.2Å
135E95.1Very high94Very high67 Ų6768.8 Ų68.831%0.31335%0.348SS..Hα-helixtrans-76.3-30.5177.7-59.1-179.7121.400111.4K128 Y131 L132 P133 F139K128-E135 WeakPolarHBondContact CE-OE2 3.33Å; K128-E135 IonicContact NZ-OE1 3.08Å; K128-E135 PolarHBondContact NZ-OE1 3.05Å; K128-E135 IonicContact NZ-OE2 3.31Å; K128-E135 PolarHBondContact NZ-OE2 3.24Å; Y131-E135 HydrophobicContact CD1-CB 4.5Å; L132-E135 HydrophobicContact CB-CG 4.04Å; L132-E135 PolarHBondContact N-OE2 3.17Å; L132-E135 WeakPolarHBondContact O-CA 3.15Å; L132-E135 WeakPolarHBondContact O-CB 3.46Å; L132-E135 PolarHBondContact O-N 3.23Å; P133-E135 PolarHBondContact O-N 2.93Å; E135-F139 PolarHBondContact O-N 3.31Å
136L94.2Very high94Very high32 Ų3262.4 Ų62.417%0.16832%0.324CS..Hα-helixtrans-74.6-39.3172.4-63.2174.4000111.7I25 T49 Y131 L132 P133 S138 F139I25-L136 HydrophobicContact CD1-CD2 4.47Å; T49-L136 HydrophobicContact CG2-CD2 3.96Å; Y131-L136 HydrophobicContact CD1-CD2 3.88Å; Y131-L136 HydrophobicContact CG-CD2 3.85Å; L132-L136 PolarHBondContact O-N 2.99Å; P133-L136 PolarHBondContact O-N 2.98Å; L136-S138 PolarHBondContact O-N 2.84Å; L136-F139 WeakPolarHBondContact O-CB 3.31Å; L136-F139 PolarHBondContact O-N 2.89Å; L136-F139 VanDerWaalsContact O-N 3.15Å
137E94Very high94.1Very high121 Ų12162.3 Ų62.357%0.56532%0.322SS*.Hα-helixtrans-60.5-34.6175.3-71.8167.7-175.300112.4P133P133-E137 WeakPolarHBondContact O-CG 3.18Å; P133-E137 PolarHBondContact O-N 3.05Å
138S93.4Very high94.1Very high87 Ų8759.6 Ų59.661%0.60831%0.311SS*.THydrogen-bonded Turntrans-98.313.8178.257.40000113.6R134 L136 S140R134-S138 PolarHBondContact O-N 3.36Å; R134-S138 PolarHBondContact O-OG 3.2Å; L136-S138 PolarHBondContact O-N 2.84Å; S138-S140 PolarHBondContact O-N 3.06Å
139F93.5Very high94Very high28 Ų2860.6 Ų60.612%0.12332%0.32CS..  trans-59.7132.8-176.6-168.1-91.7000111.4V23 I25 I48 T49 Y131 E135 L136 T141V23-F139 HydrophobicContact CG1-CB 4.36Å; V23-F139 HydrophobicContact CG1-CD1 4.43Å; V23-F139 HydrophobicContact CG2-CB 4.43Å; V23-F139 WeakPolarHBondContact CG2-O 3.35Å; I25-F139 HydrophobicContact CD1-CB 4.4Å; I25-F139 HydrophobicContact CD1-CD1 3.69Å; I25-F139 HydrophobicContact CD1-CD2 4.07Å; I25-F139 HydrophobicContact CD1-CE1 3.93Å; I25-F139 HydrophobicContact CD1-CE2 4.3Å; I25-F139 HydrophobicContact CD1-CG 3.78Å; I25-F139 HydrophobicContact CD1-CZ 4.25Å; I48-F139 HydrophobicContact CD1-CE1 4.17Å; I48-F139 HydrophobicContact CD1-CZ 3.57Å; T49-F139 HydrophobicContact CG2-CE2 4.19Å; Y131-F139 HydrophobicContact CE1-CD2 4.19Å; Y131-F139 AromaticContact CE1-CE2 3.94Å; Y131-F139 HydrophobicContact CE1-CE2 3.94Å; E135-F139 PolarHBondContact O-N 3.31Å; L136-F139 WeakPolarHBondContact O-CB 3.31Å; L136-F139 PolarHBondContact O-N 2.89Å; L136-F139 VanDerWaalsContact O-N 3.15Å; F139-T141 HydrophobicContact CD1-CG2 4.3Å; F139-T141 PolarHBondContact O-N 3.35Å
140S92.6Very high94.3Very high82 Ų8257.7 Ų57.757%0.57330%0.302SS*.  trans-87.7106.5176.6-64.40000109.6S138S138-S140 PolarHBondContact O-N 3.06Å
141T95.5Very high94.8Very high9 Ų952.4 Ų52.46%0.05527%0.274CS..PPolyproline II helixtrans-75.8155.1177.553.30000111.8K19 V23 F139 H158K19-T141 HydrophobicContact CB-CG2 4.48Å; V23-T141 HydrophobicContact CB-CG2 4.41Å; V23-T141 HydrophobicContact CG1-CG2 3.53Å; V23-T141 HydrophobicContact CG2-CG2 4Å; F139-T141 HydrophobicContact CD1-CG2 4.3Å; F139-T141 PolarHBondContact O-N 3.35Å; T141-H158 PolarHBondContact O-CD2 3.21Å; T141-H158 PolarHBondContact O-NE2 3.22Å; T141-H158 VanDerWaalsContact O-NE2 3.14Å; T141-H158 PolarHBondContact OG1-NE2 2.99Å
142Y96.5Very high95.1Very high33 Ų3350.3 Ų50.313%0.12927%0.266CS..PPolyproline II helixtrans-87.7160.5162.8-65.1-92.5000110.6Y13 N17 Y123 M124 L164 M168Y13-Y142 WeakPolarHBondContact OH-CB 3.38Å; N17-Y142 WeakPolarHBondContact CB-O 2.93Å; N17-Y142 PolarHBondContact OD1-N 3.03Å; Y123-Y142 HydrophobicContact CD2-CD1 4.06Å; Y123-Y142 HydrophobicContact CD2-CD2 4.44Å; Y123-Y142 AromaticContact CD2-CE1 3.5Å; Y123-Y142 HydrophobicContact CD2-CE1 3.5Å; Y123-Y142 VanDerWaalsContact CD2-CE1 3.5Å; Y123-Y142 AromaticContact CD2-CE2 3.91Å; Y123-Y142 HydrophobicContact CD2-CE2 3.91Å; Y123-Y142 AromaticContact CD2-CZ 3.41Å; Y123-Y142 VanDerWaalsContact CD2-CZ 3.41Å; Y123-Y142 AromaticContact CE2-CD1 3.89Å; Y123-Y142 HydrophobicContact CE2-CD1 3.89Å; Y123-Y142 HydrophobicContact CE2-CD2 4.38Å; Y123-Y142 AromaticContact CE2-CE1 3.81Å; Y123-Y142 HydrophobicContact CE2-CE1 3.81Å; Y123-Y142 HydrophobicContact CE2-CE2 4.3Å; Y123-Y142 HydrophobicContact CE2-CG 4.19Å; Y123-Y142 HydrophobicContact CG-CE1 4.32Å; Y123-Y142 PolarHBondContact O-OH 2.97Å; M124-Y142 HydrophobicContact CG-CD2 4.36Å; M124-Y142 HydrophobicContact CG-CE2 4.09Å; Y142-L164 HydrophobicContact CD1-CD1 3.62Å; Y142-L164 HydrophobicContact CD1-CG 3.83Å; Y142-L164 HydrophobicContact CE1-CD1 4.22Å; Y142-L164 HydrophobicContact CE1-CG 4.22Å; Y142-L164 HydrophobicContact CG-CD1 4.36Å; Y142-M168 HydrophobicContact CD1-CG 4.44Å; Y142-M168 HydrophobicContact CD1-SD 3.69Å; Y142-M168 HydrophobicContact CG-SD 4.42Å
143P96.5Very high95.2Very high0 Ų045.7 Ų45.70%024%0.242CC..PPolyproline II helixtrans-50.8143.5168.1-3034.1000113Y13 Y152 I153 H158 L164 M168 L225Y13-P143 WeakPolarHBondContact CE1-O 3.49Å; Y13-P143 PolarHBondContact OH-O 3.19Å; P143-Y152 HydrophobicContact CB-CD1 4.31Å; P143-Y152 HydrophobicContact CB-CG 4.4Å; P143-I153 CarbonylContact C-O 3.53Å; P143-I153 VanDerWaalsContact CA-O 3.27Å; P143-I153 WeakPolarHBondContact CA-O 3.46Å; P143-I153 WeakPolarHBondContact CB-O 3.45Å; P143-H158 HydrophobicContact CG-CB 3.77Å; P143-L164 VanDerWaalsContact CD-CD1 3.49Å; P143-L164 HydrophobicContact CG-CD1 4.39Å; P143-L164 HydrophobicContact CG-CD2 3.97Å; P143-M168 HydrophobicContact CB-CE 4.43Å; P143-M168 HydrophobicContact CG-CE 4.46Å; P143-M168 HydrophobicContact CG-SD 4.41Å; P143-L225 HydrophobicContact CB-CD1 3.72Å; P143-L225 HydrophobicContact CG-CD1 3.68Å
144L97.4Very high95.4Very high3 Ų341.2 Ų41.22%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-66.9135.6172.4-65.8178.6000109.8N14 N17 Y152 I153 I231 I261 C262N14-L144 HydrophobicContact CB-CD2 4.44Å; N17-L144 HydrophobicContact CB-CD2 4.18Å; L144-Y152 CarbonylContact O-C 3.57Å; L144-Y152 WeakPolarHBondContact O-CA 3.46Å; L144-I153 PolarHBondContact N-O 3.14Å; L144-I153 PolarHBondContact O-N 2.69Å; L144-I231 HydrophobicContact CD1-CD1 3.9Å; L144-I261 HydrophobicContact CB-CG2 4.36Å; L144-C262 HydrophobicContact CD1-CB 3.69Å
145E97.4Very high95.3Very high3 Ų332.7 Ų32.71%0.01418%0.183CC..EExtended strand (participates in β ladder)trans-89.8110.3179.8-173.7173.1-108.700109.6S10 Y13 N14 Y121 P148 Y152 I261S10-E145 VanDerWaalsContact CB-OE2 3.29Å; S10-E145 WeakPolarHBondContact CB-OE2 3.39Å; Y13-E145 HydrophobicContact CD1-CB 3.72Å; Y13-E145 HydrophobicContact CE1-CB 3.63Å; N14-E145 PolarHBondContact ND2-O 3.19Å; N14-E145 PolarHBondContact OD1-N 2.93Å; Y121-E145 PolarHBondContact OH-OE2 2.67Å; E145-P148 VanDerWaalsContact CD-CA 3.47Å; E145-P148 WeakPolarHBondContact OE1-CA 3.44Å; E145-Y152 HydrophobicContact CB-CD1 3.86Å; E145-Y152 HydrophobicContact CB-CE1 3.53Å; E145-Y152 HydrophobicContact CG-CD1 4.14Å; E145-Y152 HydrophobicContact CG-CE1 3.49Å; E145-Y152 VanDerWaalsContact CG-CE1 3.49Å; E145-Y152 WeakPolarHBondContact OE1-CE1 3.49Å; E145-Y152 PolarHBondContact OE1-OH 2.61Å; E145-I261 WeakPolarHBondContact O-CG2 3.37Å
146V97.9Very high95.1Very high1 Ų132.1 Ų32.11%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-81.8-47.7174.1176.30000109.9L151 I153 A239 L243 Y257 L258V146-L151 HydrophobicContact CB-CB 4.3Å; V146-L151 HydrophobicContact CB-CD2 4.23Å; V146-L151 HydrophobicContact CB-CG 4.19Å; V146-L151 HydrophobicContact CG1-CD2 4.06Å; V146-L151 PolarHBondContact N-O 2.91Å; V146-I153 HydrophobicContact CG2-CD1 3.45Å; V146-I153 VanDerWaalsContact CG2-CD1 3.45Å; V146-I153 HydrophobicContact CG2-CG1 3.65Å; V146-A239 HydrophobicContact CG1-CB 4.4Å; V146-A239 HydrophobicContact CG2-CB 4.2Å; V146-L243 HydrophobicContact CG1-CD1 4.48Å; V146-L243 HydrophobicContact CG1-CD2 4.39Å; V146-Y257 HydrophobicContact CG1-CE1 4.42Å; V146-Y257 PolarHBondContact O-OH 3.21Å; V146-L258 HydrophobicContact CB-CD2 4.36Å; V146-L258 HydrophobicContact CG1-CD2 3.64Å; V146-L258 HydrophobicContact CG2-CD2 4.01Å
147L96.9Very high95Very high15 Ų1535.3 Ų35.38%0.07920%0.196CC..EExtended strand (participates in β ladder)trans-133.1126.5175.4-70.6172.5000109.2N149 V150 L151 Y242 L243 E247L147-N149 PolarHBondContact O-N 3.05Å; L147-V150 HydrophobicContact CB-CB 3.88Å; L147-V150 HydrophobicContact CB-CG1 4.31Å; L147-V150 HydrophobicContact CD1-CG1 4.39Å; L147-V150 PolarHBondContact O-N 3.02Å; L147-L151 HydrophobicContact CB-CB 4.22Å; L147-L151 PolarHBondContact N-O 2.7Å; L147-L151 VanDerWaalsContact N-O 3.14Å; L147-L151 PolarHBondContact O-N 3.28Å; L147-Y242 HydrophobicContact CD1-CD1 4Å; L147-Y242 HydrophobicContact CD1-CE1 3.51Å; L147-L243 HydrophobicContact CD1-CD2 4.37Å; L147-L243 HydrophobicContact CD2-CD2 4.34Å; L147-L243 HydrophobicContact CG-CD2 4.42Å; L147-E247 HydrophobicContact CD1-CG 4.05Å; L147-E247 HydrophobicContact CD2-CG 4.43Å
148P93.6Very high95Very high65 Ų6530.1 Ų30.142%0.42217%0.172SC..THydrogen-bonded Turntrans-54.7126.2-175.9-27.934.6000113.8E145 V150E145-P148 VanDerWaalsContact CD-CA 3.47Å; E145-P148 WeakPolarHBondContact OE1-CA 3.44Å; P148-V150 PolarHBondContact O-N 3.18Å
149N91.2Very high94.9Very high95 Ų9526.1 Ų26.151%0.50814%0.144SC..THydrogen-bonded Turntrans54.826.5-177.7-55.2-61.9000114.6L147 Y152 C223L147-N149 PolarHBondContact O-N 3.05Å; N149-Y152 PolarHBondContact N-OH 2.8Å; N149-C223 PolarHBondContact O-SG 3.23Å
150V96Very high94.8Very high18 Ų1827.8 Ų27.811%0.10916%0.159CC..THydrogen-bonded Turntrans-133.6-58.8-178.8174.70000111L147 P148 R218 V224L147-V150 HydrophobicContact CB-CB 3.88Å; L147-V150 HydrophobicContact CB-CG1 4.31Å; L147-V150 HydrophobicContact CD1-CG1 4.39Å; L147-V150 PolarHBondContact O-N 3.02Å; P148-V150 PolarHBondContact O-N 3.18Å; V150-R218 HydrophobicContact CG1-CB 3.98Å; V150-R218 HydrophobicContact CG1-CG 3.72Å; V150-R218 HydrophobicContact CG2-CG 3.97Å; V150-V224 PolarHBondContact O-N 3.4Å
151L98Very high94.7Very high0 Ų027 Ų270%015%0.149CC..EExtended strand (participates in β ladder)trans-136126.1-167.6-172.662.2000111.6V146 L147 I214 V224 I226 A239 Y242V146-L151 HydrophobicContact CB-CB 4.3Å; V146-L151 HydrophobicContact CB-CD2 4.23Å; V146-L151 HydrophobicContact CB-CG 4.19Å; V146-L151 HydrophobicContact CG1-CD2 4.06Å; V146-L151 PolarHBondContact N-O 2.91Å; L147-L151 HydrophobicContact CB-CB 4.22Å; L147-L151 PolarHBondContact N-O 2.7Å; L147-L151 VanDerWaalsContact N-O 3.14Å; L147-L151 PolarHBondContact O-N 3.28Å; L151-I214 HydrophobicContact CD1-CD1 4.12Å; L151-I214 HydrophobicContact CD1-CG1 4.47Å; L151-I214 HydrophobicContact CD1-CG2 4.04Å; L151-V224 HydrophobicContact CD1-CB 4.13Å; L151-V224 HydrophobicContact CD1-CG1 4.39Å; L151-I226 HydrophobicContact CD1-CD1 3.78Å; L151-I226 HydrophobicContact CD1-CG1 3.82Å; L151-I226 HydrophobicContact CD2-CD1 4.24Å; L151-I226 HydrophobicContact CG-CD1 4.21Å; L151-A239 HydrophobicContact CD2-CB 4.44Å; L151-Y242 HydrophobicContact CD2-CD1 3.87Å; L151-Y242 HydrophobicContact CD2-CG 4.24Å
152Y97.6Very high94.5Very high1 Ų134.8 Ų34.80%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-126150.3178.9-63.7-87.8000111.7P143 L144 E145 N149 M168 C223 V224 I226P143-Y152 HydrophobicContact CB-CD1 4.31Å; P143-Y152 HydrophobicContact CB-CG 4.4Å; L144-Y152 CarbonylContact O-C 3.57Å; L144-Y152 WeakPolarHBondContact O-CA 3.46Å; E145-Y152 HydrophobicContact CB-CD1 3.86Å; E145-Y152 HydrophobicContact CB-CE1 3.53Å; E145-Y152 HydrophobicContact CG-CD1 4.14Å; E145-Y152 HydrophobicContact CG-CE1 3.49Å; E145-Y152 VanDerWaalsContact CG-CE1 3.49Å; E145-Y152 WeakPolarHBondContact OE1-CE1 3.49Å; E145-Y152 PolarHBondContact OE1-OH 2.61Å; N149-Y152 PolarHBondContact N-OH 2.8Å; Y152-M168 HydrophobicContact CD1-CE 3.32Å; Y152-M168 HydrophobicContact CD2-CE 4.23Å; Y152-M168 HydrophobicContact CE1-CE 3.22Å; Y152-M168 HydrophobicContact CE2-CE 4.15Å; Y152-M168 HydrophobicContact CG-CE 3.86Å; Y152-C223 HydrophobicContact CD2-CB 4.45Å; Y152-C223 HydrophobicContact CE2-CB 4.17Å; Y152-V224 PolarHBondContact N-O 3.46Å; Y152-I226 PolarHBondContact O-N 2.84Å
153I96.7Very high94.3Very high1 Ų139.4 Ų39.41%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-112.7126.4173.1-65.6172000109.1P143 L144 V146 I226 I231 S235 I236 A239P143-I153 CarbonylContact C-O 3.53Å; P143-I153 VanDerWaalsContact CA-O 3.27Å; P143-I153 WeakPolarHBondContact CA-O 3.46Å; P143-I153 WeakPolarHBondContact CB-O 3.45Å; L144-I153 PolarHBondContact N-O 3.14Å; L144-I153 PolarHBondContact O-N 2.69Å; V146-I153 HydrophobicContact CG2-CD1 3.45Å; V146-I153 VanDerWaalsContact CG2-CD1 3.45Å; V146-I153 HydrophobicContact CG2-CG1 3.65Å; I153-I226 HydrophobicContact CG1-CD1 4.26Å; I153-I231 HydrophobicContact CG2-CB 3.92Å; I153-I231 HydrophobicContact CG2-CG2 4.22Å; I153-S235 VanDerWaalsContact CG2-CB 3.47Å; I153-I236 HydrophobicContact CD1-CD1 3.96Å; I153-A239 HydrophobicContact CD1-CB 3.78Å; I153-A239 HydrophobicContact CG1-CB 4.4Å
154G95Very high94.2Very high0 Ų039.6 Ų39.60%020%0.199CC..EExtended strand (participates in β ladder)trans-147.4-178.3-179.900000114.5H158 I226 S228G154-H158 WeakPolarHBondContact CA-ND1 3.34Å; G154-I226 PolarHBondContact N-O 2.88Å; G154-S228 PolarHBondContact O-N 3.01Å
155T92.7Very high94Very high25 Ų2541 Ų4115%0.15321%0.205CC..EExtended strand (participates in β ladder)trans-106.3175.517864.30000111.1Q157 H158 A159 S228 I231T155-Q157 PolarHBondContact O-N 3.05Å; T155-Q157 PolarHBondContact OG1-N 3.42Å; T155-H158 PolarHBondContact N-ND1 3.15Å; T155-H158 PolarHBondContact O-N 2.9Å; T155-A159 PolarHBondContact O-N 3.21Å; T155-S228 VanDerWaalsContact CA-O 3.31Å; T155-S228 WeakPolarHBondContact CA-O 3.26Å; T155-I231 HydrophobicContact CG2-CG2 3.59Å
