A0A077Z178_TRITR Loading...

Uridine phosphorylase 1

AlphaFold DB , UniProt , Accession A0A077Z178, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 618 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
1M46.9Very low59.9Low123 Ų123102.2 Ų102.261%0.60649%0.494SS*.  050.90-67.1-172.6-178.400112.1T101 K105 I256M1-T101 HydrophobicContact CE-CG2 4.45Å; M1-K105 PolarHBondContact O-NZ 3.39Å; M1-K105 HydrophobicContact SD-CD 4.1Å; M1-I256 HydrophobicContact CE-CG1 4.41Å
2E36.3Very low62.6Low187 Ų18793.7 Ų93.787%0.87445%0.453SS*.  trans-90.40.8-162.1-70.5-178.5158.100117.8
3H38.2Very low64.5Low157 Ų15793 Ų9373%0.72744%0.444SS*.  trans-101.524.1-171-67.6-49.5000116.9
4I47.8Very low66.5Low38 Ų3886.8 Ų86.820%0.19541%0.414CS..  trans-102.4113.2-173.9-55.7-164.4000111E6 K105 E525I4-E6 HydrophobicContact CG2-CG 4.32Å; I4-E6 PolarHBondContact O-N 3.17Å; I4-K105 VanDerWaalsContact CB-NZ 3.31Å; I4-K105 HydrophobicContact CD1-CD 3.19Å; I4-K105 HydrophobicContact CD1-CG 4.46Å; I4-K105 HydrophobicContact CG1-CD 4.26Å; I4-E525 HydrophobicContact CB-CB 4.19Å; I4-E525 HydrophobicContact CD1-CB 3.49Å; I4-E525 VanDerWaalsContact CD1-CB 3.49Å; I4-E525 WeakPolarHBondContact CD1-O 3.1Å; I4-E525 HydrophobicContact CG1-CB 3.66Å; I4-E525 WeakPolarHBondContact CG1-O 3.44Å; I4-E525 HydrophobicContact CG2-CB 3.75Å; I4-E525 HydrophobicContact CG2-CG 4.04Å
5K51Low68.4Low168 Ų16881 Ų8173%0.7339%0.386SS*.  trans-75.4110.1151.7-74.8-170.5175.8-173.30106.2R7K5-R7 PolarHBondContact O-N 3.3Å
6E54.8Low69.9Low145 Ų14577.3 Ų77.368%0.67838%0.376SS*.  trans-58.9119.9176.9-69.9178.1172.300109.3I4I4-E6 HydrophobicContact CG2-CG 4.32Å; I4-E6 PolarHBondContact O-N 3.17Å
7R61.6Low71.3Confident66 Ų6673.1 Ų73.125%0.24936%0.356CS..  trans-83.7135.9166.6-76-175173.2-157-7.5108.3K5 D10 E582 T584K5-R7 PolarHBondContact O-N 3.3Å; R7-D10 HydrophobicContact CB-CB 4.34Å; R7-E582 IonicContact CZ-OE2 2.97Å; R7-E582 IonicContact NH1-OE2 2.64Å; R7-E582 IonicContact NH2-OE1 2.64Å; R7-E582 IonicContact NH2-OE2 3.29Å; R7-E582 PolarHBondContact NH2-OE2 3.49Å; R7-T584 VanDerWaalsContact NH1-CG2 3.32Å
8N66.5Low72.5Confident141 Ų14169.1 Ų69.175%0.75434%0.337SS*.SBendtrans-134.3114.7171.9-166.49.2000109.7
9P82.4Confident73.5Confident64 Ų6467.2 Ų67.242%0.41633%0.33SS..SBendcis-79.7147-1.334.4-35.4000112.8T19 E20P9-T19 WeakPolarHBondContact CA-OG1 3.48Å; P9-E20 HydrophobicContact CB-CB 3.78Å
