A0A5K4FAC0_SCHMA Loading...

Fe2OG dioxygenase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FAC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 254 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
1M53.4Low81.8Confident108 Ų10889.4 Ų89.453%0.53245%0.447SS..  0-49.40-165.3-171-64.200111.2K3 C84 D87 K88M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.35Å; M1-C84 WeakPolarHBondContact CG-O 3.35Å; M1-D87 WeakPolarHBondContact CE-O 3.43Å; M1-K88 HydrophobicContact CE-CB 3.54Å; M1-K88 HydrophobicContact CE-CG 4.02Å; M1-K88 VanDerWaalsContact CE-N 3.33Å
2L62.4Low82.7Confident26 Ų2686.6 Ų86.614%0.13644%0.439CS..G310 helixtrans-75-4.7177.2-66.3166.4000115.6L4 L5 D6 N16 L18 L85L2-L4 PolarHBondContact O-N 3.4Å; L2-L4 VanDerWaalsContact O-N 3.09Å; L2-L5 HydrophobicContact CD2-CD1 4.42Å; L2-L5 CarbonylContact O-C 3.57Å; L2-L5 WeakPolarHBondContact O-CA 3.45Å; L2-L5 PolarHBondContact O-N 3.26Å; L2-D6 PolarHBondContact O-N 3.14Å; L2-N16 HydrophobicContact CD1-CB 4.32Å; L2-N16 WeakPolarHBondContact CD1-OD1 3.44Å; L2-L18 HydrophobicContact CD1-CD1 4.15Å; L2-L18 HydrophobicContact CD2-CD1 3.97Å; L2-L18 HydrophobicContact CD2-CD2 3.98Å; L2-L85 HydrophobicContact CD2-CD2 3.96Å
3K64.1Low83.5Confident176 Ų17680.8 Ų80.877%0.76541%0.409SS*.G310 helixtrans-53.2-34.1-178.9-74.1-167.9176.6-173.40114.5M1 L5 D6M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 3.35Å; K3-L5 PolarHBondContact O-N 2.81Å; K3-D6 WeakPolarHBondContact CA-OD1 3.18Å; K3-D6 WeakPolarHBondContact CA-OD2 3.4Å; K3-D6 PolarHBondContact O-N 3.19Å
4L74.6Confident84.2Confident155 Ų15577.3 Ų77.381%0.81240%0.395SS*.G310 helixtrans-68.9-22.4177.3-170.566.2000112.4L2L2-L4 PolarHBondContact O-N 3.4Å; L2-L4 VanDerWaalsContact O-N 3.09Å
5L89.3Confident84.7Confident12 Ų1278.9 Ų78.96%0.06341%0.413CS..G310 helixtrans-108.713.7-177.1-56177.4000112.4L2 K3 S7 Y8 L18 L83 L85 I169L2-L5 HydrophobicContact CD2-CD1 4.42Å; L2-L5 CarbonylContact O-C 3.57Å; L2-L5 WeakPolarHBondContact O-CA 3.45Å; L2-L5 PolarHBondContact O-N 3.26Å; K3-L5 PolarHBondContact O-N 2.81Å; L5-S7 PolarHBondContact O-N 3.35Å; L5-S7 VanDerWaalsContact O-N 3.13Å; L5-Y8 HydrophobicContact CB-CD2 4.17Å; L5-Y8 HydrophobicContact CD2-CD2 3.94Å; L5-Y8 HydrophobicContact CD2-CE2 4.12Å; L5-Y8 WeakPolarHBondContact O-CB 3.39Å; L5-Y8 PolarHBondContact O-N 3.1Å; L5-L18 HydrophobicContact CB-CD2 3.36Å; L5-L18 HydrophobicContact CD1-CD2 4.13Å; L5-L18 HydrophobicContact CG-CD2 4.4Å; L5-L18 WeakPolarHBondContact O-CD2 3.35Å; L5-L83 HydrophobicContact CD1-CB 4.41Å; L5-L83 HydrophobicContact CD2-CD2 4.34Å; L5-L85 HydrophobicContact CD1-CD2 3.85Å; L5-I169 HydrophobicContact CD1-CD1 4.17Å
6D87.9Confident85.3Confident83 Ų8375.8 Ų75.844%0.44440%0.397SS..G310 helixtrans-58.2-29.6-177-78.5-11.6000112.7L2 K3 Y8 C9L2-D6 PolarHBondContact O-N 3.14Å; K3-D6 WeakPolarHBondContact CA-OD1 3.18Å; K3-D6 WeakPolarHBondContact CA-OD2 3.4Å; K3-D6 PolarHBondContact O-N 3.19Å; D6-Y8 PolarHBondContact O-N 3.18Å; D6-C9 WeakPolarHBondContact O-CB 3.35Å; D6-C9 PolarHBondContact O-N 3.15Å
7S91.2Very high85.9Confident98 Ų9871.5 Ų71.569%0.68537%0.374SS*.G310 helixtrans-66.9-19.8174.954.50000113.7L5L5-S7 PolarHBondContact O-N 3.35Å; L5-S7 VanDerWaalsContact O-N 3.13Å
8Y94.7Very high86.5Confident94 Ų9467.6 Ų67.637%0.36935%0.354SS..G310 helixtrans-98.2-2.2179.9-59.1-73.5000113.1L5 D6 V10 L18 Y19 L20L5-Y8 HydrophobicContact CB-CD2 4.17Å; L5-Y8 HydrophobicContact CD2-CD2 3.94Å; L5-Y8 HydrophobicContact CD2-CE2 4.12Å; L5-Y8 WeakPolarHBondContact O-CB 3.39Å; L5-Y8 PolarHBondContact O-N 3.1Å; D6-Y8 PolarHBondContact O-N 3.18Å; Y8-V10 PolarHBondContact O-N 3.19Å; Y8-L18 CarbonylContact O-C 3.6Å; Y8-L18 VanDerWaalsContact O-CA 3.28Å; Y8-L18 WeakPolarHBondContact O-CA 3.48Å; Y8-Y19 WeakPolarHBondContact CD1-O 3.42Å; Y8-Y19 PolarHBondContact O-N 3.49Å; Y8-L20 HydrophobicContact CD1-CB 4.2Å; Y8-L20 HydrophobicContact CD1-CD1 4.27Å; Y8-L20 HydrophobicContact CD1-CG 3.68Å; Y8-L20 HydrophobicContact CD2-CD1 4.28Å; Y8-L20 HydrophobicContact CD2-CD2 4.45Å; Y8-L20 HydrophobicContact CD2-CG 3.98Å; Y8-L20 HydrophobicContact CE1-CB 4.37Å; Y8-L20 HydrophobicContact CE1-CG 3.98Å; Y8-L20 HydrophobicContact CE2-CD2 4.44Å; Y8-L20 HydrophobicContact CE2-CG 4.28Å; Y8-L20 HydrophobicContact CG-CD1 3.87Å; Y8-L20 HydrophobicContact CG-CG 3.67Å
9C94.6Very high87.1Confident39 Ų3964.1 Ų64.126%0.26434%0.335SS..BIsolated β-bridgetrans-65.5131.2178.8-73.60000111.8D6 K11D6-C9 WeakPolarHBondContact O-CB 3.35Å; D6-C9 PolarHBondContact O-N 3.15Å; C9-K11 HydrophobicContact CB-CG 4.45Å; C9-K11 PolarHBondContact O-N 2.84Å; C9-K11 VanDerWaalsContact O-N 3.09Å
10V95.4Very high87.6Confident10 Ų1061.4 Ų61.46%0.06132%0.321CS..  trans-81.885.5171.6-174.40000108.5Y8 T12 L13 V17 H211 N212Y8-V10 PolarHBondContact O-N 3.19Å; V10-T12 PolarHBondContact O-N 3.05Å; V10-T12 VanDerWaalsContact O-N 3.15Å; V10-L13 HydrophobicContact CG1-CB 4.4Å; V10-L13 HydrophobicContact CG1-CD1 3.99Å; V10-L13 HydrophobicContact CG1-CG 4.18Å; V10-L13 PolarHBondContact O-N 3.46Å; V10-L13 VanDerWaalsContact O-N 3.17Å; V10-V17 HydrophobicContact CB-CB 4.28Å; V10-V17 HydrophobicContact CB-CG1 4.19Å; V10-V17 HydrophobicContact CG2-CG1 4.02Å; V10-V17 PolarHBondContact N-O 3.1Å; V10-H211 HydrophobicContact CG1-CB 3.46Å; V10-H211 VanDerWaalsContact CG1-CB 3.46Å; V10-N212 HydrophobicContact CG1-CB 4.32Å; V10-N212 HydrophobicContact CG2-CB 3.95Å
11K92.5Very high88.1Confident182 Ų18260.7 Ų60.779%0.79132%0.321SS*.THydrogen-bonded Turntrans-65.6-18-167.1-63.9-179.5-178.2175.90115.4C9C9-K11 HydrophobicContact CB-CG 4.45Å; C9-K11 PolarHBondContact O-N 2.84Å; C9-K11 VanDerWaalsContact O-N 3.09Å
12T91.8Very high90.1Very high56 Ų5660.1 Ų60.134%0.34432%0.319SS..THydrogen-bonded Turntrans-88.4-5.2-179.7520000112.8V10 Y193 H211V10-T12 PolarHBondContact O-N 3.05Å; V10-T12 VanDerWaalsContact O-N 3.15Å; T12-Y193 HydrophobicContact CG2-CD1 3.63Å; T12-Y193 HydrophobicContact CG2-CE1 3.56Å; T12-H211 WeakPolarHBondContact CB-ND1 3.17Å; T12-H211 PolarHBondContact O-CE1 2.66Å; T12-H211 PolarHBondContact O-ND1 3.3Å; T12-H211 VanDerWaalsContact O-ND1 3.1Å; T12-H211 VanDerWaalsContact OG1-CB 3.24Å; T12-H211 WeakPolarHBondContact OG1-CB 3.26Å; T12-H211 PolarHBondContact OG1-ND1 3.49Å; T12-H211 PolarHBondContact OG1-O 2.88Å
13L93.7Very high91.8Very high11 Ų1160.3 Ų60.36%0.05832%0.319CS..SBendtrans-101.4165.8168-74.8174.8000109.8V10 V17 F135 I157 V160 H211V10-L13 HydrophobicContact CG1-CB 4.4Å; V10-L13 HydrophobicContact CG1-CD1 3.99Å; V10-L13 HydrophobicContact CG1-CG 4.18Å; V10-L13 PolarHBondContact O-N 3.46Å; V10-L13 VanDerWaalsContact O-N 3.17Å; L13-V17 HydrophobicContact CB-CG2 4.34Å; L13-V17 HydrophobicContact CD1-CB 4.43Å; L13-V17 HydrophobicContact CD1-CG1 4.21Å; L13-V17 HydrophobicContact CD1-CG2 4.26Å; L13-F135 HydrophobicContact CD1-CD2 4.05Å; L13-F135 HydrophobicContact CD1-CE2 4.13Å; L13-I157 HydrophobicContact CD2-CD1 4.33Å; L13-I157 HydrophobicContact CD2-CG1 4.46Å; L13-V160 HydrophobicContact CD1-CG2 3.62Å; L13-H211 HydrophobicContact CD1-CB 4.01Å; L13-H211 HydrophobicContact CD2-CB 4.47Å; L13-H211 HydrophobicContact CG-CB 3.8Å
14P93.5Very high93.4Very high32 Ų3252.1 Ų52.121%0.20828%0.284CS..SBendtrans-54.5150.9170-18.928.8000111I157 M174 Y178P14-I157 HydrophobicContact CG-CD1 3.87Å; P14-M174 HydrophobicContact CB-CG 4.12Å; P14-M174 HydrophobicContact CB-SD 3.58Å; P14-M174 VanDerWaalsContact CB-SD 3.58Å; P14-M174 HydrophobicContact CG-SD 3.72Å; P14-M174 WeakPolarHBondContact O-CG 3.19Å; P14-Y178 HydrophobicContact CB-CE2 3.92Å; P14-Y178 HydrophobicContact CG-CE1 4.07Å; P14-Y178 HydrophobicContact CG-CE2 3.94Å; P14-Y178 VanDerWaalsContact CG-OH 3.32Å; P14-Y178 WeakPolarHBondContact CG-OH 3.46Å
15P91.7Very high94.5Very high102 Ų10248.4 Ų48.466%0.66227%0.265SS*.SBendtrans-54.8155.9-171.1-27.234.2000114M174P15-M174 WeakPolarHBondContact O-CG 3.44Å
16N93.3Very high95Very high29 Ų2953.7 Ų53.716%0.15529%0.289CS..SBendtrans7728.7176.2-50.6-63.4000115.6L2 A171 E172L2-N16 HydrophobicContact CD1-CB 4.32Å; L2-N16 WeakPolarHBondContact CD1-OD1 3.44Å; N16-A171 HydrophobicContact CB-CB 3.96Å; N16-A171 WeakPolarHBondContact CB-O 3.08Å; N16-A171 PolarHBondContact O-N 2.68Å; N16-E172 HydrophobicContact CB-CB 4.4Å; N16-E172 PolarHBondContact ND2-OE2 3.48Å
17V96.8Very high95.5Very high3 Ų356.1 Ų56.12%0.01830%0.298CS..EExtended strand (participates in β ladder)trans-104.6122.7156.9-174.10000108.9V10 L13 F135 V160 I169 M174V10-V17 HydrophobicContact CB-CB 4.28Å; V10-V17 HydrophobicContact CB-CG1 4.19Å; V10-V17 HydrophobicContact CG2-CG1 4.02Å; V10-V17 PolarHBondContact N-O 3.1Å; L13-V17 HydrophobicContact CB-CG2 4.34Å; L13-V17 HydrophobicContact CD1-CB 4.43Å; L13-V17 HydrophobicContact CD1-CG1 4.21Å; L13-V17 HydrophobicContact CD1-CG2 4.26Å; V17-F135 HydrophobicContact CG1-CZ 4.4Å; V17-F135 HydrophobicContact CG2-CZ 4.35Å; V17-V160 HydrophobicContact CG1-CG2 3.87Å; V17-I169 WeakPolarHBondContact CA-O 3.38Å; V17-M174 HydrophobicContact CG2-CB 4.05Å; V17-M174 HydrophobicContact CG2-CE 3.41Å; V17-M174 VanDerWaalsContact CG2-CE 3.41Å; V17-M174 HydrophobicContact CG2-CG 3.71Å; V17-M174 HydrophobicContact CG2-SD 4.27Å
18L96.8Very high95.8Very high0 Ų053.1 Ų53.10%027%0.273CS..EExtended strand (participates in β ladder)trans-124.8147.1177.8-58.581.3000110.7L2 L5 Y8 L20 N168 I169L2-L18 HydrophobicContact CD1-CD1 4.15Å; L2-L18 HydrophobicContact CD2-CD1 3.97Å; L2-L18 HydrophobicContact CD2-CD2 3.98Å; L5-L18 HydrophobicContact CB-CD2 3.36Å; L5-L18 HydrophobicContact CD1-CD2 4.13Å; L5-L18 HydrophobicContact CG-CD2 4.4Å; L5-L18 WeakPolarHBondContact O-CD2 3.35Å; Y8-L18 CarbonylContact O-C 3.6Å; Y8-L18 VanDerWaalsContact O-CA 3.28Å; Y8-L18 WeakPolarHBondContact O-CA 3.48Å; L18-L20 HydrophobicContact CB-CD1 4.34Å; L18-N168 WeakPolarHBondContact O-CA 3.38Å; L18-I169 HydrophobicContact CB-CB 4.18Å; L18-I169 HydrophobicContact CB-CD1 4.43Å; L18-I169 HydrophobicContact CD1-CB 4.44Å; L18-I169 HydrophobicContact CD1-CG2 4.41Å; L18-I169 PolarHBondContact N-O 3.33Å; L18-I169 PolarHBondContact O-N 3.11Å
19Y98Very high96Very high2 Ų248.9 Ų48.91%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-134.6116.4178.9179.9-103.7000110.6Y8 P21 V160 Y161 L162 K163 S166 N168 N212 A215 N216Y8-Y19 WeakPolarHBondContact CD1-O 3.42Å; Y8-Y19 PolarHBondContact O-N 3.49Å; Y19-P21 HydrophobicContact CE1-CB 4.09Å; Y19-V160 HydrophobicContact CD2-CG1 4.17Å; Y19-Y161 WeakPolarHBondContact CE2-O 3.16Å; Y19-L162 HydrophobicContact CD2-CD2 4.08Å; Y19-L162 HydrophobicContact CE2-CD2 4.08Å; Y19-K163 WeakPolarHBondContact OH-CB 3.3Å; Y19-K163 PolarHBondContact OH-N 3.11Å; Y19-S166 WeakPolarHBondContact CE2-OG 3.13Å; Y19-S166 WeakPolarHBondContact OH-CB 3.33Å; Y19-N168 HydrophobicContact CD2-CB 4.49Å; Y19-N212 HydrophobicContact CD1-CB 4.36Å; Y19-N212 VanDerWaalsContact CD1-ND2 3.28Å; Y19-N212 WeakPolarHBondContact CD1-ND2 3.34Å; Y19-N212 WeakPolarHBondContact CD2-ND2 3.2Å; Y19-N212 HydrophobicContact CG-CB 4.45Å; Y19-A215 HydrophobicContact CD1-CB 3.87Å; Y19-A215 HydrophobicContact CE1-CB 4.35Å; Y19-N216 WeakPolarHBondContact CE1-OD1 3.45Å; Y19-N216 VanDerWaalsContact CZ-OD1 3.31Å; Y19-N216 PolarHBondContact OH-OD1 3.04Å
20L97.1Very high96.2Very high10 Ų1052.1 Ų52.15%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-107.8105.9177.2-71.672.3000108Y8 L18 F23 L83 S166 L167 I169Y8-L20 HydrophobicContact CD1-CB 4.2Å; Y8-L20 HydrophobicContact CD1-CD1 4.27Å; Y8-L20 HydrophobicContact CD1-CG 3.68Å; Y8-L20 HydrophobicContact CD2-CD1 4.28Å; Y8-L20 HydrophobicContact CD2-CD2 4.45Å; Y8-L20 HydrophobicContact CD2-CG 3.98Å; Y8-L20 HydrophobicContact CE1-CB 4.37Å; Y8-L20 HydrophobicContact CE1-CG 3.98Å; Y8-L20 HydrophobicContact CE2-CD2 4.44Å; Y8-L20 HydrophobicContact CE2-CG 4.28Å; Y8-L20 HydrophobicContact CG-CD1 3.87Å; Y8-L20 HydrophobicContact CG-CG 3.67Å; L18-L20 HydrophobicContact CB-CD1 4.34Å; L20-F23 HydrophobicContact CD2-CD2 4.18Å; L20-L83 HydrophobicContact CD2-CD1 4.45Å; L20-S166 CarbonylContact O-C 3.5Å; L20-S166 VanDerWaalsContact O-CA 3.29Å; L20-S166 WeakPolarHBondContact O-CA 3.45Å; L20-S166 WeakPolarHBondContact O-CB 3.4Å; L20-L167 HydrophobicContact CB-CB 4.22Å; L20-L167 HydrophobicContact CD2-CD2 4.29Å; L20-L167 PolarHBondContact N-O 2.86Å; L20-L167 PolarHBondContact O-N 3.34Å; L20-I169 HydrophobicContact CD1-CD1 3.99Å
21P96.4Very high96.4Very high47 Ų4755.5 Ų55.531%0.30528%0.283SS..THydrogen-bonded Turntrans-67.1152.3171.529.6-33.8000110.4Y19 F23Y19-P21 HydrophobicContact CE1-CB 4.09Å; P21-F23 VanDerWaalsContact C-N 3.26Å; P21-F23 PolarHBondContact O-N 3.19Å; P21-F23 VanDerWaalsContact O-N 3.15Å
22D96Very high96.6Very high95 Ų9546.9 Ų46.951%0.50825%0.245SC..THydrogen-bonded Turntrans50.441.4172.7-53.2-55000114.1I24 R165D22-I24 PolarHBondContact O-N 3.22Å; D22-R165 CarbonylContact C-O 3.56Å
23F98Very high97Very high30 Ų3044.7 Ų44.713%0.13223%0.232CC..SBendtrans-66.2-27178179.7-106.8000113.1L20 P21 R79 V80 L83 I125 R165 L167L20-F23 HydrophobicContact CD2-CD2 4.18Å; P21-F23 VanDerWaalsContact C-N 3.26Å; P21-F23 PolarHBondContact O-N 3.19Å; P21-F23 VanDerWaalsContact O-N 3.15Å; F23-R79 HydrophobicContact CE1-CG 4.34Å; F23-R79 HydrophobicContact CE2-CG 4.16Å; F23-R79 HydrophobicContact CZ-CB 4.27Å; F23-R79 HydrophobicContact CZ-CG 3.62Å; F23-V80 HydrophobicContact CE1-CG2 4.15Å; F23-V80 HydrophobicContact CZ-CG2 4.02Å; F23-L83 HydrophobicContact CE2-CD1 4.07Å; F23-L83 HydrophobicContact CZ-CD1 4.47Å; F23-I125 HydrophobicContact CD1-CD1 4.15Å; F23-I125 HydrophobicContact CD1-CG1 4.04Å; F23-I125 HydrophobicContact CE1-CD1 3.88Å; F23-I125 HydrophobicContact CE1-CG1 4.07Å; F23-R165 PolarHBondContact N-O 3.09Å; F23-L167 HydrophobicContact CB-CB 3.63Å; F23-L167 HydrophobicContact CD1-CB 3.74Å; F23-L167 HydrophobicContact CD1-CD1 4.16Å; F23-L167 HydrophobicContact CD1-CD2 4.39Å; F23-L167 HydrophobicContact CD1-CG 4.33Å; F23-L167 HydrophobicContact CD2-CB 3.97Å; F23-L167 HydrophobicContact CD2-CD2 3.96Å; F23-L167 HydrophobicContact CE1-CB 4.38Å; F23-L167 HydrophobicContact CE1-CD1 4.1Å; F23-L167 HydrophobicContact CE1-CD2 4.25Å; F23-L167 HydrophobicContact CE1-CG 4.5Å; F23-L167 HydrophobicContact CE2-CD2 3.82Å; F23-L167 HydrophobicContact CG-CB 3.49Å; F23-L167 VanDerWaalsContact CG-CB 3.49Å; F23-L167 HydrophobicContact CG-CD2 4.25Å; F23-L167 HydrophobicContact CG-CG 4.34Å; F23-L167 HydrophobicContact CZ-CD2 3.95Å
24I98.5Very high97.2Very high4 Ų451.2 Ų51.22%0.02126%0.259CS..SBendtrans-123.3157.3167.165.4170.6000109D22 E28 E29 Y76 I125 L127 R165D22-I24 PolarHBondContact O-N 3.22Å; I24-E28 VanDerWaalsContact CA-OE2 3.22Å; I24-E28 WeakPolarHBondContact CA-OE2 3.33Å; I24-E28 HydrophobicContact CB-CB 4Å; I24-E28 VanDerWaalsContact CB-OE2 3.27Å; I24-E28 WeakPolarHBondContact CB-OE2 3.1Å; I24-E29 HydrophobicContact CD1-CB 3.88Å; I24-Y76 HydrophobicContact CG2-CD1 3.99Å; I24-Y76 HydrophobicContact CG2-CE1 3.69Å; I24-I125 HydrophobicContact CD1-CG2 3.98Å; I24-I125 HydrophobicContact CG1-CG2 4.4Å; I24-I125 HydrophobicContact CG2-CG2 4.38Å; I24-L127 HydrophobicContact CD1-CD2 3.37Å; I24-R165 HydrophobicContact CD1-CG 4.36Å; I24-R165 HydrophobicContact CG1-CB 3.72Å; I24-R165 HydrophobicContact CG1-CG 3.89Å; I24-R165 PolarHBondContact N-O 2.71Å; I24-R165 WeakPolarHBondContact O-CB 3.4Å
25N98.3Very high97.4Very high77 Ų7752.8 Ų52.841%0.41226%0.264SS..  trans-88.4-179.517368.917.4000111.7E27 E28 E29 R165N25-E27 PolarHBondContact ND2-OE2 3.46Å; N25-E27 PolarHBondContact OD1-N 3.36Å; N25-E27 PolarHBondContact OD1-OE2 3.23Å; N25-E28 PolarHBondContact N-OE2 3.38Å; N25-E28 WeakPolarHBondContact OD1-CB 3.47Å; N25-E28 WeakPolarHBondContact OD1-CG 3.11Å; N25-E28 PolarHBondContact OD1-N 3.49Å; N25-E29 PolarHBondContact O-N 3.18Å; N25-E29 VanDerWaalsContact O-N 3.09Å; N25-R165 WeakPolarHBondContact O-CD 3.44Å
26E98.3Very high97.7Very high123 Ų12348 Ų4858%0.57523%0.233SC*.Hα-helixtrans-66.8-40.9-179.2-173.6171179.400112.2E28 E29 Q30E26-E28 PolarHBondContact O-N 2.88Å; E26-E29 PolarHBondContact O-N 3.47Å; E26-Q30 WeakPolarHBondContact O-CG 3.45Å; E26-Q30 PolarHBondContact O-N 3.01Å
27E98.5Very high98Very high135 Ų13550.7 Ų50.763%0.63124%0.241SC*.Hα-helixtrans-62.7-42.8177.9-61.885-178.900112N25 Q30 E31N25-E27 PolarHBondContact ND2-OE2 3.46Å; N25-E27 PolarHBondContact OD1-N 3.36Å; N25-E27 PolarHBondContact OD1-OE2 3.23Å; E27-Q30 PolarHBondContact O-N 3.05Å; E27-E31 WeakPolarHBondContact O-CB 3.49Å; E27-E31 PolarHBondContact O-N 2.77Å
28E98.6Very high98Very high34 Ų3454.5 Ų54.516%0.15927%0.268CS..Hα-helixtrans-63.6-39.5176.4-76.1179.7148.300111.9I24 N25 E26 L32 Y76 R79I24-E28 VanDerWaalsContact CA-OE2 3.22Å; I24-E28 WeakPolarHBondContact CA-OE2 3.33Å; I24-E28 HydrophobicContact CB-CB 4Å; I24-E28 VanDerWaalsContact CB-OE2 3.27Å; I24-E28 WeakPolarHBondContact CB-OE2 3.1Å; N25-E28 PolarHBondContact N-OE2 3.38Å; N25-E28 WeakPolarHBondContact OD1-CB 3.47Å; N25-E28 WeakPolarHBondContact OD1-CG 3.11Å; N25-E28 PolarHBondContact OD1-N 3.49Å; E26-E28 PolarHBondContact O-N 2.88Å; E28-L32 WeakPolarHBondContact O-CB 3.3Å; E28-L32 PolarHBondContact O-N 3.45Å; E28-Y76 HydrophobicContact CB-CE1 4.43Å; E28-Y76 PolarHBondContact O-OH 2.99Å; E28-Y76 VanDerWaalsContact O-OH 3.11Å; E28-R79 VanDerWaalsContact CD-NH1 3.31Å; E28-R79 IonicContact OE1-CZ 2.75Å; E28-R79 VanDerWaalsContact OE1-CZ 3.28Å; E28-R79 IonicContact OE1-NH1 3.79Å; E28-R79 PolarHBondContact OE1-NH1 3.14Å; E28-R79 IonicContact OE1-NH2 2.86Å; E28-R79 PolarHBondContact OE1-NH2 2.89Å; E28-R79 IonicContact OE2-CZ 3.74Å; E28-R79 IonicContact OE2-NH1 3.85Å; E28-R79 PolarHBondContact OE2-NH1 3.39Å; E28-R79 IonicContact OE2-NH2 2.88Å
29E98.8Very high97.9Very high6 Ų655 Ų553%0.02827%0.273CS..Hα-helixtrans-61.7-47.4174.6173.8169.2-131.700111.4I24 N25 E26 L32 L33 L127 N128 R165I24-E29 HydrophobicContact CD1-CB 3.88Å; N25-E29 PolarHBondContact O-N 3.18Å; N25-E29 VanDerWaalsContact O-N 3.09Å; E26-E29 PolarHBondContact O-N 3.47Å; E29-L32 PolarHBondContact O-N 3.29Å; E29-L33 HydrophobicContact CG-CD1 3.83Å; E29-L33 HydrophobicContact CG-CG 4.44Å; E29-L33 WeakPolarHBondContact O-CB 3.44Å; E29-L33 VanDerWaalsContact O-CG 3.29Å; E29-L33 WeakPolarHBondContact O-CG 3.42Å; E29-L33 PolarHBondContact O-N 3.43Å; E29-L127 HydrophobicContact CG-CD2 4.2Å; E29-L127 WeakPolarHBondContact OE1-CA 3.32Å; E29-N128 PolarHBondContact OE1-N 2.96Å; E29-R165 HydrophobicContact CB-CG 3.96Å; E29-R165 HydrophobicContact CG-CG 4.32Å; E29-R165 WeakPolarHBondContact OE2-CD 3.2Å; E29-R165 WeakPolarHBondContact OE2-CG 3.32Å; E29-R165 IonicContact OE2-CZ 2.78Å; E29-R165 IonicContact OE2-NH1 2.87Å; E29-R165 PolarHBondContact OE2-NH1 2.9Å
30Q98.6Very high97.7Very high107 Ų10759.1 Ų59.150%0.530%0.3SS..Hα-helixtrans-64.3-43.5179.6-64.9-54.2-36.700112.1E26 E27 K34E26-Q30 WeakPolarHBondContact O-CG 3.45Å; E26-Q30 PolarHBondContact O-N 3.01Å; E27-Q30 PolarHBondContact O-N 3.05Å; Q30-K34 WeakPolarHBondContact O-CB 3.47Å; Q30-K34 PolarHBondContact O-N 3.1Å
31E98.5Very high97.4Very high80 Ų8065.9 Ų65.937%0.37434%0.335SS..Hα-helixtrans-62.4-45.2176.5-168.2-161.9151.900111.4E27 K34 H35 K75E27-E31 WeakPolarHBondContact O-CB 3.49Å; E27-E31 PolarHBondContact O-N 2.77Å; E31-K34 PolarHBondContact O-N 2.59Å; E31-H35 PolarHBondContact O-CD2 2.85Å; E31-H35 VanDerWaalsContact O-CD2 3.32Å; E31-H35 PolarHBondContact O-N 3.32Å; E31-K75 IonicContact OE1-NZ 3.58Å; E31-K75 PolarHBondContact OE1-NZ 2.91Å; E31-K75 IonicContact OE2-NZ 2.81Å; E31-K75 PolarHBondContact OE2-NZ 3.19Å