156I91.4Very high93.7Very high55 Ų5549.9 Ų49.928%0.28224%0.239SC..Hα-helixtrans-51.2-38.9169.1-62.7171.6000111.6H158 A159 S160 A177 L178 V227 N229I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 3.15Å; I156-A159 WeakPolarHBondContact O-CB 3.35Å; I156-A159 PolarHBondContact O-N 3.13Å; I156-A159 VanDerWaalsContact O-N 3.14Å; I156-S160 PolarHBondContact O-N 2.79Å; I156-S160 PolarHBondContact O-OG 2.89Å; I156-A177 HydrophobicContact CD1-CB 4Å; I156-A177 HydrophobicContact CG1-CB 3.86Å; I156-L178 HydrophobicContact CB-CD2 4.39Å; I156-L178 HydrophobicContact CD1-CD2 3.65Å; I156-L178 HydrophobicContact CD1-CG 4.29Å; I156-L178 HydrophobicContact CG1-CD1 4.5Å; I156-L178 HydrophobicContact CG1-CD2 3.77Å; I156-L178 HydrophobicContact CG1-CG 3.97Å; I156-L178 HydrophobicContact CG2-CD1 4.28Å; I156-L178 HydrophobicContact CG2-CD2 3.76Å; I156-L178 HydrophobicContact CG2-CG 4.38Å; I156-V227 HydrophobicContact CG1-CG1 4.44Å; I156-N229 WeakPolarHBondContact CD1-OD1 3.33Å
157Q91.5Very high93.5Very high99 Ų9952.7 Ų52.746%0.46325%0.251SS..Hα-helixtrans-58.5-45178.4-173.9178.6300111T155 S160 D161T155-Q157 PolarHBondContact O-N 3.05Å; T155-Q157 PolarHBondContact OG1-N 3.42Å; Q157-S160 PolarHBondContact O-N 3.31Å; Q157-S160 PolarHBondContact O-OG 3.25Å; Q157-D161 PolarHBondContact O-N 2.88Å
158H93.9Very high93.3Very high12 Ų1252.1 Ų52.16%0.05625%0.249CC..Hα-helixtrans-65.9-41.9176-55151.7000111.6T141 P143 G154 T155 I156 S160 D161 H165 L225T141-H158 PolarHBondContact O-CD2 3.21Å; T141-H158 PolarHBondContact O-NE2 3.22Å; T141-H158 VanDerWaalsContact O-NE2 3.14Å; T141-H158 PolarHBondContact OG1-NE2 2.99Å; P143-H158 HydrophobicContact CG-CB 3.77Å; G154-H158 WeakPolarHBondContact CA-ND1 3.34Å; T155-H158 PolarHBondContact N-ND1 3.15Å; T155-H158 PolarHBondContact O-N 2.9Å; I156-H158 VanDerWaalsContact C-N 3.31Å; I156-H158 PolarHBondContact O-N 3.15Å; H158-S160 PolarHBondContact O-N 3.21Å; H158-D161 PolarHBondContact O-N 2.94Å; H158-D161 VanDerWaalsContact O-N 3.13Å; H158-H165 PolarHBondContact O-CE1 3.38Å; H158-H165 VanDerWaalsContact O-CE1 3.22Å; H158-L225 HydrophobicContact CB-CD2 4.4Å
159A92Very high93.2Very high3 Ų354.1 Ų54.13%0.02526%0.256CS..Hα-helixtrans-60.2-32.1177.400000112.6T155 I156 H165 I184 V227T155-A159 PolarHBondContact O-N 3.21Å; I156-A159 WeakPolarHBondContact O-CB 3.35Å; I156-A159 PolarHBondContact O-N 3.13Å; I156-A159 VanDerWaalsContact O-N 3.14Å; A159-H165 PolarHBondContact O-CE1 2.91Å; A159-I184 VanDerWaalsContact O-CG2 3.28Å; A159-I184 WeakPolarHBondContact O-CG2 3.07Å; A159-V227 HydrophobicContact CB-CG1 3.83Å; A159-V227 HydrophobicContact CB-CG2 3.8Å
160S90Very high93.3Very high64 Ų6450 Ų5045%0.44823%0.233SC..Hα-helixtrans-79.5-14.717873.30000114.7I156 Q157 H158 R162I156-S160 PolarHBondContact O-N 2.79Å; I156-S160 PolarHBondContact O-OG 2.89Å; Q157-S160 PolarHBondContact O-N 3.31Å; Q157-S160 PolarHBondContact O-OG 3.25Å; H158-S160 PolarHBondContact O-N 3.21Å; S160-R162 PolarHBondContact O-N 3.29Å
161D92Very high93.1Very high65 Ų6551.7 Ų51.735%0.34824%0.244SC..  trans-88.395.8-174.4-172.1-19.5000112.4Q157 H158 K163 L164 H165Q157-D161 PolarHBondContact O-N 2.88Å; H158-D161 PolarHBondContact O-N 2.94Å; H158-D161 VanDerWaalsContact O-N 3.13Å; D161-K163 PolarHBondContact O-N 3.27Å; D161-K163 WeakPolarHBondContact OD1-CA 3.08Å; D161-K163 VanDerWaalsContact OD1-CB 3.28Å; D161-K163 WeakPolarHBondContact OD1-CB 3.44Å; D161-K163 PolarHBondContact OD1-N 3.18Å; D161-L164 HydrophobicContact CB-CB 3.79Å; D161-L164 WeakPolarHBondContact O-CB 3.41Å; D161-L164 PolarHBondContact O-N 3Å; D161-L164 PolarHBondContact OD1-N 2.85Å; D161-H165 PolarHBondContact O-N 3.38Å; D161-H165 PolarHBondContact O-ND1 3.3Å
162R90.7Very high92.9Very high172 Ų17251.7 Ų51.765%0.64924%0.244SC*.Hα-helixtrans-61.8-27.4178-64.9-176.5178.6-172.7-1.1114.1S160 R166S160-R162 PolarHBondContact O-N 3.29Å; R162-R166 WeakPolarHBondContact O-CG 3.31Å; R162-R166 PolarHBondContact O-N 3.18Å
163K92.8Very high92.8Very high131 Ų13151.8 Ų51.857%0.5724%0.244SC*.Hα-helixtrans-71.1-45178.3-178.6-172171.8-171.50109.3D161 H165 R166 Q167D161-K163 PolarHBondContact O-N 3.27Å; D161-K163 WeakPolarHBondContact OD1-CA 3.08Å; D161-K163 VanDerWaalsContact OD1-CB 3.28Å; D161-K163 WeakPolarHBondContact OD1-CB 3.44Å; D161-K163 PolarHBondContact OD1-N 3.18Å; K163-H165 VanDerWaalsContact C-N 3.33Å; K163-H165 PolarHBondContact O-N 2.72Å; K163-R166 PolarHBondContact O-N 3.25Å; K163-Q167 HydrophobicContact CG-CG 4.5Å; K163-Q167 WeakPolarHBondContact O-CG 3.2Å; K163-Q167 PolarHBondContact O-N 2.77Å
164L93.9Very high92.7Very high4 Ų451.8 Ų51.82%0.02124%0.244CC..Hα-helixtrans-57.1-45.5176.4-173149.1000111.8Y142 P143 D161 R166 Q167 M168 I170Y142-L164 HydrophobicContact CD1-CD1 3.62Å; Y142-L164 HydrophobicContact CD1-CG 3.83Å; Y142-L164 HydrophobicContact CE1-CD1 4.22Å; Y142-L164 HydrophobicContact CE1-CG 4.22Å; Y142-L164 HydrophobicContact CG-CD1 4.36Å; P143-L164 VanDerWaalsContact CD-CD1 3.49Å; P143-L164 HydrophobicContact CG-CD1 4.39Å; P143-L164 HydrophobicContact CG-CD2 3.97Å; D161-L164 HydrophobicContact CB-CB 3.79Å; D161-L164 WeakPolarHBondContact O-CB 3.41Å; D161-L164 PolarHBondContact O-N 3Å; D161-L164 PolarHBondContact OD1-N 2.85Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.98Å; L164-Q167 PolarHBondContact O-N 3.35Å; L164-Q167 VanDerWaalsContact O-N 3.12Å; L164-M168 HydrophobicContact CD1-SD 4.43Å; L164-M168 HydrophobicContact CD2-CG 4.45Å; L164-M168 HydrophobicContact CD2-SD 3.54Å; L164-M168 VanDerWaalsContact CD2-SD 3.54Å; L164-M168 HydrophobicContact CG-SD 3.78Å; L164-M168 PolarHBondContact O-N 3.36Å; L164-I170 HydrophobicContact CD2-CD1 3.66Å
165H92.4Very high92.6Very high31 Ų3151.9 Ų51.914%0.14425%0.245CC..Hα-helixtrans-57.3-42.9177.9-73.671.1000112.7H158 A159 D161 K163 N169 I170 H173H158-H165 PolarHBondContact O-CE1 3.38Å; H158-H165 VanDerWaalsContact O-CE1 3.22Å; A159-H165 PolarHBondContact O-CE1 2.91Å; D161-H165 PolarHBondContact O-N 3.38Å; D161-H165 PolarHBondContact O-ND1 3.3Å; K163-H165 VanDerWaalsContact C-N 3.33Å; K163-H165 PolarHBondContact O-N 2.72Å; H165-N169 WeakPolarHBondContact O-CA 3.43Å; H165-N169 PolarHBondContact O-N 2.88Å; H165-I170 PolarHBondContact O-N 3.23Å; H165-I170 VanDerWaalsContact O-N 3.07Å; H165-H173 AromaticContact CD2-CE1 3.76Å; H165-H173 AromaticContact CD2-NE2 3.65Å; H165-H173 AromaticContact CE1-NE2 3.96Å; H165-H173 AromaticContact NE2-CE1 3.38Å; H165-H173 PolarHBondContact NE2-CE1 3.44Å; H165-H173 AromaticContact NE2-NE2 2.85Å; H165-H173 PolarHBondContact NE2-NE2 3.5Å
166R91.8Very high92.5Very high191 Ų19151.4 Ų51.472%0.72124%0.24SC*.Hα-helixtrans-68.2-38.3177.3-67174.1-173154.60.3112.2R162 K163 L164R162-R166 WeakPolarHBondContact O-CG 3.31Å; R162-R166 PolarHBondContact O-N 3.18Å; K163-R166 PolarHBondContact O-N 3.25Å; L164-R166 VanDerWaalsContact C-N 3.3Å; L164-R166 PolarHBondContact O-N 2.98Å
167Q93.1Very high92.1Very high59 Ų5950 Ų5028%0.27624%0.237SC..Hα-helixtrans-70.2-33.6-178.6-73.2175.2-49.200112.5Y123 K163 L164Y123-Q167 VanDerWaalsContact CB-NE2 3.32Å; Y123-Q167 HydrophobicContact CD1-CB 3.82Å; Y123-Q167 WeakPolarHBondContact CD1-O 3.38Å; Y123-Q167 HydrophobicContact CE1-CB 4.48Å; Y123-Q167 WeakPolarHBondContact CE1-O 3.42Å; Y123-Q167 HydrophobicContact CG-CB 3.99Å; K163-Q167 HydrophobicContact CG-CG 4.5Å; K163-Q167 WeakPolarHBondContact O-CG 3.2Å; K163-Q167 PolarHBondContact O-N 2.77Å; L164-Q167 PolarHBondContact O-N 3.35Å; L164-Q167 VanDerWaalsContact O-N 3.12Å
168M92.8Very high91.5Very high4 Ų446.2 Ų46.22%0.0222%0.219CC..Hα-helixtrans-105.33.3-175.2-61.6-179.46700113.8Y13 Y123 Y142 P143 Y152 L164 I170Y13-M168 WeakPolarHBondContact OH-CE 3.23Å; Y123-M168 HydrophobicContact CE1-CG 4.07Å; Y123-M168 HydrophobicContact CE2-CG 4.28Å; Y142-M168 HydrophobicContact CD1-CG 4.44Å; Y142-M168 HydrophobicContact CD1-SD 3.69Å; Y142-M168 HydrophobicContact CG-SD 4.42Å; P143-M168 HydrophobicContact CB-CE 4.43Å; P143-M168 HydrophobicContact CG-CE 4.46Å; P143-M168 HydrophobicContact CG-SD 4.41Å; Y152-M168 HydrophobicContact CD1-CE 3.32Å; Y152-M168 HydrophobicContact CD2-CE 4.23Å; Y152-M168 HydrophobicContact CE1-CE 3.22Å; Y152-M168 HydrophobicContact CE2-CE 4.15Å; Y152-M168 HydrophobicContact CG-CE 3.86Å; L164-M168 HydrophobicContact CD1-SD 4.43Å; L164-M168 HydrophobicContact CD2-CG 4.45Å; L164-M168 HydrophobicContact CD2-SD 3.54Å; L164-M168 VanDerWaalsContact CD2-SD 3.54Å; L164-M168 HydrophobicContact CG-SD 3.78Å; L164-M168 PolarHBondContact O-N 3.36Å; M168-I170 HydrophobicContact CB-CD1 4.02Å; M168-I170 HydrophobicContact CB-CG1 3.91Å; M168-I170 HydrophobicContact CE-CD1 4.36Å; M168-I170 PolarHBondContact O-N 2.97Å; M168-I170 HydrophobicContact SD-CD1 4.2Å
169N91.5Very high90.8Very high106 Ų10651.7 Ų51.757%0.56725%0.249SC*.THydrogen-bonded Turntrans52.434.6-175-60-45000114H165 V171 C223H165-N169 WeakPolarHBondContact O-CA 3.43Å; H165-N169 PolarHBondContact O-N 2.88Å; N169-V171 PolarHBondContact O-N 3.35Å; N169-C223 VanDerWaalsContact O-CB 3.31Å; N169-C223 WeakPolarHBondContact O-CB 3.49Å
170I93.4Very high89.9Confident8 Ų854.8 Ų54.84%0.04127%0.266CS..EExtended strand (participates in β ladder)trans-73.7117.1175-62.6169.7000108L164 H165 M168 C223 L225L164-I170 HydrophobicContact CD2-CD1 3.66Å; H165-I170 PolarHBondContact O-N 3.23Å; H165-I170 VanDerWaalsContact O-N 3.07Å; M168-I170 HydrophobicContact CB-CD1 4.02Å; M168-I170 HydrophobicContact CB-CG1 3.91Å; M168-I170 HydrophobicContact CE-CD1 4.36Å; M168-I170 PolarHBondContact O-N 2.97Å; M168-I170 HydrophobicContact SD-CD1 4.2Å; I170-C223 HydrophobicContact CG1-CB 4.4Å; I170-L225 HydrophobicContact CD1-CB 4.24Å; I170-L225 HydrophobicContact CD1-CD1 4.42Å; I170-L225 HydrophobicContact CD1-CD2 4.31Å; I170-L225 HydrophobicContact CG2-CB 3.61Å
171V91.8Very high89.2Confident54 Ų5457.9 Ų57.933%0.32728%0.277SS..EExtended strand (participates in β ladder)trans-124.6-8-177.1-60.40000113N169 S191 H222 C223N169-V171 PolarHBondContact O-N 3.35Å; V171-S191 WeakPolarHBondContact O-CB 3.33Å; V171-S191 PolarHBondContact O-OG 3.25Å; V171-H222 HydrophobicContact CG2-CB 3.29Å; V171-C223 PolarHBondContact N-O 2.87Å; V171-C223 VanDerWaalsContact N-O 3.1Å
172A94.3Very high88.7Confident0 Ų056.6 Ų56.60%027%0.27CS..EExtended strand (participates in β ladder)trans-139.1155.7178.900000112.9S191 F213 K217 C223 V224 L225A172-S191 CarbonylContact C-O 3.59Å; A172-S191 WeakPolarHBondContact CA-O 3.46Å; A172-S191 VanDerWaalsContact CB-O 3.31Å; A172-S191 WeakPolarHBondContact CB-O 3.4Å; A172-F213 HydrophobicContact CB-CE1 4.22Å; A172-F213 HydrophobicContact CB-CZ 4.32Å; A172-K217 HydrophobicContact CB-CD 4.13Å; A172-K217 HydrophobicContact CB-CG 3.81Å; A172-C223 PolarHBondContact N-O 3.44Å; A172-V224 HydrophobicContact CB-CG2 4.2Å; A172-V224 CarbonylContact O-C 3.59Å; A172-V224 WeakPolarHBondContact O-CA 3.25Å; A172-L225 PolarHBondContact O-N 3.4Å
173H94.4Very high88.1Confident4 Ų452.4 Ų52.42%0.01927%0.265CS..EExtended strand (participates in β ladder)trans-134138.7-173.4-61.685.4000111.9H165 Y185 S191 M192 F193 L225H165-H173 AromaticContact CD2-CE1 3.76Å; H165-H173 AromaticContact CD2-NE2 3.65Å; H165-H173 AromaticContact CE1-NE2 3.96Å; H165-H173 AromaticContact NE2-CE1 3.38Å; H165-H173 PolarHBondContact NE2-CE1 3.44Å; H165-H173 AromaticContact NE2-NE2 2.85Å; H165-H173 PolarHBondContact NE2-NE2 3.5Å; H173-Y185 HydrophobicContact CB-CE1 3.94Å; H173-Y185 AromaticContact CG-CE1 3.79Å; H173-S191 PolarHBondContact N-O 3.27Å; H173-M192 HydrophobicContact CB-CG 4.44Å; H173-M192 CarbonylContact O-C 3.53Å; H173-M192 WeakPolarHBondContact O-CA 3.32Å; H173-F193 PolarHBondContact O-N 3.36Å; H173-L225 CarbonylContact C-O 3.46Å; H173-L225 VanDerWaalsContact CA-O 3.28Å; H173-L225 WeakPolarHBondContact CA-O 3.33Å
174I94.9Very high87.4Confident0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-100.5110.9157.6-48.9-57.7000106.4F193 I195 V210 F213 I214 V224 L225 I226 V227 I238I174-F193 CarbonylContact C-O 3.58Å; I174-F193 WeakPolarHBondContact CA-O 3.43Å; I174-F193 HydrophobicContact CD1-CB 3.69Å; I174-F193 HydrophobicContact CD1-CG 4.49Å; I174-I195 HydrophobicContact CG2-CD1 3.81Å; I174-I195 HydrophobicContact CG2-CG1 4.42Å; I174-V210 HydrophobicContact CD1-CG1 4.02Å; I174-V210 HydrophobicContact CG1-CG1 4.2Å; I174-V210 HydrophobicContact CG2-CG1 3.92Å; I174-F213 HydrophobicContact CD1-CD1 3.38Å; I174-F213 HydrophobicContact CD1-CE1 3.68Å; I174-F213 HydrophobicContact CD1-CG 4.34Å; I174-I214 HydrophobicContact CD1-CG1 3.97Å; I174-I214 HydrophobicContact CG1-CD1 4.26Å; I174-I214 HydrophobicContact CG1-CG1 4.1Å; I174-V224 HydrophobicContact CD1-CG1 4.23Å; I174-V224 HydrophobicContact CG1-CG1 3.93Å; I174-L225 PolarHBondContact N-O 2.92Å; I174-I226 HydrophobicContact CB-CB 4.44Å; I174-I226 HydrophobicContact CB-CG1 4.27Å; I174-I226 HydrophobicContact CB-CG2 4.21Å; I174-I226 HydrophobicContact CG1-CG1 4.14Å; I174-V227 PolarHBondContact O-N 3.23Å; I174-I238 HydrophobicContact CG2-CD1 4.01Å
175N92.7Very high86.7Confident2 Ų248.4 Ų48.41%0.01125%0.249CC..EExtended strand (participates in β ladder)trans-98.7115.6-175.3176.428.2000110.6A177 L178 Y185 M192 F193 N194 I195N175-A177 PolarHBondContact OD1-N 2.88Å; N175-L178 PolarHBondContact ND2-O 3.44Å; N175-L178 PolarHBondContact OD1-N 2.7Å; N175-Y185 HydrophobicContact CB-CE2 4.32Å; N175-M192 HydrophobicContact CB-CG 4.12Å; N175-M192 HydrophobicContact CB-SD 3.95Å; N175-F193 PolarHBondContact N-O 3.03Å; N175-N194 WeakPolarHBondContact CB-OD1 3.33Å; N175-N194 PolarHBondContact ND2-OD1 3.04Å; N175-I195 PolarHBondContact O-N 2.89Å
176Y90.3Very high85.6Confident15 Ų1552.9 Ų52.96%0.05927%0.27CS..SBendtrans-116.96.9172.7-165.1-88.9000112.1I195 P197 L203 V227 Q234Y176-I195 HydrophobicContact CD2-CB 3.76Å; Y176-I195 HydrophobicContact CD2-CD1 4.37Å; Y176-I195 HydrophobicContact CD2-CG2 3.59Å; Y176-I195 HydrophobicContact CE2-CB 4.32Å; Y176-I195 HydrophobicContact CE2-CG2 3.64Å; Y176-P197 HydrophobicContact CD1-CG 4.44Å; Y176-P197 HydrophobicContact CE1-CB 4.19Å; Y176-P197 HydrophobicContact CE1-CG 4.02Å; Y176-L203 HydrophobicContact CD2-CD1 4.4Å; Y176-L203 HydrophobicContact CE2-CD1 3.97Å; Y176-V227 PolarHBondContact N-O 3.26Å; Y176-Q234 HydrophobicContact CD1-CB 3.67Å; Y176-Q234 HydrophobicContact CD1-CG 3.86Å; Y176-Q234 HydrophobicContact CD2-CB 4.33Å; Y176-Q234 HydrophobicContact CE1-CB 3.71Å; Y176-Q234 HydrophobicContact CE1-CG 3.33Å; Y176-Q234 HydrophobicContact CE2-CB 4.34Å; Y176-Q234 HydrophobicContact CE2-CG 4.25Å; Y176-Q234 HydrophobicContact CG-CB 4.06Å