10D86.4Confident74.4Confident11 Ų1170.3 Ų70.36%0.05934%0.343CS..  trans-100.8144.5168.2-166.68.8000110.2R7 S18 T19 K102 H106R7-D10 HydrophobicContact CB-CB 4.34Å; D10-S18 CarbonylContact O-C 3.52Å; D10-S18 WeakPolarHBondContact O-CA 3.47Å; D10-S18 WeakPolarHBondContact O-CB 3.35Å; D10-T19 HydrophobicContact CB-CG2 4.17Å; D10-T19 PolarHBondContact N-OG1 3.29Å; D10-T19 PolarHBondContact O-N 2.95Å; D10-K102 IonicContact OD1-NZ 3.45Å; D10-K102 PolarHBondContact OD1-NZ 2.93Å; D10-K102 WeakPolarHBondContact OD2-CE 3.3Å; D10-K102 IonicContact OD2-NZ 3.82Å; D10-K102 PolarHBondContact OD2-NZ 3.34Å; D10-H106 WeakPolarHBondContact CB-NE2 3.45Å; D10-H106 IonicContact OD2-CD2 3.53Å; D10-H106 IonicContact OD2-CE1 3.96Å; D10-H106 IonicContact OD2-NE2 2.87Å; D10-H106 PolarHBondContact OD2-NE2 2.81Å
11V87.7Confident75.2Confident24 Ų2471.7 Ų71.715%0.14535%0.349CS..EExtended strand (participates in β ladder)trans-124.2122.6-173.2-175.40000110Y13V11-Y13 HydrophobicContact CB-CE1 4.2Å; V11-Y13 HydrophobicContact CB-CE2 4.4Å; V11-Y13 HydrophobicContact CG1-CD1 3.82Å; V11-Y13 HydrophobicContact CG1-CE1 3.7Å; V11-Y13 HydrophobicContact CG1-CG 4.26Å; V11-Y13 PolarHBondContact O-N 2.65Å
12L91.8Very high77.4Confident0 Ų067.5 Ų67.50%033%0.33CS..EExtended strand (participates in β ladder)trans-91.689.7170.7-50.5-177.1000107.5H14 F15 G16 L17 F24 E99 K102 L103L12-H14 VanDerWaalsContact C-N 3.32Å; L12-H14 PolarHBondContact O-N 2.92Å; L12-F15 HydrophobicContact CB-CB 4.17Å; L12-F15 HydrophobicContact CB-CD2 4.43Å; L12-F15 HydrophobicContact CD1-CD2 4.11Å; L12-F15 PolarHBondContact O-N 2.79Å; L12-G16 WeakPolarHBondContact O-CA 3.36Å; L12-G16 PolarHBondContact O-N 2.96Å; L12-L17 HydrophobicContact CB-CB 4.34Å; L12-L17 HydrophobicContact CD1-CB 4.31Å; L12-L17 PolarHBondContact N-O 3.41Å; L12-L17 PolarHBondContact O-N 2.99Å; L12-F24 HydrophobicContact CD1-CE2 3.97Å; L12-F24 HydrophobicContact CD1-CZ 3.93Å; L12-F24 HydrophobicContact CG-CE2 4.42Å; L12-F24 HydrophobicContact CG-CZ 4.43Å; L12-E99 VanDerWaalsContact C-OE2 3.27Å; L12-E99 HydrophobicContact CB-CB 4.41Å; L12-E99 HydrophobicContact CB-CG 4.41Å; L12-E99 WeakPolarHBondContact CB-OE2 3.39Å; L12-E99 HydrophobicContact CD2-CB 4.38Å; L12-E99 HydrophobicContact CD2-CG 4.5Å; L12-K102 HydrophobicContact CD2-CB 3.71Å; L12-K102 HydrophobicContact CD2-CD 4.21Å; L12-L103 HydrophobicContact CD1-CB 3.72Å; L12-L103 HydrophobicContact CD1-CD1 4.11Å; L12-L103 HydrophobicContact CD1-CG 4.32Å
13Y87.6Confident80.3Confident85 Ų8563.4 Ų63.433%0.33332%0.315SS..THydrogen-bonded Turntrans-60.7-39-167.9-73.4-70.6000113.6V11 E99 D583V11-Y13 HydrophobicContact CB-CE1 4.2Å; V11-Y13 HydrophobicContact CB-CE2 4.4Å; V11-Y13 HydrophobicContact CG1-CD1 3.82Å; V11-Y13 HydrophobicContact CG1-CE1 3.7Å; V11-Y13 HydrophobicContact CG1-CG 4.26Å; V11-Y13 PolarHBondContact O-N 2.65Å; Y13-E99 PolarHBondContact N-OE1 3.33Å; Y13-D583 VanDerWaalsContact CZ-O 3.24Å; Y13-D583 PolarHBondContact OH-O 3.16Å