32L98.6Very high97.2Very high1 Ų169.3 Ų69.31%0.00536%0.357CS..Hα-helixtrans-64.6-46179.8-179.853.1000111.5E28 E29 K34 H35 I36 W72 Y76 L127 V234E28-L32 WeakPolarHBondContact O-CB 3.3Å; E28-L32 PolarHBondContact O-N 3.45Å; E29-L32 PolarHBondContact O-N 3.29Å; L32-K34 PolarHBondContact O-N 3.18Å; L32-H35 PolarHBondContact O-N 3.2Å; L32-I36 HydrophobicContact CD1-CD1 3.91Å; L32-I36 HydrophobicContact CD1-CG1 4.23Å; L32-I36 HydrophobicContact CG-CD1 3.88Å; L32-I36 WeakPolarHBondContact O-CB 3.45Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.29Å; L32-I36 PolarHBondContact O-N 2.62Å; L32-W72 HydrophobicContact CD1-CE3 3.74Å; L32-W72 HydrophobicContact CD1-CZ3 3.58Å; L32-Y76 HydrophobicContact CB-CE2 4.12Å; L32-Y76 HydrophobicContact CD1-CD2 4.11Å; L32-Y76 HydrophobicContact CD1-CE2 3.78Å; L32-Y76 HydrophobicContact CD2-CD2 4.16Å; L32-Y76 HydrophobicContact CD2-CE1 4.44Å; L32-Y76 HydrophobicContact CD2-CE2 3.84Å; L32-Y76 HydrophobicContact CG-CE2 4.13Å; L32-L127 HydrophobicContact CD2-CD1 3.7Å; L32-L127 HydrophobicContact CD2-CD2 4.04Å; L32-L127 HydrophobicContact CD2-CG 4.49Å; L32-L127 HydrophobicContact CG-CD1 3.87Å; L32-V234 HydrophobicContact CD2-CG2 4.19Å
33L98.7Very high97.2Very high10 Ų1067.8 Ų67.85%0.05235%0.346CS..Hα-helixtrans-59.8-45.5175-73.2170000111.1E29 H35 I36 Y37 L127 N128 V232E29-L33 HydrophobicContact CG-CD1 3.83Å; E29-L33 HydrophobicContact CG-CG 4.44Å; E29-L33 WeakPolarHBondContact O-CB 3.44Å; E29-L33 VanDerWaalsContact O-CG 3.29Å; E29-L33 WeakPolarHBondContact O-CG 3.42Å; E29-L33 PolarHBondContact O-N 3.43Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 2.7Å; L33-I36 PolarHBondContact O-N 2.84Å; L33-Y37 HydrophobicContact CB-CD2 4.37Å; L33-Y37 HydrophobicContact CB-CE2 4.28Å; L33-Y37 HydrophobicContact CD2-CE2 3.96Å; L33-Y37 WeakPolarHBondContact O-CD2 3.36Å; L33-Y37 PolarHBondContact O-N 2.95Å; L33-L127 HydrophobicContact CD2-CB 3.99Å; L33-L127 HydrophobicContact CD2-CD1 4.04Å; L33-L127 HydrophobicContact CG-CB 4.42Å; L33-L127 HydrophobicContact CG-CD1 4.37Å; L33-N128 HydrophobicContact CD1-CB 4.05Å; L33-N128 HydrophobicContact CD2-CB 4.28Å; L33-V232 HydrophobicContact CD2-CB 4.04Å; L33-V232 HydrophobicContact CD2-CG1 4.44Å; L33-V232 HydrophobicContact CD2-CG2 3.97Å
34K98.5Very high97.1Very high148 Ų14867.9 Ų67.964%0.64335%0.346SS*.Hα-helixtrans-55.4-46.6176.7-179.6-178.7177.7-178.80111.6Q30 E31 L32 S38Q30-K34 WeakPolarHBondContact O-CB 3.47Å; Q30-K34 PolarHBondContact O-N 3.1Å; E31-K34 PolarHBondContact O-N 2.59Å; L32-K34 PolarHBondContact O-N 3.18Å; K34-S38 VanDerWaalsContact O-CB 3.28Å; K34-S38 WeakPolarHBondContact O-CB 3.33Å; K34-S38 PolarHBondContact O-N 3.31Å; K34-S38 PolarHBondContact O-OG 2.78Å
35H98.3Very high97Very high66 Ų6671.4 Ų71.431%0.30637%0.367SS..Hα-helixtrans-67.4-41.4178.2-81-59.7000113.4E31 L32 L33 Y37 S38 A39 W72E31-H35 PolarHBondContact O-CD2 2.85Å; E31-H35 VanDerWaalsContact O-CD2 3.32Å; E31-H35 PolarHBondContact O-N 3.32Å; L32-H35 PolarHBondContact O-N 3.2Å; L33-H35 VanDerWaalsContact C-N 3.32Å; L33-H35 PolarHBondContact O-N 2.7Å; H35-Y37 PolarHBondContact O-N 3.35Å; H35-S38 PolarHBondContact O-N 3.23Å; H35-A39 PolarHBondContact O-N 3.39Å; H35-W72 HydrophobicContact CB-CB 4.42Å; H35-W72 HydrophobicContact CB-CD2 3.53Å; H35-W72 HydrophobicContact CB-CE3 3.69Å; H35-W72 HydrophobicContact CB-CG 3.85Å; H35-W72 HydrophobicContact CB-CZ2 4.4Å; H35-W72 HydrophobicContact CB-CZ3 4.21Å; H35-W72 AromaticContact CD2-CG 3.86Å; H35-W72 AromaticContact CG-CD1 3.88Å; H35-W72 AromaticContact CG-CD2 3.89Å; H35-W72 AromaticContact CG-CG 3.61Å; H35-W72 AromaticContact ND1-CD1 3.75Å; H35-W72 AromaticContact ND1-CG 3.93Å
36I98.3Very high96.9Very high0 Ų072.7 Ų72.70%038%0.382CS..Hα-helixtrans-57.5-49.2175.8-74.1166.7000110.4L32 L33 S38 A39 W44 Q53 W72 V100 L127 V232 V234L32-I36 HydrophobicContact CD1-CD1 3.91Å; L32-I36 HydrophobicContact CD1-CG1 4.23Å; L32-I36 HydrophobicContact CG-CD1 3.88Å; L32-I36 WeakPolarHBondContact O-CB 3.45Å; L32-I36 VanDerWaalsContact O-CG1 3.28Å; L32-I36 WeakPolarHBondContact O-CG1 3.29Å; L32-I36 PolarHBondContact O-N 2.62Å; L33-I36 PolarHBondContact O-N 2.84Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.24Å; I36-A39 VanDerWaalsContact O-CB 3.28Å; I36-A39 WeakPolarHBondContact O-CB 3.48Å; I36-A39 PolarHBondContact O-N 3.3Å; I36-W44 HydrophobicContact CG2-CH2 3.79Å; I36-W44 HydrophobicContact CG2-CZ2 3.81Å; I36-Q53 PolarHBondContact O-NE2 2.98Å; I36-W72 HydrophobicContact CG1-CH2 4.16Å; I36-W72 HydrophobicContact CG1-CZ3 4.05Å; I36-V100 HydrophobicContact CD1-CG1 3.91Å; I36-V100 HydrophobicContact CG1-CG1 4.18Å; I36-V100 HydrophobicContact CG1-CG2 4.46Å; I36-V100 HydrophobicContact CG2-CG1 3.82Å; I36-L127 HydrophobicContact CD1-CD1 3.92Å; I36-V232 HydrophobicContact CD1-CG1 4.01Å; I36-V232 HydrophobicContact CG2-CG1 4.46Å; I36-V234 HydrophobicContact CD1-CG2 3.83Å
37Y98.1Very high96.7Very high86 Ų8670.2 Ų70.234%0.33737%0.372SS..Hα-helixtrans-74.8-21.2-179.3-69-64.7000113.8L33 H35 A39 W44 E102 K230 V232L33-Y37 HydrophobicContact CB-CD2 4.37Å; L33-Y37 HydrophobicContact CB-CE2 4.28Å; L33-Y37 HydrophobicContact CD2-CE2 3.96Å; L33-Y37 WeakPolarHBondContact O-CD2 3.36Å; L33-Y37 PolarHBondContact O-N 2.95Å; H35-Y37 PolarHBondContact O-N 3.35Å; Y37-A39 VanDerWaalsContact C-N 3.25Å; Y37-A39 PolarHBondContact O-N 2.91Å; Y37-W44 HydrophobicContact CD1-CZ2 4.18Å; Y37-W44 HydrophobicContact CE1-CZ2 4.49Å; Y37-E102 WeakPolarHBondContact CE1-OE2 3.49Å; Y37-K230 VanDerWaalsContact OH-CD 3.23Å; Y37-K230 WeakPolarHBondContact OH-CD 3.06Å; Y37-V232 WeakPolarHBondContact OH-CG2 3.44Å
38S97.5Very high96.4Very high83 Ų8374.2 Ų74.258%0.5838%0.381SS*.THydrogen-bonded Turntrans-79.8-4.7173.6-57.30000113.4K34 H35 I36K34-S38 VanDerWaalsContact O-CB 3.28Å; K34-S38 WeakPolarHBondContact O-CB 3.33Å; K34-S38 PolarHBondContact O-N 3.31Å; K34-S38 PolarHBondContact O-OG 2.78Å; H35-S38 PolarHBondContact O-N 3.23Å; I36-S38 VanDerWaalsContact C-N 3.32Å; I36-S38 PolarHBondContact O-N 3.24Å
39A95.6Very high96.2Very high12 Ų1273.5 Ų73.510%0.09938%0.383CS..SBendtrans-60.6141.4176.400000110.8H35 I36 Y37 K43 W55H35-A39 PolarHBondContact O-N 3.39Å; I36-A39 VanDerWaalsContact O-CB 3.28Å; I36-A39 WeakPolarHBondContact O-CB 3.48Å; I36-A39 PolarHBondContact O-N 3.3Å; Y37-A39 VanDerWaalsContact C-N 3.25Å; Y37-A39 PolarHBondContact O-N 2.91Å; A39-K43 HydrophobicContact CB-CB 4.26Å; A39-W55 HydrophobicContact CB-CZ2 4.16Å
40P93.2Very high96.1Very high88 Ų8875.6 Ų75.657%0.57139%0.391SS*.  trans-54.6143.3177.7-25.634.1000112P42 K43P40-P42 VanDerWaalsContact C-N 3.27Å; P40-P42 VanDerWaalsContact O-N 3.1Å; P40-K43 WeakPolarHBondContact O-CB 3.43Å; P40-K43 PolarHBondContact O-N 2.95Å
41L90.4Very high96Very high151 Ų15174.1 Ų74.179%0.79138%0.381SS*.G310 helixtrans-47.9-40.9-179.7-68.2173.2000114.2K43 W44L41-K43 PolarHBondContact O-N 3.46Å; L41-K43 VanDerWaalsContact O-N 3.11Å; L41-W44 PolarHBondContact O-N 2.87Å
42P93.1Very high96Very high119 Ų11971.6 Ų71.677%0.77337%0.37SS*.G310 helixtrans-63.6-14.8177.3-24.235.8000115.4P40 W44P40-P42 VanDerWaalsContact C-N 3.27Å; P40-P42 VanDerWaalsContact O-N 3.1Å; P42-W44 VanDerWaalsContact C-N 3.28Å
43K94.5Very high95.9Very high63 Ų6371.6 Ų71.627%0.27437%0.37SS..G310 helixtrans-75.4-18.2172.8-76.9-67.7-172.7179.80112.7A39 P40 L41 Q53 W55 E67A39-K43 HydrophobicContact CB-CB 4.26Å; P40-K43 WeakPolarHBondContact O-CB 3.43Å; P40-K43 PolarHBondContact O-N 2.95Å; L41-K43 PolarHBondContact O-N 3.46Å; L41-K43 VanDerWaalsContact O-N 3.11Å; K43-Q53 WeakPolarHBondContact O-CA 3.43Å; K43-W55 HydrophobicContact CD-CH2 4.37Å; K43-W55 HydrophobicContact CG-CH2 4.32Å; K43-W55 HydrophobicContact CG-CZ2 4.44Å; K43-E67 IonicContact NZ-OE2 3.21Å
44W96.9Very high95.8Very high33 Ų3373 Ų7313%0.12538%0.377CS..  trans-90.9122.2175.6-70.6103.3000111I36 Y37 L41 P42 R51 L52 Q53 E102I36-W44 HydrophobicContact CG2-CH2 3.79Å; I36-W44 HydrophobicContact CG2-CZ2 3.81Å; Y37-W44 HydrophobicContact CD1-CZ2 4.18Å; Y37-W44 HydrophobicContact CE1-CZ2 4.49Å; L41-W44 PolarHBondContact O-N 2.87Å; P42-W44 VanDerWaalsContact C-N 3.28Å; W44-R51 HydrophobicContact CE3-CB 4.12Å; W44-R51 HydrophobicContact CE3-CG 3.61Å; W44-R51 HydrophobicContact CZ3-CG 3.66Å; W44-L52 CarbonylContact C-O 3.57Å; W44-L52 WeakPolarHBondContact CA-O 3.44Å; W44-Q53 HydrophobicContact CD2-CG 3.75Å; W44-Q53 HydrophobicContact CE3-CG 3.58Å; W44-Q53 HydrophobicContact CG-CG 4.43Å; W44-Q53 HydrophobicContact CH2-CG 4.09Å; W44-Q53 HydrophobicContact CZ2-CG 4.22Å; W44-Q53 HydrophobicContact CZ3-CG 3.75Å; W44-E102 HydrophobicContact CH2-CB 4.26Å; W44-E102 WeakPolarHBondContact CH2-OE2 3.46Å; W44-E102 HydrophobicContact CZ3-CB 4.14Å
45V96.2Very high95.8Very high78 Ų7867.1 Ų67.147%0.47335%0.351SS..EExtended strand (participates in β ladder)trans-110.8126.2171.4-178.60000108.2L47 R51 L52V45-L47 HydrophobicContact CG1-CD2 4.25Å; V45-R51 CarbonylContact O-C 3.53Å; V45-R51 WeakPolarHBondContact O-CA 3.44Å; V45-L52 PolarHBondContact N-O 2.86Å; V45-L52 PolarHBondContact O-N 3.39Å
46S95.3Very high95.8Very high103 Ų10364.1 Ų64.172%0.7234%0.338SS*.EExtended strand (participates in β ladder)trans-84.8131.6174.2-62.70000110
47L93.8Very high95.6Very high72 Ų7264.1 Ų64.138%0.37734%0.338SS..EExtended strand (participates in β ladder)trans-120172.7175.7-61.1177000108.8V45 G49 R50 L52V45-L47 HydrophobicContact CG1-CD2 4.25Å; L47-G49 PolarHBondContact O-N 3.16Å; L47-G49 VanDerWaalsContact O-N 3.11Å; L47-R50 CarbonylContact C-O 3.57Å; L47-R50 HydrophobicContact CB-CG 4.2Å; L47-R50 PolarHBondContact N-O 3.17Å; L47-R50 PolarHBondContact O-N 2.88Å; L47-L52 HydrophobicContact CD1-CB 4.15Å; L47-L52 HydrophobicContact CD1-CD2 3.99Å
48R92.3Very high95.5Very high218 Ų21865.6 Ų65.682%0.82335%0.351SS*.THydrogen-bonded Turntrans-61.4119.4171-176.2177.1174.2174.5-0.3109.2R50R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 2.81Å
49G94.4Very high95.3Very high19 Ų1962.6 Ų62.620%0.19633%0.329CS..THydrogen-bonded Turntrans74.810.9173.600000115.7L47 Q107 G108L47-G49 PolarHBondContact O-N 3.16Å; L47-G49 VanDerWaalsContact O-N 3.11Å; G49-Q107 WeakPolarHBondContact O-CB 3.27Å; G49-Q107 VanDerWaalsContact O-CG 3.3Å; G49-Q107 WeakPolarHBondContact O-CG 3.37Å; G49-Q107 PolarHBondContact O-OE1 3.28Å; G49-G108 PolarHBondContact O-N 3.17Å
50R97.2Very high95.2Very high50 Ų5067 Ų6719%0.18935%0.347CS..EExtended strand (participates in β ladder)trans-169.7172173.865.9-175-173.2-78.83.6111.9L47 R48 N101 E102 Y103 I109L47-R50 CarbonylContact C-O 3.57Å; L47-R50 HydrophobicContact CB-CG 4.2Å; L47-R50 PolarHBondContact N-O 3.17Å; L47-R50 PolarHBondContact O-N 2.88Å; R48-R50 VanDerWaalsContact C-N 3.33Å; R48-R50 PolarHBondContact O-N 2.81Å; R50-N101 WeakPolarHBondContact CD-OD1 3.34Å; R50-N101 PolarHBondContact NE-OD1 3.11Å; R50-E102 WeakPolarHBondContact CA-O 3.4Å; R50-E102 VanDerWaalsContact CB-O 3.3Å; R50-E102 WeakPolarHBondContact CB-O 3.25Å; R50-Y103 HydrophobicContact CB-CD1 3.72Å; R50-Y103 HydrophobicContact CB-CE1 3.65Å; R50-Y103 HydrophobicContact CB-CG 4.39Å; R50-Y103 VanDerWaalsContact CD-CE1 3.42Å; R50-Y103 VanDerWaalsContact CD-CZ 3.48Å; R50-Y103 VanDerWaalsContact CD-OH 3.26Å; R50-Y103 WeakPolarHBondContact CD-OH 3.44Å; R50-Y103 HydrophobicContact CG-CE1 4.15Å; R50-I109 VanDerWaalsContact NH1-CD1 3.31Å; R50-I109 VanDerWaalsContact NH2-CD1 3.35Å
51R97.6Very high95.1Very high76 Ų7668.2 Ų68.229%0.28735%0.353SS..EExtended strand (participates in β ladder)trans-12015816164.7176.4-171.5-174.30.4111.9W44 V45 N101 E102W44-R51 HydrophobicContact CE3-CB 4.12Å; W44-R51 HydrophobicContact CE3-CG 3.61Å; W44-R51 HydrophobicContact CZ3-CG 3.66Å; V45-R51 CarbonylContact O-C 3.53Å; V45-R51 WeakPolarHBondContact O-CA 3.44Å; R51-N101 WeakPolarHBondContact O-CA 3.41Å; R51-E102 HydrophobicContact CG-CB 3.88Å; R51-E102 HydrophobicContact CG-CG 4.49Å; R51-E102 IonicContact CZ-OE1 3.87Å; R51-E102 IonicContact CZ-OE2 3.01Å; R51-E102 PolarHBondContact N-O 3.33Å; R51-E102 VanDerWaalsContact N-O 3.1Å; R51-E102 IonicContact NE-OE1 3.19Å; R51-E102 PolarHBondContact NE-OE1 2.94Å; R51-E102 IonicContact NE-OE2 2.66Å; R51-E102 PolarHBondContact NE-OE2 2.86Å; R51-E102 VanDerWaalsContact NH2-CD 3.25Å; R51-E102 IonicContact NH2-OE1 3.97Å; R51-E102 PolarHBondContact NH2-OE1 2.71Å; R51-E102 IonicContact NH2-OE2 3.28Å; R51-E102 PolarHBondContact NH2-OE2 3.05Å; R51-E102 PolarHBondContact O-N 3.28Å
52L97Very high95.2Very high28 Ų2869.4 Ų69.415%0.14735%0.352CS..EExtended strand (participates in β ladder)trans-133.8143.3-166.217172.2000111.1W44 V45 L47 L99 V100W44-L52 CarbonylContact C-O 3.57Å; W44-L52 WeakPolarHBondContact CA-O 3.44Å; V45-L52 PolarHBondContact N-O 2.86Å; V45-L52 PolarHBondContact O-N 3.39Å; L47-L52 HydrophobicContact CD1-CB 4.15Å; L47-L52 HydrophobicContact CD1-CD2 3.99Å; L52-L99 HydrophobicContact CD1-CB 3.88Å; L52-L99 HydrophobicContact CD1-CD1 4.1Å; L52-L99 HydrophobicContact CD1-CD2 3.94Å; L52-L99 HydrophobicContact CD1-CG 4.17Å; L52-V100 CarbonylContact C-O 3.47Å; L52-V100 VanDerWaalsContact CA-O 3.27Å; L52-V100 WeakPolarHBondContact CA-O 3.48Å
53Q97.7Very high95.1Very high1 Ų164.3 Ų64.31%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-117150.9156.2-47.9179.20.600110.6I36 K43 W44 L99 V100I36-Q53 PolarHBondContact O-NE2 2.98Å; K43-Q53 WeakPolarHBondContact O-CA 3.43Å; W44-Q53 HydrophobicContact CD2-CG 3.75Å; W44-Q53 HydrophobicContact CE3-CG 3.58Å; W44-Q53 HydrophobicContact CG-CG 4.43Å; W44-Q53 HydrophobicContact CH2-CG 4.09Å; W44-Q53 HydrophobicContact CZ2-CG 4.22Å; W44-Q53 HydrophobicContact CZ3-CG 3.75Å; Q53-L99 WeakPolarHBondContact O-CA 3.42Å; Q53-V100 HydrophobicContact CB-CB 4.06Å; Q53-V100 HydrophobicContact CG-CB 4.31Å; Q53-V100 PolarHBondContact N-O 3.25Å; Q53-V100 PolarHBondContact O-N 2.83Å
54N97.1Very high95.1Very high38 Ų3861.3 Ų61.320%0.20331%0.308CS..EExtended strand (participates in β ladder)trans-124.5130.8176.1-169.9-19.2000111G57 H97 L99N54-G57 PolarHBondContact ND2-O 3.11Å; N54-G57 PolarHBondContact OD1-O 3.34Å; N54-H97 PolarHBondContact OD1-NE2 2.91Å; N54-L99 HydrophobicContact CB-CD2 3.81Å
55W97.8Very high95Very high25 Ų2563.7 Ų63.710%0.09532%0.322CS..EExtended strand (participates in β ladder)trans-133142.5-179.3-59.496.5000111.7A39 K43 P70 W72 L73 H97 V98A39-W55 HydrophobicContact CB-CZ2 4.16Å; K43-W55 HydrophobicContact CD-CH2 4.37Å; K43-W55 HydrophobicContact CG-CH2 4.32Å; K43-W55 HydrophobicContact CG-CZ2 4.44Å; W55-P70 HydrophobicContact CD2-CG 4.45Å; W55-P70 HydrophobicContact CE3-CG 3.61Å; W55-P70 HydrophobicContact CH2-CG 3.88Å; W55-P70 HydrophobicContact CZ3-CG 3.27Å; W55-W72 HydrophobicContact CH2-CZ2 4.25Å; W55-W72 HydrophobicContact CZ2-CH2 4.35Å; W55-W72 AromaticContact CZ2-CZ2 3.84Å; W55-W72 HydrophobicContact CZ2-CZ2 3.84Å; W55-L73 HydrophobicContact CB-CD2 3.8Å; W55-L73 HydrophobicContact CD2-CD2 4.33Å; W55-L73 HydrophobicContact CG-CD2 3.67Å; W55-H97 PolarHBondContact O-CD2 2.89Å; W55-H97 VanDerWaalsContact O-CD2 3.31Å; W55-V98 HydrophobicContact CB-CB 4.26Å; W55-V98 PolarHBondContact N-O 2.74Å; W55-V98 PolarHBondContact O-N 2.79Å
56G97.1Very high94.9Very high3 Ų362.1 Ų62.13%0.03132%0.318CS..SBendtrans93.8-9.7-179.700000114.7M64 E67G56-M64 WeakPolarHBondContact O-CE 3.46Å; G56-E67 PolarHBondContact O-N 3.31Å
57G95.7Very high94.9Very high0 Ų061.4 Ų61.40%030%0.303CS..  trans130.9178.5177.400000111.9N54 P59 L65 H97N54-G57 PolarHBondContact ND2-O 3.11Å; N54-G57 PolarHBondContact OD1-O 3.34Å; G57-P59 WeakPolarHBondContact O-CD 3.4Å; G57-L65 WeakPolarHBondContact CA-O 3.1Å; G57-H97 PolarHBondContact O-CD2 3.46Å; G57-H97 PolarHBondContact O-NE2 2.92Å
58I94.9Very high95Very high118 Ų11867.5 Ų67.561%0.60533%0.326SS*.  trans-109.6107.5176.9-57.1177.5000108.8H60I58-H60 PolarHBondContact O-N 3.27Å
59P94.4Very high95.2Very high20 Ų2057.9 Ų57.913%0.1329%0.292CS..EExtended strand (participates in β ladder)trans-59.8134.5175.2-27.437.9000111.8G57 M64 H97 L117 Y118 V239G57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-M64 HydrophobicContact CG-CG 4.37Å; P59-M64 HydrophobicContact CG-SD 3.73Å; P59-H97 WeakPolarHBondContact CD-NE2 3.39Å; P59-L117 HydrophobicContact CB-CD1 4.07Å; P59-Y118 HydrophobicContact CB-CE1 4.3Å; P59-Y118 HydrophobicContact CG-CE1 3.79Å; P59-Y118 WeakPolarHBondContact CG-OH 3.43Å; P59-V239 HydrophobicContact CB-CG2 4.47Å; P59-V239 HydrophobicContact CG-CG2 3.88Å
60H93.6Very high95.3Very high103 Ų10358.4 Ų58.448%0.47729%0.292SS..EExtended strand (participates in β ladder)trans-139.3162.6177.2-177.4-99.4000109.6I58 K62 G63I58-H60 PolarHBondContact O-N 3.27Å; H60-K62 PolarHBondContact ND1-N 2.84Å; H60-K62 VanDerWaalsContact ND1-N 3.19Å; H60-K62 PolarHBondContact O-N 2.89Å; H60-G63 WeakPolarHBondContact CB-O 3.45Å; H60-G63 PolarHBondContact N-O 3.29Å; H60-G63 CarbonylContact O-C 3.58Å; H60-G63 WeakPolarHBondContact O-CA 3.24Å; H60-G63 PolarHBondContact O-N 2.83Å
61V91.3Very high95.3Very high115 Ų11564.2 Ų64.270%0.69732%0.321SS*.THydrogen-bonded Turntrans-58.3-22.3178.6-63.50000113.7G63 L117V61-G63 VanDerWaalsContact C-N 3.35Å; V61-L117 HydrophobicContact CG1-CD2 4.36Å
62K91.9Very high95.3Very high175 Ų17562.5 Ų62.576%0.76132%0.315SS*.THydrogen-bonded Turntrans-89.64.2175.2-62.9-175.9178.8179.70113.7H60H60-K62 PolarHBondContact ND1-N 2.84Å; H60-K62 VanDerWaalsContact ND1-N 3.19Å; H60-K62 PolarHBondContact O-N 2.89Å
63G91.2Very high95.4Very high12 Ų1261.1 Ų61.112%0.12431%0.308CS..EExtended strand (participates in β ladder)trans106.4176.6-172.500000112.8H60 V61 N241H60-G63 WeakPolarHBondContact CB-O 3.45Å; H60-G63 PolarHBondContact N-O 3.29Å; H60-G63 CarbonylContact O-C 3.58Å; H60-G63 WeakPolarHBondContact O-CA 3.24Å; H60-G63 PolarHBondContact O-N 2.83Å; V61-G63 VanDerWaalsContact C-N 3.35Å; G63-N241 CarbonylContact C-O 3.49Å; G63-N241 WeakPolarHBondContact CA-ND2 3.27Å; G63-N241 WeakPolarHBondContact CA-O 3.32Å; G63-N241 PolarHBondContact N-ND2 3.16Å
64M95.1Very high95.4Very high1 Ų164 Ų641%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-107.9134.2176.5-176.5175.573.400110.1G56 P59 A66 H97 V239 N241 V242 S243G56-M64 WeakPolarHBondContact O-CE 3.46Å; P59-M64 HydrophobicContact CG-CG 4.37Å; P59-M64 HydrophobicContact CG-SD 3.73Å; M64-A66 PolarHBondContact O-N 3.49Å; M64-H97 HydrophobicContact CE-CB 4.45Å; M64-H97 HydrophobicContact SD-CB 4.36Å; M64-V239 HydrophobicContact CB-CG1 3.93Å; M64-V239 HydrophobicContact CE-CB 4.05Å; M64-V239 HydrophobicContact CE-CG2 4.08Å; M64-V239 HydrophobicContact SD-CB 4.41Å; M64-V239 HydrophobicContact SD-CG2 3.98Å; M64-N241 PolarHBondContact N-O 3.26Å; M64-V242 HydrophobicContact CE-CG2 4.15Å; M64-V242 WeakPolarHBondContact O-CA 3.28Å; M64-S243 PolarHBondContact O-N 3.23Å
65L94.1Very high95.4Very high82 Ų8265.2 Ų65.243%0.42932%0.324SS..EExtended strand (participates in β ladder)trans-78117.9164.6-171.667.5000108.7G57 E67 I245G57-L65 WeakPolarHBondContact CA-O 3.1Å; L65-E67 PolarHBondContact O-N 2.88Å; L65-I245 HydrophobicContact CD1-CD1 4.13Å; L65-I245 HydrophobicContact CD1-CG1 3.47Å; L65-I245 VanDerWaalsContact CD1-CG1 3.47Å; L65-I245 HydrophobicContact CD2-CD1 3.86Å; L65-I245 HydrophobicContact CD2-CG1 4.17Å; L65-I245 HydrophobicContact CG-CD1 4.49Å; L65-I245 HydrophobicContact CG-CG1 4.28Å