177A83.7Confident84.4Confident25 Ų2550.5 Ų50.521%0.20727%0.272CS..SBendtrans-129.3-36.4-168.400000115.5I156 N175 V227I156-A177 HydrophobicContact CD1-CB 4Å; I156-A177 HydrophobicContact CG1-CB 3.86Å; N175-A177 PolarHBondContact OD1-N 2.88Å; A177-V227 HydrophobicContact CB-CG1 4.46Å
178L79.5Confident83.3Confident20 Ų2049.5 Ų49.511%0.10527%0.271CS..SBendtrans-101.8154-171.3-68.4176.2000110.9I156 N175 D182 I184 Y185I156-L178 HydrophobicContact CB-CD2 4.39Å; I156-L178 HydrophobicContact CD1-CD2 3.65Å; I156-L178 HydrophobicContact CD1-CG 4.29Å; I156-L178 HydrophobicContact CG1-CD1 4.5Å; I156-L178 HydrophobicContact CG1-CD2 3.77Å; I156-L178 HydrophobicContact CG1-CG 3.97Å; I156-L178 HydrophobicContact CG2-CD1 4.28Å; I156-L178 HydrophobicContact CG2-CD2 3.76Å; I156-L178 HydrophobicContact CG2-CG 4.38Å; N175-L178 PolarHBondContact ND2-O 3.44Å; N175-L178 PolarHBondContact OD1-N 2.7Å; L178-D182 HydrophobicContact CB-CB 4.12Å; L178-D182 HydrophobicContact CD1-CB 4.39Å; L178-I184 HydrophobicContact CD1-CD1 3.81Å; L178-Y185 HydrophobicContact CB-CE2 3.83Å; L178-Y185 HydrophobicContact CD1-CE2 3.75Å; L178-Y185 HydrophobicContact CG-CE2 4.42Å
179D79Confident82Confident128 Ų12855.6 Ų55.668%0.68430%0.297SS*.  trans-61.8145.5168.7-67.7-33.5000110.2D181 D182D179-D181 PolarHBondContact O-N 3.15Å; D179-D182 VanDerWaalsContact O-CB 3.3Å; D179-D182 WeakPolarHBondContact O-CB 3.49Å; D179-D182 PolarHBondContact O-N 2.93Å
180N72Confident81.1Confident68 Ų6857.8 Ų57.836%0.36431%0.309SS..THydrogen-bonded Turntrans-60.4-23.3-177.3-62.3-20.6000113N194 Q196N180-N194 VanDerWaalsContact CG-ND2 3.35Å; N180-N194 WeakPolarHBondContact OD1-CB 3.16Å; N180-N194 PolarHBondContact OD1-ND2 2.97Å; N180-N194 PolarHBondContact OD1-OD1 3.05Å; N180-Q196 PolarHBondContact OD1-NE2 3.03Å; N180-Q196 VanDerWaalsContact OD1-NE2 3.11Å
181D75.5Confident80.8Confident128 Ų12858.9 Ų58.968%0.68432%0.317SS*.THydrogen-bonded Turntrans-959.1179.2-68.3-45.7000113.5D179D179-D181 PolarHBondContact O-N 3.15Å
182D81.4Confident80.8Confident39 Ų3957.4 Ų57.421%0.20931%0.307CS..  trans-55.3132.5177.7-169.5-70.2000110.5L178 D179 I184 Y185L178-D182 HydrophobicContact CB-CB 4.12Å; L178-D182 HydrophobicContact CD1-CB 4.39Å; D179-D182 VanDerWaalsContact O-CB 3.3Å; D179-D182 WeakPolarHBondContact O-CB 3.49Å; D179-D182 PolarHBondContact O-N 2.93Å; D182-I184 PolarHBondContact O-N 3.06Å; D182-I184 VanDerWaalsContact OD1-CB 3.28Å; D182-I184 WeakPolarHBondContact OD1-CB 3.25Å; D182-I184 WeakPolarHBondContact OD1-CD1 3.42Å; D182-I184 WeakPolarHBondContact OD1-CG1 3.47Å; D182-I184 PolarHBondContact OD1-N 2.69Å; D182-Y185 HydrophobicContact CB-CD2 4.06Å; D182-Y185 HydrophobicContact CB-CE2 4.36Å; D182-Y185 PolarHBondContact O-N 3.11Å
183P79.5Confident80.7Confident84 Ų8459.4 Ų59.455%0.54532%0.316SS..G310 helixtrans-51.9-25-179.5-28.935.7000115.1Y185 Q186P183-Y185 PolarHBondContact O-N 2.93Å; P183-Q186 PolarHBondContact O-N 2.87Å
184I77.6Confident80.5Confident48 Ų4861.6 Ų61.625%0.24633%0.328CS..G310 helixtrans-57.2-35.7175.9-67.4166000111.2A159 L178 D182A159-I184 VanDerWaalsContact O-CG2 3.28Å; A159-I184 WeakPolarHBondContact O-CG2 3.07Å; L178-I184 HydrophobicContact CD1-CD1 3.81Å; D182-I184 PolarHBondContact O-N 3.06Å; D182-I184 VanDerWaalsContact OD1-CB 3.28Å; D182-I184 WeakPolarHBondContact OD1-CB 3.25Å; D182-I184 WeakPolarHBondContact OD1-CD1 3.42Å; D182-I184 WeakPolarHBondContact OD1-CG1 3.47Å; D182-I184 PolarHBondContact OD1-N 2.69Å
185Y78.3Confident80.3Confident2 Ų261.8 Ų61.81%0.00833%0.329CS..G310 helixtrans-97.4-0.9-172.3-56.6-56.7000115H173 N175 L178 D182 P183 N187 C188 K189 M192H173-Y185 HydrophobicContact CB-CE1 3.94Å; H173-Y185 AromaticContact CG-CE1 3.79Å; N175-Y185 HydrophobicContact CB-CE2 4.32Å; L178-Y185 HydrophobicContact CB-CE2 3.83Å; L178-Y185 HydrophobicContact CD1-CE2 3.75Å; L178-Y185 HydrophobicContact CG-CE2 4.42Å; D182-Y185 HydrophobicContact CB-CD2 4.06Å; D182-Y185 HydrophobicContact CB-CE2 4.36Å; D182-Y185 PolarHBondContact O-N 3.11Å; P183-Y185 PolarHBondContact O-N 2.93Å; Y185-N187 PolarHBondContact O-N 2.83Å; Y185-C188 PolarHBondContact O-N 3.07Å; Y185-K189 PolarHBondContact O-N 3.47Å; Y185-M192 HydrophobicContact CD1-CE 4.48Å; Y185-M192 HydrophobicContact CD1-CG 4.47Å; Y185-M192 HydrophobicContact CD1-SD 3.44Å; Y185-M192 WeakPolarHBondContact CD1-SD 3.17Å; Y185-M192 HydrophobicContact CD2-CE 4.06Å; Y185-M192 HydrophobicContact CD2-SD 3.35Å; Y185-M192 WeakPolarHBondContact CD2-SD 3.4Å; Y185-M192 HydrophobicContact CE1-SD 3.68Å; Y185-M192 HydrophobicContact CE2-SD 3.56Å; Y185-M192 VanDerWaalsContact CE2-SD 3.56Å; Y185-M192 HydrophobicContact CG-CE 3.89Å; Y185-M192 HydrophobicContact CG-SD 3.26Å
186Q70.7Confident79.8Confident125 Ų12566.4 Ų66.458%0.58435%0.351SS*.THydrogen-bonded Turntrans-55.1-31.9-178.1-73.8176.93.300113.2P183P183-Q186 PolarHBondContact O-N 2.87Å
187N66.4Low79.1Confident141 Ų14169.3 Ų69.375%0.75437%0.371SS*.THydrogen-bonded Turntrans-97.2-2.1179.6-65-23.5000114.3Y185Y185-N187 PolarHBondContact O-N 2.83Å
188C68.6Low78.8Confident39 Ų3970.1 Ų70.126%0.26438%0.375SS..  trans-130.723.8-169.3-65.10000113.2Y185 D190 S191 M192Y185-C188 PolarHBondContact O-N 3.07Å; C188-D190 VanDerWaalsContact C-N 3.26Å; C188-D190 PolarHBondContact O-N 3.23Å; C188-S191 CarbonylContact O-C 3.47Å; C188-S191 WeakPolarHBondContact O-CA 3.44Å; C188-S191 PolarHBondContact O-N 3.44Å; C188-M192 PolarHBondContact O-N 2.83Å
189K67.2Low78.5Confident131 Ų13177.5 Ų77.557%0.5742%0.415SS*.G310 helixtrans-54.7-39.3-175-67.5-165.3175.5-164.40113.2Y185 S191Y185-K189 PolarHBondContact O-N 3.47Å; K189-S191 PolarHBondContact O-N 3.12Å
190D72.4Confident78.4Confident153 Ų15378.1 Ų78.182%0.81842%0.418SS*.G310 helixtrans-78.7-4.9179-58.6-28.1000114C188 K217C188-D190 VanDerWaalsContact C-N 3.26Å; C188-D190 PolarHBondContact O-N 3.23Å; D190-K217 PolarHBondContact O-NZ 2.94Å
191S87.4Confident78.8Confident30 Ų3075.7 Ų75.721%0.2141%0.409CS..G310 helixtrans-115.421.4-179.8-65.10000112.1V171 A172 H173 C188 K189V171-S191 WeakPolarHBondContact O-CB 3.33Å; V171-S191 PolarHBondContact O-OG 3.25Å; A172-S191 CarbonylContact C-O 3.59Å; A172-S191 WeakPolarHBondContact CA-O 3.46Å; A172-S191 VanDerWaalsContact CB-O 3.31Å; A172-S191 WeakPolarHBondContact CB-O 3.4Å; H173-S191 PolarHBondContact N-O 3.27Å; C188-S191 CarbonylContact O-C 3.47Å; C188-S191 WeakPolarHBondContact O-CA 3.44Å; C188-S191 PolarHBondContact O-N 3.44Å; K189-S191 PolarHBondContact O-N 3.12Å
192M91Very high79.4Confident24 Ų2473.2 Ų73.212%0.11839%0.393CS..EExtended strand (participates in β ladder)trans-125.8136.1179.3-176.9174.756.200111.7H173 N175 Y185 C188 N194H173-M192 HydrophobicContact CB-CG 4.44Å; H173-M192 CarbonylContact O-C 3.53Å; H173-M192 WeakPolarHBondContact O-CA 3.32Å; N175-M192 HydrophobicContact CB-CG 4.12Å; N175-M192 HydrophobicContact CB-SD 3.95Å; Y185-M192 HydrophobicContact CD1-CE 4.48Å; Y185-M192 HydrophobicContact CD1-CG 4.47Å; Y185-M192 HydrophobicContact CD1-SD 3.44Å; Y185-M192 WeakPolarHBondContact CD1-SD 3.17Å; Y185-M192 HydrophobicContact CD2-CE 4.06Å; Y185-M192 HydrophobicContact CD2-SD 3.35Å; Y185-M192 WeakPolarHBondContact CD2-SD 3.4Å; Y185-M192 HydrophobicContact CE1-SD 3.68Å; Y185-M192 HydrophobicContact CE2-SD 3.56Å; Y185-M192 VanDerWaalsContact CE2-SD 3.56Å; Y185-M192 HydrophobicContact CG-CE 3.89Å; Y185-M192 HydrophobicContact CG-SD 3.26Å; C188-M192 PolarHBondContact O-N 2.83Å; M192-N194 VanDerWaalsContact CE-ND2 3.27Å; M192-N194 WeakPolarHBondContact CE-ND2 3.24Å; M192-N194 WeakPolarHBondContact CE-OD1 3.43Å; M192-N194 WeakPolarHBondContact CG-OD1 3.4Å; M192-N194 PolarHBondContact SD-OD1 2.79Å
193F92.9Very high79.9Confident42 Ų4271.4 Ų71.418%0.18438%0.383CS..EExtended strand (participates in β ladder)trans-110118.4165.8-164.3-71.7000108.7H173 I174 N175 I195 D209 V210 F213H173-F193 PolarHBondContact O-N 3.36Å; I174-F193 CarbonylContact C-O 3.58Å; I174-F193 WeakPolarHBondContact CA-O 3.43Å; I174-F193 HydrophobicContact CD1-CB 3.69Å; I174-F193 HydrophobicContact CD1-CG 4.49Å; N175-F193 PolarHBondContact N-O 3.03Å; F193-I195 HydrophobicContact CD1-CG1 3.91Å; F193-I195 HydrophobicContact CE1-CG1 3.99Å; F193-D209 HydrophobicContact CE2-CB 3.88Å; F193-D209 HydrophobicContact CZ-CB 3.7Å; F193-V210 HydrophobicContact CD1-CG2 3.55Å; F193-V210 HydrophobicContact CE1-CG2 3.3Å; F193-V210 HydrophobicContact CE2-CG2 4.46Å; F193-V210 HydrophobicContact CG-CG2 4.26Å; F193-V210 HydrophobicContact CZ-CG2 3.8Å; F193-F213 HydrophobicContact CB-CD1 4.02Å; F193-F213 HydrophobicContact CB-CD2 4.14Å; F193-F213 HydrophobicContact CB-CE1 4.13Å; F193-F213 HydrophobicContact CB-CE2 4.25Å; F193-F213 HydrophobicContact CB-CG 3.99Å; F193-F213 HydrophobicContact CB-CZ 4.23Å; F193-F213 HydrophobicContact CD2-CB 3.78Å; F193-F213 AromaticContact CD2-CD2 3.99Å; F193-F213 HydrophobicContact CD2-CD2 3.99Å; F193-F213 AromaticContact CD2-CG 3.93Å; F193-F213 HydrophobicContact CD2-CG 3.93Å; F193-F213 HydrophobicContact CE2-CB 4.45Å; F193-F213 HydrophobicContact CG-CB 4.5Å; F193-F213 HydrophobicContact CG-CG 4.39Å
194N90.4Very high80.6Confident50 Ų5068.6 Ų68.627%0.26736%0.364SS..EExtended strand (participates in β ladder)trans-96.6131.3-178.9-71.7-41.8000111N175 N180 M192N175-N194 WeakPolarHBondContact CB-OD1 3.33Å; N175-N194 PolarHBondContact ND2-OD1 3.04Å; N180-N194 VanDerWaalsContact CG-ND2 3.35Å; N180-N194 WeakPolarHBondContact OD1-CB 3.16Å; N180-N194 PolarHBondContact OD1-ND2 2.97Å; N180-N194 PolarHBondContact OD1-OD1 3.05Å; M192-N194 VanDerWaalsContact CE-ND2 3.27Å; M192-N194 WeakPolarHBondContact CE-ND2 3.24Å; M192-N194 WeakPolarHBondContact CE-OD1 3.43Å; M192-N194 WeakPolarHBondContact CG-OD1 3.4Å; M192-N194 PolarHBondContact SD-OD1 2.79Å
195I90.1Very high81.4Confident3 Ų369.9 Ų69.92%0.01538%0.377CS..  trans-119.6116.8171.2-53.3172.4000106.8I174 N175 Y176 F193 L203 F206 V210 I238I174-I195 HydrophobicContact CG2-CD1 3.81Å; I174-I195 HydrophobicContact CG2-CG1 4.42Å; N175-I195 PolarHBondContact O-N 2.89Å; Y176-I195 HydrophobicContact CD2-CB 3.76Å; Y176-I195 HydrophobicContact CD2-CD1 4.37Å; Y176-I195 HydrophobicContact CD2-CG2 3.59Å; Y176-I195 HydrophobicContact CE2-CB 4.32Å; Y176-I195 HydrophobicContact CE2-CG2 3.64Å; F193-I195 HydrophobicContact CD1-CG1 3.91Å; F193-I195 HydrophobicContact CE1-CG1 3.99Å; I195-L203 HydrophobicContact CD1-CD1 4.08Å; I195-L203 HydrophobicContact CG2-CD1 3.69Å; I195-F206 HydrophobicContact CG2-CD2 4.09Å; I195-F206 HydrophobicContact CG2-CE2 4.42Å; I195-F206 HydrophobicContact CG2-CG 4.14Å; I195-V210 HydrophobicContact CD1-CG2 3.51Å; I195-V210 HydrophobicContact CG1-CG2 3.97Å; I195-I238 HydrophobicContact CD1-CD1 3.68Å; I195-I238 HydrophobicContact CD1-CG1 4.39Å
196Q82Confident82.1Confident100 Ų10073 Ų7347%0.46739%0.391SS..PPolyproline II helixtrans-79126.2176-66.7-63.1-52.100109.1N180 S198N180-Q196 PolarHBondContact OD1-NE2 3.03Å; N180-Q196 VanDerWaalsContact OD1-NE2 3.11Å; Q196-S198 PolarHBondContact O-N 2.98Å
197P76.2Confident83.4Confident76 Ų7667 Ų6749%0.49436%0.363SS..PPolyproline II helixtrans-56.5128.4173.6-23.533.8000110.2Y176Y176-P197 HydrophobicContact CD1-CG 4.44Å; Y176-P197 HydrophobicContact CE1-CB 4.19Å; Y176-P197 HydrophobicContact CE1-CG 4.02Å
198S76.8Confident84.8Confident42 Ų4263.4 Ų63.429%0.29434%0.343SS..PPolyproline II helixtrans-96.2144.4173.261.90000109.8Q196 N200 G201 E202Q196-S198 PolarHBondContact O-N 2.98Å; S198-N200 PolarHBondContact O-N 3.41Å; S198-N200 VanDerWaalsContact O-N 3.12Å; S198-G201 PolarHBondContact O-N 2.81Å; S198-G201 PolarHBondContact OG-N 3.27Å; S198-E202 PolarHBondContact OG-N 2.83Å; S198-E202 PolarHBondContact OG-O 3.48Å; S198-E202 VanDerWaalsContact OG-O 3.07Å
199D73.9Confident86.1Confident175 Ų17565.8 Ų65.894%0.93635%0.354SS*.THydrogen-bonded Turntrans-57.9-28.1177.6-68-24.9000112.3
200N76.9Confident87.5Confident141 Ų14159.6 Ų59.675%0.75433%0.327SS*.THydrogen-bonded Turntrans-87.8-3.7-179.2-62.8-14.1000113.6S198 E202S198-N200 PolarHBondContact O-N 3.41Å; S198-N200 VanDerWaalsContact O-N 3.12Å; N200-E202 PolarHBondContact O-N 3Å
201G79.9Confident88.8Confident16 Ų1652.3 Ų52.317%0.16529%0.288CS..  trans63.230-173.700000113.2S198 F271 Q274S198-G201 PolarHBondContact O-N 2.81Å; S198-G201 PolarHBondContact OG-N 3.27Å; G201-F271 WeakPolarHBondContact O-CE1 3.23Å; G201-Q274 PolarHBondContact O-NE2 2.95Å
202E87.4Confident89.2Confident77 Ų7753.7 Ų53.736%0.3629%0.293SS..  trans-73.9121.7172.1178.857-144.600109.4S198 N200 L204 S205S198-E202 PolarHBondContact OG-N 2.83Å; S198-E202 PolarHBondContact OG-O 3.48Å; S198-E202 VanDerWaalsContact OG-O 3.07Å; N200-E202 PolarHBondContact O-N 3Å; E202-L204 WeakPolarHBondContact OE1-CB 3.26Å; E202-L204 PolarHBondContact OE1-N 2.88Å; E202-S205 PolarHBondContact OE1-N 3.15Å
203L92.7Very high89.5Confident0 Ų053.7 Ų53.70%029%0.292CS..  trans-132.4-23.1178.6-169.661.7000112.2Y176 I195 S205 F206 L207 V237 I238 F271Y176-L203 HydrophobicContact CD2-CD1 4.4Å; Y176-L203 HydrophobicContact CE2-CD1 3.97Å; I195-L203 HydrophobicContact CD1-CD1 4.08Å; I195-L203 HydrophobicContact CG2-CD1 3.69Å; L203-S205 VanDerWaalsContact C-N 3.28Å; L203-S205 PolarHBondContact O-N 3.5Å; L203-F206 HydrophobicContact CD1-CB 4.46Å; L203-F206 PolarHBondContact O-N 3.34Å; L203-L207 HydrophobicContact CD2-CD2 4Å; L203-L207 HydrophobicContact CG-CD2 3.78Å; L203-L207 HydrophobicContact CG-CG 4.42Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.05Å; L203-V237 HydrophobicContact CD2-CB 3.93Å; L203-V237 HydrophobicContact CD2-CG1 3.73Å; L203-I238 HydrophobicContact CD2-CG1 4.05Å; L203-F271 HydrophobicContact CB-CD1 4.34Å; L203-F271 HydrophobicContact CB-CE1 3.94Å; L203-F271 HydrophobicContact CD2-CE1 4.29Å