14H92.1Very high83Confident6 Ų656.3 Ų56.33%0.02828%0.281CS..THydrogen-bonded Turntrans-85.8-25-176.1-59.281.5000112.4L12 S70 R72 F73 I95 E99 Y516L12-H14 VanDerWaalsContact C-N 3.32Å; L12-H14 PolarHBondContact O-N 2.92Å; H14-S70 VanDerWaalsContact O-CB 3.27Å; H14-S70 WeakPolarHBondContact O-CB 3.34Å; H14-S70 PolarHBondContact O-OG 3.13Å; H14-R72 PolarHBondContact CD2-NH1 2.79Å; H14-R72 PolarHBondContact NE2-NH1 2.93Å; H14-R72 VanDerWaalsContact NE2-NH1 3.12Å; H14-F73 HydrophobicContact CB-CD2 3.74Å; H14-F73 HydrophobicContact CB-CE2 3.53Å; H14-I95 HydrophobicContact CB-CG2 3.71Å; H14-I95 WeakPolarHBondContact ND1-CG2 3.5Å; H14-E99 WeakPolarHBondContact CA-OE2 3.37Å; H14-E99 WeakPolarHBondContact CB-OE1 3.49Å; H14-E99 IonicContact CE1-OE1 2.71Å; H14-E99 IonicContact CG-OE1 3.24Å; H14-E99 PolarHBondContact N-OE1 3.2Å; H14-E99 PolarHBondContact N-OE2 3.03Å; H14-E99 IonicContact ND1-OE1 3.43Å; H14-E99 PolarHBondContact ND1-OE1 2.98Å; H14-Y516 AromaticContact CE1-CD1 3.74Å; H14-Y516 AromaticContact CE1-CE1 3.45Å; H14-Y516 VanDerWaalsContact CE1-CE1 3.45Å; H14-Y516 WeakPolarHBondContact CE1-CE1 3.37Å; H14-Y516 AromaticContact CE1-CZ 3.65Å
15F94.5Very high85.3Confident0 Ų060.1 Ų60.10%030%0.297CS..THydrogen-bonded Turntrans-80.9-21.1166.4-64.5-17.5000112.6L12 L17 C68 K69 F73 V84 M96 E99 I100L12-F15 HydrophobicContact CB-CB 4.17Å; L12-F15 HydrophobicContact CB-CD2 4.43Å; L12-F15 HydrophobicContact CD1-CD2 4.11Å; L12-F15 PolarHBondContact O-N 2.79Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 HydrophobicContact CB-CB 4.41Å; F15-L17 HydrophobicContact CB-CD1 4.11Å; F15-L17 HydrophobicContact CB-CG 4.13Å; F15-C68 CarbonylContact O-C 3.42Å; F15-C68 WeakPolarHBondContact O-CA 3.48Å; F15-C68 WeakPolarHBondContact O-CB 2.85Å; F15-K69 PolarHBondContact O-N 3.34Å; F15-F73 HydrophobicContact CD1-CB 3.9Å; F15-F73 AromaticContact CD1-CD2 3.73Å; F15-F73 HydrophobicContact CD1-CD2 3.73Å; F15-F73 HydrophobicContact CD1-CG 4.14Å; F15-F73 HydrophobicContact CE1-CB 3.93Å; F15-F73 AromaticContact CE1-CD2 3.69Å; F15-F73 HydrophobicContact CE1-CD2 3.69Å; F15-F73 HydrophobicContact CE1-CE2 4.4Å; F15-F73 AromaticContact CE1-CG 3.92Å; F15-F73 HydrophobicContact CE1-CG 3.92Å; F15-V84 HydrophobicContact CE1-CG2 4.08Å; F15-V84 HydrophobicContact CZ-CG2 3.99Å; F15-M96 HydrophobicContact CE1-CG 4.28Å; F15-M96 HydrophobicContact CZ-CG 4.08Å; F15-E99 HydrophobicContact CD2-CB 3.82Å; F15-E99 HydrophobicContact CE2-CB 3.62Å; F15-E99 HydrophobicContact CG-CB 4.37Å; F15-E99 HydrophobicContact CZ-CB 3.99Å; F15-E99 PolarHBondContact N-OE2 3.03Å; F15-I100 HydrophobicContact CE2-CB 4.07Å; F15-I100 HydrophobicContact CE2-CD1 4.04Å; F15-I100 HydrophobicContact CZ-CB 4.2Å; F15-I100 HydrophobicContact CZ-CD1 4.45Å