66A94Very high95.5Very high45 Ų4564 Ų6437%0.37232%0.32SS..  trans-67.4126.9-178.900000111.8M64 V242 S243 K244M64-A66 PolarHBondContact O-N 3.49Å; A66-V242 HydrophobicContact CB-CG1 3.7Å; A66-S243 PolarHBondContact N-O 3.06Å; A66-S243 VanDerWaalsContact N-O 3.1Å; A66-K244 HydrophobicContact CB-CG 4.4Å
67E95Very high95.5Very high88 Ų8863.9 Ų63.941%0.41132%0.319SS..  trans-108.9153.3171.3-67.7177.8-154.900110.9K43 G56 L65 V69K43-E67 IonicContact NZ-OE2 3.21Å; G56-E67 PolarHBondContact O-N 3.31Å; L65-E67 PolarHBondContact O-N 2.88Å; E67-V69 PolarHBondContact O-N 3.45Å
68K95Very high95.6Very high200 Ų20067.5 Ų67.587%0.8734%0.338SS*.PPolyproline II helixtrans-66.6123.4175.9-175177.3-179.9179.90110.1
69V96.7Very high95.7Very high17 Ų1765.9 Ų65.910%0.10332%0.324CS..PPolyproline II helixtrans-82.5135.5170-177.20000109.3E67 L73 M77E67-V69 PolarHBondContact O-N 3.45Å; V69-L73 HydrophobicContact CG1-CB 3.86Å; V69-L73 HydrophobicContact CG1-CD2 3.99Å; V69-L73 HydrophobicContact CG1-CG 3.98Å; V69-M77 HydrophobicContact CB-SD 4.2Å; V69-M77 HydrophobicContact CG1-SD 3.58Å; V69-M77 VanDerWaalsContact CG1-SD 3.58Å; V69-M77 HydrophobicContact CG2-CE 4.24Å; V69-M77 HydrophobicContact CG2-SD 3.93Å
70P97.2Very high95.9Very high30 Ų3065 Ų6520%0.19532%0.318CS..PPolyproline II helixtrans-60.3146172.3-23.433.4000113W55 W72 L73 Q74W55-P70 HydrophobicContact CD2-CG 4.45Å; W55-P70 HydrophobicContact CE3-CG 3.61Å; W55-P70 HydrophobicContact CH2-CG 3.88Å; W55-P70 HydrophobicContact CZ3-CG 3.27Å; P70-W72 VanDerWaalsContact C-N 3.28Å; P70-W72 VanDerWaalsContact CB-CD1 3.44Å; P70-W72 HydrophobicContact CB-CD2 4.3Å; P70-W72 HydrophobicContact CB-CG 4.13Å; P70-W72 HydrophobicContact CB-CZ2 4.32Å; P70-W72 HydrophobicContact CG-CZ2 4.18Å; P70-W72 PolarHBondContact O-N 3.02Å; P70-L73 PolarHBondContact O-N 2.78Å; P70-Q74 PolarHBondContact O-N 2.94Å
71Q97.4Very high96Very high171 Ų17160.8 Ų60.880%0.79930%0.3SS*.Hα-helixtrans-59.7-36.4-177.1-171176.415.900113.4L73 Q74 K75Q71-L73 PolarHBondContact O-N 2.81Å; Q71-L73 VanDerWaalsContact O-N 3.17Å; Q71-Q74 PolarHBondContact O-N 3.39Å; Q71-K75 PolarHBondContact O-N 2.89Å
72W97.4Very high96.1Very high40 Ų4059 Ų5915%0.15230%0.298CS..Hα-helixtrans-59.1-26.717763.6-105.2000112.8L32 H35 I36 W55 P70 Y76L32-W72 HydrophobicContact CD1-CE3 3.74Å; L32-W72 HydrophobicContact CD1-CZ3 3.58Å; H35-W72 HydrophobicContact CB-CB 4.42Å; H35-W72 HydrophobicContact CB-CD2 3.53Å; H35-W72 HydrophobicContact CB-CE3 3.69Å; H35-W72 HydrophobicContact CB-CG 3.85Å; H35-W72 HydrophobicContact CB-CZ2 4.4Å; H35-W72 HydrophobicContact CB-CZ3 4.21Å; H35-W72 AromaticContact CD2-CG 3.86Å; H35-W72 AromaticContact CG-CD1 3.88Å; H35-W72 AromaticContact CG-CD2 3.89Å; H35-W72 AromaticContact CG-CG 3.61Å; H35-W72 AromaticContact ND1-CD1 3.75Å; H35-W72 AromaticContact ND1-CG 3.93Å; I36-W72 HydrophobicContact CG1-CH2 4.16Å; I36-W72 HydrophobicContact CG1-CZ3 4.05Å; W55-W72 HydrophobicContact CH2-CZ2 4.25Å; W55-W72 HydrophobicContact CZ2-CH2 4.35Å; W55-W72 AromaticContact CZ2-CZ2 3.84Å; W55-W72 HydrophobicContact CZ2-CZ2 3.84Å; P70-W72 VanDerWaalsContact C-N 3.28Å; P70-W72 VanDerWaalsContact CB-CD1 3.44Å; P70-W72 HydrophobicContact CB-CD2 4.3Å; P70-W72 HydrophobicContact CB-CG 4.13Å; P70-W72 HydrophobicContact CB-CZ2 4.32Å; P70-W72 HydrophobicContact CG-CZ2 4.18Å; P70-W72 PolarHBondContact O-N 3.02Å; W72-Y76 WeakPolarHBondContact O-CD2 3.43Å; W72-Y76 VanDerWaalsContact O-CE2 3.27Å; W72-Y76 WeakPolarHBondContact O-CE2 3.2Å
73L98.3Very high96.2Very high0 Ų052.5 Ų52.50%027%0.271CS..Hα-helixtrans-96-37.9176.9-173.153.6000111.9W55 V69 P70 Q71 K75 Y76 M77 V98 V234W55-L73 HydrophobicContact CB-CD2 3.8Å; W55-L73 HydrophobicContact CD2-CD2 4.33Å; W55-L73 HydrophobicContact CG-CD2 3.67Å; V69-L73 HydrophobicContact CG1-CB 3.86Å; V69-L73 HydrophobicContact CG1-CD2 3.99Å; V69-L73 HydrophobicContact CG1-CG 3.98Å; P70-L73 PolarHBondContact O-N 2.78Å; Q71-L73 PolarHBondContact O-N 2.81Å; Q71-L73 VanDerWaalsContact O-N 3.17Å; L73-K75 PolarHBondContact O-N 2.92Å; L73-Y76 PolarHBondContact O-N 2.94Å; L73-M77 PolarHBondContact O-N 3.15Å; L73-V98 HydrophobicContact CD1-CG1 4.2Å; L73-V98 HydrophobicContact CD1-CG2 4.47Å; L73-V98 HydrophobicContact CD2-CB 3.94Å; L73-V98 HydrophobicContact CD2-CG1 3.97Å; L73-V98 HydrophobicContact CD2-CG2 4.05Å; L73-V98 HydrophobicContact CG-CG2 4.21Å; L73-V234 HydrophobicContact CD1-CG1 3.79Å
74Q98.2Very high96.3Very high60 Ų6054.9 Ų54.928%0.2829%0.285SS..Hα-helixtrans-53.7-38.9179.2-172.663.957.900111.8P70 Q71 Y76 M77 D78P70-Q74 PolarHBondContact O-N 2.94Å; Q71-Q74 PolarHBondContact O-N 3.39Å; Q74-Y76 PolarHBondContact O-N 3.34Å; Q74-M77 WeakPolarHBondContact O-CB 3.02Å; Q74-M77 PolarHBondContact O-N 2.82Å; Q74-M77 VanDerWaalsContact O-N 3.07Å; Q74-D78 PolarHBondContact NE2-OD1 2.92Å; Q74-D78 VanDerWaalsContact O-CG 3.28Å; Q74-D78 PolarHBondContact O-N 3.25Å
75K97.8Very high96.1Very high64 Ų6455 Ų5528%0.27829%0.286SS..Hα-helixtrans-55.8-36.9177.873.8-176-174.1179.30113.3E31 Q71 L73 R79E31-K75 IonicContact OE1-NZ 3.58Å; E31-K75 PolarHBondContact OE1-NZ 2.91Å; E31-K75 IonicContact OE2-NZ 2.81Å; E31-K75 PolarHBondContact OE2-NZ 3.19Å; Q71-K75 PolarHBondContact O-N 2.89Å; L73-K75 PolarHBondContact O-N 2.92Å; K75-R79 WeakPolarHBondContact O-CB 3.29Å; K75-R79 PolarHBondContact O-N 2.92Å; K75-R79 VanDerWaalsContact O-N 3.1Å
76Y98.5Very high96Very high0 Ų051.1 Ų51.10%027%0.266CS..Hα-helixtrans-80-34.3177.7-59.6-74.3000112I24 E28 L32 W72 L73 Q74 D78 R79 V80 I125I24-Y76 HydrophobicContact CG2-CD1 3.99Å; I24-Y76 HydrophobicContact CG2-CE1 3.69Å; E28-Y76 HydrophobicContact CB-CE1 4.43Å; E28-Y76 PolarHBondContact O-OH 2.99Å; E28-Y76 VanDerWaalsContact O-OH 3.11Å; L32-Y76 HydrophobicContact CB-CE2 4.12Å; L32-Y76 HydrophobicContact CD1-CD2 4.11Å; L32-Y76 HydrophobicContact CD1-CE2 3.78Å; L32-Y76 HydrophobicContact CD2-CD2 4.16Å; L32-Y76 HydrophobicContact CD2-CE1 4.44Å; L32-Y76 HydrophobicContact CD2-CE2 3.84Å; L32-Y76 HydrophobicContact CG-CE2 4.13Å; W72-Y76 WeakPolarHBondContact O-CD2 3.43Å; W72-Y76 VanDerWaalsContact O-CE2 3.27Å; W72-Y76 WeakPolarHBondContact O-CE2 3.2Å; L73-Y76 PolarHBondContact O-N 2.94Å; Q74-Y76 PolarHBondContact O-N 3.34Å; Y76-D78 VanDerWaalsContact C-N 3.32Å; Y76-R79 PolarHBondContact O-N 3Å; Y76-V80 WeakPolarHBondContact O-CG2 3.48Å; Y76-V80 PolarHBondContact O-N 3.17Å; Y76-I125 HydrophobicContact CD1-CD1 4.04Å; Y76-I125 HydrophobicContact CG-CD1 4.18Å
77M98.3Very high95.7Very high1 Ų150.6 Ų50.61%0.00526%0.256CS..Hα-helixtrans-62.1-41.2171.6-66.1177.464.200111.8V69 L73 Q74 S81 A95 N96 V98 I236V69-M77 HydrophobicContact CB-SD 4.2Å; V69-M77 HydrophobicContact CG1-SD 3.58Å; V69-M77 VanDerWaalsContact CG1-SD 3.58Å; V69-M77 HydrophobicContact CG2-CE 4.24Å; V69-M77 HydrophobicContact CG2-SD 3.93Å; L73-M77 PolarHBondContact O-N 3.15Å; Q74-M77 WeakPolarHBondContact O-CB 3.02Å; Q74-M77 PolarHBondContact O-N 2.82Å; Q74-M77 VanDerWaalsContact O-N 3.07Å; M77-S81 WeakPolarHBondContact O-CB 3.48Å; M77-S81 PolarHBondContact O-N 3.1Å; M77-S81 PolarHBondContact O-OG 3.21Å; M77-A95 HydrophobicContact CB-CB 4.12Å; M77-A95 VanDerWaalsContact CE-C 3.42Å; M77-A95 HydrophobicContact CE-CB 3.98Å; M77-A95 VanDerWaalsContact CE-O 3.25Å; M77-A95 WeakPolarHBondContact CE-O 3.28Å; M77-N96 VanDerWaalsContact CE-CA 3.46Å; M77-V98 HydrophobicContact CE-CG2 4.14Å; M77-V98 HydrophobicContact CG-CG2 3.59Å; M77-V98 HydrophobicContact SD-CG2 3.45Å; M77-V98 WeakPolarHBondContact SD-CG2 3.32Å; M77-I236 HydrophobicContact CB-CG2 4.49Å; M77-I236 HydrophobicContact CG-CG1 4.48Å; M77-I236 HydrophobicContact CG-CG2 4.17Å
78D97.5Very high94.9Very high76 Ų7651.7 Ų51.741%0.40626%0.26SS..Hα-helixtrans-66.4-42.9176-66.5-20.2000110.8Q74 Y76 V80 S81 A82Q74-D78 PolarHBondContact NE2-OD1 2.92Å; Q74-D78 VanDerWaalsContact O-CG 3.28Å; Q74-D78 PolarHBondContact O-N 3.25Å; Y76-D78 VanDerWaalsContact C-N 3.32Å; D78-V80 PolarHBondContact O-N 2.94Å; D78-S81 CarbonylContact O-C 3.54Å; D78-S81 PolarHBondContact O-N 3.07Å; D78-S81 VanDerWaalsContact O-N 3.17Å; D78-A82 WeakPolarHBondContact O-CB 3.47Å; D78-A82 PolarHBondContact O-N 3.35Å
79R97.4Very high94.3Very high84 Ų8449 Ų4932%0.31726%0.255SS..Hα-helixtrans-60.4-44.6175.7-168.1-179.6-64.7176.92112.4F23 E28 K75 Y76 A82F23-R79 HydrophobicContact CE1-CG 4.34Å; F23-R79 HydrophobicContact CE2-CG 4.16Å; F23-R79 HydrophobicContact CZ-CB 4.27Å; F23-R79 HydrophobicContact CZ-CG 3.62Å; E28-R79 VanDerWaalsContact CD-NH1 3.31Å; E28-R79 IonicContact OE1-CZ 2.75Å; E28-R79 VanDerWaalsContact OE1-CZ 3.28Å; E28-R79 IonicContact OE1-NH1 3.79Å; E28-R79 PolarHBondContact OE1-NH1 3.14Å; E28-R79 IonicContact OE1-NH2 2.86Å; E28-R79 PolarHBondContact OE1-NH2 2.89Å; E28-R79 IonicContact OE2-CZ 3.74Å; E28-R79 IonicContact OE2-NH1 3.85Å; E28-R79 PolarHBondContact OE2-NH1 3.39Å; E28-R79 IonicContact OE2-NH2 2.88Å; K75-R79 WeakPolarHBondContact O-CB 3.29Å; K75-R79 PolarHBondContact O-N 2.92Å; K75-R79 VanDerWaalsContact O-N 3.1Å; Y76-R79 PolarHBondContact O-N 3Å; R79-A82 WeakPolarHBondContact O-CB 3.39Å; R79-A82 PolarHBondContact O-N 2.85Å
80V97.1Very high93.4Very high0 Ų055.1 Ų55.10%029%0.287CS..Hα-helixtrans-65.7-39.4174170.30000111.1F23 Y76 D78 A82 L83 L85 F86 A123 L167 I236F23-V80 HydrophobicContact CE1-CG2 4.15Å; F23-V80 HydrophobicContact CZ-CG2 4.02Å; Y76-V80 WeakPolarHBondContact O-CG2 3.48Å; Y76-V80 PolarHBondContact O-N 3.17Å; D78-V80 PolarHBondContact O-N 2.94Å; V80-A82 VanDerWaalsContact C-N 3.27Å; V80-A82 PolarHBondContact O-N 3.49Å; V80-L83 VanDerWaalsContact O-CB 3.31Å; V80-L83 WeakPolarHBondContact O-CB 3.31Å; V80-L83 PolarHBondContact O-N 3.35Å; V80-L83 VanDerWaalsContact O-N 3.14Å; V80-L85 HydrophobicContact CG1-CD1 3.96Å; V80-F86 HydrophobicContact CG1-CE2 3.86Å; V80-F86 HydrophobicContact CG1-CZ 4.08Å; V80-A123 HydrophobicContact CG1-CB 3.55Å; V80-A123 HydrophobicContact CG2-CB 4.44Å; V80-L167 HydrophobicContact CG2-CD1 4.08Å; V80-I236 HydrophobicContact CB-CD1 4.34Å; V80-I236 HydrophobicContact CB-CG2 4.2Å; V80-I236 HydrophobicContact CG1-CB 4.47Å; V80-I236 HydrophobicContact CG1-CG2 4.04Å; V80-I236 HydrophobicContact CG2-CD1 3.66Å
81S95.6Very high92.8Very high15 Ų1556.1 Ų56.111%0.10530%0.295CS..Hα-helixtrans-65.8-31.1177.3-58.50000112.2M77 D78 L83 C84 A95M77-S81 WeakPolarHBondContact O-CB 3.48Å; M77-S81 PolarHBondContact O-N 3.1Å; M77-S81 PolarHBondContact O-OG 3.21Å; D78-S81 CarbonylContact O-C 3.54Å; D78-S81 PolarHBondContact O-N 3.07Å; D78-S81 VanDerWaalsContact O-N 3.17Å; S81-L83 PolarHBondContact O-N 2.84Å; S81-C84 WeakPolarHBondContact O-CA 3.38Å; S81-C84 PolarHBondContact O-N 3.46Å; S81-A95 PolarHBondContact OG-N 2.85Å
82A94.3Very high92.4Very high77 Ų7753.6 Ų53.664%0.63629%0.287SS*.THydrogen-bonded Turntrans-66.9-16.3175.200000113.6D78 R79 V80 C84D78-A82 WeakPolarHBondContact O-CB 3.47Å; D78-A82 PolarHBondContact O-N 3.35Å; R79-A82 WeakPolarHBondContact O-CB 3.39Å; R79-A82 PolarHBondContact O-N 2.85Å; V80-A82 VanDerWaalsContact C-N 3.27Å; V80-A82 PolarHBondContact O-N 3.49Å; A82-C84 PolarHBondContact O-N 3.36Å
83L93.8Very high92.2Very high39 Ų3953.7 Ų53.720%0.20429%0.29CS..THydrogen-bonded Turntrans-76.10.3168.5-57.6177.8000112.5L5 L20 F23 V80 S81 L85 L167 I169L5-L83 HydrophobicContact CD1-CB 4.41Å; L5-L83 HydrophobicContact CD2-CD2 4.34Å; L20-L83 HydrophobicContact CD2-CD1 4.45Å; F23-L83 HydrophobicContact CE2-CD1 4.07Å; F23-L83 HydrophobicContact CZ-CD1 4.47Å; V80-L83 VanDerWaalsContact O-CB 3.31Å; V80-L83 WeakPolarHBondContact O-CB 3.31Å; V80-L83 PolarHBondContact O-N 3.35Å; V80-L83 VanDerWaalsContact O-N 3.14Å; S81-L83 PolarHBondContact O-N 2.84Å; L83-L85 HydrophobicContact CB-CD1 4.21Å; L83-L85 HydrophobicContact CB-CD2 4.18Å; L83-L85 HydrophobicContact CB-CG 3.78Å; L83-L85 HydrophobicContact CD1-CD1 4.18Å; L83-L85 PolarHBondContact O-N 3.25Å; L83-L85 VanDerWaalsContact O-N 3.11Å; L83-L167 HydrophobicContact CD1-CD2 3.62Å; L83-I169 HydrophobicContact CD1-CD1 4.39Å
84C92.8Very high92Very high63 Ų6359.2 Ų59.243%0.42631%0.314SS..THydrogen-bonded Turntrans57.422.4179.6-58.80000114.5M1 S81 A82 F86 D87M1-C84 WeakPolarHBondContact CG-O 3.35Å; S81-C84 WeakPolarHBondContact O-CA 3.38Å; S81-C84 PolarHBondContact O-N 3.46Å; A82-C84 PolarHBondContact O-N 3.36Å; C84-F86 VanDerWaalsContact C-N 3.26Å; C84-F86 PolarHBondContact O-N 2.79Å; C84-D87 HydrophobicContact CB-CB 4.45Å; C84-D87 PolarHBondContact O-N 3.08Å
85L92.1Very high92Very high3 Ų356.7 Ų56.72%0.01630%0.304CS..THydrogen-bonded Turntrans-62.2-30.5-174.1-61.8178.6000114.1L2 L5 V80 L83 V121 A123 I169L2-L85 HydrophobicContact CD2-CD2 3.96Å; L5-L85 HydrophobicContact CD1-CD2 3.85Å; V80-L85 HydrophobicContact CG1-CD1 3.96Å; L83-L85 HydrophobicContact CB-CD1 4.21Å; L83-L85 HydrophobicContact CB-CD2 4.18Å; L83-L85 HydrophobicContact CB-CG 3.78Å; L83-L85 HydrophobicContact CD1-CD1 4.18Å; L83-L85 PolarHBondContact O-N 3.25Å; L83-L85 VanDerWaalsContact O-N 3.11Å; L85-V121 HydrophobicContact CB-CG1 4.02Å; L85-A123 HydrophobicContact CD1-CB 3.96Å; L85-I169 HydrophobicContact CD1-CD1 3.65Å; L85-I169 HydrophobicContact CD1-CG1 3.89Å; L85-I169 HydrophobicContact CD1-CG2 4.26Å; L85-I169 HydrophobicContact CD2-CD1 3.9Å; L85-I169 HydrophobicContact CD2-CG2 4.38Å; L85-I169 HydrophobicContact CG-CD1 4.42Å
86F92.6Very high92Very high1 Ų155.4 Ų55.40%0.00430%0.3CS..THydrogen-bonded Turntrans-98.1-6.7-177.7-48.8-61.5000112.6V80 C84 K88 N93 A95 Y119 V121 Y238V80-F86 HydrophobicContact CG1-CE2 3.86Å; V80-F86 HydrophobicContact CG1-CZ 4.08Å; C84-F86 VanDerWaalsContact C-N 3.26Å; C84-F86 PolarHBondContact O-N 2.79Å; F86-K88 PolarHBondContact O-N 3.09Å; F86-N93 HydrophobicContact CB-CB 4.17Å; F86-N93 WeakPolarHBondContact O-CB 3.32Å; F86-A95 HydrophobicContact CD2-CB 4.28Å; F86-A95 HydrophobicContact CE2-CB 3.72Å; F86-A95 HydrophobicContact CZ-CB 4.43Å; F86-Y119 AromaticContact CD1-CD1 3.97Å; F86-Y119 HydrophobicContact CD1-CD1 3.97Å; F86-V121 HydrophobicContact CD1-CB 4.3Å; F86-V121 HydrophobicContact CE1-CB 4.16Å; F86-V121 HydrophobicContact CE1-CG1 4.21Å; F86-Y238 HydrophobicContact CB-CD1 4.3Å; F86-Y238 HydrophobicContact CB-CG 4.32Å
87D85.9Confident91.9Very high33 Ų3355.4 Ų55.418%0.17630%0.3CS..  trans-95.865.3-166.6-16813000113.3M1 C84 N89 N90 S91 N92M1-D87 WeakPolarHBondContact CE-O 3.43Å; C84-D87 HydrophobicContact CB-CB 4.45Å; C84-D87 PolarHBondContact O-N 3.08Å; D87-N89 PolarHBondContact O-N 2.84Å; D87-N90 VanDerWaalsContact OD1-CA 3.26Å; D87-N90 WeakPolarHBondContact OD1-CA 3.21Å; D87-S91 WeakPolarHBondContact OD1-CA 3.4Å; D87-S91 PolarHBondContact OD1-N 3.11Å; D87-S91 PolarHBondContact OD1-OG 2.94Å; D87-N92 PolarHBondContact OD1-N 3.34Å
88K79.8Confident91.9Very high111 Ų11155.3 Ų55.348%0.48330%0.3SS..G310 helixtrans-76.1125176.9-167.8169.3-179.5175.10111.2M1 F86 N90 S91 Y119M1-K88 HydrophobicContact CE-CB 3.54Å; M1-K88 HydrophobicContact CE-CG 4.02Å; M1-K88 VanDerWaalsContact CE-N 3.33Å; F86-K88 PolarHBondContact O-N 3.09Å; K88-N90 VanDerWaalsContact C-N 3.34Å; K88-S91 PolarHBondContact N-OG 3.23Å; K88-S91 WeakPolarHBondContact O-CB 3.27Å; K88-S91 PolarHBondContact O-OG 3.46Å; K88-Y119 WeakPolarHBondContact CB-OH 3.33Å; K88-Y119 WeakPolarHBondContact CD-OH 2.92Å
89N80.4Confident92Very high143 Ų14353 Ų5377%0.76529%0.287SS*.G310 helixtrans61.937.6179.8-51.4-31.4000113.1D87 S91D87-N89 PolarHBondContact O-N 2.84Å; N89-S91 PolarHBondContact O-N 2.84Å
90N78.9Confident92Very high147 Ų14749 Ų4979%0.78627%0.272SS*.G310 helixtrans5732.3179-53.1-39.3000113.5D87 K88 N92D87-N90 VanDerWaalsContact OD1-CA 3.26Å; D87-N90 WeakPolarHBondContact OD1-CA 3.21Å; K88-N90 VanDerWaalsContact C-N 3.34Å; N90-N92 PolarHBondContact O-N 2.99Å
91S84.1Confident92.1Very high51 Ų5149.6 Ų49.636%0.35728%0.275SS..  trans-57.1-14.9169.959.20000115.4D87 K88 N89 N93D87-S91 WeakPolarHBondContact OD1-CA 3.4Å; D87-S91 PolarHBondContact OD1-N 3.11Å; D87-S91 PolarHBondContact OD1-OG 2.94Å; K88-S91 PolarHBondContact N-OG 3.23Å; K88-S91 WeakPolarHBondContact O-CB 3.27Å; K88-S91 PolarHBondContact O-OG 3.46Å; N89-S91 PolarHBondContact O-N 2.84Å; S91-N93 WeakPolarHBondContact CB-ND2 3.41Å; S91-N93 PolarHBondContact O-N 2.78Å; S91-N93 PolarHBondContact OG-ND2 3.05Å
92N89Confident92.2Very high117 Ų11749.1 Ų49.163%0.62627%0.271SS*.  trans53.928.9-172.4-16628.6000113.2D87 N90D87-N92 PolarHBondContact OD1-N 3.34Å; N90-N92 PolarHBondContact O-N 2.99Å
93N93.2Very high92.4Very high42 Ų4246.2 Ų46.223%0.22524%0.244CC..  trans-69.8137.9176.9-72.9-26.7000110.5F86 S91 Y238F86-N93 HydrophobicContact CB-CB 4.17Å; F86-N93 WeakPolarHBondContact O-CB 3.32Å; S91-N93 WeakPolarHBondContact CB-ND2 3.41Å; S91-N93 PolarHBondContact O-N 2.78Å; S91-N93 PolarHBondContact OG-ND2 3.05Å; N93-Y238 HydrophobicContact CB-CD1 4.01Å; N93-Y238 HydrophobicContact CB-CE1 3.74Å; N93-Y238 HydrophobicContact CB-CE2 4.31Å; N93-Y238 HydrophobicContact CB-CG 4.46Å; N93-Y238 VanDerWaalsContact CG-CZ 3.44Å; N93-Y238 VanDerWaalsContact ND2-CE1 3.33Å; N93-Y238 WeakPolarHBondContact ND2-CE1 3.49Å; N93-Y238 PolarHBondContact OD1-OH 3.06Å
94K95.4Very high92.6Very high116 Ų11648.1 Ų48.150%0.50425%0.252SS..  trans-128154.6179.4-62.8-172.8178.6-174.50110.3N96 Y238K94-N96 PolarHBondContact O-N 2.97Å; K94-Y238 WeakPolarHBondContact O-CD2 3.42Å
95A97.3Very high92.9Very high7 Ų747.6 Ų47.66%0.05825%0.249CC..  trans-52.3137.3171.300000110.5M77 S81 F86 I236 R237M77-A95 HydrophobicContact CB-CB 4.12Å; M77-A95 VanDerWaalsContact CE-C 3.42Å; M77-A95 HydrophobicContact CE-CB 3.98Å; M77-A95 VanDerWaalsContact CE-O 3.25Å; M77-A95 WeakPolarHBondContact CE-O 3.28Å; S81-A95 PolarHBondContact OG-N 2.85Å; F86-A95 HydrophobicContact CD2-CB 4.28Å; F86-A95 HydrophobicContact CE2-CB 3.72Å; F86-A95 HydrophobicContact CZ-CB 4.43Å; A95-I236 HydrophobicContact CB-CG2 3.36Å; A95-R237 WeakPolarHBondContact CA-O 3.17Å
96N97.1Very high93.1Very high37 Ų3748.7 Ų48.720%0.19826%0.261CS..  trans-138.21.5179.9649.8000112.9M77 K94 R237 Y238 V239 V242M77-N96 VanDerWaalsContact CE-CA 3.46Å; K94-N96 PolarHBondContact O-N 2.97Å; N96-R237 PolarHBondContact N-O 3.04Å; N96-Y238 WeakPolarHBondContact ND2-CD2 3.35Å; N96-V239 PolarHBondContact ND2-O 3.28Å; N96-V239 PolarHBondContact OD1-N 3.28Å; N96-V242 WeakPolarHBondContact ND2-CG2 3.49Å
97H98Very high93.4Very high0 Ų051.5 Ų51.50%027%0.274CS..EExtended strand (participates in β ladder)trans-140.2140-177.4-172.6-109.1000110.9N54 W55 G57 P59 M64 L99 Y118 R237 V239N54-H97 PolarHBondContact OD1-NE2 2.91Å; W55-H97 PolarHBondContact O-CD2 2.89Å; W55-H97 VanDerWaalsContact O-CD2 3.31Å; G57-H97 PolarHBondContact O-CD2 3.46Å; G57-H97 PolarHBondContact O-NE2 2.92Å; P59-H97 WeakPolarHBondContact CD-NE2 3.39Å; M64-H97 HydrophobicContact CE-CB 4.45Å; M64-H97 HydrophobicContact SD-CB 4.36Å; H97-L99 VanDerWaalsContact CE1-CD2 3.4Å; H97-L99 WeakPolarHBondContact CE1-CD2 3.16Å; H97-Y118 AromaticContact ND1-CE1 3.53Å; H97-R237 PolarHBondContact N-O 2.79Å; H97-R237 VanDerWaalsContact N-O 3.16Å; H97-R237 PolarHBondContact O-N 2.81Å; H97-V239 HydrophobicContact CB-CG2 3.79Å