204L93.8Very high89.7Confident26 Ų2651.7 Ų51.714%0.13628%0.283CS..Hα-helixtrans-48.8-47.5-177.4172.161.8000112.4E202 F206 L207 Q274 E277 F278E202-L204 WeakPolarHBondContact OE1-CB 3.26Å; E202-L204 PolarHBondContact OE1-N 2.88Å; L204-F206 PolarHBondContact O-N 3.04Å; L204-F206 VanDerWaalsContact O-N 3.1Å; L204-L207 HydrophobicContact CD1-CD1 4.36Å; L204-L207 PolarHBondContact O-N 3Å; L204-L207 VanDerWaalsContact O-N 3.11Å; L204-Q274 HydrophobicContact CB-CB 4.11Å; L204-Q274 HydrophobicContact CB-CG 4.11Å; L204-E277 HydrophobicContact CD2-CB 4.07Å; L204-E277 HydrophobicContact CD2-CG 3.53Å; L204-F278 HydrophobicContact CD1-CB 3.63Å; L204-F278 HydrophobicContact CD1-CD2 4.13Å; L204-F278 HydrophobicContact CD1-CG 4.35Å
205S93.5Very high90.1Very high75 Ų7550.9 Ų50.952%0.52428%0.278SS..Hα-helixtrans-57.6-22.6178.153.40000115.4E202 L203E202-S205 PolarHBondContact OE1-N 3.15Å; L203-S205 VanDerWaalsContact C-N 3.28Å; L203-S205 PolarHBondContact O-N 3.5Å
206F94.8Very high90.4Very high66 Ų6654.3 Ų54.329%0.28929%0.294SS..Hα-helixtrans-98-18.5178.8-60.9-82.8000113.3I195 L203 L204 D208 D209 V210I195-F206 HydrophobicContact CG2-CD2 4.09Å; I195-F206 HydrophobicContact CG2-CE2 4.42Å; I195-F206 HydrophobicContact CG2-CG 4.14Å; L203-F206 HydrophobicContact CD1-CB 4.46Å; L203-F206 PolarHBondContact O-N 3.34Å; L204-F206 PolarHBondContact O-N 3.04Å; L204-F206 VanDerWaalsContact O-N 3.1Å; F206-D208 VanDerWaalsContact C-N 3.28Å; F206-D208 PolarHBondContact O-N 3.41Å; F206-D209 PolarHBondContact O-N 3.39Å; F206-V210 HydrophobicContact CB-CG2 4.21Å; F206-V210 WeakPolarHBondContact O-CB 3.29Å; F206-V210 WeakPolarHBondContact O-CG2 3.44Å; F206-V210 PolarHBondContact O-N 3.36Å
207L96.1Very high91Very high1 Ų149.9 Ų49.91%0.00527%0.273CS..Hα-helixtrans-59-40.4-168.8-69.1-177.9000112.1L203 L204 C211 V237 A241 L275 F278L203-L207 HydrophobicContact CD2-CD2 4Å; L203-L207 HydrophobicContact CG-CD2 3.78Å; L203-L207 HydrophobicContact CG-CG 4.42Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.05Å; L204-L207 HydrophobicContact CD1-CD1 4.36Å; L204-L207 PolarHBondContact O-N 3Å; L204-L207 VanDerWaalsContact O-N 3.11Å; L207-C211 WeakPolarHBondContact O-CB 3.45Å; L207-C211 PolarHBondContact O-N 3.2Å; L207-C211 PolarHBondContact O-SG 3.49Å; L207-V237 HydrophobicContact CD2-CG1 4.49Å; L207-A241 HydrophobicContact CB-CB 4.16Å; L207-A241 HydrophobicContact CD1-CB 4.04Å; L207-A241 HydrophobicContact CD2-CB 3.77Å; L207-A241 HydrophobicContact CG-CB 4.2Å; L207-L275 HydrophobicContact CD1-CD2 4.01Å; L207-F278 HydrophobicContact CB-CD2 3.79Å; L207-F278 HydrophobicContact CB-CE1 4.45Å; L207-F278 HydrophobicContact CB-CE2 3.68Å; L207-F278 HydrophobicContact CB-CG 4.22Å; L207-F278 HydrophobicContact CB-CZ 4.02Å; L207-F278 HydrophobicContact CD1-CB 3.98Å; L207-F278 HydrophobicContact CD1-CD1 4.27Å; L207-F278 HydrophobicContact CD1-CD2 4.19Å; L207-F278 HydrophobicContact CD1-CG 3.89Å
208D96.8Very high92Very high64 Ų6450 Ų5034%0.34226%0.264SS..Hα-helixtrans-64.4-51.3-177-154.950.9000112F206 C211 D212 K245 F278F206-D208 VanDerWaalsContact C-N 3.28Å; F206-D208 PolarHBondContact O-N 3.41Å; D208-C211 PolarHBondContact O-N 2.89Å; D208-D212 PolarHBondContact O-N 3Å; D208-K245 PolarHBondContact O-NZ 3.43Å; D208-K245 WeakPolarHBondContact OD1-CE 3.35Å; D208-K245 IonicContact OD1-NZ 3.74Å; D208-K245 PolarHBondContact OD1-NZ 2.82Å; D208-K245 IonicContact OD2-NZ 3.1Å; D208-K245 PolarHBondContact OD2-NZ 3.27Å; D208-F278 HydrophobicContact CB-CE2 4.04Å
209D96.7Very high92.9Very high90 Ų9054.4 Ų54.448%0.48128%0.283SS..Hα-helixtrans-64.3-41.2179.2-69.3-26.1000112F193 F206 D212 F213F193-D209 HydrophobicContact CE2-CB 3.88Å; F193-D209 HydrophobicContact CZ-CB 3.7Å; F206-D209 PolarHBondContact O-N 3.39Å; D209-D212 PolarHBondContact O-N 2.93Å; D209-F213 PolarHBondContact O-N 3.42Å
210V96.5Very high93.8Very high1 Ų153.2 Ų53.21%0.00627%0.266CS..Hα-helixtrans-63.9-43.6177.8171.10000110.5I174 F193 I195 F206 D212 F213 I214 I238I174-V210 HydrophobicContact CD1-CG1 4.02Å; I174-V210 HydrophobicContact CG1-CG1 4.2Å; I174-V210 HydrophobicContact CG2-CG1 3.92Å; F193-V210 HydrophobicContact CD1-CG2 3.55Å; F193-V210 HydrophobicContact CE1-CG2 3.3Å; F193-V210 HydrophobicContact CE2-CG2 4.46Å; F193-V210 HydrophobicContact CG-CG2 4.26Å; F193-V210 HydrophobicContact CZ-CG2 3.8Å; I195-V210 HydrophobicContact CD1-CG2 3.51Å; I195-V210 HydrophobicContact CG1-CG2 3.97Å; F206-V210 HydrophobicContact CB-CG2 4.21Å; F206-V210 WeakPolarHBondContact O-CB 3.29Å; F206-V210 WeakPolarHBondContact O-CG2 3.44Å; F206-V210 PolarHBondContact O-N 3.36Å; V210-D212 VanDerWaalsContact C-N 3.29Å; V210-D212 PolarHBondContact O-N 3.25Å; V210-F213 PolarHBondContact O-N 3.19Å; V210-I214 HydrophobicContact CG1-CD1 4.14Å; V210-I214 WeakPolarHBondContact O-CG1 3.3Å; V210-I214 PolarHBondContact O-N 3.07Å; V210-I238 HydrophobicContact CG1-CG2 3.52Å
211C98Very high94.5Very high0 Ų049.5 Ų49.50%026%0.261CS..Hα-helixtrans-62.3-40.5177-69.60000111.2L207 D208 I214 Q215 Y242 K245 Y246L207-C211 WeakPolarHBondContact O-CB 3.45Å; L207-C211 PolarHBondContact O-N 3.2Å; L207-C211 PolarHBondContact O-SG 3.49Å; D208-C211 PolarHBondContact O-N 2.89Å; C211-I214 PolarHBondContact O-N 2.94Å; C211-Q215 WeakPolarHBondContact O-CB 3.35Å; C211-Q215 PolarHBondContact O-N 2.68Å; C211-Y242 HydrophobicContact CB-CD2 4.28Å; C211-Y242 WeakPolarHBondContact SG-CA 3.01Å; C211-Y242 PolarHBondContact SG-N 3.07Å; C211-K245 HydrophobicContact CB-CB 4.36Å; C211-K245 HydrophobicContact CB-CD 3.71Å; C211-Y246 HydrophobicContact CB-CD2 4.14Å; C211-Y246 HydrophobicContact CB-CE2 3.99Å; C211-Y246 WeakPolarHBondContact O-CE2 3.49Å
212D97.6Very high95.1Very high58 Ų5852 Ų5231%0.3127%0.268SS..Hα-helixtrans-65.7-40177.9-74-6000112.3D208 D209 V210 Q215 E216 K245 Y246D208-D212 PolarHBondContact O-N 3Å; D209-D212 PolarHBondContact O-N 2.93Å; V210-D212 VanDerWaalsContact C-N 3.29Å; V210-D212 PolarHBondContact O-N 3.25Å; D212-Q215 PolarHBondContact O-N 3.44Å; D212-E216 WeakPolarHBondContact O-CB 3.29Å; D212-E216 PolarHBondContact O-N 2.83Å; D212-K245 WeakPolarHBondContact OD1-CE 3.29Å; D212-K245 IonicContact OD1-NZ 2.96Å; D212-K245 PolarHBondContact OD1-NZ 2.84Å; D212-K245 IonicContact OD2-NZ 2.66Å; D212-K245 PolarHBondContact OD2-NZ 2.99Å; D212-K245 VanDerWaalsContact OD2-NZ 3.1Å; D212-Y246 WeakPolarHBondContact OD1-CE2 3.38Å; D212-Y246 VanDerWaalsContact OD1-CZ 3.3Å; D212-Y246 PolarHBondContact OD1-OH 2.82Å
213F97Very high95.5Very high24 Ų2448.5 Ų48.511%0.10525%0.253CS..Hα-helixtrans-59.9-47.8172.1178.5-86000111.6A172 I174 F193 D209 V210 Q215 E216 K217A172-F213 HydrophobicContact CB-CE1 4.22Å; A172-F213 HydrophobicContact CB-CZ 4.32Å; I174-F213 HydrophobicContact CD1-CD1 3.38Å; I174-F213 HydrophobicContact CD1-CE1 3.68Å; I174-F213 HydrophobicContact CD1-CG 4.34Å; F193-F213 HydrophobicContact CB-CD1 4.02Å; F193-F213 HydrophobicContact CB-CD2 4.14Å; F193-F213 HydrophobicContact CB-CE1 4.13Å; F193-F213 HydrophobicContact CB-CE2 4.25Å; F193-F213 HydrophobicContact CB-CG 3.99Å; F193-F213 HydrophobicContact CB-CZ 4.23Å; F193-F213 HydrophobicContact CD2-CB 3.78Å; F193-F213 AromaticContact CD2-CD2 3.99Å; F193-F213 HydrophobicContact CD2-CD2 3.99Å; F193-F213 AromaticContact CD2-CG 3.93Å; F193-F213 HydrophobicContact CD2-CG 3.93Å; F193-F213 HydrophobicContact CE2-CB 4.45Å; F193-F213 HydrophobicContact CG-CB 4.5Å; F193-F213 HydrophobicContact CG-CG 4.39Å; D209-F213 PolarHBondContact O-N 3.42Å; V210-F213 PolarHBondContact O-N 3.19Å; F213-Q215 VanDerWaalsContact C-N 3.28Å; F213-Q215 PolarHBondContact O-N 3.12Å; F213-E216 PolarHBondContact O-N 3.21Å; F213-K217 HydrophobicContact CD1-CG 4.25Å; F213-K217 HydrophobicContact CE1-CG 3.95Å; F213-K217 HydrophobicContact CZ-CD 4.39Å; F213-K217 HydrophobicContact CZ-CG 4.22Å; F213-K217 WeakPolarHBondContact O-CG 3.22Å; F213-K217 PolarHBondContact O-N 3.36Å; F213-K217 VanDerWaalsContact O-N 3.08Å
214I97.4Very high95.7Very high0 Ų048.6 Ų48.60%025%0.253CS..Hα-helixtrans-59.6-43.8177.6-62.9166.6000109.9L151 I174 V210 C211 K217 R218 V224 I238 Y242L151-I214 HydrophobicContact CD1-CD1 4.12Å; L151-I214 HydrophobicContact CD1-CG1 4.47Å; L151-I214 HydrophobicContact CD1-CG2 4.04Å; I174-I214 HydrophobicContact CD1-CG1 3.97Å; I174-I214 HydrophobicContact CG1-CD1 4.26Å; I174-I214 HydrophobicContact CG1-CG1 4.1Å; V210-I214 HydrophobicContact CG1-CD1 4.14Å; V210-I214 WeakPolarHBondContact O-CG1 3.3Å; V210-I214 PolarHBondContact O-N 3.07Å; C211-I214 PolarHBondContact O-N 2.94Å; I214-K217 PolarHBondContact O-N 3.44Å; I214-R218 WeakPolarHBondContact O-CB 3.09Å; I214-R218 PolarHBondContact O-N 3.49Å; I214-V224 HydrophobicContact CG1-CG1 4.28Å; I214-V224 HydrophobicContact CG2-CG2 4.35Å; I214-I238 HydrophobicContact CD1-CG2 4.19Å; I214-Y242 HydrophobicContact CB-CD2 3.68Å; I214-Y242 HydrophobicContact CB-CE2 3.67Å; I214-Y242 HydrophobicContact CD1-CD2 4.05Å; I214-Y242 HydrophobicContact CD1-CG 4.27Å; I214-Y242 HydrophobicContact CG1-CD2 4.48Å; I214-Y242 HydrophobicContact CG2-CD1 4.44Å; I214-Y242 HydrophobicContact CG2-CD2 3.6Å; I214-Y242 HydrophobicContact CG2-CE1 4.25Å; I214-Y242 HydrophobicContact CG2-CE2 3.38Å; I214-Y242 HydrophobicContact CG2-CG 4.14Å
215Q97.8Very high95.8Very high33 Ų3347.3 Ų47.315%0.15425%0.246CC..Hα-helixtrans-63.7-43178.9-176.467.10.700112.4C211 D212 F213 K217 R218 L219 Y242 Y246C211-Q215 WeakPolarHBondContact O-CB 3.35Å; C211-Q215 PolarHBondContact O-N 2.68Å; D212-Q215 PolarHBondContact O-N 3.44Å; F213-Q215 VanDerWaalsContact C-N 3.28Å; F213-Q215 PolarHBondContact O-N 3.12Å; Q215-K217 VanDerWaalsContact C-N 3.31Å; Q215-K217 PolarHBondContact O-N 3.41Å; Q215-R218 PolarHBondContact O-N 3.19Å; Q215-L219 HydrophobicContact CG-CD1 4.18Å; Q215-L219 HydrophobicContact CG-CG 4.4Å; Q215-L219 WeakPolarHBondContact O-CG 3.3Å; Q215-L219 PolarHBondContact O-N 3.47Å; Q215-Y242 HydrophobicContact CB-CE2 4.25Å; Q215-Y242 PolarHBondContact OE1-OH 3.08Å; Q215-Y246 HydrophobicContact CB-CD1 4.16Å; Q215-Y246 HydrophobicContact CB-CD2 3.88Å; Q215-Y246 HydrophobicContact CB-CE1 3.84Å; Q215-Y246 HydrophobicContact CB-CE2 3.52Å; Q215-Y246 HydrophobicContact CB-CG 4.18Å; Q215-Y246 VanDerWaalsContact CB-CZ 3.48Å; Q215-Y246 VanDerWaalsContact CD-CD1 3.49Å; Q215-Y246 HydrophobicContact CG-CD1 3.72Å; Q215-Y246 HydrophobicContact CG-CD2 4.37Å; Q215-Y246 HydrophobicContact CG-CE1 3.39Å; Q215-Y246 HydrophobicContact CG-CE2 4.08Å; Q215-Y246 HydrophobicContact CG-CG 4.2Å
216E96.6Very high96Very high75 Ų7543.8 Ų43.835%0.3522%0.222SC..Hα-helixtrans-56.9-46.2175.8-173.8-151.1129.100110.9D212 F213 L219 R220D212-E216 WeakPolarHBondContact O-CB 3.29Å; D212-E216 PolarHBondContact O-N 2.83Å; F213-E216 PolarHBondContact O-N 3.21Å; E216-L219 PolarHBondContact O-N 3.34Å; E216-R220 WeakPolarHBondContact O-CG 3.31Å; E216-R220 PolarHBondContact O-N 3.05Å; E216-R220 IonicContact OE1-CZ 2.64Å; E216-R220 IonicContact OE1-NE 3.3Å; E216-R220 IonicContact OE1-NH1 2.66Å; E216-R220 PolarHBondContact OE1-NH1 3.15Å; E216-R220 IonicContact OE1-NH2 3.11Å; E216-R220 PolarHBondContact OE1-NH2 2.9Å; E216-R220 VanDerWaalsContact OE1-NH2 3.11Å
217K95Very high95.9Very high7 Ų740.6 Ų40.63%0.0321%0.208CC..Hα-helixtrans-65.6-44.1177.9-60.1-48.1-179.4-171.20111.2A172 D190 F213 I214 Q215 L219 R220 G221 H222 V224A172-K217 HydrophobicContact CB-CD 4.13Å; A172-K217 HydrophobicContact CB-CG 3.81Å; D190-K217 PolarHBondContact O-NZ 2.94Å; F213-K217 HydrophobicContact CD1-CG 4.25Å; F213-K217 HydrophobicContact CE1-CG 3.95Å; F213-K217 HydrophobicContact CZ-CD 4.39Å; F213-K217 HydrophobicContact CZ-CG 4.22Å; F213-K217 WeakPolarHBondContact O-CG 3.22Å; F213-K217 PolarHBondContact O-N 3.36Å; F213-K217 VanDerWaalsContact O-N 3.08Å; I214-K217 PolarHBondContact O-N 3.44Å; Q215-K217 VanDerWaalsContact C-N 3.31Å; Q215-K217 PolarHBondContact O-N 3.41Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 2.71Å; K217-R220 CarbonylContact O-C 3.56Å; K217-R220 WeakPolarHBondContact O-CA 3.49Å; K217-R220 WeakPolarHBondContact O-CB 3.35Å; K217-R220 PolarHBondContact O-N 3.38Å; K217-G221 PolarHBondContact O-N 2.97Å; K217-H222 HydrophobicContact CB-CB 4.02Å; K217-H222 VanDerWaalsContact O-CB 3.3Å; K217-H222 WeakPolarHBondContact O-CB 3.23Å; K217-H222 PolarHBondContact O-N 2.96Å; K217-V224 HydrophobicContact CB-CG2 3.55Å; K217-V224 HydrophobicContact CG-CG2 4.01Å
218R95.8Very high95.6Very high78 Ų7840.6 Ų40.629%0.29421%0.207SC..Hα-helixtrans-56.1-45.7175.8-179.2-177-175.5174.93.8112.4V150 I214 Q215 R220 G221 Y242 E247V150-R218 HydrophobicContact CG1-CB 3.98Å; V150-R218 HydrophobicContact CG1-CG 3.72Å; V150-R218 HydrophobicContact CG2-CG 3.97Å; I214-R218 WeakPolarHBondContact O-CB 3.09Å; I214-R218 PolarHBondContact O-N 3.49Å; Q215-R218 PolarHBondContact O-N 3.19Å; R218-R220 PolarHBondContact O-N 3.13Å; R218-G221 PolarHBondContact O-N 2.99Å; R218-Y242 WeakPolarHBondContact CD-OH 3.44Å; R218-Y242 PolarHBondContact NH1-OH 3.14Å; R218-E247 IonicContact CZ-OE1 2.66Å; R218-E247 IonicContact NH1-OE1 3.1Å; R218-E247 PolarHBondContact NH1-OE1 3.18Å; R218-E247 IonicContact NH2-OE1 3.34Å; R218-E247 PolarHBondContact NH2-OE1 2.98Å
219L96.1Very high95.1Very high135 Ų13542.6 Ų42.671%0.70722%0.218SC*.Hα-helixtrans-63.9-22179.2-70.1173.8000113Q215 E216 K217 G221Q215-L219 HydrophobicContact CG-CD1 4.18Å; Q215-L219 HydrophobicContact CG-CG 4.4Å; Q215-L219 WeakPolarHBondContact O-CG 3.3Å; Q215-L219 PolarHBondContact O-N 3.47Å; E216-L219 PolarHBondContact O-N 3.34Å; K217-L219 VanDerWaalsContact C-N 3.34Å; K217-L219 PolarHBondContact O-N 2.71Å; L219-G221 VanDerWaalsContact C-N 3.34Å
220R93.8Very high94.6Very high150 Ų15043.1 Ų43.157%0.56622%0.218SC*.THydrogen-bonded Turntrans-87.91.8172-65.2177.9179.7168.90.2113.5E216 K217 R218 H222E216-R220 WeakPolarHBondContact O-CG 3.31Å; E216-R220 PolarHBondContact O-N 3.05Å; E216-R220 IonicContact OE1-CZ 2.64Å; E216-R220 IonicContact OE1-NE 3.3Å; E216-R220 IonicContact OE1-NH1 2.66Å; E216-R220 PolarHBondContact OE1-NH1 3.15Å; E216-R220 IonicContact OE1-NH2 3.11Å; E216-R220 PolarHBondContact OE1-NH2 2.9Å; E216-R220 VanDerWaalsContact OE1-NH2 3.11Å; K217-R220 CarbonylContact O-C 3.56Å; K217-R220 WeakPolarHBondContact O-CA 3.49Å; K217-R220 WeakPolarHBondContact O-CB 3.35Å; K217-R220 PolarHBondContact O-N 3.38Å; R218-R220 PolarHBondContact O-N 3.13Å; R220-H222 VanDerWaalsContact C-N 3.32Å; R220-H222 PolarHBondContact O-CD2 2.7Å
221G92Very high94.1Very high64 Ų6443.7 Ų43.766%0.6622%0.221SC*.THydrogen-bonded Turntrans73.523.1-176.100000113.6K217 R218 L219K217-G221 PolarHBondContact O-N 2.97Å; R218-G221 PolarHBondContact O-N 2.99Å; L219-G221 VanDerWaalsContact C-N 3.34Å