16G92.6Very high87.6Confident22 Ų2256.6 Ų56.623%0.22729%0.293CS..THydrogen-bonded Turntrans68.534.3-173.400000112.4L12 K69L12-G16 WeakPolarHBondContact O-CA 3.36Å; L12-G16 PolarHBondContact O-N 2.96Å; G16-K69 WeakPolarHBondContact O-CB 3.5Å; G16-K69 VanDerWaalsContact O-CD 3.31Å; G16-K69 WeakPolarHBondContact O-CD 3.48Å; G16-K69 WeakPolarHBondContact O-CG 3.32Å
17L93.6Very high89.6Confident6 Ų651.9 Ų51.93%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-118153.5-179.6-66.2176.7000110.4L12 F15 V22 F24 L67 L75 L103L12-L17 HydrophobicContact CB-CB 4.34Å; L12-L17 HydrophobicContact CD1-CB 4.31Å; L12-L17 PolarHBondContact N-O 3.41Å; L12-L17 PolarHBondContact O-N 2.99Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 HydrophobicContact CB-CB 4.41Å; F15-L17 HydrophobicContact CB-CD1 4.11Å; F15-L17 HydrophobicContact CB-CG 4.13Å; L17-V22 HydrophobicContact CD2-CG2 4.27Å; L17-F24 HydrophobicContact CB-CE1 4.26Å; L17-F24 HydrophobicContact CB-CZ 4.02Å; L17-L67 WeakPolarHBondContact CD2-O 3.38Å; L17-L75 HydrophobicContact CD1-CD2 4.24Å; L17-L103 HydrophobicContact CD1-CD1 4.14Å
18S92.9Very high91.3Very high1 Ų149 Ų491%0.00727%0.266CS..EExtended strand (participates in β ladder)trans-150.1154173.262.50000111.6D10 E20 Q21 V22D10-S18 CarbonylContact O-C 3.52Å; D10-S18 WeakPolarHBondContact O-CA 3.47Å; D10-S18 WeakPolarHBondContact O-CB 3.35Å; S18-E20 PolarHBondContact O-N 3.33Å; S18-E20 VanDerWaalsContact O-N 3.17Å; S18-Q21 PolarHBondContact O-N 3.03Å; S18-Q21 VanDerWaalsContact OG-CG 3.29Å; S18-Q21 WeakPolarHBondContact OG-CG 2.98Å; S18-V22 PolarHBondContact O-N 3.02Å
19T92.3Very high92.8Very high33 Ų3344 Ų4420%0.20225%0.247CC..THydrogen-bonded Turntrans-62.5-21.1176.858.40000112.9P9 D10 F24 H106P9-T19 WeakPolarHBondContact CA-OG1 3.48Å; D10-T19 HydrophobicContact CB-CG2 4.17Å; D10-T19 PolarHBondContact N-OG1 3.29Å; D10-T19 PolarHBondContact O-N 2.95Å; T19-F24 HydrophobicContact CG2-CD2 3.77Å; T19-F24 HydrophobicContact CG2-CE2 3.78Å; T19-H106 HydrophobicContact CG2-CB 4.38Å
20E92Very high93.5Very high129 Ų12944.5 Ų44.560%0.60325%0.246SC*.THydrogen-bonded Turntrans-70-32.3172.1-167-179.6-171.800113.5P9 S18 K586P9-E20 HydrophobicContact CB-CB 3.78Å; S18-E20 PolarHBondContact O-N 3.33Å; S18-E20 VanDerWaalsContact O-N 3.17Å; E20-K586 IonicContact OE2-NZ 3.5Å