98V98.5Very high93.9Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-136.8134.4174.4-177.40000111.2W55 L73 M77 V100 V234 T235 I236W55-V98 HydrophobicContact CB-CB 4.26Å; W55-V98 PolarHBondContact N-O 2.74Å; W55-V98 PolarHBondContact O-N 2.79Å; L73-V98 HydrophobicContact CD1-CG1 4.2Å; L73-V98 HydrophobicContact CD1-CG2 4.47Å; L73-V98 HydrophobicContact CD2-CB 3.94Å; L73-V98 HydrophobicContact CD2-CG1 3.97Å; L73-V98 HydrophobicContact CD2-CG2 4.05Å; L73-V98 HydrophobicContact CG-CG2 4.21Å; M77-V98 HydrophobicContact CE-CG2 4.14Å; M77-V98 HydrophobicContact CG-CG2 3.59Å; M77-V98 HydrophobicContact SD-CG2 3.45Å; M77-V98 WeakPolarHBondContact SD-CG2 3.32Å; V98-V100 HydrophobicContact CG1-CG2 4.32Å; V98-V234 HydrophobicContact CG1-CG1 3.5Å; V98-T235 CarbonylContact C-O 3.51Å; V98-T235 VanDerWaalsContact CA-O 3.24Å; V98-T235 WeakPolarHBondContact CA-O 3.33Å; V98-I236 HydrophobicContact CG1-CG1 4.42Å; V98-I236 HydrophobicContact CG2-CG1 3.97Å
99L97.9Very high94.7Very high27 Ų2745.9 Ų45.914%0.14125%0.249CC..EExtended strand (participates in β ladder)trans-110128.5162.7-64.5-171.4000110.6L52 Q53 N54 H97 T235L52-L99 HydrophobicContact CD1-CB 3.88Å; L52-L99 HydrophobicContact CD1-CD1 4.1Å; L52-L99 HydrophobicContact CD1-CD2 3.94Å; L52-L99 HydrophobicContact CD1-CG 4.17Å; Q53-L99 WeakPolarHBondContact O-CA 3.42Å; N54-L99 HydrophobicContact CB-CD2 3.81Å; H97-L99 VanDerWaalsContact CE1-CD2 3.4Å; H97-L99 WeakPolarHBondContact CE1-CD2 3.16Å; L99-T235 PolarHBondContact N-O 2.91Å; L99-T235 WeakPolarHBondContact O-CB 3.35Å; L99-T235 PolarHBondContact O-N 3.41Å
100V98.6Very high95.4Very high0 Ų045.6 Ų45.60%024%0.241CC..EExtended strand (participates in β ladder)trans-101.5119169.2-176.60000107.8I36 L52 Q53 V98 V232 S233 V234I36-V100 HydrophobicContact CD1-CG1 3.91Å; I36-V100 HydrophobicContact CG1-CG1 4.18Å; I36-V100 HydrophobicContact CG1-CG2 4.46Å; I36-V100 HydrophobicContact CG2-CG1 3.82Å; L52-V100 CarbonylContact C-O 3.47Å; L52-V100 VanDerWaalsContact CA-O 3.27Å; L52-V100 WeakPolarHBondContact CA-O 3.48Å; Q53-V100 HydrophobicContact CB-CB 4.06Å; Q53-V100 HydrophobicContact CG-CB 4.31Å; Q53-V100 PolarHBondContact N-O 3.25Å; Q53-V100 PolarHBondContact O-N 2.83Å; V98-V100 HydrophobicContact CG1-CG2 4.32Å; V100-V232 HydrophobicContact CG1-CG1 3.68Å; V100-S233 CarbonylContact C-O 3.55Å; V100-S233 WeakPolarHBondContact CA-O 3.18Å; V100-V234 HydrophobicContact CG2-CG1 4.46Å; V100-V234 HydrophobicContact CG2-CG2 4.3Å
101N98.5Very high96.1Very high13 Ų1339.2 Ų39.27%0.0721%0.208CC..EExtended strand (participates in β ladder)trans-109.9139.9174-62.5-89.9000109.6R50 R51 Y103 V232 S233R50-N101 WeakPolarHBondContact CD-OD1 3.34Å; R50-N101 PolarHBondContact NE-OD1 3.11Å; R51-N101 WeakPolarHBondContact O-CA 3.41Å; N101-Y103 HydrophobicContact CB-CD2 4.31Å; N101-Y103 HydrophobicContact CB-CE2 3.45Å; N101-Y103 VanDerWaalsContact CB-CE2 3.45Å; N101-V232 CarbonylContact O-C 3.45Å; N101-V232 VanDerWaalsContact O-CA 3.31Å; N101-V232 WeakPolarHBondContact O-CA 3.37Å; N101-S233 PolarHBondContact N-O 2.75Å; N101-S233 PolarHBondContact O-N 2.92Å
102E98.5Very high96.6Very high5 Ų539.2 Ų39.22%0.02320%0.202CC..EExtended strand (participates in β ladder)trans-119.4133.1170.1177.1-178140.900110.1Y37 W44 R50 R51 K230 R231 V232Y37-E102 WeakPolarHBondContact CE1-OE2 3.49Å; W44-E102 HydrophobicContact CH2-CB 4.26Å; W44-E102 WeakPolarHBondContact CH2-OE2 3.46Å; W44-E102 HydrophobicContact CZ3-CB 4.14Å; R50-E102 WeakPolarHBondContact CA-O 3.4Å; R50-E102 VanDerWaalsContact CB-O 3.3Å; R50-E102 WeakPolarHBondContact CB-O 3.25Å; R51-E102 HydrophobicContact CG-CB 3.88Å; R51-E102 HydrophobicContact CG-CG 4.49Å; R51-E102 IonicContact CZ-OE1 3.87Å; R51-E102 IonicContact CZ-OE2 3.01Å; R51-E102 PolarHBondContact N-O 3.33Å; R51-E102 VanDerWaalsContact N-O 3.1Å; R51-E102 IonicContact NE-OE1 3.19Å; R51-E102 PolarHBondContact NE-OE1 2.94Å; R51-E102 IonicContact NE-OE2 2.66Å; R51-E102 PolarHBondContact NE-OE2 2.86Å; R51-E102 VanDerWaalsContact NH2-CD 3.25Å; R51-E102 IonicContact NH2-OE1 3.97Å; R51-E102 PolarHBondContact NH2-OE1 2.71Å; R51-E102 IonicContact NH2-OE2 3.28Å; R51-E102 PolarHBondContact NH2-OE2 3.05Å; R51-E102 PolarHBondContact O-N 3.28Å; E102-K230 HydrophobicContact CG-CD 4.19Å; E102-K230 HydrophobicContact CG-CG 4.04Å; E102-K230 IonicContact OE1-NZ 2.67Å; E102-K230 PolarHBondContact OE1-NZ 3.26Å; E102-R231 WeakPolarHBondContact CA-O 3.39Å; E102-V232 HydrophobicContact CB-CG2 4.24Å; E102-V232 HydrophobicContact CG-CG2 4.16Å
103Y98.5Very high96.9Very high15 Ų1537.3 Ų37.36%0.05919%0.189CC..EExtended strand (participates in β ladder)trans-124.5127.6178.7-56.5-94.3000109R50 N101 Q107 I109 I182 K230 R231R50-Y103 HydrophobicContact CB-CD1 3.72Å; R50-Y103 HydrophobicContact CB-CE1 3.65Å; R50-Y103 HydrophobicContact CB-CG 4.39Å; R50-Y103 VanDerWaalsContact CD-CE1 3.42Å; R50-Y103 VanDerWaalsContact CD-CZ 3.48Å; R50-Y103 VanDerWaalsContact CD-OH 3.26Å; R50-Y103 WeakPolarHBondContact CD-OH 3.44Å; R50-Y103 HydrophobicContact CG-CE1 4.15Å; N101-Y103 HydrophobicContact CB-CD2 4.31Å; N101-Y103 HydrophobicContact CB-CE2 3.45Å; N101-Y103 VanDerWaalsContact CB-CE2 3.45Å; Y103-Q107 HydrophobicContact CD1-CB 4.38Å; Y103-I109 HydrophobicContact CE1-CB 4.48Å; Y103-I182 HydrophobicContact CE1-CD1 4.26Å; Y103-I182 HydrophobicContact CE2-CD1 4.09Å; Y103-K230 CarbonylContact O-C 3.46Å; Y103-K230 WeakPolarHBondContact O-CA 3.4Å; Y103-R231 PolarHBondContact N-O 2.86Å; Y103-R231 PolarHBondContact O-N 3.02Å
104E98.3Very high96.9Very high79 Ų7937 Ų3737%0.36919%0.188SC..  trans-75.8172.1164.6-63.2-66.7-179.600111.5G106 Q107 K230E104-G106 PolarHBondContact O-N 3.21Å; E104-Q107 HydrophobicContact CB-CG 4.19Å; E104-Q107 VanDerWaalsContact O-CB 3.3Å; E104-Q107 WeakPolarHBondContact O-CB 3.44Å; E104-Q107 PolarHBondContact O-N 3.23Å; E104-Q107 VanDerWaalsContact O-N 3.13Å; E104-K230 VanDerWaalsContact CD-CE 3.49Å; E104-K230 WeakPolarHBondContact OE1-CE 3.38Å; E104-K230 IonicContact OE1-NZ 3.78Å; E104-K230 PolarHBondContact OE1-NZ 3.2Å; E104-K230 VanDerWaalsContact OE2-CE 3.25Å; E104-K230 WeakPolarHBondContact OE2-CE 3.37Å; E104-K230 IonicContact OE2-NZ 3.78Å
105S97.6Very high96.6Very high53 Ų5332.9 Ų32.937%0.37118%0.178SC..THydrogen-bonded Turntrans-62.5134.3169.8-162.60000110.2Q107 T186 R228S105-Q107 VanDerWaalsContact C-N 3.29Å; S105-T186 WeakPolarHBondContact OG-CA 3.34Å; S105-R228 WeakPolarHBondContact CB-O 3.47Å; S105-R228 PolarHBondContact OG-O 2.67Å
106G97.3Very high96.3Very high26 Ų2638.6 Ų38.627%0.26822%0.215SC..THydrogen-bonded Turntrans86.8-10.7-17400000114.7E104 E184 R185E104-G106 PolarHBondContact O-N 3.21Å; G106-E184 CarbonylContact O-C 3.52Å; G106-E184 WeakPolarHBondContact O-CA 3.38Å; G106-E184 WeakPolarHBondContact O-CB 3.46Å; G106-R185 VanDerWaalsContact CA-O 3.27Å; G106-R185 WeakPolarHBondContact CA-O 3.34Å; G106-R185 PolarHBondContact N-O 3.17Å; G106-R185 VanDerWaalsContact N-O 3.08Å
107Q97.9Very high96.1Very high60 Ų6039.6 Ų39.628%0.2822%0.22SC..  trans-87.5160.3177.6-82.6-175-1.600112.6G49 Y103 E104 S105G49-Q107 WeakPolarHBondContact O-CB 3.27Å; G49-Q107 VanDerWaalsContact O-CG 3.3Å; G49-Q107 WeakPolarHBondContact O-CG 3.37Å; G49-Q107 PolarHBondContact O-OE1 3.28Å; Y103-Q107 HydrophobicContact CD1-CB 4.38Å; E104-Q107 HydrophobicContact CB-CG 4.19Å; E104-Q107 VanDerWaalsContact O-CB 3.3Å; E104-Q107 WeakPolarHBondContact O-CB 3.44Å; E104-Q107 PolarHBondContact O-N 3.23Å; E104-Q107 VanDerWaalsContact O-N 3.13Å; S105-Q107 VanDerWaalsContact C-N 3.29Å
108G97.3Very high96Very high0 Ų041.1 Ų41.10%023%0.226CC..  trans-172-173.1-171.500000114G49 I182G49-G108 PolarHBondContact O-N 3.17Å; G108-I182 CarbonylContact C-O 3.57Å; G108-I182 WeakPolarHBondContact CA-O 3.28Å
109I96.8Very high95.8Very high25 Ų2542.9 Ų42.913%0.12823%0.233CC..EExtended strand (participates in β ladder)trans-143.6127.6173.4-171.7172.2000108.3R50 Y103 H112 G181 I182R50-I109 VanDerWaalsContact NH1-CD1 3.31Å; R50-I109 VanDerWaalsContact NH2-CD1 3.35Å; Y103-I109 HydrophobicContact CE1-CB 4.48Å; I109-H112 WeakPolarHBondContact CD1-CE1 3.47Å; I109-G181 WeakPolarHBondContact O-CA 3.36Å; I109-I182 HydrophobicContact CG2-CB 4.07Å; I109-I182 HydrophobicContact CG2-CD1 4.19Å; I109-I182 HydrophobicContact CG2-CG1 4.01Å; I109-I182 PolarHBondContact N-O 3.15Å; I109-I182 PolarHBondContact O-N 2.75Å
110F93.9Very high95.6Very high138 Ų13843.7 Ų43.761%0.60524%0.239SC*.EExtended strand (participates in β ladder)trans-59.1152179.9-174.4-97.9000111.6H112 F152F110-H112 PolarHBondContact O-N 2.89Å; F110-H112 PolarHBondContact O-ND1 3.35Å; F110-F152 HydrophobicContact CD1-CZ 4.41Å; F110-F152 HydrophobicContact CE1-CE1 4.27Å; F110-F152 AromaticContact CE1-CE2 3.85Å; F110-F152 HydrophobicContact CE1-CE2 3.85Å; F110-F152 AromaticContact CE1-CZ 3.37Å; F110-F152 HydrophobicContact CE1-CZ 3.37Å; F110-F152 HydrophobicContact CE2-CD2 4.08Å; F110-F152 AromaticContact CE2-CE2 3.38Å; F110-F152 HydrophobicContact CE2-CE2 3.38Å; F110-F152 AromaticContact CE2-CZ 3.8Å; F110-F152 HydrophobicContact CE2-CZ 3.8Å; F110-F152 HydrophobicContact CZ-CD2 4.09Å; F110-F152 HydrophobicContact CZ-CE1 4.19Å; F110-F152 AromaticContact CZ-CE2 2.99Å; F110-F152 HydrophobicContact CZ-CE2 2.99Å; F110-F152 AromaticContact CZ-CZ 3.04Å; F110-F152 HydrophobicContact CZ-CZ 3.04Å
111P95.1Very high95.5Very high13 Ų1344.1 Ų44.18%0.08424%0.242CC..EExtended strand (participates in β ladder)trans-52.3126176.5-3038.9000112.5Y136 F152 M179 H180P111-Y136 HydrophobicContact CB-CD2 3.71Å; P111-Y136 HydrophobicContact CB-CE2 3.92Å; P111-Y136 HydrophobicContact CB-CG 4.37Å; P111-Y136 HydrophobicContact CG-CD2 3.66Å; P111-Y136 HydrophobicContact CG-CE1 4.47Å; P111-Y136 HydrophobicContact CG-CE2 3.35Å; P111-Y136 HydrophobicContact CG-CG 4.35Å; P111-F152 HydrophobicContact CB-CD1 3.91Å; P111-F152 HydrophobicContact CB-CE1 3.57Å; P111-F152 HydrophobicContact CB-CZ 4.37Å; P111-F152 HydrophobicContact CG-CD1 3.69Å; P111-F152 HydrophobicContact CG-CE1 3.76Å; P111-F152 HydrophobicContact CG-CG 4.28Å; P111-F152 HydrophobicContact CG-CZ 4.44Å; P111-M179 HydrophobicContact CB-CB 4.2Å; P111-M179 HydrophobicContact CB-CE 4.25Å; P111-M179 WeakPolarHBondContact O-CE 3.48Å; P111-H180 CarbonylContact C-O 3.53Å; P111-H180 VanDerWaalsContact CA-O 3.28Å; P111-H180 WeakPolarHBondContact CA-O 3.44Å
112H94.9Very high95.4Very high51 Ų5143.9 Ų43.924%0.23624%0.241CC..EExtended strand (participates in β ladder)trans-151.7173.2-174.864.2-66000111.8I109 F110 M179 H180I109-H112 WeakPolarHBondContact CD1-CE1 3.47Å; F110-H112 PolarHBondContact O-N 2.89Å; F110-H112 PolarHBondContact O-ND1 3.35Å; H112-M179 WeakPolarHBondContact O-CA 3.45Å; H112-H180 AromaticContact CE1-CD2 3.81Å; H112-H180 AromaticContact CE1-NE2 3.58Å; H112-H180 PolarHBondContact CE1-O 3.41Å; H112-H180 PolarHBondContact N-O 2.88Å; H112-H180 PolarHBondContact ND1-O 3.03Å; H112-H180 AromaticContact NE2-NE2 3.55Å; H112-H180 PolarHBondContact O-N 2.87Å; H112-H180 PolarHBondContact O-ND1 3.49Å
113H95.2Very high95.4Very high77 Ų7743.7 Ų43.736%0.35624%0.24SC..  trans-106.9150.5164.2-59.398.1000109.5G115 H177 Y178 M179H113-G115 PolarHBondContact O-N 3.11Å; H113-H177 PolarHBondContact NE2-O 2.87Å; H113-Y178 PolarHBondContact CD2-O 3.34Å; H113-Y178 VanDerWaalsContact CD2-O 3.31Å; H113-Y178 PolarHBondContact NE2-O 3.13Å; H113-M179 VanDerWaalsContact CE1-CG 3.48Å; H113-M179 WeakPolarHBondContact CE1-CG 3.44Å
114D93.2Very high95.4Very high35 Ų3543.5 Ų43.519%0.18724%0.241CC..  trans-68.5-19.5177.6-99.310.8000113.7Y118 Y175 H180 R237D114-Y118 HydrophobicContact CB-CD2 4.45Å; D114-Y175 HydrophobicContact CB-CE1 4.47Å; D114-Y175 HydrophobicContact CB-CE2 3.89Å; D114-Y175 WeakPolarHBondContact CB-OH 3.29Å; D114-Y175 WeakPolarHBondContact OD2-CE2 3.48Å; D114-Y175 PolarHBondContact OD2-OH 2.85Å; D114-H180 IonicContact OD1-CE1 3.69Å; D114-H180 IonicContact OD1-NE2 3.29Å; D114-R237 VanDerWaalsContact CG-NH1 3.27Å; D114-R237 IonicContact OD1-NH1 3.97Å; D114-R237 IonicContact OD2-CZ 3.73Å; D114-R237 IonicContact OD2-NH1 2.85Å; D114-R237 PolarHBondContact OD2-NH1 2.94Å
115G87.6Confident95.5Very high30 Ų3039.8 Ų39.831%0.30922%0.223SC..  trans89.5169.6-175.600000114H113 L117H113-G115 PolarHBondContact O-N 3.11Å; G115-L117 VanDerWaalsContact C-N 3.34Å; G115-L117 PolarHBondContact O-N 2.86Å
116P91.4Very high95.5Very high127 Ų12737.2 Ų37.283%0.82521%0.206SC*.THydrogen-bonded Turntrans-85.10-165.734.3-37.9000114.7Y118P116-Y118 VanDerWaalsContact C-N 3.31Å; P116-Y118 PolarHBondContact O-N 3.44Å
117L93.8Very high95.6Very high58 Ų5836 Ų3630%0.30419%0.193SC..THydrogen-bonded Turntrans-76.2-19.9-172.9-59.5-177000113.5P59 V61 G115 P240P59-L117 HydrophobicContact CB-CD1 4.07Å; V61-L117 HydrophobicContact CG1-CD2 4.36Å; G115-L117 VanDerWaalsContact C-N 3.34Å; G115-L117 PolarHBondContact O-N 2.86Å; L117-P240 WeakPolarHBondContact O-CD 3.07Å
118Y94.6Very high95.6Very high32 Ų3237 Ų3713%0.12520%0.2CC..SBendtrans-98.6153.1-177.2-55.9-75.6000110.6P59 H97 D114 P116 Y175 R237 V239P59-Y118 HydrophobicContact CB-CE1 4.3Å; P59-Y118 HydrophobicContact CG-CE1 3.79Å; P59-Y118 WeakPolarHBondContact CG-OH 3.43Å; H97-Y118 AromaticContact ND1-CE1 3.53Å; D114-Y118 HydrophobicContact CB-CD2 4.45Å; P116-Y118 VanDerWaalsContact C-N 3.31Å; P116-Y118 PolarHBondContact O-N 3.44Å; Y118-Y175 WeakPolarHBondContact CB-OH 3.39Å; Y118-R237 HydrophobicContact CD1-CB 3.9Å; Y118-R237 HydrophobicContact CD1-CG 4.46Å; Y118-R237 HydrophobicContact CE1-CB 4.43Å; Y118-R237 VanDerWaalsContact CE2-CZ 3.49Å; Y118-R237 VanDerWaalsContact CE2-NH1 3.34Å; Y118-R237 PolarHBondContact OH-NH2 2.51Å; Y118-V239 HydrophobicContact CD1-CG2 3.64Å; Y118-V239 HydrophobicContact CE1-CG2 3.65Å
119Y94.6Very high95.7Very high36 Ų3638 Ų3814%0.14121%0.207CC..  trans-56.4141.2161.1-171.9-94.7000109.1F86 K88 V121 Y238F86-Y119 AromaticContact CD1-CD1 3.97Å; F86-Y119 HydrophobicContact CD1-CD1 3.97Å; K88-Y119 WeakPolarHBondContact CB-OH 3.33Å; K88-Y119 WeakPolarHBondContact CD-OH 2.92Å; Y119-V121 HydrophobicContact CD1-CB 4.02Å; Y119-V121 HydrophobicContact CD1-CG2 3.81Å; Y119-V121 HydrophobicContact CE1-CB 4.26Å; Y119-V121 HydrophobicContact CE1-CG2 3.57Å; Y119-V121 PolarHBondContact O-N 3.39Å; Y119-Y238 WeakPolarHBondContact CB-O 3.42Å; Y119-Y238 HydrophobicContact CD2-CD1 4.04Å; Y119-Y238 HydrophobicContact CD2-CE1 4.34Å; Y119-Y238 AromaticContact CG-CD1 3.85Å; Y119-Y238 HydrophobicContact CG-CD1 3.85Å; Y119-Y238 PolarHBondContact N-O 2.89Å
120P95.1Very high95.7Very high44 Ų4437.7 Ų37.729%0.28620%0.204SC..SBendtrans-77.449.8-166.733.1-38.5000113.6A171 E172 Y175 T176P120-A171 CarbonylContact O-C 3.5Å; P120-A171 WeakPolarHBondContact O-CA 3.43Å; P120-E172 PolarHBondContact O-N 3.06Å; P120-Y175 HydrophobicContact CB-CD1 3.77Å; P120-Y175 HydrophobicContact CB-CE1 4.29Å; P120-Y175 HydrophobicContact CB-CG 4.47Å; P120-T176 HydrophobicContact CB-CG2 3.76Å
121V95.5Very high95.9Very high9 Ų931.2 Ų31.26%0.05518%0.176CC..EExtended strand (participates in β ladder)trans-147130.3175.9-177.20000108.1L85 F86 Y119 I169 V170 A171L85-V121 HydrophobicContact CB-CG1 4.02Å; F86-V121 HydrophobicContact CD1-CB 4.3Å; F86-V121 HydrophobicContact CE1-CB 4.16Å; F86-V121 HydrophobicContact CE1-CG1 4.21Å; Y119-V121 HydrophobicContact CD1-CB 4.02Å; Y119-V121 HydrophobicContact CD1-CG2 3.81Å; Y119-V121 HydrophobicContact CE1-CB 4.26Å; Y119-V121 HydrophobicContact CE1-CG2 3.57Å; Y119-V121 PolarHBondContact O-N 3.39Å; V121-I169 HydrophobicContact CG1-CG2 3.96Å; V121-V170 WeakPolarHBondContact CA-O 3.32Å; V121-A171 HydrophobicContact CB-CB 4.29Å; V121-A171 HydrophobicContact CG1-CB 4.09Å; V121-A171 HydrophobicContact CG2-CB 3.76Å
122V97.4Very high96Very high9 Ų930.6 Ų30.66%0.05517%0.173CC..EExtended strand (participates in β ladder)trans-123.8138170.862.20000109.9I169 V170 Y175 T235 R237V122-I169 VanDerWaalsContact O-CA 3.29Å; V122-I169 WeakPolarHBondContact O-CA 3.41Å; V122-V170 HydrophobicContact CG1-CB 3.82Å; V122-V170 PolarHBondContact N-O 3.45Å; V122-V170 PolarHBondContact O-N 2.91Å; V122-Y175 HydrophobicContact CB-CD2 4.17Å; V122-Y175 HydrophobicContact CB-CE2 3.84Å; V122-Y175 HydrophobicContact CG1-CD2 3.76Å; V122-Y175 HydrophobicContact CG1-CE2 3.84Å; V122-T235 HydrophobicContact CG2-CG2 3.3Å; V122-R237 HydrophobicContact CB-CG 4.15Å; V122-R237 HydrophobicContact CG2-CG 3.79Å
123A98.3Very high96.2Very high0 Ų029 Ų290%017%0.165CC..EExtended strand (participates in β ladder)trans-124.4125.4176.500000109.1V80 L85 L167 N168 I169 I236V80-A123 HydrophobicContact CG1-CB 3.55Å; V80-A123 HydrophobicContact CG2-CB 4.44Å; L85-A123 HydrophobicContact CD1-CB 3.96Å; A123-L167 HydrophobicContact CB-CD1 4.17Å; A123-N168 CarbonylContact C-O 3.43Å; A123-N168 WeakPolarHBondContact CA-O 3.23Å; A123-I169 HydrophobicContact CB-CG1 4.18Å; A123-I236 PolarHBondContact N-O 3.1Å; A123-I236 PolarHBondContact O-N 3.3Å
124T98.8Very high96.3Very high12 Ų1225.3 Ų25.37%0.07415%0.149CC..EExtended strand (participates in β ladder)trans-126.6120-173.1-62.90000110.9N126 L167 N168 V234 T235T124-N126 PolarHBondContact O-ND2 3.03Å; T124-L167 WeakPolarHBondContact O-CA 3.3Å; T124-N168 WeakPolarHBondContact CB-OD1 3.26Å; T124-N168 PolarHBondContact N-O 3.01Å; T124-N168 PolarHBondContact O-N 3.05Å; T124-N168 PolarHBondContact O-OD1 2.66Å; T124-N168 VanDerWaalsContact O-OD1 3.11Å; T124-V234 WeakPolarHBondContact CA-O 3.5Å; T124-T235 PolarHBondContact OG1-OG1 2.78Å
125I98.8Very high96.4Very high0 Ų023.7 Ų23.70%014%0.14CC..EExtended strand (participates in β ladder)trans-84.8128.5170.8-54.1173.5000107.9F23 I24 Y76 L127 S166 L167 S233 V234 I236F23-I125 HydrophobicContact CD1-CD1 4.15Å; F23-I125 HydrophobicContact CD1-CG1 4.04Å; F23-I125 HydrophobicContact CE1-CD1 3.88Å; F23-I125 HydrophobicContact CE1-CG1 4.07Å; I24-I125 HydrophobicContact CD1-CG2 3.98Å; I24-I125 HydrophobicContact CG1-CG2 4.4Å; I24-I125 HydrophobicContact CG2-CG2 4.38Å; Y76-I125 HydrophobicContact CD1-CD1 4.04Å; Y76-I125 HydrophobicContact CG-CD1 4.18Å; I125-L127 HydrophobicContact CG2-CD2 3.81Å; I125-L127 HydrophobicContact CG2-CG 4.49Å; I125-S166 WeakPolarHBondContact CA-O 3.44Å; I125-L167 HydrophobicContact CG1-CD1 3.62Å; I125-S233 CarbonylContact O-C 3.58Å; I125-S233 WeakPolarHBondContact O-CA 3.43Å; I125-V234 HydrophobicContact CB-CB 4.3Å; I125-V234 PolarHBondContact N-O 3.18Å; I125-V234 PolarHBondContact O-N 3.2Å; I125-I236 HydrophobicContact CD1-CD1 3.94Å; I125-I236 HydrophobicContact CG1-CD1 4.41Å
126N98.8Very high96.8Very high0 Ų023.1 Ų23.10%013%0.128CC..EExtended strand (participates in β ladder)trans-102.4134.1-177.9-62.5-76.2000110.3T124 L162 K163 A164 R165 S166 N168 R231T124-N126 PolarHBondContact O-ND2 3.03Å; N126-L162 HydrophobicContact CB-CB 4.36Å; N126-L162 WeakPolarHBondContact OD1-CD1 3.16Å; N126-K163 WeakPolarHBondContact CB-O 3.08Å; N126-A164 CarbonylContact O-C 3.57Å; N126-R165 WeakPolarHBondContact O-CA 3.46Å; N126-R165 PolarHBondContact O-N 3.34Å; N126-S166 PolarHBondContact N-O 2.82Å; N126-S166 PolarHBondContact ND2-OG 3.29Å; N126-N168 PolarHBondContact ND2-OD1 3.18Å; N126-R231 PolarHBondContact OD1-NH2 3Å
127L98.8Very high96.9Very high0 Ų021 Ų210%011%0.108CC..EExtended strand (participates in β ladder)trans-134.7156.7-171.9-50.2173.9000112I24 E29 L32 L33 I36 I125 S129 V232 V234I24-L127 HydrophobicContact CD1-CD2 3.37Å; E29-L127 HydrophobicContact CG-CD2 4.2Å; E29-L127 WeakPolarHBondContact OE1-CA 3.32Å; L32-L127 HydrophobicContact CD2-CD1 3.7Å; L32-L127 HydrophobicContact CD2-CD2 4.04Å; L32-L127 HydrophobicContact CD2-CG 4.49Å; L32-L127 HydrophobicContact CG-CD1 3.87Å; L33-L127 HydrophobicContact CD2-CB 3.99Å; L33-L127 HydrophobicContact CD2-CD1 4.04Å; L33-L127 HydrophobicContact CG-CB 4.42Å; L33-L127 HydrophobicContact CG-CD1 4.37Å; I36-L127 HydrophobicContact CD1-CD1 3.92Å; I125-L127 HydrophobicContact CG2-CD2 3.81Å; I125-L127 HydrophobicContact CG2-CG 4.49Å; L127-S129 VanDerWaalsContact C-N 3.27Å; L127-S129 PolarHBondContact O-N 3.35Å; L127-V232 HydrophobicContact CB-CB 4.15Å; L127-V232 HydrophobicContact CD1-CB 4.44Å; L127-V232 HydrophobicContact CD1-CG1 4.15Å; L127-V232 PolarHBondContact N-O 2.78Å; L127-V232 PolarHBondContact O-N 3.36Å; L127-V232 VanDerWaalsContact O-N 3.07Å; L127-V234 HydrophobicContact CD1-CG2 3.8Å