222H92.5Very high93.4Very high67 Ų6745 Ų4531%0.3123%0.227SC..  trans-96.6141.1-177.6-68.3174.3000111.8V171 K217 R220V171-H222 HydrophobicContact CG2-CB 3.29Å; K217-H222 HydrophobicContact CB-CB 4.02Å; K217-H222 VanDerWaalsContact O-CB 3.3Å; K217-H222 WeakPolarHBondContact O-CB 3.23Å; K217-H222 PolarHBondContact O-N 2.96Å; R220-H222 VanDerWaalsContact C-N 3.32Å; R220-H222 PolarHBondContact O-CD2 2.7Å
223C95.1Very high93Very high5 Ų543.8 Ų43.83%0.03422%0.22CC..EExtended strand (participates in β ladder)trans-88.7136.5172.3-58.30000111N149 Y152 N169 I170 V171 A172N149-C223 PolarHBondContact O-SG 3.23Å; Y152-C223 HydrophobicContact CD2-CB 4.45Å; Y152-C223 HydrophobicContact CE2-CB 4.17Å; N169-C223 VanDerWaalsContact O-CB 3.31Å; N169-C223 WeakPolarHBondContact O-CB 3.49Å; I170-C223 HydrophobicContact CG1-CB 4.4Å; V171-C223 PolarHBondContact N-O 2.87Å; V171-C223 VanDerWaalsContact N-O 3.1Å; A172-C223 PolarHBondContact N-O 3.44Å
224V96.6Very high92.8Very high1 Ų144.5 Ų44.51%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-111135-179.9-172.20000110.5V150 L151 Y152 A172 I174 I214 K217V150-V224 PolarHBondContact O-N 3.4Å; L151-V224 HydrophobicContact CD1-CB 4.13Å; L151-V224 HydrophobicContact CD1-CG1 4.39Å; Y152-V224 PolarHBondContact N-O 3.46Å; A172-V224 HydrophobicContact CB-CG2 4.2Å; A172-V224 CarbonylContact O-C 3.59Å; A172-V224 WeakPolarHBondContact O-CA 3.25Å; I174-V224 HydrophobicContact CD1-CG1 4.23Å; I174-V224 HydrophobicContact CG1-CG1 3.93Å; I214-V224 HydrophobicContact CG1-CG1 4.28Å; I214-V224 HydrophobicContact CG2-CG2 4.35Å; K217-V224 HydrophobicContact CB-CG2 3.55Å; K217-V224 HydrophobicContact CG-CG2 4.01Å
225L96.3Very high92.6Very high0 Ų044.5 Ų44.50%022%0.224CC..EExtended strand (participates in β ladder)trans-108.5119.1172.3-179.364.9000110.5P143 H158 I170 A172 H173 I174 V227P143-L225 HydrophobicContact CB-CD1 3.72Å; P143-L225 HydrophobicContact CG-CD1 3.68Å; H158-L225 HydrophobicContact CB-CD2 4.4Å; I170-L225 HydrophobicContact CD1-CB 4.24Å; I170-L225 HydrophobicContact CD1-CD1 4.42Å; I170-L225 HydrophobicContact CD1-CD2 4.31Å; I170-L225 HydrophobicContact CG2-CB 3.61Å; A172-L225 PolarHBondContact O-N 3.4Å; H173-L225 CarbonylContact C-O 3.46Å; H173-L225 VanDerWaalsContact CA-O 3.28Å; H173-L225 WeakPolarHBondContact CA-O 3.33Å; I174-L225 PolarHBondContact N-O 2.92Å; L225-V227 HydrophobicContact CD2-CG2 3.84Å; L225-V227 HydrophobicContact CG-CG2 3.81Å
226I96.5Very high92.5Very high0 Ų042.9 Ų42.90%022%0.216CC..EExtended strand (participates in β ladder)trans-81.9117.9167.8-51.8167.3000107.9L151 Y152 I153 G154 I174 I238 A239L151-I226 HydrophobicContact CD1-CD1 3.78Å; L151-I226 HydrophobicContact CD1-CG1 3.82Å; L151-I226 HydrophobicContact CD2-CD1 4.24Å; L151-I226 HydrophobicContact CG-CD1 4.21Å; Y152-I226 PolarHBondContact O-N 2.84Å; I153-I226 HydrophobicContact CG1-CD1 4.26Å; G154-I226 PolarHBondContact N-O 2.88Å; I174-I226 HydrophobicContact CB-CB 4.44Å; I174-I226 HydrophobicContact CB-CG1 4.27Å; I174-I226 HydrophobicContact CB-CG2 4.21Å; I174-I226 HydrophobicContact CG1-CG1 4.14Å; I226-I238 HydrophobicContact CD1-CB 4.15Å; I226-I238 HydrophobicContact CD1-CG2 3.71Å; I226-I238 HydrophobicContact CG1-CG2 4.23Å; I226-I238 HydrophobicContact CG2-CB 4.4Å; I226-I238 HydrophobicContact CG2-CD1 3.95Å; I226-I238 HydrophobicContact CG2-CG2 4.41Å; I226-A239 HydrophobicContact CD1-CB 4Å
227V93.8Very high92.4Very high0 Ų039.3 Ų39.30%020%0.2CC..EExtended strand (participates in β ladder)trans-108.1121.1-176.4-174.40000109.5I156 A159 I174 Y176 A177 L225I156-V227 HydrophobicContact CG1-CG1 4.44Å; A159-V227 HydrophobicContact CB-CG1 3.83Å; A159-V227 HydrophobicContact CB-CG2 3.8Å; I174-V227 PolarHBondContact O-N 3.23Å; Y176-V227 PolarHBondContact N-O 3.26Å; A177-V227 HydrophobicContact CB-CG1 4.46Å; L225-V227 HydrophobicContact CD2-CG2 3.84Å; L225-V227 HydrophobicContact CG-CG2 3.81Å
228S90.7Very high92.5Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-133.2173.4170.261.70000110.9G154 T155 Q230 S235G154-S228 PolarHBondContact O-N 3.01Å; T155-S228 VanDerWaalsContact CA-O 3.31Å; T155-S228 WeakPolarHBondContact CA-O 3.26Å; S228-Q230 PolarHBondContact O-N 2.86Å; S228-Q230 VanDerWaalsContact OG-C 3.3Å; S228-Q230 PolarHBondContact OG-O 2.86Å; S228-S235 WeakPolarHBondContact CB-OG 3.35Å; S228-S235 PolarHBondContact OG-OG 3.24Å
229N86.1Confident92.6Very high107 Ų10735.3 Ų35.357%0.57218%0.184SC*.SBendtrans-65.7-31.9171.9-72.8-35.3000111.8I156I156-N229 WeakPolarHBondContact CD1-OD1 3.33Å
230Q84.8Confident92.7Very high100 Ų10028.9 Ų28.947%0.46715%0.151SC..SBendtrans-143128.4-174.5-70.5177.4-1800110.2S228 F232S228-Q230 PolarHBondContact O-N 2.86Å; S228-Q230 VanDerWaalsContact OG-C 3.3Å; S228-Q230 PolarHBondContact OG-O 2.86Å; Q230-F232 HydrophobicContact CB-CD1 4.11Å; Q230-F232 HydrophobicContact CB-CE1 3.68Å; Q230-F232 HydrophobicContact CB-CE2 4.14Å; Q230-F232 HydrophobicContact CB-CZ 3.71Å; Q230-F232 HydrophobicContact CG-CE1 3.95Å; Q230-F232 HydrophobicContact CG-CZ 3.8Å; Q230-F232 PolarHBondContact O-N 2.89Å
231I85.8Confident92.9Very high14 Ų1421.8 Ų21.87%0.07212%0.124CC..THydrogen-bonded Turntrans-65-13.7-172.665.5175.3000115.1K19 L144 I153 T155 I236K19-I231 WeakPolarHBondContact O-CD1 3.36Å; L144-I231 HydrophobicContact CD1-CD1 3.9Å; I153-I231 HydrophobicContact CG2-CB 3.92Å; I153-I231 HydrophobicContact CG2-CG2 4.22Å; T155-I231 HydrophobicContact CG2-CG2 3.59Å; I231-I236 WeakPolarHBondContact O-CD1 3.47Å; I231-I236 WeakPolarHBondContact O-CG1 3.33Å
232F84.4Confident93.2Very high27 Ų2718.7 Ų18.712%0.1189%0.092CC..THydrogen-bonded Turntrans-102.31-165.151.7-102.6000115.3F20 Q230 I236 P264 Q266F20-F232 AromaticContact CD2-CD1 3.64Å; F20-F232 HydrophobicContact CD2-CD1 3.64Å; F20-F232 AromaticContact CD2-CE1 3.51Å; F20-F232 HydrophobicContact CD2-CE1 3.51Å; F20-F232 HydrophobicContact CD2-CG 4.48Å; F20-F232 HydrophobicContact CD2-CZ 4.25Å; F20-F232 AromaticContact CE2-CD1 3.69Å; F20-F232 HydrophobicContact CE2-CD1 3.69Å; F20-F232 AromaticContact CE2-CE1 3.3Å; F20-F232 HydrophobicContact CE2-CE1 3.3Å; F20-F232 HydrophobicContact CE2-CE2 4.2Å; F20-F232 HydrophobicContact CE2-CG 4.27Å; F20-F232 AromaticContact CE2-CZ 3.58Å; F20-F232 HydrophobicContact CE2-CZ 3.58Å; F20-F232 HydrophobicContact CZ-CE1 4.45Å; F20-F232 HydrophobicContact CZ-CZ 4.44Å; Q230-F232 HydrophobicContact CB-CD1 4.11Å; Q230-F232 HydrophobicContact CB-CE1 3.68Å; Q230-F232 HydrophobicContact CB-CE2 4.14Å; Q230-F232 HydrophobicContact CB-CZ 3.71Å; Q230-F232 HydrophobicContact CG-CE1 3.95Å; Q230-F232 HydrophobicContact CG-CZ 3.8Å; Q230-F232 PolarHBondContact O-N 2.89Å; F232-I236 VanDerWaalsContact C-CG1 3.5Å; F232-P264 WeakPolarHBondContact CB-O 3.41Å; F232-Q266 CarbonylContact O-C 3.6Å; F232-Q266 PolarHBondContact O-N 2.82Å
233N88.7Confident93.5Very high32 Ų3215.5 Ų15.517%0.1718%0.078CC..THydrogen-bonded Turntrans-120.8-101.5-178-162.8-8.6000111.5S235 I236 V237 P267 F271N233-S235 VanDerWaalsContact C-N 3.31Å; N233-S235 PolarHBondContact O-N 3.07Å; N233-I236 WeakPolarHBondContact O-CA 3.36Å; N233-I236 VanDerWaalsContact O-CB 3.25Å; N233-I236 WeakPolarHBondContact O-CB 3.28Å; N233-I236 PolarHBondContact O-N 3.32Å; N233-V237 PolarHBondContact O-N 3.02Å; N233-P267 WeakPolarHBondContact OD1-CA 3.47Å; N233-F271 VanDerWaalsContact OD1-CD2 3.29Å; N233-F271 WeakPolarHBondContact OD1-CD2 3.42Å; N233-F271 WeakPolarHBondContact OD1-CE2 3.23Å
234Q92.3Very high93.7Very high39 Ų3915.3 Ų15.318%0.1828%0.076CC..Hα-helixtrans-63.2-33.6-169.9-63.889.7-11.300114Y176 I236 V237 I238 F271Y176-Q234 HydrophobicContact CD1-CB 3.67Å; Y176-Q234 HydrophobicContact CD1-CG 3.86Å; Y176-Q234 HydrophobicContact CD2-CB 4.33Å; Y176-Q234 HydrophobicContact CE1-CB 3.71Å; Y176-Q234 HydrophobicContact CE1-CG 3.33Å; Y176-Q234 HydrophobicContact CE2-CB 4.34Å; Y176-Q234 HydrophobicContact CE2-CG 4.25Å; Y176-Q234 HydrophobicContact CG-CB 4.06Å; Q234-I236 VanDerWaalsContact C-N 3.25Å; Q234-I236 PolarHBondContact O-N 2.86Å; Q234-V237 PolarHBondContact O-N 3Å; Q234-I238 WeakPolarHBondContact O-CG1 3.32Å; Q234-I238 PolarHBondContact O-N 2.9Å; Q234-I238 VanDerWaalsContact O-N 3.07Å; Q234-F271 HydrophobicContact CG-CE2 3.92Å; Q234-F271 HydrophobicContact CG-CZ 3.72Å
235S93.9Very high93.7Very high0 Ų016.6 Ų16.60%08%0.082CC..Hα-helixtrans-61.6-34.4173.7-62.10000113.2I153 S228 N233 A239I153-S235 VanDerWaalsContact CG2-CB 3.47Å; S228-S235 WeakPolarHBondContact CB-OG 3.35Å; S228-S235 PolarHBondContact OG-OG 3.24Å; N233-S235 VanDerWaalsContact C-N 3.31Å; N233-S235 PolarHBondContact O-N 3.07Å; S235-A239 WeakPolarHBondContact O-CB 3.4Å; S235-A239 PolarHBondContact O-N 3.41Å
236I95.5Very high93.8Very high0 Ų020.1 Ų20.10%010%0.095CC..Hα-helixtrans-66.3-43.2176.2-58.8-63.9000109.8I153 I231 F232 N233 Q234 A239 I240 L258 C262 M265 P267I153-I236 HydrophobicContact CD1-CD1 3.96Å; I231-I236 WeakPolarHBondContact O-CD1 3.47Å; I231-I236 WeakPolarHBondContact O-CG1 3.33Å; F232-I236 VanDerWaalsContact C-CG1 3.5Å; N233-I236 WeakPolarHBondContact O-CA 3.36Å; N233-I236 VanDerWaalsContact O-CB 3.25Å; N233-I236 WeakPolarHBondContact O-CB 3.28Å; N233-I236 PolarHBondContact O-N 3.32Å; Q234-I236 VanDerWaalsContact C-N 3.25Å; Q234-I236 PolarHBondContact O-N 2.86Å; I236-A239 PolarHBondContact O-N 3.01Å; I236-I240 HydrophobicContact CG2-CD1 3.8Å; I236-I240 HydrophobicContact CG2-CG1 4.37Å; I236-I240 WeakPolarHBondContact O-CG1 3.31Å; I236-I240 PolarHBondContact O-N 3.37Å; I236-L258 HydrophobicContact CD1-CD1 4.3Å; I236-L258 HydrophobicContact CG2-CD1 3.99Å; I236-C262 HydrophobicContact CD1-CB 3.85Å; I236-M265 HydrophobicContact CD1-CB 3.91Å; I236-M265 HydrophobicContact CG1-CB 3.95Å; I236-M265 HydrophobicContact CG2-CB 4.27Å; I236-M265 HydrophobicContact CG2-CE 3.68Å; I236-M265 HydrophobicContact CG2-SD 4.26Å; I236-P267 HydrophobicContact CG2-CG 4.09Å
237V95.9Very high93.9Very high0 Ų022.8 Ų22.80%011%0.108CC..Hα-helixtrans-61.6-47.8179.9-172.80000110.8L203 L207 N233 Q234 A239 I240 A241 P267 F271 L275L203-V237 HydrophobicContact CD2-CB 3.93Å; L203-V237 HydrophobicContact CD2-CG1 3.73Å; L207-V237 HydrophobicContact CD2-CG1 4.49Å; N233-V237 PolarHBondContact O-N 3.02Å; Q234-V237 PolarHBondContact O-N 3Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.64Å; V237-I240 PolarHBondContact O-N 3.49Å; V237-A241 PolarHBondContact O-N 3Å; V237-P267 HydrophobicContact CG2-CB 3.74Å; V237-F271 HydrophobicContact CG1-CB 4.13Å; V237-F271 HydrophobicContact CG1-CD1 4.25Å; V237-F271 HydrophobicContact CG1-CG 4.36Å; V237-F271 HydrophobicContact CG2-CB 3.53Å; V237-F271 HydrophobicContact CG2-CD1 4.13Å; V237-F271 HydrophobicContact CG2-CD2 3.8Å; V237-F271 HydrophobicContact CG2-CG 3.59Å; V237-L275 HydrophobicContact CG1-CD1 3.94Å; V237-L275 HydrophobicContact CG1-CD2 3.91Å; V237-L275 HydrophobicContact CG1-CG 3.84Å
238I97.1Very high94Very high1 Ų128.8 Ų28.81%0.00514%0.138CC..Hα-helixtrans-60.9-44.6177.3-65.1166.2000110.9I174 I195 L203 V210 I214 I226 Q234 A241 Y242I174-I238 HydrophobicContact CG2-CD1 4.01Å; I195-I238 HydrophobicContact CD1-CD1 3.68Å; I195-I238 HydrophobicContact CD1-CG1 4.39Å; L203-I238 HydrophobicContact CD2-CG1 4.05Å; V210-I238 HydrophobicContact CG1-CG2 3.52Å; I214-I238 HydrophobicContact CD1-CG2 4.19Å; I226-I238 HydrophobicContact CD1-CB 4.15Å; I226-I238 HydrophobicContact CD1-CG2 3.71Å; I226-I238 HydrophobicContact CG1-CG2 4.23Å; I226-I238 HydrophobicContact CG2-CB 4.4Å; I226-I238 HydrophobicContact CG2-CD1 3.95Å; I226-I238 HydrophobicContact CG2-CG2 4.41Å; Q234-I238 WeakPolarHBondContact O-CG1 3.32Å; Q234-I238 PolarHBondContact O-N 2.9Å; Q234-I238 VanDerWaalsContact O-N 3.07Å; I238-A241 PolarHBondContact O-N 2.83Å; I238-Y242 PolarHBondContact O-N 3.3Å
239A97.9Very high94.3Very high0 Ų030.9 Ų30.90%015%0.148CC..Hα-helixtrans-65-41.3178.600000112.2V146 L151 I153 I226 S235 I236 V237 Y242 L243 L258V146-A239 HydrophobicContact CG1-CB 4.4Å; V146-A239 HydrophobicContact CG2-CB 4.2Å; L151-A239 HydrophobicContact CD2-CB 4.44Å; I153-A239 HydrophobicContact CD1-CB 3.78Å; I153-A239 HydrophobicContact CG1-CB 4.4Å; I226-A239 HydrophobicContact CD1-CB 4Å; S235-A239 WeakPolarHBondContact O-CB 3.4Å; S235-A239 PolarHBondContact O-N 3.41Å; I236-A239 PolarHBondContact O-N 3.01Å; V237-A239 VanDerWaalsContact C-N 3.34Å; V237-A239 PolarHBondContact O-N 2.64Å; A239-Y242 PolarHBondContact O-N 3Å; A239-L243 VanDerWaalsContact O-CG 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 2.84Å; A239-L258 HydrophobicContact CB-CD1 3.64Å
240I97.8Very high94.8Very high0 Ų027.7 Ų27.70%013%0.134CC..Hα-helixtrans-61.7-45.9174.4-71.1170.8000110.8I236 V237 Y242 L243 I244 L251 A254 W255 L258 M265 L275I236-I240 HydrophobicContact CG2-CD1 3.8Å; I236-I240 HydrophobicContact CG2-CG1 4.37Å; I236-I240 WeakPolarHBondContact O-CG1 3.31Å; I236-I240 PolarHBondContact O-N 3.37Å; V237-I240 PolarHBondContact O-N 3.49Å; I240-Y242 VanDerWaalsContact C-N 3.26Å; I240-Y242 PolarHBondContact O-N 3.24Å; I240-L243 WeakPolarHBondContact O-CB 3.39Å; I240-L243 PolarHBondContact O-N 3.21Å; I240-L243 VanDerWaalsContact O-N 3.13Å; I240-I244 HydrophobicContact CG2-CD1 3.71Å; I240-I244 HydrophobicContact CG2-CG1 4.26Å; I240-I244 WeakPolarHBondContact O-CG1 3.46Å; I240-I244 PolarHBondContact O-N 3.37Å; I240-L251 HydrophobicContact CG2-CD1 3.76Å; I240-A254 HydrophobicContact CG2-CB 3.85Å; I240-W255 HydrophobicContact CD1-CE3 3.73Å; I240-W255 HydrophobicContact CD1-CZ3 4.29Å; I240-L258 HydrophobicContact CG1-CD1 3.76Å; I240-L258 HydrophobicContact CG1-CG 4.2Å; I240-M265 HydrophobicContact CD1-CE 4.37Å; I240-L275 HydrophobicContact CB-CD1 4Å; I240-L275 HydrophobicContact CB-CD2 4.35Å; I240-L275 HydrophobicContact CD1-CD1 4.15Å; I240-L275 HydrophobicContact CG2-CD1 3.68Å; I240-L275 HydrophobicContact CG2-CD2 4Å; I240-L275 HydrophobicContact CG2-CG 4.38Å