21Q90.9Very high94.1Very high99 Ų9944.2 Ų44.246%0.46325%0.245SC..THydrogen-bonded Turntrans-100.1-21.7-168.7-70.3176.76.300112.9S18S18-Q21 PolarHBondContact O-N 3.03Å; S18-Q21 VanDerWaalsContact OG-CG 3.29Å; S18-Q21 WeakPolarHBondContact OG-CG 2.98Å
22V93.6Very high94.5Very high36 Ų3649.4 Ų49.422%0.21827%0.266CS..SBendtrans-143.3127.7-176-177.70000107.5L17 S18 F24 S27 F28L17-V22 HydrophobicContact CD2-CG2 4.27Å; S18-V22 PolarHBondContact O-N 3.02Å; V22-F24 HydrophobicContact CB-CD1 3.87Å; V22-F24 HydrophobicContact CB-CE1 3.8Å; V22-F24 HydrophobicContact CG1-CD1 3.89Å; V22-F24 HydrophobicContact CG1-CE1 4.19Å; V22-F24 WeakPolarHBondContact O-CD1 3.35Å; V22-F24 PolarHBondContact O-N 3.34Å; V22-S27 WeakPolarHBondContact CG1-OG 3.32Å; V22-F28 HydrophobicContact CG1-CE2 4.28Å
23D95.6Very high94.8Very high101 Ų10153.1 Ų53.154%0.5428%0.282SS..  trans-68.999.2166.8179.8-12.9000108.6K25 S26 S27D23-K25 VanDerWaalsContact C-N 3.3Å; D23-K25 PolarHBondContact O-N 3.45Å; D23-K25 PolarHBondContact OD1-N 3.2Å; D23-S26 VanDerWaalsContact CG-CB 3.44Å; D23-S26 PolarHBondContact O-N 2.94Å; D23-S26 PolarHBondContact OD1-N 3.37Å; D23-S26 VanDerWaalsContact OD2-CB 3.27Å; D23-S26 WeakPolarHBondContact OD2-CB 3.49Å; D23-S27 WeakPolarHBondContact O-CB 3.45Å; D23-S27 PolarHBondContact O-N 3.09Å; D23-S27 PolarHBondContact O-OG 3.44Å
24F96.5Very high95.4Very high7 Ų749 Ų493%0.03127%0.266CS..Hα-helixtrans-65.6-33.3-177.6-71.8-7.8000112.5L12 L17 T19 V22 S27 F28 H106 A107L12-F24 HydrophobicContact CD1-CE2 3.97Å; L12-F24 HydrophobicContact CD1-CZ 3.93Å; L12-F24 HydrophobicContact CG-CE2 4.42Å; L12-F24 HydrophobicContact CG-CZ 4.43Å; L17-F24 HydrophobicContact CB-CE1 4.26Å; L17-F24 HydrophobicContact CB-CZ 4.02Å; T19-F24 HydrophobicContact CG2-CD2 3.77Å; T19-F24 HydrophobicContact CG2-CE2 3.78Å; V22-F24 HydrophobicContact CB-CD1 3.87Å; V22-F24 HydrophobicContact CB-CE1 3.8Å; V22-F24 HydrophobicContact CG1-CD1 3.89Å; V22-F24 HydrophobicContact CG1-CE1 4.19Å; V22-F24 WeakPolarHBondContact O-CD1 3.35Å; V22-F24 PolarHBondContact O-N 3.34Å; F24-S27 PolarHBondContact O-N 3.08Å; F24-F28 HydrophobicContact CB-CD2 4.27Å; F24-F28 HydrophobicContact CD1-CD2 4.12Å; F24-F28 AromaticContact CD1-CE2 3.9Å; F24-F28 HydrophobicContact CD1-CE2 3.9Å; F24-F28 HydrophobicContact CE1-CE2 4.36Å; F24-F28 HydrophobicContact CG-CD2 4.41Å; F24-F28 WeakPolarHBondContact O-CB 3.38Å; F24-F28 PolarHBondContact O-N 2.92Å; F24-H106 HydrophobicContact CB-CB 4.2Å; F24-H106 HydrophobicContact CD2-CB 3.63Å; F24-H106 HydrophobicContact CG-CB 4.43Å; F24-A107 HydrophobicContact CB-CB 4.37Å; F24-A107 WeakPolarHBondContact O-CB 3.39Å