128N98.4Very high96.7Very high81 Ų8119.6 Ų19.643%0.43310%0.102SC..SBendtrans67.7-61.9171.7-163.741000114.9E29 L33 K230E29-N128 PolarHBondContact OE1-N 2.96Å; L33-N128 HydrophobicContact CD1-CB 4.05Å; L33-N128 HydrophobicContact CD2-CB 4.28Å; N128-K230 WeakPolarHBondContact CB-O 3.4Å; N128-K230 PolarHBondContact ND2-O 2.88Å
129S98Very high96.3Very high20 Ų2022.5 Ų22.514%0.1412%0.119CC..SBendtrans-126.8163.4175.3-161.60000110.5L127 G229 K230L127-S129 VanDerWaalsContact C-N 3.27Å; L127-S129 PolarHBondContact O-N 3.35Å; S129-G229 WeakPolarHBondContact OG-CA 3.33Å; S129-G229 PolarHBondContact OG-N 2.97Å; S129-K230 WeakPolarHBondContact CB-O 3.21Å; S129-K230 PolarHBondContact N-O 2.96Å
130Y97.9Very high95.2Very high19 Ų1923.5 Ų23.58%0.07513%0.127CC..  trans-69.1162175.778.7-89.7000111.2I132 Y161 L162 D188 C226 R227 R228 R231Y130-I132 HydrophobicContact CD2-CD1 4.03Å; Y130-I132 HydrophobicContact CD2-CG1 4.42Å; Y130-I132 HydrophobicContact CE2-CD1 3.94Å; Y130-I132 HydrophobicContact CE2-CG1 4.04Å; Y130-Y161 VanDerWaalsContact CB-CZ 3.44Å; Y130-Y161 VanDerWaalsContact CB-OH 3.27Å; Y130-Y161 WeakPolarHBondContact CB-OH 3.42Å; Y130-Y161 HydrophobicContact CD1-CE2 4.23Å; Y130-Y161 AromaticContact CD2-CD2 3.91Å; Y130-Y161 HydrophobicContact CD2-CD2 3.91Å; Y130-Y161 AromaticContact CD2-CE2 3.28Å; Y130-Y161 HydrophobicContact CD2-CE2 3.28Å; Y130-Y161 AromaticContact CD2-CZ 3.96Å; Y130-Y161 HydrophobicContact CE2-CD2 4.5Å; Y130-Y161 AromaticContact CE2-CE2 3.93Å; Y130-Y161 HydrophobicContact CE2-CE2 3.93Å; Y130-Y161 HydrophobicContact CG-CD2 4.45Å; Y130-Y161 AromaticContact CG-CE2 3.47Å; Y130-Y161 HydrophobicContact CG-CE2 3.47Å; Y130-Y161 VanDerWaalsContact CG-CE2 3.47Å; Y130-Y161 AromaticContact CG-CZ 3.66Å; Y130-L162 CarbonylContact C-O 3.5Å; Y130-L162 WeakPolarHBondContact CA-O 3.37Å; Y130-L162 WeakPolarHBondContact CB-O 3.38Å; Y130-D188 WeakPolarHBondContact CE2-OD2 3.21Å; Y130-D188 PolarHBondContact OH-OD2 3.36Å; Y130-C226 HydrophobicContact CE1-CB 3.72Å; Y130-C226 HydrophobicContact CE2-CB 4.47Å; Y130-C226 VanDerWaalsContact OH-C 3.26Å; Y130-C226 VanDerWaalsContact OH-CB 3.31Å; Y130-C226 WeakPolarHBondContact OH-CB 3.31Å; Y130-C226 PolarHBondContact OH-O 2.86Å; Y130-R227 WeakPolarHBondContact CE1-O 3.36Å; Y130-R228 HydrophobicContact CE1-CG 4.45Å; Y130-R228 HydrophobicContact CE2-CG 4.18Å; Y130-R228 WeakPolarHBondContact OH-CG 3.47Å; Y130-R231 WeakPolarHBondContact O-CD 3.49Å
131G97.5Very high93.5Very high2 Ų228.2 Ų28.22%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-133.7162166.400000111.5L162G131-L162 PolarHBondContact N-O 2.9Å; G131-L162 WeakPolarHBondContact O-CB 3.28Å; G131-L162 PolarHBondContact O-N 3.39Å
132I97.9Very high91.7Very high1 Ų133 Ų331%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-112.6124168.7-54.2-55.8000107.2Y130 D134 S159 Y161 D188 L190 A208 I210Y130-I132 HydrophobicContact CD2-CD1 4.03Å; Y130-I132 HydrophobicContact CD2-CG1 4.42Å; Y130-I132 HydrophobicContact CE2-CD1 3.94Å; Y130-I132 HydrophobicContact CE2-CG1 4.04Å; I132-D134 WeakPolarHBondContact CG2-OD1 3.46Å; I132-S159 VanDerWaalsContact CG2-CB 3.46Å; I132-Y161 HydrophobicContact CD1-CD2 3.59Å; I132-Y161 HydrophobicContact CD1-CE2 4.37Å; I132-Y161 HydrophobicContact CD1-CG 4.4Å; I132-D188 HydrophobicContact CG1-CB 4.26Å; I132-D188 WeakPolarHBondContact CG1-OD2 3.32Å; I132-L190 HydrophobicContact CD1-CD2 3.63Å; I132-L190 HydrophobicContact CG1-CD2 4.46Å; I132-A208 HydrophobicContact CG1-CB 4.39Å; I132-A208 HydrophobicContact CG2-CB 3.8Å; I132-I210 HydrophobicContact CD1-CD1 4Å
133L98.1Very high89.8Confident16 Ų1634.2 Ų34.28%0.08420%0.198CC..EExtended strand (participates in β ladder)trans-102.7106.3171.6-176.365.7000108.2F135 S159 V160 L162 V170 H180L133-F135 HydrophobicContact CD2-CE1 4.18Å; L133-F135 HydrophobicContact CD2-CE2 3.99Å; L133-F135 HydrophobicContact CD2-CZ 3.47Å; L133-F135 VanDerWaalsContact CD2-CZ 3.47Å; L133-F135 HydrophobicContact CG-CE1 4.44Å; L133-F135 HydrophobicContact CG-CE2 4Å; L133-F135 HydrophobicContact CG-CZ 3.86Å; L133-S159 CarbonylContact O-C 3.58Å; L133-S159 WeakPolarHBondContact O-CA 3.47Å; L133-S159 WeakPolarHBondContact O-CB 3.4Å; L133-V160 PolarHBondContact N-O 2.85Å; L133-V160 VanDerWaalsContact N-O 3.08Å; L133-V160 PolarHBondContact O-N 2.9Å; L133-L162 HydrophobicContact CB-CD1 3.85Å; L133-L162 HydrophobicContact CB-CG 4.42Å; L133-V170 HydrophobicContact CD2-CG2 4.28Å; L133-H180 HydrophobicContact CD1-CB 3.96Å; L133-H180 HydrophobicContact CG-CB 4.45Å
134D97.1Very high88Confident1 Ų138.3 Ų38.31%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-85.6137.6179.6-58.6-39.1000109.5I132 Y136 Y156 S159 H180 G181 A183I132-D134 WeakPolarHBondContact CG2-OD1 3.46Å; D134-Y136 HydrophobicContact CB-CE2 3.47Å; D134-Y136 VanDerWaalsContact CB-CE2 3.47Å; D134-Y136 WeakPolarHBondContact CB-OH 3.36Å; D134-Y156 HydrophobicContact CB-CD2 4.44Å; D134-Y156 HydrophobicContact CB-CE2 4.12Å; D134-S159 PolarHBondContact OD1-OG 2.88Å; D134-H180 CarbonylContact O-C 3.57Å; D134-H180 WeakPolarHBondContact O-CA 3.28Å; D134-G181 PolarHBondContact N-O 2.81Å; D134-G181 PolarHBondContact O-N 3.22Å; D134-A183 PolarHBondContact OD2-N 3.47Å
135F96.8Very high86.1Confident0 Ų043.6 Ų43.60%025%0.254CS..EExtended strand (participates in β ladder)trans-115144.9176.2-65.8-83.7000111.5L13 V17 L133 I157 G158 V160 V170 M174 M179 H180L13-F135 HydrophobicContact CD1-CD2 4.05Å; L13-F135 HydrophobicContact CD1-CE2 4.13Å; V17-F135 HydrophobicContact CG1-CZ 4.4Å; V17-F135 HydrophobicContact CG2-CZ 4.35Å; L133-F135 HydrophobicContact CD2-CE1 4.18Å; L133-F135 HydrophobicContact CD2-CE2 3.99Å; L133-F135 HydrophobicContact CD2-CZ 3.47Å; L133-F135 VanDerWaalsContact CD2-CZ 3.47Å; L133-F135 HydrophobicContact CG-CE1 4.44Å; L133-F135 HydrophobicContact CG-CE2 4Å; L133-F135 HydrophobicContact CG-CZ 3.86Å; F135-I157 HydrophobicContact CB-CD1 3.85Å; F135-I157 HydrophobicContact CB-CG1 3.57Å; F135-I157 WeakPolarHBondContact O-CG1 3.2Å; F135-I157 PolarHBondContact O-N 3.3Å; F135-G158 PolarHBondContact N-O 3.3Å; F135-V160 HydrophobicContact CE2-CB 4.41Å; F135-V160 HydrophobicContact CE2-CG2 3.79Å; F135-V170 HydrophobicContact CE1-CG1 4.21Å; F135-V170 HydrophobicContact CE1-CG2 4.04Å; F135-V170 HydrophobicContact CZ-CG2 3.83Å; F135-M174 HydrophobicContact CB-CE 4.22Å; F135-M174 HydrophobicContact CD1-CE 3.4Å; F135-M174 VanDerWaalsContact CD1-CE 3.4Å; F135-M174 HydrophobicContact CD2-CE 4.29Å; F135-M174 HydrophobicContact CE1-CE 3.71Å; F135-M174 HydrophobicContact CG-CE 3.72Å; F135-M174 HydrophobicContact CZ-CE 4.27Å; F135-M179 WeakPolarHBondContact CA-O 3.14Å; F135-H180 HydrophobicContact CD1-CB 3.92Å; F135-H180 HydrophobicContact CE1-CB 3.98Å
136Y95.3Very high84.2Confident18 Ų1852.1 Ų52.17%0.07129%0.294CS..EExtended strand (participates in β ladder)trans-139.5146.4-177.3-50.6-98.6000111.7P111 D134 F152 R155 Y156 M179P111-Y136 HydrophobicContact CB-CD2 3.71Å; P111-Y136 HydrophobicContact CB-CE2 3.92Å; P111-Y136 HydrophobicContact CB-CG 4.37Å; P111-Y136 HydrophobicContact CG-CD2 3.66Å; P111-Y136 HydrophobicContact CG-CE1 4.47Å; P111-Y136 HydrophobicContact CG-CE2 3.35Å; P111-Y136 HydrophobicContact CG-CG 4.35Å; D134-Y136 HydrophobicContact CB-CE2 3.47Å; D134-Y136 VanDerWaalsContact CB-CE2 3.47Å; D134-Y136 WeakPolarHBondContact CB-OH 3.36Å; Y136-F152 HydrophobicContact CD1-CB 4.02Å; Y136-F152 AromaticContact CD1-CD1 3.97Å; Y136-F152 HydrophobicContact CD1-CD1 3.97Å; Y136-F152 HydrophobicContact CD1-CG 4.49Å; Y136-F152 VanDerWaalsContact CD1-O 3.32Å; Y136-F152 WeakPolarHBondContact CD1-O 3.18Å; Y136-F152 HydrophobicContact CE1-CB 3.82Å; Y136-F152 HydrophobicContact CE1-CD1 4.31Å; Y136-F152 HydrophobicContact CE1-CG 4.48Å; Y136-F152 HydrophobicContact CG-CD1 4.21Å; Y136-R155 CarbonylContact C-O 3.59Å; Y136-R155 WeakPolarHBondContact CA-O 3.24Å; Y136-Y156 HydrophobicContact CD1-CD2 4.28Å; Y136-Y156 AromaticContact CE1-CD2 3.76Å; Y136-Y156 HydrophobicContact CE1-CD2 3.76Å; Y136-Y156 HydrophobicContact CE1-CG 4.26Å; Y136-M179 PolarHBondContact N-O 3.48Å; Y136-M179 PolarHBondContact O-N 3.25Å
137E93.8Very high82.4Confident83 Ų8356.6 Ų56.639%0.38832%0.321SS..PPolyproline II helixtrans-64.6142.2163.8-61.1-160.6150.700110.4R155 I157 Y178E137-R155 HydrophobicContact CB-CB 4.28Å; E137-R155 PolarHBondContact N-O 2.9Å; E137-R155 PolarHBondContact O-NH1 2.96Å; E137-I157 HydrophobicContact CG-CG2 3.62Å; E137-Y178 HydrophobicContact CG-CE1 4.16Å
138P90.2Very high80.9Confident28 Ų2861.7 Ų61.718%0.18234%0.344CS..PPolyproline II helixtrans-66.4164.8172.630.7-34.6000110.7D140 H177P138-D140 PolarHBondContact O-N 3.28Å; P138-H177 VanDerWaalsContact CG-CE1 3.41Å; P138-H177 WeakPolarHBondContact CG-CE1 3.28Å
139L85.8Confident79.6Confident93 Ų9359.9 Ų59.949%0.48734%0.337SS..PPolyproline II helixtrans-64124.8165.7-66.9173.8000107.9T141 T150L139-T141 PolarHBondContact O-N 2.88Å; L139-T150 HydrophobicContact CD2-CG2 4.26Å
140D70.1Confident78.8Confident58 Ų5863.7 Ų63.731%0.3136%0.36SS..PPolyproline II helixtrans-69.8118.2177.5-163.4-18.1000108.8P138 S142 S143 K148P138-D140 PolarHBondContact O-N 3.28Å; D140-S142 VanDerWaalsContact C-N 3.29Å; D140-S142 WeakPolarHBondContact OD1-CA 3.49Å; D140-S142 WeakPolarHBondContact OD1-CB 3.33Å; D140-S142 PolarHBondContact OD1-N 2.91Å; D140-S142 PolarHBondContact OD1-OG 2.99Å; D140-S143 VanDerWaalsContact CB-OG 3.3Å; D140-S143 WeakPolarHBondContact CB-OG 3.3Å; D140-S143 PolarHBondContact OD1-N 3.08Å; D140-S143 WeakPolarHBondContact OD2-CB 3.47Å; D140-S143 PolarHBondContact OD2-OG 2.72Å; D140-K148 HydrophobicContact CB-CD 3.93Å; D140-K148 IonicContact OD2-NZ 3.73Å; D140-K148 PolarHBondContact OD2-NZ 2.95Å
141T60Low78.1Confident143 Ų14368 Ų6888%0.87738%0.384SS*.SBendtrans-88.1-4.3175.349.70000112L139L139-T141 PolarHBondContact O-N 2.88Å
142S59.1Low77.5Confident109 Ų10970.3 Ų70.376%0.76239%0.393SS*.SBendtrans-117-5.9-169.664.30000115.2D140D140-S142 VanDerWaalsContact C-N 3.29Å; D140-S142 WeakPolarHBondContact OD1-CA 3.49Å; D140-S142 WeakPolarHBondContact OD1-CB 3.33Å; D140-S142 PolarHBondContact OD1-N 2.91Å; D140-S142 PolarHBondContact OD1-OG 2.99Å
143S56.9Low76.9Confident34 Ų3476.1 Ų76.124%0.23842%0.424CS..SBendtrans-109.8155.3171.549.90000111.6D140 P145D140-S143 VanDerWaalsContact CB-OG 3.3Å; D140-S143 WeakPolarHBondContact CB-OG 3.3Å; D140-S143 PolarHBondContact OD1-N 3.08Å; D140-S143 WeakPolarHBondContact OD2-CB 3.47Å; D140-S143 PolarHBondContact OD2-OG 2.72Å; S143-P145 WeakPolarHBondContact O-CD 3.4Å; S143-P145 VanDerWaalsContact O-N 3.11Å
144D60.5Low76.2Confident87 Ų8780.4 Ų80.447%0.46545%0.447SS..  trans-42.6116.5-179.9-177.8-7.6000110.4Q146 T147D144-Q146 PolarHBondContact O-N 3.23Å; D144-Q146 WeakPolarHBondContact OD1-CB 3.48Å; D144-Q146 PolarHBondContact OD1-N 2.94Å; D144-Q146 VanDerWaalsContact OD1-N 3.1Å; D144-T147 HydrophobicContact CB-CG2 3.98Å; D144-T147 PolarHBondContact O-N 3.48Å; D144-T147 PolarHBondContact O-OG1 2.85Å
145P57.6Low75.9Confident123 Ų12381.2 Ų81.280%0.79945%0.45SS*.THydrogen-bonded Turntrans-53.1-16.8-178-25.232000114S143S143-P145 WeakPolarHBondContact O-CD 3.4Å; S143-P145 VanDerWaalsContact O-N 3.11Å
146Q59.4Low75.7Confident178 Ų17884.1 Ų84.183%0.83246%0.461SS*.THydrogen-bonded Turntrans-83.9-12.1179.3-59.7-174.22.100114.1D144D144-Q146 PolarHBondContact O-N 3.23Å; D144-Q146 WeakPolarHBondContact OD1-CB 3.48Å; D144-Q146 PolarHBondContact OD1-N 2.94Å; D144-Q146 VanDerWaalsContact OD1-N 3.1Å
147T62Low75.6Confident94 Ų9485.2 Ų85.258%0.57747%0.468SS*.SBendtrans-104.1-13.5-167.358.10000115.7D144D144-T147 HydrophobicContact CB-CG2 3.98Å; D144-T147 PolarHBondContact O-N 3.48Å; D144-T147 PolarHBondContact O-OG1 2.85Å
148K66.3Low75.6Confident108 Ų10881.2 Ų81.247%0.4745%0.45SS..SBendtrans-125.8134.8-179.2-71.6-173.7179.5178.60112.3D140D140-K148 HydrophobicContact CB-CD 3.93Å; D140-K148 IonicContact OD2-NZ 3.73Å; D140-K148 PolarHBondContact OD2-NZ 2.95Å
149S70.9Confident75.9Confident42 Ų4279.9 Ų79.929%0.29444%0.441SS..  trans-67.2137.1179.8179.20000112.1L151 D154S149-L151 WeakPolarHBondContact OG-CB 3.15Å; S149-L151 WeakPolarHBondContact OG-CG 3.41Å; S149-L151 PolarHBondContact OG-N 3.35Å; S149-L151 VanDerWaalsContact OG-N 3.08Å; S149-D154 WeakPolarHBondContact CB-OD2 3.36Å; S149-D154 PolarHBondContact OG-OD2 3.29Å
150T81.4Confident76.4Confident101 Ų10175.5 Ų75.562%0.6242%0.418SS*.  trans-78.3-12.5172.4570000112.6L139 R155L139-T150 HydrophobicContact CD2-CG2 4.26Å; T150-R155 PolarHBondContact O-NH2 3.46Å
151L84.2Confident77.8Confident109 Ų10974 Ų7457%0.57141%0.408SS*.SBendtrans-68.5142.9-178.9-57175.8000110.6S149S149-L151 WeakPolarHBondContact OG-CB 3.15Å; S149-L151 WeakPolarHBondContact OG-CG 3.41Å; S149-L151 PolarHBondContact OG-N 3.35Å; S149-L151 VanDerWaalsContact OG-N 3.08Å
152F84.1Confident79.6Confident51 Ų5167.3 Ų67.322%0.22437%0.367CS..SBendtrans-69-35.3179.3-75.7-75.2000112.9F110 P111 Y136 D154 R155 Y156 M179F110-F152 HydrophobicContact CD1-CZ 4.41Å; F110-F152 HydrophobicContact CE1-CE1 4.27Å; F110-F152 AromaticContact CE1-CE2 3.85Å; F110-F152 HydrophobicContact CE1-CE2 3.85Å; F110-F152 AromaticContact CE1-CZ 3.37Å; F110-F152 HydrophobicContact CE1-CZ 3.37Å; F110-F152 HydrophobicContact CE2-CD2 4.08Å; F110-F152 AromaticContact CE2-CE2 3.38Å; F110-F152 HydrophobicContact CE2-CE2 3.38Å; F110-F152 AromaticContact CE2-CZ 3.8Å; F110-F152 HydrophobicContact CE2-CZ 3.8Å; F110-F152 HydrophobicContact CZ-CD2 4.09Å; F110-F152 HydrophobicContact CZ-CE1 4.19Å; F110-F152 AromaticContact CZ-CE2 2.99Å; F110-F152 HydrophobicContact CZ-CE2 2.99Å; F110-F152 AromaticContact CZ-CZ 3.04Å; F110-F152 HydrophobicContact CZ-CZ 3.04Å; P111-F152 HydrophobicContact CB-CD1 3.91Å; P111-F152 HydrophobicContact CB-CE1 3.57Å; P111-F152 HydrophobicContact CB-CZ 4.37Å; P111-F152 HydrophobicContact CG-CD1 3.69Å; P111-F152 HydrophobicContact CG-CE1 3.76Å; P111-F152 HydrophobicContact CG-CG 4.28Å; P111-F152 HydrophobicContact CG-CZ 4.44Å; Y136-F152 HydrophobicContact CD1-CB 4.02Å; Y136-F152 AromaticContact CD1-CD1 3.97Å; Y136-F152 HydrophobicContact CD1-CD1 3.97Å; Y136-F152 HydrophobicContact CD1-CG 4.49Å; Y136-F152 VanDerWaalsContact CD1-O 3.32Å; Y136-F152 WeakPolarHBondContact CD1-O 3.18Å; Y136-F152 HydrophobicContact CE1-CB 3.82Å; Y136-F152 HydrophobicContact CE1-CD1 4.31Å; Y136-F152 HydrophobicContact CE1-CG 4.48Å; Y136-F152 HydrophobicContact CG-CD1 4.21Å; F152-D154 PolarHBondContact O-N 3.11Å; F152-R155 CarbonylContact O-C 3.6Å; F152-R155 PolarHBondContact O-N 3.25Å; F152-Y156 PolarHBondContact O-N 2.86Å; F152-M179 HydrophobicContact CE1-CE 4.46Å; F152-M179 HydrophobicContact CE1-SD 4.49Å
153N84.5Confident81.4Confident122 Ų12265.8 Ų65.865%0.65235%0.347SS*.G310 helixtrans-58.7-39-179.2-69.80.1000111.4R155 Y156N153-R155 PolarHBondContact O-N 3.37Å; N153-Y156 WeakPolarHBondContact O-CB 3.36Å; N153-Y156 PolarHBondContact O-N 2.9Å
154D85Confident83.4Confident106 Ų10664.7 Ų64.757%0.56734%0.34SS*.G310 helixtrans-75.7-14.5-179-56.3-21000112.9S149 F152S149-D154 WeakPolarHBondContact CB-OD2 3.36Å; S149-D154 PolarHBondContact OG-OD2 3.29Å; F152-D154 PolarHBondContact O-N 3.11Å
155R90.3Very high85.2Confident18 Ų1863.2 Ų63.27%0.06833%0.328CS..G310 helixtrans-107.50.2177.5-64.7-174.1-66.9133.4-7.5112.8Y136 E137 T150 F152 N153Y136-R155 CarbonylContact C-O 3.59Å; Y136-R155 WeakPolarHBondContact CA-O 3.24Å; E137-R155 HydrophobicContact CB-CB 4.28Å; E137-R155 PolarHBondContact N-O 2.9Å; E137-R155 PolarHBondContact O-NH1 2.96Å; T150-R155 PolarHBondContact O-NH2 3.46Å; F152-R155 CarbonylContact O-C 3.6Å; F152-R155 PolarHBondContact O-N 3.25Å; N153-R155 PolarHBondContact O-N 3.37Å
156Y92Very high87.1Confident61 Ų6157.4 Ų57.424%0.23929%0.29CS..EExtended strand (participates in β ladder)trans-71.9128.6-178.5170.6-97.7000109.9D134 Y136 F152 N153 G158 S159 V209D134-Y156 HydrophobicContact CB-CD2 4.44Å; D134-Y156 HydrophobicContact CB-CE2 4.12Å; Y136-Y156 HydrophobicContact CD1-CD2 4.28Å; Y136-Y156 AromaticContact CE1-CD2 3.76Å; Y136-Y156 HydrophobicContact CE1-CD2 3.76Å; Y136-Y156 HydrophobicContact CE1-CG 4.26Å; F152-Y156 PolarHBondContact O-N 2.86Å; N153-Y156 WeakPolarHBondContact O-CB 3.36Å; N153-Y156 PolarHBondContact O-N 2.9Å; Y156-G158 WeakPolarHBondContact CE2-O 3.42Å; Y156-G158 VanDerWaalsContact CZ-C 3.45Å; Y156-G158 VanDerWaalsContact OH-C 3.27Å; Y156-G158 WeakPolarHBondContact OH-CA 3.38Å; Y156-S159 WeakPolarHBondContact CE2-OG 3.29Å; Y156-S159 PolarHBondContact OH-N 3.32Å; Y156-S159 PolarHBondContact OH-OG 3.38Å; Y156-V209 HydrophobicContact CE1-CB 4.26Å; Y156-V209 HydrophobicContact CE1-CG2 4.16Å; Y156-V209 PolarHBondContact OH-N 2.95Å; Y156-V209 PolarHBondContact OH-O 3.1Å
157I92.9Very high89Confident41 Ų4148.9 Ų48.921%0.2125%0.25CS..EExtended strand (participates in β ladder)trans-110.8-5.3-177.165.5159.3000113.5L13 P14 F135 E137 M174 Y178 H211L13-I157 HydrophobicContact CD2-CD1 4.33Å; L13-I157 HydrophobicContact CD2-CG1 4.46Å; P14-I157 HydrophobicContact CG-CD1 3.87Å; F135-I157 HydrophobicContact CB-CD1 3.85Å; F135-I157 HydrophobicContact CB-CG1 3.57Å; F135-I157 WeakPolarHBondContact O-CG1 3.2Å; F135-I157 PolarHBondContact O-N 3.3Å; E137-I157 HydrophobicContact CG-CG2 3.62Å; I157-M174 HydrophobicContact CD1-CE 4.26Å; I157-Y178 HydrophobicContact CD1-CD1 3.58Å; I157-Y178 HydrophobicContact CD1-CE1 3.65Å; I157-Y178 HydrophobicContact CD1-CG 4.37Å; I157-H211 PolarHBondContact O-NE2 3.26Å
158G93.6Very high90.7Very high0 Ų044.8 Ų44.80%023%0.225CC..EExtended strand (participates in β ladder)trans134.6172.7-176.800000114.4F135 Y156 H211F135-G158 PolarHBondContact N-O 3.3Å; Y156-G158 WeakPolarHBondContact CE2-O 3.42Å; Y156-G158 VanDerWaalsContact CZ-C 3.45Å; Y156-G158 VanDerWaalsContact OH-C 3.27Å; Y156-G158 WeakPolarHBondContact OH-CA 3.38Å; G158-H211 VanDerWaalsContact CA-NE2 3.33Å; G158-H211 WeakPolarHBondContact CA-NE2 3.38Å
159S96.6Very high92.2Very high0 Ų039.6 Ų39.60%020%0.202CC..EExtended strand (participates in β ladder)trans-131.5160178-49.90000112.6I132 L133 D134 Y156 V209 H211I132-S159 VanDerWaalsContact CG2-CB 3.46Å; L133-S159 CarbonylContact O-C 3.58Å; L133-S159 WeakPolarHBondContact O-CA 3.47Å; L133-S159 WeakPolarHBondContact O-CB 3.4Å; D134-S159 PolarHBondContact OD1-OG 2.88Å; Y156-S159 WeakPolarHBondContact CE2-OG 3.29Å; Y156-S159 PolarHBondContact OH-N 3.32Å; Y156-S159 PolarHBondContact OH-OG 3.38Å; S159-V209 WeakPolarHBondContact CA-O 3.27Å; S159-V209 PolarHBondContact N-O 2.87Å; S159-H211 PolarHBondContact O-N 2.82Å