241A98.2Very high95.3Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-56.2-43.4177.200000111.5L207 V237 I238 L243 I244 K245 L275 F278L207-A241 HydrophobicContact CB-CB 4.16Å; L207-A241 HydrophobicContact CD1-CB 4.04Å; L207-A241 HydrophobicContact CD2-CB 3.77Å; L207-A241 HydrophobicContact CG-CB 4.2Å; V237-A241 PolarHBondContact O-N 3Å; I238-A241 PolarHBondContact O-N 2.83Å; A241-L243 PolarHBondContact O-N 3.42Å; A241-I244 PolarHBondContact O-N 3.03Å; A241-K245 PolarHBondContact O-N 3.02Å; A241-L275 HydrophobicContact CB-CD2 3.91Å; A241-F278 HydrophobicContact CB-CD1 4Å; A241-F278 HydrophobicContact CB-CE1 3.71Å; A241-F278 HydrophobicContact CB-CZ 4.42Å
242Y98.5Very high95.8Very high0 Ų026.5 Ų26.50%013%0.127CC..Hα-helixtrans-62.1-43.8176.6-176.9-97.9000112.5L147 L151 C211 I214 Q215 R218 I238 A239 I240 I244 K245 Y246L147-Y242 HydrophobicContact CD1-CD1 4Å; L147-Y242 HydrophobicContact CD1-CE1 3.51Å; L151-Y242 HydrophobicContact CD2-CD1 3.87Å; L151-Y242 HydrophobicContact CD2-CG 4.24Å; C211-Y242 HydrophobicContact CB-CD2 4.28Å; C211-Y242 WeakPolarHBondContact SG-CA 3.01Å; C211-Y242 PolarHBondContact SG-N 3.07Å; I214-Y242 HydrophobicContact CB-CD2 3.68Å; I214-Y242 HydrophobicContact CB-CE2 3.67Å; I214-Y242 HydrophobicContact CD1-CD2 4.05Å; I214-Y242 HydrophobicContact CD1-CG 4.27Å; I214-Y242 HydrophobicContact CG1-CD2 4.48Å; I214-Y242 HydrophobicContact CG2-CD1 4.44Å; I214-Y242 HydrophobicContact CG2-CD2 3.6Å; I214-Y242 HydrophobicContact CG2-CE1 4.25Å; I214-Y242 HydrophobicContact CG2-CE2 3.38Å; I214-Y242 HydrophobicContact CG2-CG 4.14Å; Q215-Y242 HydrophobicContact CB-CE2 4.25Å; Q215-Y242 PolarHBondContact OE1-OH 3.08Å; R218-Y242 WeakPolarHBondContact CD-OH 3.44Å; R218-Y242 PolarHBondContact NH1-OH 3.14Å; I238-Y242 PolarHBondContact O-N 3.3Å; A239-Y242 PolarHBondContact O-N 3Å; I240-Y242 VanDerWaalsContact C-N 3.26Å; I240-Y242 PolarHBondContact O-N 3.24Å; Y242-I244 VanDerWaalsContact C-N 3.3Å; Y242-I244 PolarHBondContact O-N 3.14Å; Y242-K245 PolarHBondContact O-N 2.66Å; Y242-Y246 AromaticContact CD2-CD2 3.84Å; Y242-Y246 HydrophobicContact CD2-CD2 3.84Å; Y242-Y246 AromaticContact CE2-CD2 3.56Å; Y242-Y246 HydrophobicContact CE2-CD2 3.56Å; Y242-Y246 HydrophobicContact CE2-CE2 4.46Å; Y242-Y246 AromaticContact CE2-CG 3.97Å; Y242-Y246 HydrophobicContact CE2-CG 3.97Å; Y242-Y246 PolarHBondContact O-N 3.1Å
243L98.4Very high96.3Very high0 Ų029.5 Ų29.50%014%0.144CC..Hα-helixtrans-62.1-37.3176.5-65.7171.6000112V146 L147 A239 I240 A241 E247 M248 M249 A254 Y257 L258V146-L243 HydrophobicContact CG1-CD1 4.48Å; V146-L243 HydrophobicContact CG1-CD2 4.39Å; L147-L243 HydrophobicContact CD1-CD2 4.37Å; L147-L243 HydrophobicContact CD2-CD2 4.34Å; L147-L243 HydrophobicContact CG-CD2 4.42Å; A239-L243 VanDerWaalsContact O-CG 3.3Å; A239-L243 WeakPolarHBondContact O-CG 3.43Å; A239-L243 PolarHBondContact O-N 2.84Å; I240-L243 WeakPolarHBondContact O-CB 3.39Å; I240-L243 PolarHBondContact O-N 3.21Å; I240-L243 VanDerWaalsContact O-N 3.13Å; A241-L243 PolarHBondContact O-N 3.42Å; L243-E247 HydrophobicContact CD2-CB 4.14Å; L243-E247 HydrophobicContact CD2-CG 3.71Å; L243-E247 CarbonylContact O-C 3.37Å; L243-E247 WeakPolarHBondContact O-CA 3.48Å; L243-E247 VanDerWaalsContact O-CB 3.31Å; L243-E247 WeakPolarHBondContact O-CB 3.13Å; L243-E247 PolarHBondContact O-N 2.88Å; L243-E247 VanDerWaalsContact O-N 3.15Å; L243-M248 PolarHBondContact O-N 3.26Å; L243-M249 HydrophobicContact CB-SD 4.06Å; L243-M249 HydrophobicContact CD1-SD 4.39Å; L243-M249 HydrophobicContact CD2-CE 4.27Å; L243-M249 HydrophobicContact CD2-SD 4.29Å; L243-M249 HydrophobicContact CG-SD 4.47Å; L243-M249 PolarHBondContact O-N 3.09Å; L243-M249 VanDerWaalsContact O-N 3.15Å; L243-A254 HydrophobicContact CB-CB 3.81Å; L243-A254 HydrophobicContact CD1-CB 4.09Å; L243-Y257 HydrophobicContact CD1-CD1 3.57Å; L243-Y257 HydrophobicContact CD1-CE1 4.11Å; L243-Y257 HydrophobicContact CD2-CD1 4.3Å; L243-Y257 HydrophobicContact CD2-CE1 4.16Å; L243-L258 HydrophobicContact CD1-CD2 3.91Å; L243-L258 HydrophobicContact CD1-CG 3.91Å
244I98.1Very high96.7Very high0 Ų028 Ų280%014%0.136CC..Hα-helixtrans-66.8-50176.6-65.6165.9000110.9I240 A241 Y242 M249 L251 A254 E279 L282I240-I244 HydrophobicContact CG2-CD1 3.71Å; I240-I244 HydrophobicContact CG2-CG1 4.26Å; I240-I244 WeakPolarHBondContact O-CG1 3.46Å; I240-I244 PolarHBondContact O-N 3.37Å; A241-I244 PolarHBondContact O-N 3.03Å; Y242-I244 VanDerWaalsContact C-N 3.3Å; Y242-I244 PolarHBondContact O-N 3.14Å; I244-M249 WeakPolarHBondContact CA-O 3.32Å; I244-L251 HydrophobicContact CD1-CB 4.13Å; I244-L251 HydrophobicContact CD1-CD1 4.1Å; I244-A254 HydrophobicContact CG1-CB 4.19Å; I244-E279 HydrophobicContact CG2-CB 4.08Å; I244-E279 HydrophobicContact CG2-CG 4.08Å; I244-L282 HydrophobicContact CG2-CD1 3.98Å
245K98.1Very high96.9Very high29 Ų2926.3 Ų26.313%0.12613%0.128CC..Hα-helixtrans-69.7-50.9-174.9-171.1170.8179.6174.70112.2D208 C211 D212 A241 Y242 F278 L282D208-K245 PolarHBondContact O-NZ 3.43Å; D208-K245 WeakPolarHBondContact OD1-CE 3.35Å; D208-K245 IonicContact OD1-NZ 3.74Å; D208-K245 PolarHBondContact OD1-NZ 2.82Å; D208-K245 IonicContact OD2-NZ 3.1Å; D208-K245 PolarHBondContact OD2-NZ 3.27Å; C211-K245 HydrophobicContact CB-CB 4.36Å; C211-K245 HydrophobicContact CB-CD 3.71Å; D212-K245 WeakPolarHBondContact OD1-CE 3.29Å; D212-K245 IonicContact OD1-NZ 2.96Å; D212-K245 PolarHBondContact OD1-NZ 2.84Å; D212-K245 IonicContact OD2-NZ 2.66Å; D212-K245 PolarHBondContact OD2-NZ 2.99Å; D212-K245 VanDerWaalsContact OD2-NZ 3.1Å; A241-K245 PolarHBondContact O-N 3.02Å; Y242-K245 PolarHBondContact O-N 2.66Å; K245-F278 HydrophobicContact CB-CE1 4.37Å; K245-F278 HydrophobicContact CB-CZ 4.37Å; K245-F278 HydrophobicContact CD-CZ 4.31Å; K245-L282 HydrophobicContact CB-CD1 3.84Å; K245-L282 HydrophobicContact CD-CD2 4.13Å; K245-L282 HydrophobicContact CG-CD1 4.11Å; K245-L282 HydrophobicContact CG-CD2 4.11Å
246Y97.9Very high96.9Very high73 Ų7330.9 Ų30.929%0.28615%0.15SC..Hα-helixtrans-109.2-23.6-166.4-76.8-67.7000115.4C211 D212 Q215 Y242C211-Y246 HydrophobicContact CB-CD2 4.14Å; C211-Y246 HydrophobicContact CB-CE2 3.99Å; C211-Y246 WeakPolarHBondContact O-CE2 3.49Å; D212-Y246 WeakPolarHBondContact OD1-CE2 3.38Å; D212-Y246 VanDerWaalsContact OD1-CZ 3.3Å; D212-Y246 PolarHBondContact OD1-OH 2.82Å; Q215-Y246 HydrophobicContact CB-CD1 4.16Å; Q215-Y246 HydrophobicContact CB-CD2 3.88Å; Q215-Y246 HydrophobicContact CB-CE1 3.84Å; Q215-Y246 HydrophobicContact CB-CE2 3.52Å; Q215-Y246 HydrophobicContact CB-CG 4.18Å; Q215-Y246 VanDerWaalsContact CB-CZ 3.48Å; Q215-Y246 VanDerWaalsContact CD-CD1 3.49Å; Q215-Y246 HydrophobicContact CG-CD1 3.72Å; Q215-Y246 HydrophobicContact CG-CD2 4.37Å; Q215-Y246 HydrophobicContact CG-CE1 3.39Å; Q215-Y246 HydrophobicContact CG-CE2 4.08Å; Q215-Y246 HydrophobicContact CG-CG 4.2Å; Y242-Y246 AromaticContact CD2-CD2 3.84Å; Y242-Y246 HydrophobicContact CD2-CD2 3.84Å; Y242-Y246 AromaticContact CE2-CD2 3.56Å; Y242-Y246 HydrophobicContact CE2-CD2 3.56Å; Y242-Y246 HydrophobicContact CE2-CE2 4.46Å; Y242-Y246 AromaticContact CE2-CG 3.97Å; Y242-Y246 HydrophobicContact CE2-CG 3.97Å; Y242-Y246 PolarHBondContact O-N 3.1Å
247E97.3Very high96.9Very high57 Ų5734.4 Ų34.427%0.26616%0.164SC..SBendtrans-95.84.1170.9-61-62.4145.800112.8L147 R218 L243 M249L147-E247 HydrophobicContact CD1-CG 4.05Å; L147-E247 HydrophobicContact CD2-CG 4.43Å; R218-E247 IonicContact CZ-OE1 2.66Å; R218-E247 IonicContact NH1-OE1 3.1Å; R218-E247 PolarHBondContact NH1-OE1 3.18Å; R218-E247 IonicContact NH2-OE1 3.34Å; R218-E247 PolarHBondContact NH2-OE1 2.98Å; L243-E247 HydrophobicContact CD2-CB 4.14Å; L243-E247 HydrophobicContact CD2-CG 3.71Å; L243-E247 CarbonylContact O-C 3.37Å; L243-E247 WeakPolarHBondContact O-CA 3.48Å; L243-E247 VanDerWaalsContact O-CB 3.31Å; L243-E247 WeakPolarHBondContact O-CB 3.13Å; L243-E247 PolarHBondContact O-N 2.88Å; L243-E247 VanDerWaalsContact O-N 3.15Å; E247-M249 HydrophobicContact CB-CE 4.11Å; E247-M249 HydrophobicContact CB-CG 4.12Å; E247-M249 PolarHBondContact O-N 2.7Å; E247-M249 VanDerWaalsContact O-N 3.15Å
248M96.2Very high97Very high126 Ų12634.4 Ų34.462%0.62116%0.164SC*.  trans57.927.8176-50.5-73.9-6100113.3L243 R284L243-M248 PolarHBondContact O-N 3.26Å; M248-R284 PolarHBondContact SD-NH1 3.19Å
249M96.9Very high96.8Very high43 Ų4337.3 Ų37.321%0.21218%0.175CC..  trans-82.4149177.5-62.1-169.4-176.600110.4L243 I244 E247 N253 A254 Y257L243-M249 HydrophobicContact CB-SD 4.06Å; L243-M249 HydrophobicContact CD1-SD 4.39Å; L243-M249 HydrophobicContact CD2-CE 4.27Å; L243-M249 HydrophobicContact CD2-SD 4.29Å; L243-M249 HydrophobicContact CG-SD 4.47Å; L243-M249 PolarHBondContact O-N 3.09Å; L243-M249 VanDerWaalsContact O-N 3.15Å; I244-M249 WeakPolarHBondContact CA-O 3.32Å; E247-M249 HydrophobicContact CB-CE 4.11Å; E247-M249 HydrophobicContact CB-CG 4.12Å; E247-M249 PolarHBondContact O-N 2.7Å; E247-M249 VanDerWaalsContact O-N 3.15Å; M249-N253 HydrophobicContact CB-CB 4.2Å; M249-A254 HydrophobicContact CB-CB 4.04Å; M249-A254 HydrophobicContact SD-CB 4.36Å; M249-Y257 HydrophobicContact CE-CD2 4.43Å; M249-Y257 HydrophobicContact CE-CG 4.36Å; M249-Y257 HydrophobicContact SD-CG 4.4Å
250S96.4Very high96.6Very high41 Ų4145.7 Ų45.729%0.28721%0.212SC..  trans-71.7161.2162.763.10000110.8K252 N253 A254 E279S250-K252 PolarHBondContact O-N 3.25Å; S250-N253 PolarHBondContact O-N 2.99Å; S250-N253 WeakPolarHBondContact OG-CB 3.36Å; S250-N253 VanDerWaalsContact OG-CG 3.3Å; S250-N253 PolarHBondContact OG-N 2.83Å; S250-N253 PolarHBondContact OG-ND2 2.77Å; S250-A254 WeakPolarHBondContact O-CB 3.49Å; S250-A254 PolarHBondContact O-N 3.31Å; S250-E279 WeakPolarHBondContact CA-OE1 3.18Å; S250-E279 WeakPolarHBondContact CB-OE1 3.35Å
251L96.7Very high96.5Very high1 Ų146.3 Ų46.31%0.00522%0.215CC..Hα-helixtrans-50.6-45.4173172.855.7000111.5I240 I244 N253 A254 W255 M272 L275 A276 E279 L291I240-L251 HydrophobicContact CG2-CD1 3.76Å; I244-L251 HydrophobicContact CD1-CB 4.13Å; I244-L251 HydrophobicContact CD1-CD1 4.1Å; L251-N253 PolarHBondContact O-N 2.89Å; L251-A254 PolarHBondContact O-N 3.27Å; L251-W255 VanDerWaalsContact O-CB 3.23Å; L251-W255 WeakPolarHBondContact O-CB 3.34Å; L251-W255 PolarHBondContact O-N 3.23Å; L251-M272 HydrophobicContact CD1-CE 3.88Å; L251-L275 HydrophobicContact CD1-CB 3.71Å; L251-L275 HydrophobicContact CD1-CD1 4Å; L251-L275 HydrophobicContact CD1-CG 4.46Å; L251-L275 HydrophobicContact CD2-CB 4.24Å; L251-A276 HydrophobicContact CD2-CB 3.82Å; L251-E279 VanDerWaalsContact CB-OE2 3.25Å; L251-E279 WeakPolarHBondContact CB-OE2 3.25Å; L251-E279 PolarHBondContact N-OE1 3.43Å; L251-E279 PolarHBondContact N-OE2 2.9Å; L251-L291 HydrophobicContact CD2-CG 4.2Å; L251-L291 HydrophobicContact CG-CD2 4.09Å; L251-L291 HydrophobicContact CG-CG 4.12Å
252K95.3Very high96.4Very high88 Ų8846.3 Ų46.338%0.38322%0.215SC..Hα-helixtrans-58.4-47.9175.9-177.9177.5-178.9163.60112.9S250 W255 M256 L291 E295S250-K252 PolarHBondContact O-N 3.25Å; K252-W255 WeakPolarHBondContact O-CB 3.36Å; K252-W255 PolarHBondContact O-N 2.97Å; K252-M256 HydrophobicContact CG-SD 4.11Å; K252-M256 VanDerWaalsContact O-CG 3.3Å; K252-M256 WeakPolarHBondContact O-CG 3.48Å; K252-M256 PolarHBondContact O-N 3.4Å; K252-L291 HydrophobicContact CB-CD2 3.84Å; K252-L291 HydrophobicContact CG-CD2 4.36Å; K252-E295 WeakPolarHBondContact CD-OE1 3.32Å; K252-E295 VanDerWaalsContact CE-OE1 3.23Å; K252-E295 WeakPolarHBondContact CE-OE1 3.34Å; K252-E295 IonicContact NZ-OE1 3.04Å; K252-E295 PolarHBondContact NZ-OE1 3.21Å
253N96.1Very high96.1Very high90 Ų9049.2 Ų49.248%0.48123%0.23SC..Hα-helixtrans-68.2-41.6-178.4-72.5-12.8000111.5M249 S250 L251 M256 Y257M249-N253 HydrophobicContact CB-CB 4.2Å; S250-N253 PolarHBondContact O-N 2.99Å; S250-N253 WeakPolarHBondContact OG-CB 3.36Å; S250-N253 VanDerWaalsContact OG-CG 3.3Å; S250-N253 PolarHBondContact OG-N 2.83Å; S250-N253 PolarHBondContact OG-ND2 2.77Å; L251-N253 PolarHBondContact O-N 2.89Å; N253-M256 PolarHBondContact O-N 3.5Å; N253-Y257 WeakPolarHBondContact O-CB 3.36Å; N253-Y257 PolarHBondContact O-N 2.77Å
254A97.3Very high95.8Very high0 Ų050.1 Ų50.10%024%0.236CC..Hα-helixtrans-64.2-40.5176.500000112I240 L243 I244 M249 S250 L251 Y257 L258I240-A254 HydrophobicContact CG2-CB 3.85Å; L243-A254 HydrophobicContact CB-CB 3.81Å; L243-A254 HydrophobicContact CD1-CB 4.09Å; I244-A254 HydrophobicContact CG1-CB 4.19Å; M249-A254 HydrophobicContact CB-CB 4.04Å; M249-A254 HydrophobicContact SD-CB 4.36Å; S250-A254 WeakPolarHBondContact O-CB 3.49Å; S250-A254 PolarHBondContact O-N 3.31Å; L251-A254 PolarHBondContact O-N 3.27Å; A254-Y257 PolarHBondContact O-N 2.85Å; A254-L258 PolarHBondContact O-N 3.2Å
255W95.1Very high95.6Very high3 Ų350.7 Ų50.71%0.01124%0.238CC..Hα-helixtrans-58.7-54.1173.1175.8-108000112.2I240 L251 K252 Y257 L258 R259 M265 P267 M272 L291 E295 Y296I240-W255 HydrophobicContact CD1-CE3 3.73Å; I240-W255 HydrophobicContact CD1-CZ3 4.29Å; L251-W255 VanDerWaalsContact O-CB 3.23Å; L251-W255 WeakPolarHBondContact O-CB 3.34Å; L251-W255 PolarHBondContact O-N 3.23Å; K252-W255 WeakPolarHBondContact O-CB 3.36Å; K252-W255 PolarHBondContact O-N 2.97Å; W255-Y257 VanDerWaalsContact C-N 3.26Å; W255-Y257 PolarHBondContact O-N 3.45Å; W255-L258 PolarHBondContact O-N 2.69Å; W255-R259 VanDerWaalsContact CE2-NH2 3.33Å; W255-R259 WeakPolarHBondContact O-CB 3.47Å; W255-R259 PolarHBondContact O-N 2.78Å; W255-M265 HydrophobicContact CD2-CE 3.67Å; W255-M265 HydrophobicContact CE3-CE 3.12Å; W255-M265 HydrophobicContact CH2-CE 3.6Å; W255-M265 HydrophobicContact CZ2-CE 4.14Å; W255-M265 HydrophobicContact CZ3-CE 3.05Å; W255-P267 HydrophobicContact CH2-CG 3.85Å; W255-P267 HydrophobicContact CZ3-CG 3.42Å; W255-P267 VanDerWaalsContact CZ3-CG 3.42Å; W255-M272 HydrophobicContact CD2-CE 4.05Å; W255-M272 HydrophobicContact CE3-CE 3.38Å; W255-M272 HydrophobicContact CE3-SD 3.98Å; W255-M272 HydrophobicContact CH2-CE 4.36Å; W255-M272 HydrophobicContact CH2-SD 4.22Å; W255-M272 HydrophobicContact CZ3-CE 3.59Å; W255-M272 HydrophobicContact CZ3-SD 3.54Å; W255-M272 VanDerWaalsContact CZ3-SD 3.54Å; W255-L291 HydrophobicContact CB-CD1 4Å; W255-L291 HydrophobicContact CD2-CD1 3.77Å; W255-L291 HydrophobicContact CE3-CD1 4.33Å; W255-L291 HydrophobicContact CG-CD1 3.59Å; W255-E295 PolarHBondContact NE1-O 3.43Å; W255-E295 VanDerWaalsContact NE1-O 3.11Å; W255-Y296 AromaticContact CH2-CD2 3.57Å; W255-Y296 HydrophobicContact CH2-CD2 3.57Å; W255-Y296 AromaticContact CH2-CE2 3.27Å; W255-Y296 HydrophobicContact CH2-CE2 3.27Å; W255-Y296 AromaticContact CZ2-CD2 3.36Å; W255-Y296 HydrophobicContact CZ2-CD2 3.36Å; W255-Y296 AromaticContact CZ2-CE2 3.55Å; W255-Y296 HydrophobicContact CZ2-CE2 3.55Å; W255-Y296 HydrophobicContact CZ2-CG 4.03Å; W255-Y296 HydrophobicContact CZ3-CD2 4.46Å; W255-Y296 HydrophobicContact CZ3-CE2 4.2Å