25K96.1Very high95.6Very high118 Ų11849.8 Ų49.851%0.51327%0.27SS..Hα-helixtrans-67.5-48.6178.6-178173.5176.4166.90110.7D23 S27 G29D23-K25 VanDerWaalsContact C-N 3.3Å; D23-K25 PolarHBondContact O-N 3.45Å; D23-K25 PolarHBondContact OD1-N 3.2Å; K25-S27 VanDerWaalsContact C-N 3.34Å; K25-S27 PolarHBondContact O-N 3.16Å; K25-G29 WeakPolarHBondContact O-CA 3.13Å; K25-G29 PolarHBondContact O-N 3.42Å
26S97.5Very high95.8Very high95 Ų9549.8 Ų49.866%0.66427%0.27SS*.Hα-helixtrans-64.8-38.7175.8179.60000112.2D23D23-S26 VanDerWaalsContact CG-CB 3.44Å; D23-S26 PolarHBondContact O-N 2.94Å; D23-S26 PolarHBondContact OD1-N 3.37Å; D23-S26 VanDerWaalsContact OD2-CB 3.27Å; D23-S26 WeakPolarHBondContact OD2-CB 3.49Å
27S97.1Very high95.9Very high45 Ų4548.7 Ų48.732%0.31526%0.259SS..Hα-helixtrans-83.1-27.8-172.3-55.90000114.5V22 D23 F24 K25 K77V22-S27 WeakPolarHBondContact CG1-OG 3.32Å; D23-S27 WeakPolarHBondContact O-CB 3.45Å; D23-S27 PolarHBondContact O-N 3.09Å; D23-S27 PolarHBondContact O-OG 3.44Å; F24-S27 PolarHBondContact O-N 3.08Å; K25-S27 VanDerWaalsContact C-N 3.34Å; K25-S27 PolarHBondContact O-N 3.16Å; S27-K77 WeakPolarHBondContact O-CD 3.47Å; S27-K77 WeakPolarHBondContact O-CE 3.36Å
28F98Very high95.9Very high7 Ų749.1 Ų49.13%0.03127%0.265CS..Hα-helixtrans-134.1-0.9-170.2-55.8-76.8000114.6V22 F24 D30 V31 L67 K77 L82 L103 A107 V109V22-F28 HydrophobicContact CG1-CE2 4.28Å; F24-F28 HydrophobicContact CB-CD2 4.27Å; F24-F28 HydrophobicContact CD1-CD2 4.12Å; F24-F28 AromaticContact CD1-CE2 3.9Å; F24-F28 HydrophobicContact CD1-CE2 3.9Å; F24-F28 HydrophobicContact CE1-CE2 4.36Å; F24-F28 HydrophobicContact CG-CD2 4.41Å; F24-F28 WeakPolarHBondContact O-CB 3.38Å; F24-F28 PolarHBondContact O-N 2.92Å; F28-D30 PolarHBondContact O-N 2.95Å; F28-D30 VanDerWaalsContact O-N 3.1Å; F28-V31 HydrophobicContact CB-CG2 4.19Å; F28-V31 WeakPolarHBondContact O-CB 3.45Å; F28-V31 WeakPolarHBondContact O-CG2 2.81Å; F28-V31 PolarHBondContact O-N 2.71Å; F28-L67 HydrophobicContact CE1-CD1 3.81Å; F28-L67 HydrophobicContact CZ-CD1 4.01Å; F28-K77 HydrophobicContact CD1-CD 3.99Å; F28-K77 HydrophobicContact CE1-CD 4.27Å; F28-L82 HydrophobicContact CD1-CD1 4.32Å; F28-L82 HydrophobicContact CD1-CD2 3.97Å; F28-L82 HydrophobicContact CE1-CD2 4.09Å; F28-L103 HydrophobicContact CB-CD2 3.83Å; F28-L103 HydrophobicContact CD1-CD2 3.92Å; F28-L103 HydrophobicContact CD2-CD1 4.32Å; F28-L103 HydrophobicContact CD2-CD2 3.69Å; F28-L103 HydrophobicContact CD2-CG 4.09Å; F28-L103 HydrophobicContact