160V97.6Very high93.5Very high1 Ų137.9 Ų37.91%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-112.7128168.8177.20000108.4L13 V17 Y19 L133 F135 L162 N212L13-V160 HydrophobicContact CD1-CG2 3.62Å; V17-V160 HydrophobicContact CG1-CG2 3.87Å; Y19-V160 HydrophobicContact CD2-CG1 4.17Å; L133-V160 PolarHBondContact N-O 2.85Å; L133-V160 VanDerWaalsContact N-O 3.08Å; L133-V160 PolarHBondContact O-N 2.9Å; F135-V160 HydrophobicContact CE2-CB 4.41Å; F135-V160 HydrophobicContact CE2-CG2 3.79Å; V160-L162 HydrophobicContact CB-CD2 4.42Å; V160-L162 HydrophobicContact CG1-CD2 3.62Å; V160-L162 HydrophobicContact CG1-CG 4.47Å; V160-N212 HydrophobicContact CG1-CB 4.44Å; V160-N212 VanDerWaalsContact CG1-ND2 3.3Å; V160-N212 WeakPolarHBondContact CG1-ND2 3.22Å
161Y97.9Very high94.1Very high26 Ų2633.1 Ų33.110%0.10216%0.161CC..EExtended strand (participates in β ladder)trans-78.7123.6170.1-179.2-88.9000109.3Y19 Y130 I132 K163 L190 N212 N216 F218Y19-Y161 WeakPolarHBondContact CE2-O 3.16Å; Y130-Y161 VanDerWaalsContact CB-CZ 3.44Å; Y130-Y161 VanDerWaalsContact CB-OH 3.27Å; Y130-Y161 WeakPolarHBondContact CB-OH 3.42Å; Y130-Y161 HydrophobicContact CD1-CE2 4.23Å; Y130-Y161 AromaticContact CD2-CD2 3.91Å; Y130-Y161 HydrophobicContact CD2-CD2 3.91Å; Y130-Y161 AromaticContact CD2-CE2 3.28Å; Y130-Y161 HydrophobicContact CD2-CE2 3.28Å; Y130-Y161 AromaticContact CD2-CZ 3.96Å; Y130-Y161 HydrophobicContact CE2-CD2 4.5Å; Y130-Y161 AromaticContact CE2-CE2 3.93Å; Y130-Y161 HydrophobicContact CE2-CE2 3.93Å; Y130-Y161 HydrophobicContact CG-CD2 4.45Å; Y130-Y161 AromaticContact CG-CE2 3.47Å; Y130-Y161 HydrophobicContact CG-CE2 3.47Å; Y130-Y161 VanDerWaalsContact CG-CE2 3.47Å; Y130-Y161 AromaticContact CG-CZ 3.66Å; I132-Y161 HydrophobicContact CD1-CD2 3.59Å; I132-Y161 HydrophobicContact CD1-CE2 4.37Å; I132-Y161 HydrophobicContact CD1-CG 4.4Å; Y161-K163 HydrophobicContact CD1-CB 4.38Å; Y161-K163 HydrophobicContact CE1-CB 3.87Å; Y161-K163 HydrophobicContact CE1-CG 4.33Å; Y161-L190 HydrophobicContact CD2-CD1 3.62Å; Y161-L190 HydrophobicContact CD2-CD2 4.05Å; Y161-L190 HydrophobicContact CE2-CD1 3.59Å; Y161-L190 HydrophobicContact CE2-CD2 4.45Å; Y161-N212 PolarHBondContact N-OD1 3.25Å; Y161-N212 PolarHBondContact O-ND2 3.45Å; Y161-N216 HydrophobicContact CD1-CB 4.41Å; Y161-N216 WeakPolarHBondContact CD1-OD1 3.31Å; Y161-F218 AromaticContact CD1-CE2 3.98Å; Y161-F218 HydrophobicContact CD1-CE2 3.98Å; Y161-F218 AromaticContact CD1-CZ 3.65Å; Y161-F218 HydrophobicContact CD1-CZ 3.65Å; Y161-F218 HydrophobicContact CD2-CE2 4.42Å; Y161-F218 AromaticContact CD2-CZ 3.97Å; Y161-F218 HydrophobicContact CD2-CZ 3.97Å; Y161-F218 HydrophobicContact CE1-CE1 4.44Å; Y161-F218 HydrophobicContact CE1-CE2 4.38Å; Y161-F218 AromaticContact CE1-CZ 3.61Å; Y161-F218 HydrophobicContact CE1-CZ 3.61Å; Y161-F218 AromaticContact CE2-CZ 3.96Å; Y161-F218 HydrophobicContact CE2-CZ 3.96Å; Y161-F218 AromaticContact CG-CE2 3.98Å; Y161-F218 HydrophobicContact CG-CE2 3.98Å; Y161-F218 AromaticContact CG-CZ 3.82Å; Y161-F218 HydrophobicContact CG-CZ 3.82Å; Y161-F218 AromaticContact CZ-CZ 3.76Å
162L98.2Very high94.5Very high2 Ų232.7 Ų32.71%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-109.591.3-175.5-59.4-178000109.7Y19 N126 Y130 G131 L133 V160 N168Y19-L162 HydrophobicContact CD2-CD2 4.08Å; Y19-L162 HydrophobicContact CE2-CD2 4.08Å; N126-L162 HydrophobicContact CB-CB 4.36Å; N126-L162 WeakPolarHBondContact OD1-CD1 3.16Å; Y130-L162 CarbonylContact C-O 3.5Å; Y130-L162 WeakPolarHBondContact CA-O 3.37Å; Y130-L162 WeakPolarHBondContact CB-O 3.38Å; G131-L162 PolarHBondContact N-O 2.9Å; G131-L162 WeakPolarHBondContact O-CB 3.28Å; G131-L162 PolarHBondContact O-N 3.39Å; L133-L162 HydrophobicContact CB-CD1 3.85Å; L133-L162 HydrophobicContact CB-CG 4.42Å; V160-L162 HydrophobicContact CB-CD2 4.42Å; V160-L162 HydrophobicContact CG1-CD2 3.62Å; V160-L162 HydrophobicContact CG1-CG 4.47Å; L162-N168 HydrophobicContact CD2-CB 3.48Å; L162-N168 VanDerWaalsContact CD2-CB 3.48Å
163K97.5Very high94.9Very high77 Ų7736 Ų3634%0.33517%0.17SC..  trans-63.7150.8176.2-163.5-179.8177.5-174.30110.2Y19 N126 Y161 S166Y19-K163 WeakPolarHBondContact OH-CB 3.3Å; Y19-K163 PolarHBondContact OH-N 3.11Å; N126-K163 WeakPolarHBondContact CB-O 3.08Å; Y161-K163 HydrophobicContact CD1-CB 4.38Å; Y161-K163 HydrophobicContact CE1-CB 3.87Å; Y161-K163 HydrophobicContact CE1-CG 4.33Å; K163-S166 VanDerWaalsContact O-CB 3.28Å; K163-S166 WeakPolarHBondContact O-CB 3.3Å; K163-S166 PolarHBondContact O-N 2.75Å; K163-S166 PolarHBondContact O-OG 2.88Å
164A98.1Very high95.5Very high12 Ų1230.2 Ų30.210%0.09914%0.139CC..THydrogen-bonded Turntrans-50.7144.8163.800000110.2N126 S166N126-A164 CarbonylContact O-C 3.57Å; A164-S166 PolarHBondContact O-N 3.15Å
165R98.6Very high96Very high56 Ų5625.7 Ų25.721%0.21111%0.114CC..THydrogen-bonded Turntrans67.62.1-175.3-56.4177.3-65.8-80.25117D22 F23 I24 N25 E29 N126D22-R165 CarbonylContact C-O 3.56Å; F23-R165 PolarHBondContact N-O 3.09Å; I24-R165 HydrophobicContact CD1-CG 4.36Å; I24-R165 HydrophobicContact CG1-CB 3.72Å; I24-R165 HydrophobicContact CG1-CG 3.89Å; I24-R165 PolarHBondContact N-O 2.71Å; I24-R165 WeakPolarHBondContact O-CB 3.4Å; N25-R165 WeakPolarHBondContact O-CD 3.44Å; E29-R165 HydrophobicContact CB-CG 3.96Å; E29-R165 HydrophobicContact CG-CG 4.32Å; E29-R165 WeakPolarHBondContact OE2-CD 3.2Å; E29-R165 WeakPolarHBondContact OE2-CG 3.32Å; E29-R165 IonicContact OE2-CZ 2.78Å; E29-R165 IonicContact OE2-NH1 2.87Å; E29-R165 PolarHBondContact OE2-NH1 2.9Å; N126-R165 WeakPolarHBondContact O-CA 3.46Å; N126-R165 PolarHBondContact O-N 3.34Å
166S98.6Very high96.1Very high0 Ų029 Ų290%014%0.137CC..  trans-80.4158.2175.367.80000112.7Y19 L20 I125 N126 K163 A164Y19-S166 WeakPolarHBondContact CE2-OG 3.13Å; Y19-S166 WeakPolarHBondContact OH-CB 3.33Å; L20-S166 CarbonylContact O-C 3.5Å; L20-S166 VanDerWaalsContact O-CA 3.29Å; L20-S166 WeakPolarHBondContact O-CA 3.45Å; L20-S166 WeakPolarHBondContact O-CB 3.4Å; I125-S166 WeakPolarHBondContact CA-O 3.44Å; N126-S166 PolarHBondContact N-O 2.82Å; N126-S166 PolarHBondContact ND2-OG 3.29Å; K163-S166 VanDerWaalsContact O-CB 3.28Å; K163-S166 WeakPolarHBondContact O-CB 3.3Å; K163-S166 PolarHBondContact O-N 2.75Å; K163-S166 PolarHBondContact O-OG 2.88Å; A164-S166 PolarHBondContact O-N 3.15Å
167L98.6Very high96.3Very high0 Ų030 Ų300%014%0.143CC..EExtended strand (participates in β ladder)trans-111.4127.6163.1-17982.6000109.2L20 F23 V80 L83 A123 T124 I125 I169L20-L167 HydrophobicContact CB-CB 4.22Å; L20-L167 HydrophobicContact CD2-CD2 4.29Å; L20-L167 PolarHBondContact N-O 2.86Å; L20-L167 PolarHBondContact O-N 3.34Å; F23-L167 HydrophobicContact CB-CB 3.63Å; F23-L167 HydrophobicContact CD1-CB 3.74Å; F23-L167 HydrophobicContact CD1-CD1 4.16Å; F23-L167 HydrophobicContact CD1-CD2 4.39Å; F23-L167 HydrophobicContact CD1-CG 4.33Å; F23-L167 HydrophobicContact CD2-CB 3.97Å; F23-L167 HydrophobicContact CD2-CD2 3.96Å; F23-L167 HydrophobicContact CE1-CB 4.38Å; F23-L167 HydrophobicContact CE1-CD1 4.1Å; F23-L167 HydrophobicContact CE1-CD2 4.25Å; F23-L167 HydrophobicContact CE1-CG 4.5Å; F23-L167 HydrophobicContact CE2-CD2 3.82Å; F23-L167 HydrophobicContact CG-CB 3.49Å; F23-L167 VanDerWaalsContact CG-CB 3.49Å; F23-L167 HydrophobicContact CG-CD2 4.25Å; F23-L167 HydrophobicContact CG-CG 4.34Å; F23-L167 HydrophobicContact CZ-CD2 3.95Å; V80-L167 HydrophobicContact CG2-CD1 4.08Å; L83-L167 HydrophobicContact CD1-CD2 3.62Å; A123-L167 HydrophobicContact CB-CD1 4.17Å; T124-L167 WeakPolarHBondContact O-CA 3.3Å; I125-L167 HydrophobicContact CG1-CD1 3.62Å; L167-I169 HydrophobicContact CD2-CD1 3.97Å; L167-I169 HydrophobicContact CD2-CG1 4.05Å; L167-I169 HydrophobicContact CG-CG1 4.31Å
168N98.2Very high96.4Very high7 Ų729.2 Ų29.24%0.03714%0.138CC..EExtended strand (participates in β ladder)trans-109.2143.416668.9-78.8000111.1L18 Y19 A123 T124 N126 L162L18-N168 WeakPolarHBondContact O-CA 3.38Å; Y19-N168 HydrophobicContact CD2-CB 4.49Å; A123-N168 CarbonylContact C-O 3.43Å; A123-N168 WeakPolarHBondContact CA-O 3.23Å; T124-N168 WeakPolarHBondContact CB-OD1 3.26Å; T124-N168 PolarHBondContact N-O 3.01Å; T124-N168 PolarHBondContact O-N 3.05Å; T124-N168 PolarHBondContact O-OD1 2.66Å; T124-N168 VanDerWaalsContact O-OD1 3.11Å; N126-N168 PolarHBondContact ND2-OD1 3.18Å; L162-N168 HydrophobicContact CD2-CB 3.48Å; L162-N168 VanDerWaalsContact CD2-CB 3.48Å
169I97.8Very high96.5Very high0 Ų030.4 Ų30.40%014%0.144CC..EExtended strand (participates in β ladder)trans-124.4131.8178.4-58.6157.5000108.3L5 V17 L18 L20 L83 L85 V121 V122 A123 L167L5-I169 HydrophobicContact CD1-CD1 4.17Å; V17-I169 WeakPolarHBondContact CA-O 3.38Å; L18-I169 HydrophobicContact CB-CB 4.18Å; L18-I169 HydrophobicContact CB-CD1 4.43Å; L18-I169 HydrophobicContact CD1-CB 4.44Å; L18-I169 HydrophobicContact CD1-CG2 4.41Å; L18-I169 PolarHBondContact N-O 3.33Å; L18-I169 PolarHBondContact O-N 3.11Å; L20-I169 HydrophobicContact CD1-CD1 3.99Å; L83-I169 HydrophobicContact CD1-CD1 4.39Å; L85-I169 HydrophobicContact CD1-CD1 3.65Å; L85-I169 HydrophobicContact CD1-CG1 3.89Å; L85-I169 HydrophobicContact CD1-CG2 4.26Å; L85-I169 HydrophobicContact CD2-CD1 3.9Å; L85-I169 HydrophobicContact CD2-CG2 4.38Å; L85-I169 HydrophobicContact CG-CD1 4.42Å; V121-I169 HydrophobicContact CG1-CG2 3.96Å; V122-I169 VanDerWaalsContact O-CA 3.29Å; V122-I169 WeakPolarHBondContact O-CA 3.41Å; A123-I169 HydrophobicContact CB-CG1 4.18Å; L167-I169 HydrophobicContact CD2-CD1 3.97Å; L167-I169 HydrophobicContact CD2-CG1 4.05Å; L167-I169 HydrophobicContact CG-CG1 4.31Å
170V97.3Very high96.5Very high5 Ų531.6 Ų31.63%0.0315%0.149CC..EExtended strand (participates in β ladder)trans-124.1124172.2-176.80000107.6V121 V122 L133 F135 M174V121-V170 WeakPolarHBondContact CA-O 3.32Å; V122-V170 HydrophobicContact CG1-CB 3.82Å; V122-V170 PolarHBondContact N-O 3.45Å; V122-V170 PolarHBondContact O-N 2.91Å; L133-V170 HydrophobicContact CD2-CG2 4.28Å; F135-V170 HydrophobicContact CE1-CG1 4.21Å; F135-V170 HydrophobicContact CE1-CG2 4.04Å; F135-V170 HydrophobicContact CZ-CG2 3.83Å; V170-M174 HydrophobicContact CG1-CB 3.77Å
171A95.2Very high96.5Very high1 Ų131.6 Ų31.61%0.00815%0.149CC..EExtended strand (participates in β ladder)trans-137.7162.4-171.300000112.9N16 P120 V121 K173 M174 Y175N16-A171 HydrophobicContact CB-CB 3.96Å; N16-A171 WeakPolarHBondContact CB-O 3.08Å; N16-A171 PolarHBondContact O-N 2.68Å; P120-A171 CarbonylContact O-C 3.5Å; P120-A171 WeakPolarHBondContact O-CA 3.43Å; V121-A171 HydrophobicContact CB-CB 4.29Å; V121-A171 HydrophobicContact CG1-CB 4.09Å; V121-A171 HydrophobicContact CG2-CB 3.76Å; A171-K173 PolarHBondContact O-N 3.09Å; A171-M174 PolarHBondContact O-N 2.73Å; A171-M174 VanDerWaalsContact O-N 3.15Å; A171-Y175 PolarHBondContact O-N 2.87Å
172E92.4Very high96.5Very high100 Ų10031 Ų3147%0.46715%0.148SC..Hα-helixtrans50.1-125.7172.4-53-170.815800112.8N16 P120 M174 Y175 T176N16-E172 HydrophobicContact CB-CB 4.4Å; N16-E172 PolarHBondContact ND2-OE2 3.48Å; P120-E172 PolarHBondContact O-N 3.06Å; E172-M174 VanDerWaalsContact C-N 3.27Å; E172-M174 PolarHBondContact O-N 2.89Å; E172-Y175 WeakPolarHBondContact O-CA 3.28Å; E172-Y175 WeakPolarHBondContact O-CB 3.37Å; E172-Y175 PolarHBondContact O-N 3.26Å; E172-T176 PolarHBondContact O-N 2.84Å; E172-T176 PolarHBondContact O-OG1 3.48Å; E172-T176 VanDerWaalsContact O-OG1 3.11Å
173K92.9Very high96.3Very high121 Ų12132.1 Ų32.153%0.52616%0.157SC..Hα-helixtrans-58.8-36.9-177-170.3177.8179-177.90112.5A171 Y175 T176 H177 Y178A171-K173 PolarHBondContact O-N 3.09Å; K173-Y175 PolarHBondContact O-N 2.8Å; K173-T176 PolarHBondContact O-N 2.95Å; K173-H177 HydrophobicContact CG-CB 4Å; K173-H177 VanDerWaalsContact O-CB 3.29Å; K173-H177 WeakPolarHBondContact O-CB 3.33Å; K173-H177 PolarHBondContact O-N 2.98Å; K173-Y178 HydrophobicContact CD-CE2 4.5Å; K173-Y178 HydrophobicContact CG-CE2 4.22Å
174M95.2Very high96.2Very high1 Ų133.8 Ų33.81%0.00517%0.166CC..Hα-helixtrans-66-28.4175.4-78.3-63.6-69.300112.7P14 P15 V17 F135 I157 V170 A171 E172 Y178P14-M174 HydrophobicContact CB-CG 4.12Å; P14-M174 HydrophobicContact CB-SD 3.58Å; P14-M174 VanDerWaalsContact CB-SD 3.58Å; P14-M174 HydrophobicContact CG-SD 3.72Å; P14-M174 WeakPolarHBondContact O-CG 3.19Å; P15-M174 WeakPolarHBondContact O-CG 3.44Å; V17-M174 HydrophobicContact CG2-CB 4.05Å; V17-M174 HydrophobicContact CG2-CE 3.41Å; V17-M174 VanDerWaalsContact CG2-CE 3.41Å; V17-M174 HydrophobicContact CG2-CG 3.71Å; V17-M174 HydrophobicContact CG2-SD 4.27Å; F135-M174 HydrophobicContact CB-CE 4.22Å; F135-M174 HydrophobicContact CD1-CE 3.4Å; F135-M174 VanDerWaalsContact CD1-CE 3.4Å; F135-M174 HydrophobicContact CD2-CE 4.29Å; F135-M174 HydrophobicContact CE1-CE 3.71Å; F135-M174 HydrophobicContact CG-CE 3.72Å; F135-M174 HydrophobicContact CZ-CE 4.27Å; I157-M174 HydrophobicContact CD1-CE 4.26Å; V170-M174 HydrophobicContact CG1-CB 3.77Å; A171-M174 PolarHBondContact O-N 2.73Å; A171-M174 VanDerWaalsContact O-N 3.15Å; E172-M174 VanDerWaalsContact C-N 3.27Å; E172-M174 PolarHBondContact O-N 2.89Å; M174-Y178 HydrophobicContact CE-CG 4.44Å; M174-Y178 HydrophobicContact CG-CD2 4.33Å; M174-Y178 HydrophobicContact SD-CD1 4.36Å; M174-Y178 HydrophobicContact SD-CD2 3.28Å; M174-Y178 WeakPolarHBondContact SD-CD2 3.38Å; M174-Y178 HydrophobicContact SD-CE2 3.61Å; M174-Y178 HydrophobicContact SD-CG 3.66Å
175Y95.8Very high96.1Very high11 Ų1135.1 Ų35.14%0.04317%0.169CC..Hα-helixtrans-80.7-43.8174.4-176.7-90.2000113D114 Y118 P120 V122 A171 E172 K173D114-Y175 HydrophobicContact CB-CE1 4.47Å; D114-Y175 HydrophobicContact CB-CE2 3.89Å; D114-Y175 WeakPolarHBondContact CB-OH 3.29Å; D114-Y175 WeakPolarHBondContact OD2-CE2 3.48Å; D114-Y175 PolarHBondContact OD2-OH 2.85Å; Y118-Y175 WeakPolarHBondContact CB-OH 3.39Å; P120-Y175 HydrophobicContact CB-CD1 3.77Å; P120-Y175 HydrophobicContact CB-CE1 4.29Å; P120-Y175 HydrophobicContact CB-CG 4.47Å; V122-Y175 HydrophobicContact CB-CD2 4.17Å; V122-Y175 HydrophobicContact CB-CE2 3.84Å; V122-Y175 HydrophobicContact CG1-CD2 3.76Å; V122-Y175 HydrophobicContact CG1-CE2 3.84Å; A171-Y175 PolarHBondContact O-N 2.87Å; E172-Y175 WeakPolarHBondContact O-CA 3.28Å; E172-Y175 WeakPolarHBondContact O-CB 3.37Å; E172-Y175 PolarHBondContact O-N 3.26Å; K173-Y175 PolarHBondContact O-N 2.8Å
176T94.1Very high96Very high88 Ų8836.1 Ų36.154%0.5418%0.181SC..Hα-helixtrans-89.8-27.8-168.757.20000114.3P120 E172 K173P120-T176 HydrophobicContact CB-CG2 3.76Å; E172-T176 PolarHBondContact O-N 2.84Å; E172-T176 PolarHBondContact O-OG1 3.48Å; E172-T176 VanDerWaalsContact O-OG1 3.11Å; K173-T176 PolarHBondContact O-N 2.95Å
177H94.4Very high95.9Very high81 Ų8138.4 Ų38.438%0.37519%0.193SC..THydrogen-bonded Turntrans-108-49.6-172.7-178.568.8000112.8H113 P138 K173H113-H177 PolarHBondContact NE2-O 2.87Å; P138-H177 VanDerWaalsContact CG-CE1 3.41Å; P138-H177 WeakPolarHBondContact CG-CE1 3.28Å; K173-H177 HydrophobicContact CG-CB 4Å; K173-H177 VanDerWaalsContact O-CB 3.29Å; K173-H177 WeakPolarHBondContact O-CB 3.33Å; K173-H177 PolarHBondContact O-N 2.98Å
178Y95.6Very high95.8Very high24 Ų2438.4 Ų38.49%0.09419%0.193CC..SBendtrans-77.6146.2-177.2-65.9-90.9000111.3P14 H113 E137 I157 K173 M174P14-Y178 HydrophobicContact CB-CE2 3.92Å; P14-Y178 HydrophobicContact CG-CE1 4.07Å; P14-Y178 HydrophobicContact CG-CE2 3.94Å; P14-Y178 VanDerWaalsContact CG-OH 3.32Å; P14-Y178 WeakPolarHBondContact CG-OH 3.46Å; H113-Y178 PolarHBondContact CD2-O 3.34Å; H113-Y178 VanDerWaalsContact CD2-O 3.31Å; H113-Y178 PolarHBondContact NE2-O 3.13Å; E137-Y178 HydrophobicContact CG-CE1 4.16Å; I157-Y178 HydrophobicContact CD1-CD1 3.58Å; I157-Y178 HydrophobicContact CD1-CE1 3.65Å; I157-Y178 HydrophobicContact CD1-CG 4.37Å; K173-Y178 HydrophobicContact CD-CE2 4.5Å; K173-Y178 HydrophobicContact CG-CE2 4.22Å; M174-Y178 HydrophobicContact CE-CG 4.44Å; M174-Y178 HydrophobicContact CG-CD2 4.33Å; M174-Y178 HydrophobicContact SD-CD1 4.36Å; M174-Y178 HydrophobicContact SD-CD2 3.28Å; M174-Y178 WeakPolarHBondContact SD-CD2 3.38Å; M174-Y178 HydrophobicContact SD-CE2 3.61Å; M174-Y178 HydrophobicContact SD-CG 3.66Å
179M96.3Very high95.6Very high26 Ų2639.7 Ų39.713%0.12820%0.2CC..EExtended strand (participates in β ladder)trans-87.5150.4172.7-54.5178.575.900109P111 H112 H113 F135 Y136 F152P111-M179 HydrophobicContact CB-CB 4.2Å; P111-M179 HydrophobicContact CB-CE 4.25Å; P111-M179 WeakPolarHBondContact O-CE 3.48Å; H112-M179 WeakPolarHBondContact O-CA 3.45Å; H113-M179 VanDerWaalsContact CE1-CG 3.48Å; H113-M179 WeakPolarHBondContact CE1-CG 3.44Å; F135-M179 WeakPolarHBondContact CA-O 3.14Å; Y136-M179 PolarHBondContact N-O 3.48Å; Y136-M179 PolarHBondContact O-N 3.25Å; F152-M179 HydrophobicContact CE1-CE 4.46Å; F152-M179 HydrophobicContact CE1-SD 4.49Å
180H97Very high95.4Very high25 Ų2539.7 Ų39.712%0.11620%0.2CC..EExtended strand (participates in β ladder)trans-133.8150.6173.764-84.1000111.7P111 H112 D114 L133 D134 F135P111-H180 CarbonylContact C-O 3.53Å; P111-H180 VanDerWaalsContact CA-O 3.28Å; P111-H180 WeakPolarHBondContact CA-O 3.44Å; H112-H180 AromaticContact CE1-CD2 3.81Å; H112-H180 AromaticContact CE1-NE2 3.58Å; H112-H180 PolarHBondContact CE1-O 3.41Å; H112-H180 PolarHBondContact N-O 2.88Å; H112-H180 PolarHBondContact ND1-O 3.03Å; H112-H180 AromaticContact NE2-NE2 3.55Å; H112-H180 PolarHBondContact O-N 2.87Å; H112-H180 PolarHBondContact O-ND1 3.49Å; D114-H180 IonicContact OD1-CE1 3.69Å; D114-H180 IonicContact OD1-NE2 3.29Å; L133-H180 HydrophobicContact CD1-CB 3.96Å; L133-H180 HydrophobicContact CG-CB 4.45Å; D134-H180 CarbonylContact O-C 3.57Å; D134-H180 WeakPolarHBondContact O-CA 3.28Å; F135-H180 HydrophobicContact CD1-CB 3.92Å; F135-H180 HydrophobicContact CE1-CB 3.98Å
181G96.8Very high95.1Very high1 Ų139.9 Ų39.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-154171.7-176.900000113.2I109 D134I109-G181 WeakPolarHBondContact O-CA 3.36Å; D134-G181 PolarHBondContact N-O 2.81Å; D134-G181 PolarHBondContact O-N 3.22Å
182I97.3Very high94.9Very high13 Ų1340.9 Ų40.97%0.06721%0.206CC..EExtended strand (participates in β ladder)trans-128.3109170.4-57.5172.5000105.7Y103 G108 I109Y103-I182 HydrophobicContact CE1-CD1 4.26Å; Y103-I182 HydrophobicContact CE2-CD1 4.09Å; G108-I182 CarbonylContact C-O 3.57Å; G108-I182 WeakPolarHBondContact CA-O 3.28Å; I109-I182 HydrophobicContact CG2-CB 4.07Å; I109-I182 HydrophobicContact CG2-CD1 4.19Å; I109-I182 HydrophobicContact CG2-CG1 4.01Å; I109-I182 PolarHBondContact N-O 3.15Å; I109-I182 PolarHBondContact O-N 2.75Å
183A95.7Very high94.7Very high25 Ų2539.3 Ų39.321%0.20720%0.196CC..  trans-61.3140-179.600000112.6D134 R185 R228D134-A183 PolarHBondContact OD2-N 3.47Å; A183-R185 VanDerWaalsContact CB-NE 3.29Å; A183-R185 PolarHBondContact O-N 2.55Å; A183-R228 PolarHBondContact O-NH1 2.77Å
184E95.4Very high94.3Very high113 Ų11339.2 Ų39.253%0.52820%0.198SC..SBendtrans-75.585.7177.7-69.6-177.9174.800110.6G106G106-E184 CarbonylContact O-C 3.52Å; G106-E184 WeakPolarHBondContact O-CA 3.38Å; G106-E184 WeakPolarHBondContact O-CB 3.46Å
185R95.3Very high93.6Very high40 Ų4040.2 Ų40.215%0.15120%0.203CC..  trans-146.8161.8179.464.5-176.997.8153.4-2.2112.2G106 A183 N187 D188 N206 A207 R228G106-R185 VanDerWaalsContact CA-O 3.27Å; G106-R185 WeakPolarHBondContact CA-O 3.34Å; G106-R185 PolarHBondContact N-O 3.17Å; G106-R185 VanDerWaalsContact N-O 3.08Å; A183-R185 VanDerWaalsContact CB-NE 3.29Å; A183-R185 PolarHBondContact O-N 2.55Å; R185-N187 WeakPolarHBondContact CD-O 3.22Å; R185-N187 WeakPolarHBondContact CG-O 3.41Å; R185-D188 VanDerWaalsContact CD-OD1 3.26Å; R185-D188 WeakPolarHBondContact CD-OD1 3.28Å; R185-D188 IonicContact CZ-OD1 3.06Å; R185-D188 IonicContact NE-OD1 3.26Å; R185-D188 IonicContact NH1-OD1 2.89Å; R185-D188 PolarHBondContact NH1-OD1 2.94Å; R185-N206 WeakPolarHBondContact CD-OD1 3.07Å; R185-N206 PolarHBondContact NH1-O 2.82Å; R185-A207 PolarHBondContact NH1-O 3.07Å; R185-R228 WeakPolarHBondContact O-CD 3.27Å