256M94.7Very high95.2Very high96 Ų9655.2 Ų55.247%0.47326%0.26SS..Hα-helixtrans-62.3-35.4179-70.1177.370.600112K252 N253K252-M256 HydrophobicContact CG-SD 4.11Å; K252-M256 VanDerWaalsContact O-CG 3.3Å; K252-M256 WeakPolarHBondContact O-CG 3.48Å; K252-M256 PolarHBondContact O-N 3.4Å; N253-M256 PolarHBondContact O-N 3.5Å
257Y96.1Very high94.9Very high75 Ų7551.8 Ų51.829%0.29425%0.246SC..Hα-helixtrans-64.5-53.1176.4178.3-100.4000111.5V146 L243 M249 N253 A254 W255 R259 K260 I261V146-Y257 HydrophobicContact CG1-CE1 4.42Å; V146-Y257 PolarHBondContact O-OH 3.21Å; L243-Y257 HydrophobicContact CD1-CD1 3.57Å; L243-Y257 HydrophobicContact CD1-CE1 4.11Å; L243-Y257 HydrophobicContact CD2-CD1 4.3Å; L243-Y257 HydrophobicContact CD2-CE1 4.16Å; M249-Y257 HydrophobicContact CE-CD2 4.43Å; M249-Y257 HydrophobicContact CE-CG 4.36Å; M249-Y257 HydrophobicContact SD-CG 4.4Å; N253-Y257 WeakPolarHBondContact O-CB 3.36Å; N253-Y257 PolarHBondContact O-N 2.77Å; A254-Y257 PolarHBondContact O-N 2.85Å; W255-Y257 VanDerWaalsContact C-N 3.26Å; W255-Y257 PolarHBondContact O-N 3.45Å; Y257-R259 VanDerWaalsContact C-N 3.28Å; Y257-R259 PolarHBondContact O-N 3.23Å; Y257-K260 PolarHBondContact O-N 3.32Å; Y257-I261 HydrophobicContact CD1-CD1 3.94Å; Y257-I261 HydrophobicContact CE1-CD1 3.33Å; Y257-I261 HydrophobicContact CE2-CD1 4.3Å
258L96Very high94.5Very high0 Ų051.3 Ų51.30%025%0.249CC..Hα-helixtrans-66.3-29178.8-77.1-154.9000113.4V146 I236 A239 I240 L243 A254 W255 K260 I261 C262 M265V146-L258 HydrophobicContact CB-CD2 4.36Å; V146-L258 HydrophobicContact CG1-CD2 3.64Å; V146-L258 HydrophobicContact CG2-CD2 4.01Å; I236-L258 HydrophobicContact CD1-CD1 4.3Å; I236-L258 HydrophobicContact CG2-CD1 3.99Å; A239-L258 HydrophobicContact CB-CD1 3.64Å; I240-L258 HydrophobicContact CG1-CD1 3.76Å; I240-L258 HydrophobicContact CG1-CG 4.2Å; L243-L258 HydrophobicContact CD1-CD2 3.91Å; L243-L258 HydrophobicContact CD1-CG 3.91Å; A254-L258 PolarHBondContact O-N 3.2Å; W255-L258 PolarHBondContact O-N 2.69Å; L258-K260 PolarHBondContact O-N 3.04Å; L258-I261 HydrophobicContact CD2-CB 4.47Å; L258-I261 HydrophobicContact CD2-CD1 4.11Å; L258-I261 CarbonylContact O-C 3.43Å; L258-I261 WeakPolarHBondContact O-CA 3.38Å; L258-I261 PolarHBondContact O-N 3.17Å; L258-C262 PolarHBondContact O-N 3.04Å; L258-M265 HydrophobicContact CB-CE 4.4Å; L258-M265 HydrophobicContact CB-SD 3.88Å
259R94Very high94.3Very high62 Ų6250.1 Ų50.123%0.23424%0.238CC..Hα-helixtrans-61.2-28.8176.3-175.8166-73.5-155.1-11.3113W255 Y257 I261 M265 Y296 D298W255-R259 VanDerWaalsContact CE2-NH2 3.33Å; W255-R259 WeakPolarHBondContact O-CB 3.47Å; W255-R259 PolarHBondContact O-N 2.78Å; Y257-R259 VanDerWaalsContact C-N 3.28Å; Y257-R259 PolarHBondContact O-N 3.23Å; R259-I261 VanDerWaalsContact C-N 3.35Å; R259-M265 WeakPolarHBondContact CA-SD 3.31Å; R259-M265 HydrophobicContact CB-SD 3.9Å; R259-M265 PolarHBondContact N-SD 2.67Å; R259-Y296 VanDerWaalsContact CZ-O 3.29Å; R259-Y296 PolarHBondContact NH1-O 2.93Å; R259-Y296 VanDerWaalsContact NH1-O 3.07Å; R259-Y296 PolarHBondContact NH2-O 2.82Å; R259-D298 VanDerWaalsContact NH1-CB 3.28Å
260K93.5Very high94Very high176 Ų17651.6 Ų51.677%0.76525%0.247SC*.Hα-helixtrans-75.8-24.5172.2-63177.3-177.9-177.20112.8Y257 L258Y257-K260 PolarHBondContact O-N 3.32Å; L258-K260 PolarHBondContact O-N 3.04Å
261I95.6Very high93.9Very high12 Ų1250 Ų506%0.06224%0.235CC..Hα-helixtrans-91.9-37.9-176.7-68.4177.3000112Q18 L144 E145 Y257 L258 R259Q18-I261 PolarHBondContact NE2-O 2.88Å; L144-I261 HydrophobicContact CB-CG2 4.36Å; E145-I261 WeakPolarHBondContact O-CG2 3.37Å; Y257-I261 HydrophobicContact CD1-CD1 3.94Å; Y257-I261 HydrophobicContact CE1-CD1 3.33Å; Y257-I261 HydrophobicContact CE2-CD1 4.3Å; L258-I261 HydrophobicContact CD2-CB 4.47Å; L258-I261 HydrophobicContact CD2-CD1 4.11Å; L258-I261 CarbonylContact O-C 3.43Å; L258-I261 WeakPolarHBondContact O-CA 3.38Å; L258-I261 PolarHBondContact O-N 3.17Å; R259-I261 VanDerWaalsContact C-N 3.35Å
262C95.5Very high93.8Very high1 Ų150 Ų501%0.00724%0.235CC..  trans-128.695.3-178.7-174.70000108.9L144 I236 L258 M265L144-C262 HydrophobicContact CD1-CB 3.69Å; I236-C262 HydrophobicContact CD1-CB 3.85Å; L258-C262 PolarHBondContact O-N 3.04Å; C262-M265 HydrophobicContact CB-CB 4.23Å; C262-M265 WeakPolarHBondContact O-CB 3.38Å; C262-M265 WeakPolarHBondContact O-CG 3.4Å; C262-M265 PolarHBondContact O-N 3.24Å
263I93.4Very high93.8Very high60 Ų6049.8 Ų49.831%0.30824%0.237SC..THydrogen-bonded Turntrans-58.9-44.4-178.5-60175.9000112.4Q18 F24 Y30 W73 M265Q18-I263 HydrophobicContact CG-CD1 4.05Å; Q18-I263 HydrophobicContact CG-CG1 4.41Å; F24-I263 HydrophobicContact CD2-CD1 4.32Å; F24-I263 HydrophobicContact CE2-CB 3.95Å; F24-I263 HydrophobicContact CE2-CD1 4.17Å; F24-I263 HydrophobicContact CE2-CG2 3.95Å; Y30-I263 HydrophobicContact CE2-CD1 3.8Å; W73-I263 HydrophobicContact CH2-CD1 4.33Å; W73-I263 HydrophobicContact CH2-CG2 4.27Å; W73-I263 HydrophobicContact CZ3-CD1 4.35Å; I263-M265 PolarHBondContact O-N 2.97Å
264P92.3Very high93.7Very high20 Ų2046 Ų4613%0.1322%0.216CC..THydrogen-bonded Turntrans-81.611.8-17734.1-36.7000113.7F20 F24 F232 Q266F20-P264 HydrophobicContact CB-CB 4.03Å; F20-P264 HydrophobicContact CB-CG 4.3Å; F20-P264 HydrophobicContact CD2-CB 3.66Å; F20-P264 HydrophobicContact CD2-CG 4.36Å; F20-P264 HydrophobicContact CE2-CB 4.4Å; F20-P264 HydrophobicContact CG-CB 4.06Å; F24-P264 HydrophobicContact CZ-CB 4.44Å; F24-P264 HydrophobicContact CZ-CG 4.4Å; F232-P264 WeakPolarHBondContact CB-O 3.41Å; P264-Q266 PolarHBondContact O-N 3.45Å
265M93.4Very high93.7Very high11 Ų1146 Ų465%0.05422%0.216CC..  trans-58130.1-17768.5178.5-92.900112.1I236 I240 W255 L258 R259 C262 I263I236-M265 HydrophobicContact CD1-CB 3.91Å; I236-M265 HydrophobicContact CG1-CB 3.95Å; I236-M265 HydrophobicContact CG2-CB 4.27Å; I236-M265 HydrophobicContact CG2-CE 3.68Å; I236-M265 HydrophobicContact CG2-SD 4.26Å; I240-M265 HydrophobicContact CD1-CE 4.37Å; W255-M265 HydrophobicContact CD2-CE 3.67Å; W255-M265 HydrophobicContact CE3-CE 3.12Å; W255-M265 HydrophobicContact CH2-CE 3.6Å; W255-M265 HydrophobicContact CZ2-CE 4.14Å; W255-M265 HydrophobicContact CZ3-CE 3.05Å; L258-M265 HydrophobicContact CB-CE 4.4Å; L258-M265 HydrophobicContact CB-SD 3.88Å; R259-M265 WeakPolarHBondContact CA-SD 3.31Å; R259-M265 HydrophobicContact CB-SD 3.9Å; R259-M265 PolarHBondContact N-SD 2.67Å; C262-M265 HydrophobicContact CB-CB 4.23Å; C262-M265 WeakPolarHBondContact O-CB 3.38Å; C262-M265 WeakPolarHBondContact O-CG 3.4Å; C262-M265 PolarHBondContact O-N 3.24Å; I263-M265 PolarHBondContact O-N 2.97Å
266Q89.7Confident93.8Very high125 Ų12545.9 Ų45.958%0.58422%0.216SC*.  trans-153.157.8-176.8-162.6-178.413.400111F232 P264F232-Q266 CarbonylContact O-C 3.6Å; F232-Q266 PolarHBondContact O-N 2.82Å; P264-Q266 PolarHBondContact O-N 3.45Å
267P91.4Very high93.9Very high0 Ų044.2 Ų44.20%021%0.207CC..  trans-63145.5172.628.7-34000110.3N233 I236 V237 W255 F271 M272 Y296N233-P267 WeakPolarHBondContact OD1-CA 3.47Å; I236-P267 HydrophobicContact CG2-CG 4.09Å; V237-P267 HydrophobicContact CG2-CB 3.74Å; W255-P267 HydrophobicContact CH2-CG 3.85Å; W255-P267 HydrophobicContact CZ3-CG 3.42Å; W255-P267 VanDerWaalsContact CZ3-CG 3.42Å; P267-F271 HydrophobicContact CB-CB 4.4Å; P267-F271 HydrophobicContact CB-CD2 4.42Å; P267-M272 HydrophobicContact CB-SD 4.44Å; P267-M272 HydrophobicContact CG-SD 3.83Å; P267-Y296 PolarHBondContact O-OH 2.66Å
268S89.8Confident94Very high47 Ų4740.8 Ų40.833%0.32919%0.194SC..  trans-60.6155.1-179.675.50000112.7N270 F271 M272S268-N270 PolarHBondContact O-N 3.36Å; S268-F271 WeakPolarHBondContact O-CB 3.04Å; S268-F271 PolarHBondContact O-N 3.13Å; S268-F271 VanDerWaalsContact OG-CD2 3.24Å; S268-F271 WeakPolarHBondContact OG-CD2 3.31Å; S268-F271 PolarHBondContact OG-N 3Å; S268-M272 PolarHBondContact O-N 3.34Å
269W90.5Very high94.1Very high101 Ų10141.2 Ų41.238%0.38320%0.196SC..Hα-helixtrans-56.3-34.4174.5-172.2-104000112.7F271 M272 I273 L291 E293 Y296W269-F271 VanDerWaalsContact C-N 3.3Å; W269-F271 PolarHBondContact O-N 2.59Å; W269-M272 WeakPolarHBondContact O-CB 3.38Å; W269-M272 PolarHBondContact O-N 3.15Å; W269-I273 PolarHBondContact O-N 2.84Å; W269-L291 VanDerWaalsContact CH2-O 3.27Å; W269-L291 WeakPolarHBondContact CH2-O 3.45Å; W269-E293 HydrophobicContact CH2-CG 4.48Å; W269-Y296 HydrophobicContact CE3-CD1 4.47Å; W269-Y296 HydrophobicContact CE3-CD2 4.16Å; W269-Y296 HydrophobicContact CE3-CE2 4.5Å; W269-Y296 HydrophobicContact CE3-CG 4.15Å; W269-Y296 HydrophobicContact CZ3-CD1 4.43Å; W269-Y296 HydrophobicContact CZ3-CD2 4.12Å; W269-Y296 AromaticContact CZ3-CG 3.87Å; W269-Y296 HydrophobicContact CZ3-CG 3.87Å
270N92.2Very high94.2Very high74 Ų7443.1 Ų43.140%0.39620%0.204SC..Hα-helixtrans-58.4-41.1175.1-173.752.8000112.2S268 M272 I273 Q274S268-N270 PolarHBondContact O-N 3.36Å; N270-M272 VanDerWaalsContact C-N 3.31Å; N270-M272 PolarHBondContact O-N 2.81Å; N270-I273 PolarHBondContact O-N 3.4Å; N270-Q274 PolarHBondContact ND2-NE2 3.37Å; N270-Q274 WeakPolarHBondContact O-CG 3.22Å; N270-Q274 PolarHBondContact O-N 2.95Å
271F94.1Very high94.3Very high7 Ų739.7 Ų39.73%0.03119%0.19CC..Hα-helixtrans-67.4-33.1175.2-71.3-51000112.6G201 L203 N233 Q234 V237 P267 S268 W269 I273 Q274 L275G201-F271 WeakPolarHBondContact O-CE1 3.23Å; L203-F271 HydrophobicContact CB-CD1 4.34Å; L203-F271 HydrophobicContact CB-CE1 3.94Å; L203-F271 HydrophobicContact CD2-CE1 4.29Å; N233-F271 VanDerWaalsContact OD1-CD2 3.29Å; N233-F271 WeakPolarHBondContact OD1-CD2 3.42Å; N233-F271 WeakPolarHBondContact OD1-CE2 3.23Å; Q234-F271 HydrophobicContact CG-CE2 3.92Å; Q234-F271 HydrophobicContact CG-CZ 3.72Å; V237-F271 HydrophobicContact CG1-CB 4.13Å; V237-F271 HydrophobicContact CG1-CD1 4.25Å; V237-F271 HydrophobicContact CG1-CG 4.36Å; V237-F271 HydrophobicContact CG2-CB 3.53Å; V237-F271 HydrophobicContact CG2-CD1 4.13Å; V237-F271 HydrophobicContact CG2-CD2 3.8Å; V237-F271 HydrophobicContact CG2-CG 3.59Å; P267-F271 HydrophobicContact CB-CB 4.4Å; P267-F271 HydrophobicContact CB-CD2 4.42Å; S268-F271 WeakPolarHBondContact O-CB 3.04Å; S268-F271 PolarHBondContact O-N 3.13Å; S268-F271 VanDerWaalsContact OG-CD2 3.24Å; S268-F271 WeakPolarHBondContact OG-CD2 3.31Å; S268-F271 PolarHBondContact OG-N 3Å; W269-F271 VanDerWaalsContact C-N 3.3Å; W269-F271 PolarHBondContact O-N 2.59Å; F271-I273 VanDerWaalsContact C-N 3.35Å; F271-Q274 PolarHBondContact O-N 3.33Å; F271-L275 WeakPolarHBondContact O-CG 3.28Å; F271-L275 PolarHBondContact O-N 2.96Å
272M94.2Very high94.3Very high3 Ų341.1 Ų41.12%0.01520%0.198CC..Hα-helixtrans-67.6-36.9176.3-57.9-46.2-64.700112.1L251 W255 P267 S268 W269 N270 L275 A276 L291 Y296L251-M272 HydrophobicContact CD1-CE 3.88Å; W255-M272 HydrophobicContact CD2-CE 4.05Å; W255-M272 HydrophobicContact CE3-CE 3.38Å; W255-M272 HydrophobicContact CE3-SD 3.98Å; W255-M272 HydrophobicContact CH2-CE 4.36Å; W255-M272 HydrophobicContact CH2-SD 4.22Å; W255-M272 HydrophobicContact CZ3-CE 3.59Å; W255-M272 HydrophobicContact CZ3-SD 3.54Å; W255-M272 VanDerWaalsContact CZ3-SD 3.54Å; P267-M272 HydrophobicContact CB-SD 4.44Å; P267-M272 HydrophobicContact CG-SD 3.83Å; S268-M272 PolarHBondContact O-N 3.34Å; W269-M272 WeakPolarHBondContact O-CB 3.38Å; W269-M272 PolarHBondContact O-N 3.15Å; N270-M272 VanDerWaalsContact C-N 3.31Å; N270-M272 PolarHBondContact O-N 2.81Å; M272-L275 HydrophobicContact CE-CD1 4.2Å; M272-L275 PolarHBondContact O-N 3.44Å; M272-L275 HydrophobicContact SD-CD1 4.03Å; M272-A276 PolarHBondContact O-N 3.5Å; M272-L291 HydrophobicContact CE-CD1 3.42Å; M272-L291 VanDerWaalsContact CE-CD1 3.42Å; M272-L291 HydrophobicContact CE-CG 4.2Å; M272-Y296 HydrophobicContact CG-CD2 3.9Å; M272-Y296 HydrophobicContact CG-CE2 3.67Å; M272-Y296 HydrophobicContact SD-CE2 4.38Å
273I94.2Very high94Very high82 Ų8249.4 Ų49.442%0.42124%0.237SC..Hα-helixtrans-63-47171.8-65.1170.2000110.2W269 N270 F271 L275 A276 E277W269-I273 PolarHBondContact O-N 2.84Å; N270-I273 PolarHBondContact O-N 3.4Å; F271-I273 VanDerWaalsContact C-N 3.35Å; I273-L275 VanDerWaalsContact C-N 3.31Å; I273-L275 PolarHBondContact O-N 3.24Å; I273-A276 PolarHBondContact O-N 3.49Å; I273-E277 PolarHBondContact O-N 3.02Å
274Q95.7Very high93.6Very high11 Ų1151.5 Ų51.55%0.05124%0.24CC..Hα-helixtrans-59.5-39.9176.8-74.91785100112.3G201 L204 N270 F271 E277 F278G201-Q274 PolarHBondContact O-NE2 2.95Å; L204-Q274 HydrophobicContact CB-CB 4.11Å; L204-Q274 HydrophobicContact CB-CG 4.11Å; N270-Q274 PolarHBondContact ND2-NE2 3.37Å; N270-Q274 WeakPolarHBondContact O-CG 3.22Å; N270-Q274 PolarHBondContact O-N 2.95Å; F271-Q274 PolarHBondContact O-N 3.33Å; Q274-E277 PolarHBondContact O-N 3.5Å; Q274-F278 WeakPolarHBondContact O-CB 3.28Å; Q274-F278 PolarHBondContact O-N 3.33Å
275L97Very high93.3Very high0 Ų051.7 Ų51.70%024%0.242CC..Hα-helixtrans-67.3-35.6176.2-74.8169.6000113.1L207 V237 I240 A241 L251 F271 M272 I273 E277 F278 E279L207-L275 HydrophobicContact CD1-CD2 4.01Å; V237-L275 HydrophobicContact CG1-CD1 3.94Å; V237-L275 HydrophobicContact CG1-CD2 3.91Å; V237-L275 HydrophobicContact CG1-CG 3.84Å; I240-L275 HydrophobicContact CB-CD1 4Å; I240-L275 HydrophobicContact CB-CD2 4.35Å; I240-L275 HydrophobicContact CD1-CD1 4.15Å; I240-L275 HydrophobicContact CG2-CD1 3.68Å; I240-L275 HydrophobicContact CG2-CD2 4Å; I240-L275 HydrophobicContact CG2-CG 4.38Å; A241-L275 HydrophobicContact CB-CD2 3.91Å; L251-L275 HydrophobicContact CD1-CB 3.71Å; L251-L275 HydrophobicContact CD1-CD1 4Å; L251-L275 HydrophobicContact CD1-CG 4.46Å; L251-L275 HydrophobicContact CD2-CB 4.24Å; F271-L275 WeakPolarHBondContact O-CG 3.28Å; F271-L275 PolarHBondContact O-N 2.96Å; M272-L275 HydrophobicContact CE-CD1 4.2Å; M272-L275 PolarHBondContact O-N 3.44Å; M272-L275 HydrophobicContact SD-CD1 4.03Å; I273-L275 VanDerWaalsContact C-N 3.31Å; I273-L275 PolarHBondContact O-N 3.24Å; L275-E277 VanDerWaalsContact C-N 3.35Å; L275-F278 WeakPolarHBondContact O-CB 3.36Å; L275-F278 PolarHBondContact O-N 3.2Å; L275-E279 PolarHBondContact O-N 3.35Å