186T96.7Very high92.9Very high77 Ų7741.8 Ų41.847%0.47222%0.215SC..SBendtrans-98.5-12.9-176.458.10000113.6S105 R228S105-T186 WeakPolarHBondContact OG-CA 3.34Å; T186-R228 PolarHBondContact O-N 2.89Å
187N96.5Very high92.1Very high47 Ų4743.3 Ų43.325%0.25122%0.22SC..EExtended strand (participates in β ladder)trans-151.2157.9-179.763.794.9000110R185 L225 C226R185-N187 WeakPolarHBondContact CD-O 3.22Å; R185-N187 WeakPolarHBondContact CG-O 3.41Å; N187-L225 HydrophobicContact CB-CD1 4.25Å; N187-L225 WeakPolarHBondContact OD1-CD1 3.45Å; N187-C226 CarbonylContact C-O 3.56Å; N187-C226 WeakPolarHBondContact CA-O 3.45Å; N187-C226 WeakPolarHBondContact CB-O 3.4Å
188D95.4Very high91.2Very high0 Ų046.7 Ų46.70%023%0.233CC..EExtended strand (participates in β ladder)trans-129.6135175.4-63-80.1000109.5Y130 I132 R185 L190 L225 C226 R228Y130-D188 WeakPolarHBondContact CE2-OD2 3.21Å; Y130-D188 PolarHBondContact OH-OD2 3.36Å; I132-D188 HydrophobicContact CG1-CB 4.26Å; I132-D188 WeakPolarHBondContact CG1-OD2 3.32Å; R185-D188 VanDerWaalsContact CD-OD1 3.26Å; R185-D188 WeakPolarHBondContact CD-OD1 3.28Å; R185-D188 IonicContact CZ-OD1 3.06Å; R185-D188 IonicContact NE-OD1 3.26Å; R185-D188 IonicContact NH1-OD1 2.89Å; R185-D188 PolarHBondContact NH1-OD1 2.94Å; D188-L190 HydrophobicContact CB-CD2 3.71Å; D188-L190 PolarHBondContact O-N 2.95Å; D188-L225 WeakPolarHBondContact O-CA 3.45Å; D188-C226 PolarHBondContact N-O 3.21Å; D188-C226 PolarHBondContact O-N 3.36Å; D188-R228 VanDerWaalsContact CG-NH2 3.35Å; D188-R228 IonicContact OD1-CZ 2.8Å; D188-R228 IonicContact OD1-NE 3.78Å; D188-R228 IonicContact OD1-NH2 2.68Å; D188-R228 PolarHBondContact OD1-NH2 3.07Å; D188-R228 IonicContact OD2-CZ 3.09Å; D188-R228 VanDerWaalsContact OD2-CZ 3.29Å; D188-R228 IonicContact OD2-NE 2.84Å; D188-R228 PolarHBondContact OD2-NE 3.29Å; D188-R228 IonicContact OD2-NH2 3.37Å; D188-R228 PolarHBondContact OD2-NH2 3.33Å; D188-R228 VanDerWaalsContact OD2-NH2 3.09Å
189L94.3Very high89.9Confident35 Ų3550.8 Ų50.818%0.18325%0.248CC..EExtended strand (participates in β ladder)trans-85.3100.5160.3178.464.3000107.6I191 V204 N206 A207 A208L189-I191 HydrophobicContact CD2-CD1 4.26Å; L189-I191 HydrophobicContact CD2-CG1 4.44Å; L189-I191 HydrophobicContact CG-CD1 4.44Å; L189-I191 HydrophobicContact CG-CG1 4.12Å; L189-V204 HydrophobicContact CD2-CB 4.05Å; L189-V204 HydrophobicContact CD2-CG1 3.59Å; L189-V204 HydrophobicContact CD2-CG2 4.42Å; L189-N206 PolarHBondContact N-O 3.25Å; L189-A207 CarbonylContact O-C 3.56Å; L189-A207 WeakPolarHBondContact O-CA 3.19Å; L189-A208 PolarHBondContact O-N 3.45Å
190L94.2Very high88.1Confident0 Ų054.8 Ų54.80%028%0.279CS..EExtended strand (participates in β ladder)trans-73.4129.3175.6-48.7-175.4000108.6I132 Y161 D188 A208 I210 W213 F218 S223 Q224 C226I132-L190 HydrophobicContact CD1-CD2 3.63Å; I132-L190 HydrophobicContact CG1-CD2 4.46Å; Y161-L190 HydrophobicContact CD2-CD1 3.62Å; Y161-L190 HydrophobicContact CD2-CD2 4.05Å; Y161-L190 HydrophobicContact CE2-CD1 3.59Å; Y161-L190 HydrophobicContact CE2-CD2 4.45Å; D188-L190 HydrophobicContact CB-CD2 3.71Å; D188-L190 PolarHBondContact O-N 2.95Å; L190-A208 HydrophobicContact CD2-CB 4.44Å; L190-I210 HydrophobicContact CB-CG1 4.1Å; L190-I210 HydrophobicContact CD2-CD1 4.12Å; L190-I210 HydrophobicContact CD2-CG1 4.2Å; L190-W213 HydrophobicContact CB-CH2 4.26Å; L190-W213 HydrophobicContact CB-CZ3 3.88Å; L190-F218 HydrophobicContact CD1-CE1 4.39Å; L190-F218 HydrophobicContact CD1-CE2 4.43Å; L190-F218 HydrophobicContact CD1-CZ 3.89Å; L190-S223 CarbonylContact O-C 3.51Å; L190-S223 WeakPolarHBondContact O-CA 3.2Å; L190-S223 VanDerWaalsContact O-CB 3.24Å; L190-S223 WeakPolarHBondContact O-CB 3.47Å; L190-Q224 PolarHBondContact N-O 3.18Å; L190-Q224 PolarHBondContact O-N 3.05Å; L190-C226 HydrophobicContact CD1-CB 4.28Å; L190-C226 VanDerWaalsContact CD1-SG 3.53Å; L190-C226 HydrophobicContact CG-CB 4.41Å
191I91.8Very high86.1Confident9 Ų963 Ų635%0.04632%0.317CS..EExtended strand (participates in β ladder)trans-124.5131.7177.9-56.1178.5000108.2L189 Y193 C196 A207 A208 I210L189-I191 HydrophobicContact CD2-CD1 4.26Å; L189-I191 HydrophobicContact CD2-CG1 4.44Å; L189-I191 HydrophobicContact CG-CD1 4.44Å; L189-I191 HydrophobicContact CG-CG1 4.12Å; I191-Y193 PolarHBondContact O-N 2.67Å; I191-C196 HydrophobicContact CG2-CB 4.13Å; I191-A207 HydrophobicContact CD1-CB 3.72Å; I191-A208 PolarHBondContact N-O 2.94Å; I191-I210 PolarHBondContact O-N 2.89Å
192N90.6Very high84.1Confident22 Ų2271.2 Ų71.212%0.11836%0.355CS..EExtended strand (participates in β ladder)trans-63.2129.8172.4-178.8-0.3000110.1E194 D195 C196 W213 Q222N192-E194 VanDerWaalsContact C-N 3.25Å; N192-E194 PolarHBondContact O-N 2.81Å; N192-E194 PolarHBondContact OD1-N 2.88Å; N192-E194 VanDerWaalsContact OD1-N 3.15Å; N192-D195 HydrophobicContact CB-CB 4.35Å; N192-D195 PolarHBondContact O-N 3.22Å; N192-C196 PolarHBondContact O-N 3.19Å; N192-W213 HydrophobicContact CB-CD2 3.71Å; N192-W213 HydrophobicContact CB-CE3 3.87Å; N192-W213 HydrophobicContact CB-CG 4.06Å; N192-W213 HydrophobicContact CB-CZ3 4.33Å; N192-Q222 PolarHBondContact N-O 3.04Å
193Y87.2Confident82.3Confident66 Ų6675.8 Ų75.826%0.25939%0.388SS..Hα-helixtrans-49-44.9175.4169.6-101.1000113T12 I191 D195 C196 L197 V209 I210 H211T12-Y193 HydrophobicContact CG2-CD1 3.63Å; T12-Y193 HydrophobicContact CG2-CE1 3.56Å; I191-Y193 PolarHBondContact O-N 2.67Å; Y193-D195 VanDerWaalsContact C-N 3.26Å; Y193-D195 PolarHBondContact O-N 2.86Å; Y193-C196 WeakPolarHBondContact O-CB 3.21Å; Y193-C196 PolarHBondContact O-N 2.95Å; Y193-L197 HydrophobicContact CD1-CD1 4.42Å; Y193-L197 HydrophobicContact CE1-CD1 3.74Å; Y193-L197 HydrophobicContact CE1-CG 4.4Å; Y193-L197 HydrophobicContact CE2-CD1 4.46Å; Y193-L197 HydrophobicContact CE2-CD2 4.23Å; Y193-L197 HydrophobicContact CE2-CG 4.35Å; Y193-L197 PolarHBondContact O-N 2.75Å; Y193-V209 HydrophobicContact CD2-CG1 4.02Å; Y193-I210 PolarHBondContact N-O 3.39Å; Y193-H211 AromaticContact CD2-CE1 3.18Å; Y193-H211 WeakPolarHBondContact CD2-CE1 3.38Å; Y193-H211 AromaticContact CD2-ND1 3.71Å; Y193-H211 AromaticContact CD2-NE2 3.5Å; Y193-H211 AromaticContact CE2-CE1 3.41Å; Y193-H211 VanDerWaalsContact CE2-CE1 3.41Å; Y193-H211 WeakPolarHBondContact CE2-CE1 3.35Å; Y193-H211 AromaticContact CG-CE1 3.95Å
194E84.8Confident81Confident120 Ų12077.3 Ų77.356%0.56140%0.395SS*.Hα-helixtrans-65.2-29.9-178.3-64.9-176.3170.400113.1N192 K198N192-E194 VanDerWaalsContact C-N 3.25Å; N192-E194 PolarHBondContact O-N 2.81Å; N192-E194 PolarHBondContact OD1-N 2.88Å; N192-E194 VanDerWaalsContact OD1-N 3.15Å; E194-K198 WeakPolarHBondContact O-CE 3.5Å
195D81.2Confident79.9Confident21 Ų2179.7 Ų79.711%0.11241%0.406CS..Hα-helixtrans-84.4-30.8176.8-69.6-31.6000111.9N192 Y193 L197 K198 R199 Q222N192-D195 HydrophobicContact CB-CB 4.35Å; N192-D195 PolarHBondContact O-N 3.22Å; Y193-D195 VanDerWaalsContact C-N 3.26Å; Y193-D195 PolarHBondContact O-N 2.86Å; D195-L197 VanDerWaalsContact C-N 3.25Å; D195-L197 PolarHBondContact O-N 2.9Å; D195-K198 WeakPolarHBondContact O-CB 3.27Å; D195-K198 PolarHBondContact O-N 3.39Å; D195-K198 IonicContact OD1-NZ 2.63Å; D195-K198 PolarHBondContact OD1-NZ 2.94Å; D195-R199 PolarHBondContact O-N 2.97Å; D195-Q222 WeakPolarHBondContact OD2-CG 3.35Å
196C80.8Confident79.2Confident45 Ų4580.1 Ų80.130%0.30441%0.411SS..Hα-helixtrans-59.3-38.3172.6-168.10000111.6I191 N192 Y193 K198 R199 V209I191-C196 HydrophobicContact CG2-CB 4.13Å; N192-C196 PolarHBondContact O-N 3.19Å; Y193-C196 WeakPolarHBondContact O-CB 3.21Å; Y193-C196 PolarHBondContact O-N 2.95Å; C196-K198 PolarHBondContact O-N 2.61Å; C196-R199 PolarHBondContact O-N 2.7Å; C196-V209 HydrophobicContact CB-CG1 3.93Å; C196-V209 HydrophobicContact CB-CG2 4.2Å; C196-V209 VanDerWaalsContact SG-CG2 3.57Å
197L76.7Confident78.8Confident120 Ų12077.8 Ų77.863%0.62840%0.4SS*.THydrogen-bonded Turntrans-62.1-21175.5-66.6177.2000113.7Y193 D195Y193-L197 HydrophobicContact CD1-CD1 4.42Å; Y193-L197 HydrophobicContact CE1-CD1 3.74Å; Y193-L197 HydrophobicContact CE1-CG 4.4Å; Y193-L197 HydrophobicContact CE2-CD1 4.46Å; Y193-L197 HydrophobicContact CE2-CD2 4.23Å; Y193-L197 HydrophobicContact CE2-CG 4.35Å; Y193-L197 PolarHBondContact O-N 2.75Å; D195-L197 VanDerWaalsContact C-N 3.25Å; D195-L197 PolarHBondContact O-N 2.9Å
198K76.8Confident78.6Confident151 Ų15175.6 Ų75.666%0.65739%0.388SS*.THydrogen-bonded Turntrans-93.9-17.6-179.8-57.7171.2-164.1154.20112.7E194 D195 C196E194-K198 WeakPolarHBondContact O-CE 3.5Å; D195-K198 WeakPolarHBondContact O-CB 3.27Å; D195-K198 PolarHBondContact O-N 3.39Å; D195-K198 IonicContact OD1-NZ 2.63Å; D195-K198 PolarHBondContact OD1-NZ 2.94Å; C196-K198 PolarHBondContact O-N 2.61Å
199R68.4Low78.5Confident111 Ų11176.4 Ų76.442%0.41939%0.393SS..SBendtrans-87127.3-178.5-69-179.7-179.2-172.91109.8D195 C196 E201D195-R199 PolarHBondContact O-N 2.97Å; C196-R199 PolarHBondContact O-N 2.7Å; R199-E201 PolarHBondContact O-N 3.04Å
200S56.8Low78.5Confident109 Ų10974.8 Ų74.876%0.76239%0.385SS*.  trans-75.3107.917052.70000110.2E202S200-E202 VanDerWaalsContact C-N 3.26Å; S200-E202 PolarHBondContact O-N 3.22Å
201E55.4Low78.5Confident197 Ų19775.8 Ų75.892%0.92139%0.389SS*.SBendtrans40.317.3156-67.9-174.4176.700121.7R199 S203R199-E201 PolarHBondContact O-N 3.04Å; E201-S203 PolarHBondContact O-N 3.35Å
202E54.8Low78.6Confident175 Ų17575.6 Ų75.682%0.81839%0.388SS*.  trans-80.295.8167.4-75.4-173.8175.900110S200 V204S200-E202 VanDerWaalsContact C-N 3.26Å; S200-E202 PolarHBondContact O-N 3.22Å; E202-V204 PolarHBondContact O-N 3.38Å
203S60.4Low78.7Confident108 Ų10875 Ų7576%0.75538%0.384SS*.  trans-61.399165-175.10000108.6E201E201-S203 PolarHBondContact O-N 3.35Å
204V66.7Low78.9Confident58 Ų5877.5 Ų77.535%0.35241%0.407SS..  trans-80.9125.3171.9-171.30000108L189 E202 N206 A207L189-V204 HydrophobicContact CD2-CB 4.05Å; L189-V204 HydrophobicContact CD2-CG1 3.59Å; L189-V204 HydrophobicContact CD2-CG2 4.42Å; E202-V204 PolarHBondContact O-N 3.38Å; V204-N206 PolarHBondContact O-N 3.15Å; V204-A207 HydrophobicContact CB-CB 4.25Å; V204-A207 WeakPolarHBondContact O-CB 3.25Å; V204-A207 PolarHBondContact O-N 3.22Å
205E73.4Confident79.2Confident162 Ų16273.9 Ų73.976%0.75740%0.398SS*.THydrogen-bonded Turntrans-51.3133.9173-164.5-174.716800109.7A207E205-A207 PolarHBondContact O-N 3.3Å
206N81.1Confident79.6Confident49 Ų4973.6 Ų73.626%0.26240%0.396SS..THydrogen-bonded Turntrans65.914.3-177.1-50-52.7000116.1R185 L189 V204R185-N206 WeakPolarHBondContact CD-OD1 3.07Å; R185-N206 PolarHBondContact NH1-O 2.82Å; L189-N206 PolarHBondContact N-O 3.25Å; V204-N206 PolarHBondContact O-N 3.15Å
207A88.6Confident80Confident29 Ų2976.7 Ų76.724%0.2442%0.418CS..EExtended strand (participates in β ladder)trans-62.7141.6168.700000111.6R185 L189 I191 V204 E205R185-A207 PolarHBondContact NH1-O 3.07Å; L189-A207 CarbonylContact O-C 3.56Å; L189-A207 WeakPolarHBondContact O-CA 3.19Å; I191-A207 HydrophobicContact CD1-CB 3.72Å; V204-A207 HydrophobicContact CB-CB 4.25Å; V204-A207 WeakPolarHBondContact O-CB 3.25Å; V204-A207 PolarHBondContact O-N 3.22Å; E205-A207 PolarHBondContact O-N 3.3Å
208A91.3Very high80.5Confident0 Ų072.4 Ų72.40%040%0.395CS..EExtended strand (participates in β ladder)trans-130.3116.5167.200000108I132 L189 L190 I191 I210I132-A208 HydrophobicContact CG1-CB 4.39Å; I132-A208 HydrophobicContact CG2-CB 3.8Å; L189-A208 PolarHBondContact O-N 3.45Å; L190-A208 HydrophobicContact CD2-CB 4.44Å; I191-A208 PolarHBondContact N-O 2.94Å; A208-I210 HydrophobicContact CB-CD1 3.73Å; A208-I210 WeakPolarHBondContact O-CG1 3.45Å; A208-I210 PolarHBondContact O-N 2.82Å
209V92.7Very high81Confident18 Ų1867.5 Ų67.511%0.10939%0.387CS..EExtended strand (participates in β ladder)trans-81.1110.9177.1-177.10000107.7Y156 S159 Y193 C196 H211Y156-V209 HydrophobicContact CE1-CB 4.26Å; Y156-V209 HydrophobicContact CE1-CG2 4.16Å; Y156-V209 PolarHBondContact OH-N 2.95Å; Y156-V209 PolarHBondContact OH-O 3.1Å; S159-V209 WeakPolarHBondContact CA-O 3.27Å; S159-V209 PolarHBondContact N-O 2.87Å; Y193-V209 HydrophobicContact CD2-CG1 4.02Å; C196-V209 HydrophobicContact CB-CG1 3.93Å; C196-V209 HydrophobicContact CB-CG2 4.2Å; C196-V209 VanDerWaalsContact SG-CG2 3.57Å; V209-H211 PolarHBondContact O-CD2 3.32Å
210I95Very high81.7Confident0 Ų070.3 Ų70.30%041%0.41CS..EExtended strand (participates in β ladder)trans-98.4114.8-169-54.3-50.6000110.2I132 L190 I191 Y193 A208 N212 W213I132-I210 HydrophobicContact CD1-CD1 4Å; L190-I210 HydrophobicContact CB-CG1 4.1Å; L190-I210 HydrophobicContact CD2-CD1 4.12Å; L190-I210 HydrophobicContact CD2-CG1 4.2Å; I191-I210 PolarHBondContact O-N 2.89Å; Y193-I210 PolarHBondContact N-O 3.39Å; A208-I210 HydrophobicContact CB-CD1 3.73Å; A208-I210 WeakPolarHBondContact O-CG1 3.45Å; A208-I210 PolarHBondContact O-N 2.82Å; I210-N212 VanDerWaalsContact CG2-OD1 3.22Å; I210-N212 WeakPolarHBondContact CG2-OD1 3.26Å; I210-W213 HydrophobicContact CB-CE3 3.91Å; I210-W213 HydrophobicContact CB-CZ3 4.39Å; I210-W213 HydrophobicContact CG1-CE3 4.4Å; I210-W213 HydrophobicContact CG1-CZ3 4.39Å; I210-W213 HydrophobicContact CG2-CE3 4.29Å
211H94.5Very high82.9Confident21 Ų2169.1 Ų69.110%0.09740%0.395CS..THydrogen-bonded Turntrans-84.3-19.5-175.7-76.8-109.4000113.8V10 T12 L13 I157 G158 S159 Y193 V209V10-H211 HydrophobicContact CG1-CB 3.46Å; V10-H211 VanDerWaalsContact CG1-CB 3.46Å; T12-H211 WeakPolarHBondContact CB-ND1 3.17Å; T12-H211 PolarHBondContact O-CE1 2.66Å; T12-H211 PolarHBondContact O-ND1 3.3Å; T12-H211 VanDerWaalsContact O-ND1 3.1Å; T12-H211 VanDerWaalsContact OG1-CB 3.24Å; T12-H211 WeakPolarHBondContact OG1-CB 3.26Å; T12-H211 PolarHBondContact OG1-ND1 3.49Å; T12-H211 PolarHBondContact OG1-O 2.88Å; L13-H211 HydrophobicContact CD1-CB 4.01Å; L13-H211 HydrophobicContact CD2-CB 4.47Å; L13-H211 HydrophobicContact CG-CB 3.8Å; I157-H211 PolarHBondContact O-NE2 3.26Å; G158-H211 VanDerWaalsContact CA-NE2 3.33Å; G158-H211 WeakPolarHBondContact CA-NE2 3.38Å; S159-H211 PolarHBondContact O-N 2.82Å; Y193-H211 AromaticContact CD2-CE1 3.18Å; Y193-H211 WeakPolarHBondContact CD2-CE1 3.38Å; Y193-H211 AromaticContact CD2-ND1 3.71Å; Y193-H211 AromaticContact CD2-NE2 3.5Å; Y193-H211 AromaticContact CE2-CE1 3.41Å; Y193-H211 VanDerWaalsContact CE2-CE1 3.41Å; Y193-H211 WeakPolarHBondContact CE2-CE1 3.35Å; Y193-H211 AromaticContact CG-CE1 3.95Å; V209-H211 PolarHBondContact O-CD2 3.32Å
212N94.6Very high84Confident5 Ų565.4 Ų65.43%0.02738%0.377CS..THydrogen-bonded Turntrans-103.435.5176.268.1-31.6000112.3V10 Y19 V160 Y161 I210 T214 A215 N216V10-N212 HydrophobicContact CG1-CB 4.32Å; V10-N212 HydrophobicContact CG2-CB 3.95Å; Y19-N212 HydrophobicContact CD1-CB 4.36Å; Y19-N212 VanDerWaalsContact CD1-ND2 3.28Å; Y19-N212 WeakPolarHBondContact CD1-ND2 3.34Å; Y19-N212 WeakPolarHBondContact CD2-ND2 3.2Å; Y19-N212 HydrophobicContact CG-CB 4.45Å; V160-N212 HydrophobicContact CG1-CB 4.44Å; V160-N212 VanDerWaalsContact CG1-ND2 3.3Å; V160-N212 WeakPolarHBondContact CG1-ND2 3.22Å; Y161-N212 PolarHBondContact N-OD1 3.25Å; Y161-N212 PolarHBondContact O-ND2 3.45Å; I210-N212 VanDerWaalsContact CG2-OD1 3.22Å; I210-N212 WeakPolarHBondContact CG2-OD1 3.26Å; N212-T214 PolarHBondContact O-N 2.86Å; N212-A215 HydrophobicContact CB-CB 4.31Å; N212-A215 PolarHBondContact O-N 3.09Å; N212-N216 VanDerWaalsContact CG-ND2 3.26Å; N212-N216 PolarHBondContact ND2-ND2 3.27Å; N212-N216 PolarHBondContact O-N 3.27Å; N212-N216 PolarHBondContact O-ND2 3.3Å
213W92.1Very high85.6Confident9 Ų959.1 Ų59.13%0.03435%0.353CS..THydrogen-bonded Turntrans-54.2-55-176.7-168.1-91.2000112.3L190 N192 I210 A215 N216 F218 G219 I221L190-W213 HydrophobicContact CB-CH2 4.26Å; L190-W213 HydrophobicContact CB-CZ3 3.88Å; N192-W213 HydrophobicContact CB-CD2 3.71Å; N192-W213 HydrophobicContact CB-CE3 3.87Å; N192-W213 HydrophobicContact CB-CG 4.06Å; N192-W213 HydrophobicContact CB-CZ3 4.33Å; I210-W213 HydrophobicContact CB-CE3 3.91Å; I210-W213 HydrophobicContact CB-CZ3 4.39Å; I210-W213 HydrophobicContact CG1-CE3 4.4Å; I210-W213 HydrophobicContact CG1-CZ3 4.39Å; I210-W213 HydrophobicContact CG2-CE3 4.29Å; W213-A215 VanDerWaalsContact C-N 3.33Å; W213-A215 PolarHBondContact O-N 3.17Å; W213-N216 PolarHBondContact O-N 3.1Å; W213-N216 VanDerWaalsContact O-N 3.1Å; W213-F218 HydrophobicContact CD2-CB 4.03Å; W213-F218 AromaticContact CD2-CD2 3.8Å; W213-F218 HydrophobicContact CD2-CD2 3.8Å; W213-F218 HydrophobicContact CD2-CG 4.31Å; W213-F218 AromaticContact CE2-CD2 3.99Å; W213-F218 AromaticContact CE3-CD2 3.98Å; W213-F218 HydrophobicContact CE3-CD2 3.98Å; W213-F218 HydrophobicContact CG-CB 4.34Å; W213-F218 HydrophobicContact CG-CD2 4.21Å; W213-F218 HydrophobicContact CH2-CB 4.47Å; W213-F218 HydrophobicContact CH2-CD2 4.41Å; W213-F218 HydrophobicContact CH2-CG 4.48Å; W213-F218 HydrophobicContact CZ2-CB 3.6Å; W213-F218 HydrophobicContact CZ2-CD2 4.25Å; W213-F218 HydrophobicContact CZ2-CG 4.06Å; W213-F218 HydrophobicContact CZ3-CD2 4.3Å; W213-G219 PolarHBondContact NE1-O 2.8Å; W213-G219 VanDerWaalsContact NE1-O 3.16Å; W213-I221 HydrophobicContact CZ2-CB 4.29Å; W213-I221 HydrophobicContact CZ2-CG2 4.43Å; W213-I221 WeakPolarHBondContact CZ2-O 3.4Å; W213-I221 PolarHBondContact NE1-O 3.34Å
214T91.1Very high87Confident120 Ų12057.6 Ų57.674%0.73633%0.334SS*.G310 helixtrans-61.3-39.4-179.6-45.50000112.3N212 N216 S217N212-T214 PolarHBondContact O-N 2.86Å; T214-N216 PolarHBondContact O-N 3.37Å; T214-S217 PolarHBondContact O-N 3.13Å
215A90.8Very high88.2Confident44 Ų4460.2 Ų60.236%0.36435%0.345SS..G310 helixtrans-67.8-14.2179.900000113.4Y19 N212 W213Y19-A215 HydrophobicContact CD1-CB 3.87Å; Y19-A215 HydrophobicContact CE1-CB 4.35Å; N212-A215 HydrophobicContact CB-CB 4.31Å; N212-A215 PolarHBondContact O-N 3.09Å; W213-A215 VanDerWaalsContact C-N 3.33Å; W213-A215 PolarHBondContact O-N 3.17Å
216N90.3Very high89.2Confident14 Ų1453.1 Ų53.18%0.07531%0.314CS..G310 helixtrans-98.72.8174.6-78-74.2000113.8Y19 Y161 N212 W213 T214 F218Y19-N216 WeakPolarHBondContact CE1-OD1 3.45Å; Y19-N216 VanDerWaalsContact CZ-OD1 3.31Å; Y19-N216 PolarHBondContact OH-OD1 3.04Å; Y161-N216 HydrophobicContact CD1-CB 4.41Å; Y161-N216 WeakPolarHBondContact CD1-OD1 3.31Å; N212-N216 VanDerWaalsContact CG-ND2 3.26Å; N212-N216 PolarHBondContact ND2-ND2 3.27Å; N212-N216 PolarHBondContact O-N 3.27Å; N212-N216 PolarHBondContact O-ND2 3.3Å; W213-N216 PolarHBondContact O-N 3.1Å; W213-N216 VanDerWaalsContact O-N 3.1Å; T214-N216 PolarHBondContact O-N 3.37Å; N216-F218 HydrophobicContact CB-CD2 3.63Å; N216-F218 HydrophobicContact CB-CE2 3.46Å; N216-F218 VanDerWaalsContact CB-CE2 3.46Å; N216-F218 HydrophobicContact CB-CG 4.29Å; N216-F218 HydrophobicContact CB-CZ 4.01Å; N216-F218 PolarHBondContact O-N 3.41Å
217S89.3Confident90Very high111 Ų11161.3 Ų61.378%0.77634%0.341SS*.THydrogen-bonded Turntrans5634.4179.1-51.30000113.5T214 G219T214-S217 PolarHBondContact O-N 3.13Å; S217-G219 PolarHBondContact O-N 3.08Å