276A97.1Very high93.1Very high0 Ų059.2 Ų59.20%028%0.282CS..Hα-helixtrans-67.5-38.8175.200000111.4L251 M272 I273 Y280 V288 P290L251-A276 HydrophobicContact CD2-CB 3.82Å; M272-A276 PolarHBondContact O-N 3.5Å; I273-A276 PolarHBondContact O-N 3.49Å; A276-Y280 PolarHBondContact O-N 3.17Å; A276-Y280 VanDerWaalsContact O-N 3.16Å; A276-V288 HydrophobicContact CB-CG1 3.7Å; A276-P290 HydrophobicContact CB-CB 4.26Å
277E96.9Very high93.2Very high61 Ų6160.2 Ų60.229%0.28528%0.284SS..Hα-helixtrans-64.6-42.1172-178.961.3-15300111.1L204 I273 Q274 L275 Y280 Q281 V288L204-E277 HydrophobicContact CD2-CB 4.07Å; L204-E277 HydrophobicContact CD2-CG 3.53Å; I273-E277 PolarHBondContact O-N 3.02Å; Q274-E277 PolarHBondContact O-N 3.5Å; L275-E277 VanDerWaalsContact C-N 3.35Å; E277-Y280 WeakPolarHBondContact O-CB 3.18Å; E277-Y280 PolarHBondContact O-N 3.39Å; E277-Q281 WeakPolarHBondContact O-CG 3.23Å; E277-Q281 PolarHBondContact O-N 3.08Å; E277-Q281 PolarHBondContact OE1-NE2 2.7Å; E277-Q281 VanDerWaalsContact OE1-NE2 3.08Å; E277-V288 VanDerWaalsContact OE2-CG2 3.25Å; E277-V288 WeakPolarHBondContact OE2-CG2 3.2Å
278F97.5Very high93.3Very high3 Ų362.9 Ų62.91%0.01330%0.301CS..Hα-helixtrans-60.3-46.8175.9-177.8-114.4000112.4L204 L207 D208 A241 K245 Q274 L275 Y280 Q281 L282L204-F278 HydrophobicContact CD1-CB 3.63Å; L204-F278 HydrophobicContact CD1-CD2 4.13Å; L204-F278 HydrophobicContact CD1-CG 4.35Å; L207-F278 HydrophobicContact CB-CD2 3.79Å; L207-F278 HydrophobicContact CB-CE1 4.45Å; L207-F278 HydrophobicContact CB-CE2 3.68Å; L207-F278 HydrophobicContact CB-CG 4.22Å; L207-F278 HydrophobicContact CB-CZ 4.02Å; L207-F278 HydrophobicContact CD1-CB 3.98Å; L207-F278 HydrophobicContact CD1-CD1 4.27Å; L207-F278 HydrophobicContact CD1-CD2 4.19Å; L207-F278 HydrophobicContact CD1-CG 3.89Å; D208-F278 HydrophobicContact CB-CE2 4.04Å; A241-F278 HydrophobicContact CB-CD1 4Å; A241-F278 HydrophobicContact CB-CE1 3.71Å; A241-F278 HydrophobicContact CB-CZ 4.42Å; K245-F278 HydrophobicContact CB-CE1 4.37Å; K245-F278 HydrophobicContact CB-CZ 4.37Å; K245-F278 HydrophobicContact CD-CZ 4.31Å; Q274-F278 WeakPolarHBondContact O-CB 3.28Å; Q274-F278 PolarHBondContact O-N 3.33Å; L275-F278 WeakPolarHBondContact O-CB 3.36Å; L275-F278 PolarHBondContact O-N 3.2Å; F278-Y280 VanDerWaalsContact C-N 3.27Å; F278-Y280 PolarHBondContact O-N 2.78Å; F278-Q281 PolarHBondContact O-N 3.41Å; F278-L282 HydrophobicContact CD1-CD1 3.95Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE1-CG 4.35Å; F278-L282 HydrophobicContact CE2-CD1 4.26Å; F278-L282 HydrophobicContact CE2-CD2 4.44Å; F278-L282 HydrophobicContact CE2-CG 4.3Å; F278-L282 HydrophobicContact CZ-CD1 3.68Å; F278-L282 HydrophobicContact CZ-CD2 4.34Å; F278-L282 HydrophobicContact CZ-CG 4.18Å; F278-L282 WeakPolarHBondContact O-CG 3.38Å; F278-L282 PolarHBondContact O-N 3.39Å
279E97.4Very high93.5Very high10 Ų1064.8 Ų64.85%0.04731%0.306CS..Hα-helixtrans-57.6-41.3175.5-177.8175.3-145.100111.7I244 S250 L251 L275 L282 R284 T285I244-E279 HydrophobicContact CG2-CB 4.08Å; I244-E279 HydrophobicContact CG2-CG 4.08Å; S250-E279 WeakPolarHBondContact CA-OE1 3.18Å; S250-E279 WeakPolarHBondContact CB-OE1 3.35Å; L251-E279 VanDerWaalsContact CB-OE2 3.25Å; L251-E279 WeakPolarHBondContact CB-OE2 3.25Å; L251-E279 PolarHBondContact N-OE1 3.43Å; L251-E279 PolarHBondContact N-OE2 2.9Å; L275-E279 PolarHBondContact O-N 3.35Å; E279-L282 PolarHBondContact O-N 2.69Å; E279-R284 HydrophobicContact CG-CB 3.73Å; E279-R284 HydrophobicContact CG-CG 4.26Å; E279-R284 WeakPolarHBondContact O-CB 3.45Å; E279-R284 PolarHBondContact O-N 3.13Å; E279-T285 HydrophobicContact CG-CG2 4.12Å
280Y96.8Very high93.5Very high101 Ų10163.1 Ų63.140%0.39631%0.308SS..Hα-helixtrans-66-44.1175174.2-112.9000112.8A276 E277 F278 L282 Q283 T285 K287 V288A276-Y280 PolarHBondContact O-N 3.17Å; A276-Y280 VanDerWaalsContact O-N 3.16Å; E277-Y280 WeakPolarHBondContact O-CB 3.18Å; E277-Y280 PolarHBondContact O-N 3.39Å; F278-Y280 VanDerWaalsContact C-N 3.27Å; F278-Y280 PolarHBondContact O-N 2.78Å; Y280-L282 PolarHBondContact O-N 2.89Å; Y280-Q283 WeakPolarHBondContact O-CA 3.38Å; Y280-Q283 PolarHBondContact O-N 2.81Å; Y280-T285 WeakPolarHBondContact CD2-O 3.43Å; Y280-K287 VanDerWaalsContact CD2-C 3.48Å; Y280-V288 HydrophobicContact CD1-CG2 3.77Å; Y280-V288 HydrophobicContact CG-CG2 3.8Å
281Q96Very high93.5Very high105 Ų10560 Ų6049%0.49129%0.291SS..Hα-helixtrans-62.1-31.9177.5-73.7177.85.700112.7E277 F278 Q283E277-Q281 WeakPolarHBondContact O-CG 3.23Å; E277-Q281 PolarHBondContact O-N 3.08Å; E277-Q281 PolarHBondContact OE1-NE2 2.7Å; E277-Q281 VanDerWaalsContact OE1-NE2 3.08Å; F278-Q281 PolarHBondContact O-N 3.41Å; Q281-Q283 PolarHBondContact O-N 3.49Å
282L95.2Very high93.4Very high41 Ų4162.9 Ų62.922%0.21531%0.31CS..THydrogen-bonded Turntrans-73.12.5171.4-67.6175.6000113.9I244 K245 F278 E279 Y280 R284I244-L282 HydrophobicContact CG2-CD1 3.98Å; K245-L282 HydrophobicContact CB-CD1 3.84Å; K245-L282 HydrophobicContact CD-CD2 4.13Å; K245-L282 HydrophobicContact CG-CD1 4.11Å; K245-L282 HydrophobicContact CG-CD2 4.11Å; F278-L282 HydrophobicContact CD1-CD1 3.95Å; F278-L282 HydrophobicContact CE1-CD1 3.49Å; F278-L282 VanDerWaalsContact CE1-CD1 3.49Å; F278-L282 HydrophobicContact CE1-CG 4.35Å; F278-L282 HydrophobicContact CE2-CD1 4.26Å; F278-L282 HydrophobicContact CE2-CD2 4.44Å; F278-L282 HydrophobicContact CE2-CG 4.3Å; F278-L282 HydrophobicContact CZ-CD1 3.68Å; F278-L282 HydrophobicContact CZ-CD2 4.34Å; F278-L282 HydrophobicContact CZ-CG 4.18Å; F278-L282 WeakPolarHBondContact O-CG 3.38Å; F278-L282 PolarHBondContact O-N 3.39Å; E279-L282 PolarHBondContact O-N 2.69Å; Y280-L282 PolarHBondContact O-N 2.89Å; L282-R284 HydrophobicContact CB-CG 3.88Å; L282-R284 PolarHBondContact O-N 3.25Å
283Q90Very high93.1Very high176 Ų17668.9 Ų68.982%0.82234%0.338SS*.THydrogen-bonded Turntrans55.832.3-177.4-56.1176.96.700112.7Y280 Q281 T285Y280-Q283 WeakPolarHBondContact O-CA 3.38Å; Y280-Q283 PolarHBondContact O-N 2.81Å; Q281-Q283 PolarHBondContact O-N 3.49Å; Q283-T285 VanDerWaalsContact C-N 3.3Å
284R83.7Confident92.8Very high103 Ų10369.6 Ų69.639%0.38934%0.343SS..SBendtrans-77.9-21.4174.2-63.6-92.498126.1-0.1111.9M248 E279 L282M248-R284 PolarHBondContact SD-NH1 3.19Å; E279-R284 HydrophobicContact CG-CB 3.73Å; E279-R284 HydrophobicContact CG-CG 4.26Å; E279-R284 WeakPolarHBondContact O-CB 3.45Å; E279-R284 PolarHBondContact O-N 3.13Å; L282-R284 HydrophobicContact CB-CG 3.88Å; L282-R284 PolarHBondContact O-N 3.25Å
285T87Confident92.5Very high25 Ų2571.8 Ų71.815%0.15335%0.353CS..SBendtrans-139.5152.4-176.459.50000110.5E279 Y280 Q283 K287 I289E279-T285 HydrophobicContact CG-CG2 4.12Å; Y280-T285 WeakPolarHBondContact CD2-O 3.43Å; Q283-T285 VanDerWaalsContact C-N 3.3Å; T285-K287 VanDerWaalsContact CB-O 3.25Å; T285-K287 WeakPolarHBondContact CB-O 3.08Å; T285-K287 PolarHBondContact O-N 2.86Å; T285-K287 PolarHBondContact OG1-O 3.35Å; T285-I289 HydrophobicContact CG2-CD1 3.79Å; T285-I289 HydrophobicContact CG2-CG1 4.32Å
286D88.8Confident92Very high168 Ų16872.5 Ų72.590%0.89836%0.356SS*.SBendtrans-75.2-13.8177.9-61.3-38.8000113.3
287K92.7Very high91.3Very high146 Ų14678.4 Ų78.464%0.63538%0.379SS*.SBendtrans-152.6164.2179.563.1-179-178.8178.80109.7Y280 T285 I289Y280-K287 VanDerWaalsContact CD2-C 3.48Å; T285-K287 VanDerWaalsContact CB-O 3.25Å; T285-K287 WeakPolarHBondContact CB-O 3.08Å; T285-K287 PolarHBondContact O-N 2.86Å; T285-K287 PolarHBondContact OG1-O 3.35Å; K287-I289 HydrophobicContact CG-CG1 4.22Å; K287-I289 WeakPolarHBondContact O-CG1 3.39Å; K287-I289 PolarHBondContact O-N 3.06Å
288V92.6Very high90.1Very high57 Ų5781.7 Ų81.735%0.34540%0.399SS..  trans-63.5125.4170.7-1770000109.7A276 E277 Y280A276-V288 HydrophobicContact CB-CG1 3.7Å; E277-V288 VanDerWaalsContact OE2-CG2 3.25Å; E277-V288 WeakPolarHBondContact OE2-CG2 3.2Å; Y280-V288 HydrophobicContact CD1-CG2 3.77Å; Y280-V288 HydrophobicContact CG-CG2 3.8Å
289I92.9Very high87.9Confident86 Ų8692.6 Ų92.644%0.44144%0.44SS..  trans-120.189.9178.4-54.6179.1000108.2T285 K287T285-I289 HydrophobicContact CG2-CD1 3.79Å; T285-I289 HydrophobicContact CG2-CG1 4.32Å; K287-I289 HydrophobicContact CG-CG1 4.22Å; K287-I289 WeakPolarHBondContact O-CG1 3.39Å; K287-I289 PolarHBondContact O-N 3.06Å
290P91.9Very high87.5Confident66 Ų6696.8 Ų96.843%0.42946%0.459SS..PPolyproline II helixtrans-68.8157.6173.731-34.3000110.5A276A276-P290 HydrophobicContact CB-CB 4.26Å
291L92.2Very high87Confident8 Ų896.5 Ų96.54%0.04246%0.463CS..PPolyproline II helixtrans-61146.3165.3-62.7-175.3000109.9L251 K252 W255 W269 M272 E295L251-L291 HydrophobicContact CD2-CG 4.2Å; L251-L291 HydrophobicContact CG-CD2 4.09Å; L251-L291 HydrophobicContact CG-CG 4.12Å; K252-L291 HydrophobicContact CB-CD2 3.84Å; K252-L291 HydrophobicContact CG-CD2 4.36Å; W255-L291 HydrophobicContact CB-CD1 4Å; W255-L291 HydrophobicContact CD2-CD1 3.77Å; W255-L291 HydrophobicContact CE3-CD1 4.33Å; W255-L291 HydrophobicContact CG-CD1 3.59Å; W269-L291 VanDerWaalsContact CH2-O 3.27Å; W269-L291 WeakPolarHBondContact CH2-O 3.45Å; M272-L291 HydrophobicContact CE-CD1 3.42Å; M272-L291 VanDerWaalsContact CE-CD1 3.42Å; M272-L291 HydrophobicContact CE-CG 4.2Å; L291-E295 WeakPolarHBondContact CA-OE2 3.45Å; L291-E295 HydrophobicContact CB-CB 4.31Å; L291-E295 HydrophobicContact CD2-CB 4.46Å
292T91.5Very high86.5Confident69 Ų6996.1 Ų96.142%0.42346%0.461SS..PPolyproline II helixtrans-73161.4165.571.40000110.4D294 E295 Y296T292-D294 PolarHBondContact O-N 3.26Å; T292-E295 PolarHBondContact N-OE2 3.16Å; T292-E295 PolarHBondContact O-N 3.31Å; T292-E295 VanDerWaalsContact OG1-CG 3.24Å; T292-E295 WeakPolarHBondContact OG1-CG 3.24Å; T292-E295 PolarHBondContact OG1-N 3.39Å; T292-E295 VanDerWaalsContact OG1-N 3.12Å; T292-Y296 WeakPolarHBondContact O-CB 3.4Å; T292-Y296 PolarHBondContact O-N 2.83Å
293E87.4Confident86Confident128 Ų12899.3 Ų99.360%0.59848%0.475SS*.Hα-helixtrans-58.3-39.1172.9-69.7-170.1171.400111.5W269 Y296 Y297W269-E293 HydrophobicContact CH2-CG 4.48Å; E293-Y296 PolarHBondContact O-N 3.11Å; E293-Y297 HydrophobicContact CB-CD2 4.32Å; E293-Y297 WeakPolarHBondContact O-CD2 3.4Å; E293-Y297 PolarHBondContact O-N 3.28Å
294D89.2Confident85.7Confident98 Ų9894.5 Ų94.552%0.52445%0.454SS..Hα-helixtrans-64-42.3178.4-61.9-31000111.6T292 Y296 Y297 D298 R299T292-D294 PolarHBondContact O-N 3.26Å; D294-Y296 VanDerWaalsContact C-N 3.32Å; D294-Y296 PolarHBondContact O-N 3Å; D294-Y297 PolarHBondContact O-N 3.1Å; D294-D298 VanDerWaalsContact O-CA 3.32Å; D294-D298 WeakPolarHBondContact O-CA 3.48Å; D294-D298 PolarHBondContact O-N 3.47Å; D294-R299 PolarHBondContact O-N 2.75Å
295E89.4Confident85.8Confident56 Ų5693.9 Ų93.926%0.26246%0.458SS..Hα-helixtrans-66.1-35.9175-70.8169.8158.700112.2K252 W255 L291 T292K252-E295 WeakPolarHBondContact CD-OE1 3.32Å; K252-E295 VanDerWaalsContact CE-OE1 3.23Å; K252-E295 WeakPolarHBondContact CE-OE1 3.34Å; K252-E295 IonicContact NZ-OE1 3.04Å; K252-E295 PolarHBondContact NZ-OE1 3.21Å; W255-E295 PolarHBondContact NE1-O 3.43Å; W255-E295 VanDerWaalsContact NE1-O 3.11Å; L291-E295 WeakPolarHBondContact CA-OE2 3.45Å; L291-E295 HydrophobicContact CB-CB 4.31Å; L291-E295 HydrophobicContact CD2-CB 4.46Å; T292-E295 PolarHBondContact N-OE2 3.16Å; T292-E295 PolarHBondContact O-N 3.31Å; T292-E295 VanDerWaalsContact OG1-CG 3.24Å; T292-E295 WeakPolarHBondContact OG1-CG 3.24Å; T292-E295 PolarHBondContact OG1-N 3.39Å; T292-E295 VanDerWaalsContact OG1-N 3.12Å
296Y85.2Confident85.7Confident16 Ų1698.9 Ų98.96%0.06348%0.48CS..Hα-helixtrans-71.8-39.7177.7-178.6-91.3000111.8W255 R259 P267 W269 M272 T292 E293 D294W255-Y296 AromaticContact CH2-CD2 3.57Å; W255-Y296 HydrophobicContact CH2-CD2 3.57Å; W255-Y296 AromaticContact CH2-CE2 3.27Å; W255-Y296 HydrophobicContact CH2-CE2 3.27Å; W255-Y296 AromaticContact CZ2-CD2 3.36Å; W255-Y296 HydrophobicContact CZ2-CD2 3.36Å; W255-Y296 AromaticContact CZ2-CE2 3.55Å; W255-Y296 HydrophobicContact CZ2-CE2 3.55Å; W255-Y296 HydrophobicContact CZ2-CG 4.03Å; W255-Y296 HydrophobicContact CZ3-CD2 4.46Å; W255-Y296 HydrophobicContact CZ3-CE2 4.2Å; R259-Y296 VanDerWaalsContact CZ-O 3.29Å; R259-Y296 PolarHBondContact NH1-O 2.93Å; R259-Y296 VanDerWaalsContact NH1-O 3.07Å; R259-Y296 PolarHBondContact NH2-O 2.82Å; P267-Y296 PolarHBondContact O-OH 2.66Å; W269-Y296 HydrophobicContact CE3-CD1 4.47Å; W269-Y296 HydrophobicContact CE3-CD2 4.16Å; W269-Y296 HydrophobicContact CE3-CE2 4.5Å; W269-Y296 HydrophobicContact CE3-CG 4.15Å; W269-Y296 HydrophobicContact CZ3-CD1 4.43Å; W269-Y296 HydrophobicContact CZ3-CD2 4.12Å; W269-Y296 AromaticContact CZ3-CG 3.87Å; W269-Y296 HydrophobicContact CZ3-CG 3.87Å; M272-Y296 HydrophobicContact CG-CD2 3.9Å; M272-Y296 HydrophobicContact CG-CE2 3.67Å; M272-Y296 HydrophobicContact SD-CE2 4.38Å; T292-Y296 WeakPolarHBondContact O-CB 3.4Å; T292-Y296 PolarHBondContact O-N 2.83Å; E293-Y296 PolarHBondContact O-N 3.11Å; D294-Y296 VanDerWaalsContact C-N 3.32Å; D294-Y296 PolarHBondContact O-N 3Å
297Y81.9Confident85.5Confident123 Ų12393.5 Ų93.548%0.48245%0.448SS..Hα-helixtrans-94.3-5.9-178.3-68.1-66.8000114.6E293 D294 R299E293-Y297 HydrophobicContact CB-CD2 4.32Å; E293-Y297 WeakPolarHBondContact O-CD2 3.4Å; E293-Y297 PolarHBondContact O-N 3.28Å; D294-Y297 PolarHBondContact O-N 3.1Å; Y297-R299 VanDerWaalsContact C-N 3.3Å
298D71.9Confident84.9Confident131 Ų13189.2 Ų89.270%0.70143%0.432SS*.THydrogen-bonded Turntrans50.951.7-173-163.233.4000111.2R259 D294R259-D298 VanDerWaalsContact NH1-CB 3.28Å; D294-D298 VanDerWaalsContact O-CA 3.32Å; D294-D298 WeakPolarHBondContact O-CA 3.48Å; D294-D298 PolarHBondContact O-N 3.47Å
299R52.7Low84.2Confident232 Ų23292.1 Ų92.188%0.87544%0.44SS*.  trans-94.60176.7-73-177.1179.8177.62.9111.9D294 Y297D294-R299 PolarHBondContact O-N 2.75Å; Y297-R299 VanDerWaalsContact C-N 3.3Å

Retrieved 299 of 299 residues in 362.1 ms (Link to these results)

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