218F87.5Confident90.4Very high29 Ų2960.9 Ų60.913%0.12733%0.333CS..  trans-68.4-9.8175.5-72.2-53.7000113.6Y161 L190 W213 N216Y161-F218 AromaticContact CD1-CE2 3.98Å; Y161-F218 HydrophobicContact CD1-CE2 3.98Å; Y161-F218 AromaticContact CD1-CZ 3.65Å; Y161-F218 HydrophobicContact CD1-CZ 3.65Å; Y161-F218 HydrophobicContact CD2-CE2 4.42Å; Y161-F218 AromaticContact CD2-CZ 3.97Å; Y161-F218 HydrophobicContact CD2-CZ 3.97Å; Y161-F218 HydrophobicContact CE1-CE1 4.44Å; Y161-F218 HydrophobicContact CE1-CE2 4.38Å; Y161-F218 AromaticContact CE1-CZ 3.61Å; Y161-F218 HydrophobicContact CE1-CZ 3.61Å; Y161-F218 AromaticContact CE2-CZ 3.96Å; Y161-F218 HydrophobicContact CE2-CZ 3.96Å; Y161-F218 AromaticContact CG-CE2 3.98Å; Y161-F218 HydrophobicContact CG-CE2 3.98Å; Y161-F218 AromaticContact CG-CZ 3.82Å; Y161-F218 HydrophobicContact CG-CZ 3.82Å; Y161-F218 AromaticContact CZ-CZ 3.76Å; L190-F218 HydrophobicContact CD1-CE1 4.39Å; L190-F218 HydrophobicContact CD1-CE2 4.43Å; L190-F218 HydrophobicContact CD1-CZ 3.89Å; W213-F218 HydrophobicContact CD2-CB 4.03Å; W213-F218 AromaticContact CD2-CD2 3.8Å; W213-F218 HydrophobicContact CD2-CD2 3.8Å; W213-F218 HydrophobicContact CD2-CG 4.31Å; W213-F218 AromaticContact CE2-CD2 3.99Å; W213-F218 AromaticContact CE3-CD2 3.98Å; W213-F218 HydrophobicContact CE3-CD2 3.98Å; W213-F218 HydrophobicContact CG-CB 4.34Å; W213-F218 HydrophobicContact CG-CD2 4.21Å; W213-F218 HydrophobicContact CH2-CB 4.47Å; W213-F218 HydrophobicContact CH2-CD2 4.41Å; W213-F218 HydrophobicContact CH2-CG 4.48Å; W213-F218 HydrophobicContact CZ2-CB 3.6Å; W213-F218 HydrophobicContact CZ2-CD2 4.25Å; W213-F218 HydrophobicContact CZ2-CG 4.06Å; W213-F218 HydrophobicContact CZ3-CD2 4.3Å; N216-F218 HydrophobicContact CB-CD2 3.63Å; N216-F218 HydrophobicContact CB-CE2 3.46Å; N216-F218 VanDerWaalsContact CB-CE2 3.46Å; N216-F218 HydrophobicContact CB-CG 4.29Å; N216-F218 HydrophobicContact CB-CZ 4.01Å; N216-F218 PolarHBondContact O-N 3.41Å
219G85.4Confident90.7Very high49 Ų4962.4 Ų62.451%0.50535%0.348SS..THydrogen-bonded Turntrans64.4-150.7179.800000112.6W213 S217 I221W213-G219 PolarHBondContact NE1-O 2.8Å; W213-G219 VanDerWaalsContact NE1-O 3.16Å; S217-G219 PolarHBondContact O-N 3.08Å; G219-I221 PolarHBondContact O-N 2.63Å
220D84.1Confident91Very high169 Ų16964.4 Ų64.490%0.90436%0.355SS*.THydrogen-bonded Turntrans-82.49.7-175.5-55.8-37.4000113.6Q222D220-Q222 PolarHBondContact O-N 3Å
221I82.2Confident91.1Very high84 Ų8465.1 Ų65.143%0.43136%0.358SS..  trans-64.1129.4173.5-60.1173.2000107.7W213 G219 S223 Q224W213-I221 HydrophobicContact CZ2-CB 4.29Å; W213-I221 HydrophobicContact CZ2-CG2 4.43Å; W213-I221 WeakPolarHBondContact CZ2-O 3.4Å; W213-I221 PolarHBondContact NE1-O 3.34Å; G219-I221 PolarHBondContact O-N 2.63Å; I221-S223 VanDerWaalsContact CG2-O 3.27Å; I221-S223 WeakPolarHBondContact CG2-O 3.38Å; I221-Q224 HydrophobicContact CG2-CB 4.35Å
222Q78.9Confident91.3Very high119 Ų11964.1 Ų64.156%0.55635%0.354SS*.SBendtrans-82.9-34-178.3-63.8-178.1-15.900112.6N192 D195 D220N192-Q222 PolarHBondContact N-O 3.04Å; D195-Q222 WeakPolarHBondContact OD2-CG 3.35Å; D220-Q222 PolarHBondContact O-N 3Å
223S87.2Confident91.5Very high44 Ų4464 Ų6431%0.30835%0.353SS..EExtended strand (participates in β ladder)trans-156.8149.7177.357.70000111.3L190 I221L190-S223 CarbonylContact O-C 3.51Å; L190-S223 WeakPolarHBondContact O-CA 3.2Å; L190-S223 VanDerWaalsContact O-CB 3.24Å; L190-S223 WeakPolarHBondContact O-CB 3.47Å; I221-S223 VanDerWaalsContact CG2-O 3.27Å; I221-S223 WeakPolarHBondContact CG2-O 3.38Å
224Q90Very high91.9Very high75 Ų7563.6 Ų63.635%0.3535%0.352SS..EExtended strand (participates in β ladder)trans-141.4132.9179.7-174.6179-14.600110.7L190 I221L190-Q224 PolarHBondContact N-O 3.18Å; L190-Q224 PolarHBondContact O-N 3.05Å; I221-Q224 HydrophobicContact CG2-CB 4.35Å
225L92.6Very high92.2Very high114 Ų11458.6 Ų58.660%0.59732%0.321SS*.EExtended strand (participates in β ladder)trans-84.3120169.9-176.566.1000109.8N187 D188N187-L225 HydrophobicContact CB-CD1 4.25Å; N187-L225 WeakPolarHBondContact OD1-CD1 3.45Å; D188-L225 WeakPolarHBondContact O-CA 3.45Å
226C94.3Very high92.6Very high13 Ų1356.5 Ų56.59%0.08830%0.304CS..EExtended strand (participates in β ladder)trans-118.5135.5-178.2-70.40000110.6Y130 N187 D188 L190Y130-C226 HydrophobicContact CE1-CB 3.72Å; Y130-C226 HydrophobicContact CE2-CB 4.47Å; Y130-C226 VanDerWaalsContact OH-C 3.26Å; Y130-C226 VanDerWaalsContact OH-CB 3.31Å; Y130-C226 WeakPolarHBondContact OH-CB 3.31Å; Y130-C226 PolarHBondContact OH-O 2.86Å; N187-C226 CarbonylContact C-O 3.56Å; N187-C226 WeakPolarHBondContact CA-O 3.45Å; N187-C226 WeakPolarHBondContact CB-O 3.4Å; D188-C226 PolarHBondContact N-O 3.21Å; D188-C226 PolarHBondContact O-N 3.36Å; L190-C226 HydrophobicContact CD1-CB 4.28Å; L190-C226 VanDerWaalsContact CD1-SG 3.53Å; L190-C226 HydrophobicContact CG-CB 4.41Å
227R96.8Very high92.9Very high220 Ų22056.2 Ų56.283%0.8330%0.302SS*.EExtended strand (participates in β ladder)trans-92.5127.7175.4-67.8-176.1178.8-178.4-0.2110.7Y130Y130-R227 WeakPolarHBondContact CE1-O 3.36Å
228R97.4Very high93.3Very high21 Ų2152.4 Ų52.48%0.07927%0.271CS..  trans-73.2131.2176.7-64.8-167-175.1-176.50.8110.4S105 Y130 A183 R185 T186 D188S105-R228 WeakPolarHBondContact CB-O 3.47Å; S105-R228 PolarHBondContact OG-O 2.67Å; Y130-R228 HydrophobicContact CE1-CG 4.45Å; Y130-R228 HydrophobicContact CE2-CG 4.18Å; Y130-R228 WeakPolarHBondContact OH-CG 3.47Å; A183-R228 PolarHBondContact O-NH1 2.77Å; R185-R228 WeakPolarHBondContact O-CD 3.27Å; T186-R228 PolarHBondContact O-N 2.89Å; D188-R228 VanDerWaalsContact CG-NH2 3.35Å; D188-R228 IonicContact OD1-CZ 2.8Å; D188-R228 IonicContact OD1-NE 3.78Å; D188-R228 IonicContact OD1-NH2 2.68Å; D188-R228 PolarHBondContact OD1-NH2 3.07Å; D188-R228 IonicContact OD2-CZ 3.09Å; D188-R228 VanDerWaalsContact OD2-CZ 3.29Å; D188-R228 IonicContact OD2-NE 2.84Å; D188-R228 PolarHBondContact OD2-NE 3.29Å; D188-R228 IonicContact OD2-NH2 3.37Å; D188-R228 PolarHBondContact OD2-NH2 3.33Å; D188-R228 VanDerWaalsContact OD2-NH2 3.09Å
229G98Very high93.7Very high31 Ų3151.2 Ų51.232%0.3227%0.265SS..  trans-98.9-170.1164.700000111.3S129 R231S129-G229 WeakPolarHBondContact OG-CA 3.33Å; S129-G229 PolarHBondContact OG-N 2.97Å; G229-R231 PolarHBondContact O-N 3.15Å
230K98.4Very high94.1Very high60 Ų6052 Ų5226%0.26126%0.261SS..  trans-65120.8170.5-179.7-177.3-61.6-126.60109.8Y37 E102 Y103 E104 N128 S129Y37-K230 VanDerWaalsContact OH-CD 3.23Å; Y37-K230 WeakPolarHBondContact OH-CD 3.06Å; E102-K230 HydrophobicContact CG-CD 4.19Å; E102-K230 HydrophobicContact CG-CG 4.04Å; E102-K230 IonicContact OE1-NZ 2.67Å; E102-K230 PolarHBondContact OE1-NZ 3.26Å; Y103-K230 CarbonylContact O-C 3.46Å; Y103-K230 WeakPolarHBondContact O-CA 3.4Å; E104-K230 VanDerWaalsContact CD-CE 3.49Å; E104-K230 WeakPolarHBondContact OE1-CE 3.38Å; E104-K230 IonicContact OE1-NZ 3.78Å; E104-K230 PolarHBondContact OE1-NZ 3.2Å; E104-K230 VanDerWaalsContact OE2-CE 3.25Å; E104-K230 WeakPolarHBondContact OE2-CE 3.37Å; E104-K230 IonicContact OE2-NZ 3.78Å; N128-K230 WeakPolarHBondContact CB-O 3.4Å; N128-K230 PolarHBondContact ND2-O 2.88Å; S129-K230 WeakPolarHBondContact CB-O 3.21Å; S129-K230 PolarHBondContact N-O 2.96Å
231R98.3Very high94.5Very high15 Ų1548.1 Ų48.16%0.05724%0.241CC..EExtended strand (participates in β ladder)trans-108.2137.5177.6173.9178.1171.1-90.83.2110.2E102 Y103 N126 Y130 G229E102-R231 WeakPolarHBondContact CA-O 3.39Å; Y103-R231 PolarHBondContact N-O 2.86Å; Y103-R231 PolarHBondContact O-N 3.02Å; N126-R231 PolarHBondContact OD1-NH2 3Å; Y130-R231 WeakPolarHBondContact O-CD 3.49Å; G229-R231 PolarHBondContact O-N 3.15Å
232V98.7Very high94.8Very high0 Ų046.3 Ų46.30%023%0.234CC..EExtended strand (participates in β ladder)trans-116.5140.2168-179.80000108.8L33 I36 Y37 V100 N101 E102 L127L33-V232 HydrophobicContact CD2-CB 4.04Å; L33-V232 HydrophobicContact CD2-CG1 4.44Å; L33-V232 HydrophobicContact CD2-CG2 3.97Å; I36-V232 HydrophobicContact CD1-CG1 4.01Å; I36-V232 HydrophobicContact CG2-CG1 4.46Å; Y37-V232 WeakPolarHBondContact OH-CG2 3.44Å; V100-V232 HydrophobicContact CG1-CG1 3.68Å; N101-V232 CarbonylContact O-C 3.45Å; N101-V232 VanDerWaalsContact O-CA 3.31Å; N101-V232 WeakPolarHBondContact O-CA 3.37Å; E102-V232 HydrophobicContact CB-CG2 4.24Å; E102-V232 HydrophobicContact CG-CG2 4.16Å; L127-V232 HydrophobicContact CB-CB 4.15Å; L127-V232 HydrophobicContact CD1-CB 4.44Å; L127-V232 HydrophobicContact CD1-CG1 4.15Å; L127-V232 PolarHBondContact N-O 2.78Å; L127-V232 PolarHBondContact O-N 3.36Å; L127-V232 VanDerWaalsContact O-N 3.07Å
233S98.7Very high95.1Very high3 Ų343.7 Ų43.72%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-130.5131.8176.466.20000110.9V100 N101 I125V100-S233 CarbonylContact C-O 3.55Å; V100-S233 WeakPolarHBondContact CA-O 3.18Å; N101-S233 PolarHBondContact N-O 2.75Å; N101-S233 PolarHBondContact O-N 2.92Å; I125-S233 CarbonylContact O-C 3.58Å; I125-S233 WeakPolarHBondContact O-CA 3.43Å
234V98.8Very high94.7Very high0 Ų050.1 Ų50.10%025%0.251CS..EExtended strand (participates in β ladder)trans-107.599177.8-175.60000108.2L32 I36 L73 V98 V100 T124 I125 L127 I236L32-V234 HydrophobicContact CD2-CG2 4.19Å; I36-V234 HydrophobicContact CD1-CG2 3.83Å; L73-V234 HydrophobicContact CD1-CG1 3.79Å; V98-V234 HydrophobicContact CG1-CG1 3.5Å; V100-V234 HydrophobicContact CG2-CG1 4.46Å; V100-V234 HydrophobicContact CG2-CG2 4.3Å; T124-V234 WeakPolarHBondContact CA-O 3.5Å; I125-V234 HydrophobicContact CB-CB 4.3Å; I125-V234 PolarHBondContact N-O 3.18Å; I125-V234 PolarHBondContact O-N 3.2Å; L127-V234 HydrophobicContact CD1-CG2 3.8Å; V234-I236 HydrophobicContact CG1-CD1 4.46Å; V234-I236 HydrophobicContact CG1-CG1 4.25Å
235T98.7Very high93.7Very high15 Ų1550.1 Ų50.19%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-91.6109.9-175.5-54.20000109.9V98 L99 V122 T124 R237V98-T235 CarbonylContact C-O 3.51Å; V98-T235 VanDerWaalsContact CA-O 3.24Å; V98-T235 WeakPolarHBondContact CA-O 3.33Å; L99-T235 PolarHBondContact N-O 2.91Å; L99-T235 WeakPolarHBondContact O-CB 3.35Å; L99-T235 PolarHBondContact O-N 3.41Å; V122-T235 HydrophobicContact CG2-CG2 3.3Å; T124-T235 PolarHBondContact OG1-OG1 2.78Å; T235-R237 HydrophobicContact CG2-CG 4.37Å
236I98.6Very high92.3Very high0 Ų048.6 Ų48.60%025%0.245CC..EExtended strand (participates in β ladder)trans-104.8126.3-174.1-62.2167.1000109.3M77 V80 A95 V98 A123 I125 V234M77-I236 HydrophobicContact CB-CG2 4.49Å; M77-I236 HydrophobicContact CG-CG1 4.48Å; M77-I236 HydrophobicContact CG-CG2 4.17Å; V80-I236 HydrophobicContact CB-CD1 4.34Å; V80-I236 HydrophobicContact CB-CG2 4.2Å; V80-I236 HydrophobicContact CG1-CB 4.47Å; V80-I236 HydrophobicContact CG1-CG2 4.04Å; V80-I236 HydrophobicContact CG2-CD1 3.66Å; A95-I236 HydrophobicContact CB-CG2 3.36Å; V98-I236 HydrophobicContact CG1-CG1 4.42Å; V98-I236 HydrophobicContact CG2-CG1 3.97Å; A123-I236 PolarHBondContact N-O 3.1Å; A123-I236 PolarHBondContact O-N 3.3Å; I125-I236 HydrophobicContact CD1-CD1 3.94Å; I125-I236 HydrophobicContact CG1-CD1 4.41Å; V234-I236 HydrophobicContact CG1-CD1 4.46Å; V234-I236 HydrophobicContact CG1-CG1 4.25Å
237R97.7Very high90.7Very high8 Ų855.9 Ų55.93%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-139.2165.3-175.1-68.7-179.6-66.4-166.75.5112.1A95 N96 H97 D114 Y118 V122 T235A95-R237 WeakPolarHBondContact CA-O 3.17Å; N96-R237 PolarHBondContact N-O 3.04Å; H97-R237 PolarHBondContact N-O 2.79Å; H97-R237 VanDerWaalsContact N-O 3.16Å; H97-R237 PolarHBondContact O-N 2.81Å; D114-R237 VanDerWaalsContact CG-NH1 3.27Å; D114-R237 IonicContact OD1-NH1 3.97Å; D114-R237 IonicContact OD2-CZ 3.73Å; D114-R237 IonicContact OD2-NH1 2.85Å; D114-R237 PolarHBondContact OD2-NH1 2.94Å; Y118-R237 HydrophobicContact CD1-CB 3.9Å; Y118-R237 HydrophobicContact CD1-CG 4.46Å; Y118-R237 HydrophobicContact CE1-CB 4.43Å; Y118-R237 VanDerWaalsContact CE2-CZ 3.49Å; Y118-R237 VanDerWaalsContact CE2-NH1 3.34Å; Y118-R237 PolarHBondContact OH-NH2 2.51Å; V122-R237 HydrophobicContact CB-CG 4.15Å; V122-R237 HydrophobicContact CG2-CG 3.79Å; T235-R237 HydrophobicContact CG2-CG 4.37Å
238Y96.8Very high89Confident32 Ų3251 Ų5113%0.12526%0.261CS..  trans-110.9126168.1171.9-124.1000109.9F86 N93 K94 N96 Y119 P240F86-Y238 HydrophobicContact CB-CD1 4.3Å; F86-Y238 HydrophobicContact CB-CG 4.32Å; N93-Y238 HydrophobicContact CB-CD1 4.01Å; N93-Y238 HydrophobicContact CB-CE1 3.74Å; N93-Y238 HydrophobicContact CB-CE2 4.31Å; N93-Y238 HydrophobicContact CB-CG 4.46Å; N93-Y238 VanDerWaalsContact CG-CZ 3.44Å; N93-Y238 VanDerWaalsContact ND2-CE1 3.33Å; N93-Y238 WeakPolarHBondContact ND2-CE1 3.49Å; N93-Y238 PolarHBondContact OD1-OH 3.06Å; K94-Y238 WeakPolarHBondContact O-CD2 3.42Å; N96-Y238 WeakPolarHBondContact ND2-CD2 3.35Å; Y119-Y238 WeakPolarHBondContact CB-O 3.42Å; Y119-Y238 HydrophobicContact CD2-CD1 4.04Å; Y119-Y238 HydrophobicContact CD2-CE1 4.34Å; Y119-Y238 AromaticContact CG-CD1 3.85Å; Y119-Y238 HydrophobicContact CG-CD1 3.85Å; Y119-Y238 PolarHBondContact N-O 2.89Å; Y238-P240 HydrophobicContact CD1-CG 4.32Å; Y238-P240 HydrophobicContact CE1-CB 4.15Å; Y238-P240 HydrophobicContact CE1-CG 3.95Å
239V96.3Very high87.1Confident3 Ų354.1 Ų54.12%0.01828%0.283CS..  trans-99116.6171.4-178.70000107.8P59 M64 N96 H97 Y118 V242P59-V239 HydrophobicContact CB-CG2 4.47Å; P59-V239 HydrophobicContact CG-CG2 3.88Å; M64-V239 HydrophobicContact CB-CG1 3.93Å; M64-V239 HydrophobicContact CE-CB 4.05Å; M64-V239 HydrophobicContact CE-CG2 4.08Å; M64-V239 HydrophobicContact SD-CB 4.41Å; M64-V239 HydrophobicContact SD-CG2 3.98Å; N96-V239 PolarHBondContact ND2-O 3.28Å; N96-V239 PolarHBondContact OD1-N 3.28Å; H97-V239 HydrophobicContact CB-CG2 3.79Å; Y118-V239 HydrophobicContact CD1-CG2 3.64Å; Y118-V239 HydrophobicContact CE1-CG2 3.65Å; V239-V242 HydrophobicContact CB-CG2 4.32Å; V239-V242 HydrophobicContact CG1-CG2 4.32Å; V239-V242 WeakPolarHBondContact O-CG2 3.24Å
240P93.7Very high85.2Confident65 Ų6557.7 Ų57.742%0.42229%0.294SS..SBendtrans-69.9-41.6-177.5-24.135.4000114.4L117 Y238 V242L117-P240 WeakPolarHBondContact O-CD 3.07Å; Y238-P240 HydrophobicContact CD1-CG 4.32Å; Y238-P240 HydrophobicContact CE1-CB 4.15Å; Y238-P240 HydrophobicContact CE1-CG 3.95Å; P240-V242 PolarHBondContact O-N 2.87Å
241N92.1Very high83.2Confident88 Ų8860.9 Ų60.947%0.47131%0.313SS..SBendtrans-90.395.8-177-174.810.5000110.8G63 M64G63-N241 CarbonylContact C-O 3.49Å; G63-N241 WeakPolarHBondContact CA-ND2 3.27Å; G63-N241 WeakPolarHBondContact CA-O 3.32Å; G63-N241 PolarHBondContact N-ND2 3.16Å; M64-N241 PolarHBondContact N-O 3.26Å
242V89.9Confident81.3Confident47 Ų4765.5 Ų65.529%0.28535%0.346SS..EExtended strand (participates in β ladder)trans-122.6129.4-176.9-179.10000111.1M64 A66 N96 V239 P240M64-V242 HydrophobicContact CE-CG2 4.15Å; M64-V242 WeakPolarHBondContact O-CA 3.28Å; A66-V242 HydrophobicContact CB-CG1 3.7Å; N96-V242 WeakPolarHBondContact ND2-CG2 3.49Å; V239-V242 HydrophobicContact CB-CG2 4.32Å; V239-V242 HydrophobicContact CG1-CG2 4.32Å; V239-V242 WeakPolarHBondContact O-CG2 3.24Å; P240-V242 PolarHBondContact O-N 2.87Å
243S84.7Confident79Confident63 Ų6376 Ų7644%0.44139%0.386SS..EExtended strand (participates in β ladder)trans-102.5136.6168.8-66.10000110M64 A66M64-S243 PolarHBondContact O-N 3.23Å; A66-S243 PolarHBondContact N-O 3.06Å; A66-S243 VanDerWaalsContact N-O 3.1Å
244K77.5Confident76.2Confident179 Ų17986.1 Ų86.178%0.77844%0.44SS*.  trans-105135.1169.1-66.7-177.9-179.3178.10108.4A66 N246A66-K244 HydrophobicContact CB-CG 4.4Å; K244-N246 PolarHBondContact O-N 2.88Å; K244-N246 VanDerWaalsContact O-N 3.11Å
245I70.1Confident75Confident76 Ų7690.4 Ų90.439%0.3946%0.462SS..  trans-66.2114167.5-58.8-174.6000107.2L65 W247 L250L65-I245 HydrophobicContact CD1-CD1 4.13Å; L65-I245 HydrophobicContact CD1-CG1 3.47Å; L65-I245 VanDerWaalsContact CD1-CG1 3.47Å; L65-I245 HydrophobicContact CD2-CD1 3.86Å; L65-I245 HydrophobicContact CD2-CG1 4.17Å; L65-I245 HydrophobicContact CG-CD1 4.49Å; L65-I245 HydrophobicContact CG-CG1 4.28Å; I245-W247 HydrophobicContact CD1-CZ2 4.36Å; I245-W247 HydrophobicContact CG2-CD2 3.78Å; I245-W247 HydrophobicContact CG2-CE3 4.14Å; I245-W247 HydrophobicContact CG2-CG 4.17Å; I245-W247 HydrophobicContact CG2-CH2 4.43Å; I245-W247 HydrophobicContact CG2-CZ2 4.09Å; I245-W247 HydrophobicContact CG2-CZ3 4.44Å; I245-W247 PolarHBondContact O-N 3.29Å; I245-L250 HydrophobicContact CG2-CD1 3.82Å
246N63.1Low73.8Confident82 Ų8294.4 Ų94.444%0.43948%0.481SS..  trans-89.298.7165.7-171.3-11.7000107.9K244 N248 T249K244-N246 PolarHBondContact O-N 2.88Å; K244-N246 VanDerWaalsContact O-N 3.11Å; N246-N248 PolarHBondContact O-N 2.92Å; N246-N248 WeakPolarHBondContact OD1-CB 2.94Å; N246-N248 PolarHBondContact OD1-N 3.45Å; N246-N248 VanDerWaalsContact OD1-N 3.15Å; N246-T249 HydrophobicContact CB-CG2 4.28Å; N246-T249 PolarHBondContact O-N 2.89Å; N246-T249 VanDerWaalsContact O-N 3.1Å; N246-T249 PolarHBondContact O-OG1 2.83Å
247W60Low72.4Confident166 Ų16699.6 Ų99.663%0.62951%0.508SS*.Hα-helixtrans-59-28.2179.5-68.7108.3000112.4I245 T249 L250 L251I245-W247 HydrophobicContact CD1-CZ2 4.36Å; I245-W247 HydrophobicContact CG2-CD2 3.78Å; I245-W247 HydrophobicContact CG2-CE3 4.14Å; I245-W247 HydrophobicContact CG2-CG 4.17Å; I245-W247 HydrophobicContact CG2-CH2 4.43Å; I245-W247 HydrophobicContact CG2-CZ2 4.09Å; I245-W247 HydrophobicContact CG2-CZ3 4.44Å; I245-W247 PolarHBondContact O-N 3.29Å; W247-T249 VanDerWaalsContact C-N 3.29Å; W247-T249 PolarHBondContact O-N 2.96Å; W247-L250 HydrophobicContact CE3-CD1 4.28Å; W247-L250 HydrophobicContact CZ3-CD1 4.48Å; W247-L250 PolarHBondContact O-N 2.99Å; W247-L251 PolarHBondContact O-N 3.37Å; W247-L251 VanDerWaalsContact O-N 3.14Å
248N61.8Low70.9Confident116 Ų116105 Ų10562%0.6254%0.536SS*.Hα-helixtrans-67.1-29.2178.6-61.3-12.6000112.2N246 C252N246-N248 PolarHBondContact O-N 2.92Å; N246-N248 WeakPolarHBondContact OD1-CB 2.94Å; N246-N248 PolarHBondContact OD1-N 3.45Å; N246-N248 VanDerWaalsContact OD1-N 3.15Å; N248-C252 PolarHBondContact O-N 3.4Å; N248-C252 PolarHBondContact O-SG 3.27Å
249T58.4Low69.3Low88 Ų88109.6 Ų109.654%0.5456%0.562SS.*Hα-helixtrans-80.6-18.2177550000113.3N246 W247N246-T249 HydrophobicContact CB-CG2 4.28Å; N246-T249 PolarHBondContact O-N 2.89Å; N246-T249 VanDerWaalsContact O-N 3.1Å; N246-T249 PolarHBondContact O-OG1 2.83Å; W247-T249 VanDerWaalsContact C-N 3.29Å; W247-T249 PolarHBondContact O-N 2.96Å
250L56.7Low67.5Low105 Ų105116.7 Ų116.755%0.5560%0.598SS.*Hα-helixtrans-85.3-33175.2-86.6148.5000112.1I245 W247I245-L250 HydrophobicContact CG2-CD1 3.82Å; W247-L250 HydrophobicContact CE3-CD1 4.28Å; W247-L250 HydrophobicContact CZ3-CD1 4.48Å; W247-L250 PolarHBondContact O-N 2.99Å
251L57.9Low65.7Low128 Ų128120.4 Ų120.467%0.6761%0.61SS**Hα-helixtrans-81.6-23.1179.8-70.3167.8000113.8W247 R253W247-L251 PolarHBondContact O-N 3.37Å; W247-L251 VanDerWaalsContact O-N 3.14Å; L251-R253 PolarHBondContact O-N 3.23Å
252C57.3Low63.6Low111 Ų111122.8 Ų122.875%0.7562%0.621SS**THydrogen-bonded Turntrans-84.614.2175.9-63.50000114.3N248N248-C252 PolarHBondContact O-N 3.4Å; N248-C252 PolarHBondContact O-SG 3.27Å
253R49.7Very low61.4Low221 Ų221129.2 Ų129.283%0.83465%0.649SS**THydrogen-bonded Turntrans-111.116.3179.8-95.7-172.4172-170.7-1.6114.4L251L251-R253 PolarHBondContact O-N 3.23Å
254N40.3Very low59.3Low215 Ų215135.2 Ų135.2100%1.1567%0.668SS**  trans-111.30168.5-71.1-16.7000110.8

Retrieved 254 of 254 residues in 255.9 ms (Link to these results)

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