CE1-CD1 4.4Å; F28-L103 HydrophobicContact CE1-CD2 4.38Å; F28-L103 HydrophobicContact CE2-CD1 3.98Å; F28-L103 HydrophobicContact CE2-CD2 4.2Å; F28-L103 HydrophobicContact CE2-CG 4.23Å; F28-L103 HydrophobicContact CG-CD2 3.55Å; F28-L103 HydrophobicContact CG-CG 4.43Å; F28-L103 HydrophobicContact CZ-CD1 4.03Å; F28-A107 HydrophobicContact CB-CB 3.7Å; F28-V109 WeakPolarHBondContact O-CG2 3.5Å
29G97.8Very high95.8Very high36 Ų3650.6 Ų50.637%0.37128%0.275SS..THydrogen-bonded Turntrans-63.9-15.3-176.500000115K25 A107K25-G29 WeakPolarHBondContact O-CA 3.13Å; K25-G29 PolarHBondContact O-N 3.42Å; G29-A107 WeakPolarHBondContact CA-O 3.29Å
30D97.5Very high95.8Very high73 Ų7350.6 Ų50.639%0.3928%0.279SS..THydrogen-bonded Turntrans-89.8-1.7176.469.2-39.1000114F28 K32 K77 P80F28-D30 PolarHBondContact O-N 2.95Å; F28-D30 VanDerWaalsContact O-N 3.1Å; D30-K32 PolarHBondContact O-N 3.23Å; D30-K77 WeakPolarHBondContact OD1-CE 3.08Å; D30-K77 IonicContact OD1-NZ 2.81Å; D30-K77 PolarHBondContact OD1-NZ 3.04Å; D30-K77 IonicContact OD2-NZ 3.78Å; D30-K77 PolarHBondContact OD2-NZ 2.91Å; D30-P80 WeakPolarHBondContact O-CA 3.21Å; D30-P80 WeakPolarHBondContact O-CB 3.37Å
31V98.4Very high95.7Very high5 Ų546.4 Ų46.43%0.0326%0.264CS..  trans-66.8133-176.7173.70000110.9F28 P80 L82 L104 V109F28-V31 HydrophobicContact CB-CG2 4.19Å; F28-V31 WeakPolarHBondContact O-CB 3.45Å; F28-V31 WeakPolarHBondContact O-CG2 2.81Å; F28-V31 PolarHBondContact O-N 2.71Å; V31-P80 WeakPolarHBondContact CA-O 3.39Å; V31-L82 HydrophobicContact CG1-CD1 4.06Å; V31-L82 HydrophobicContact CG1-CG 3.92Å; V31-L82 HydrophobicContact CG2-CD1 3.97Å; V31-L82 HydrophobicContact CG2-CD2 4.08Å; V31-L82 HydrophobicContact CG2-CG 3.73Å; V31-L104 HydrophobicContact CB-CD2 3.89Å; V31-L104 HydrophobicContact CG1-CD2 3.7Å; V31-L104 HydrophobicContact CG2-CD2 4.37Å; V31-V109 HydrophobicContact CB-CG2 4.2Å; V31-V109 WeakPolarHBondContact O-CG1 3.49Å
32K97.3Very high95.6Very high134 Ų13442.5 Ų42.558%0.58325%0.245SC*.  trans-120.2-27.2175.6-63.9-178.1179.7-1780112.7D30 P80 P112 L113D30-K32 PolarHBondContact O-N 3.23Å; K32-P80 HydrophobicContact CB-CB 4.26Å; K32-P80 HydrophobicContact CD-CB 4.35Å; K32-P80 HydrophobicContact CG-CB 4.14Å; K32-P80 PolarHBondContact N-O 3.17Å; K32-P112 WeakPolarHBondContact O-CA 2.92Å; K32-L113 PolarHBondContact O-N 2.85Å
33F97.8Very high95.6Very high77 Ų7740.8 Ų40.834%0.33823%0.234SC..EExtended strand (participates in β ladder)trans-131.2135.3-173.7-54.8-85000111.1P80 V81 L82 L113 F115F33-P80 PolarHBondContact N-O 2.88Å; F33-P80 VanDerWaalsContact N-O 3.17Å; F33-V81 HydrophobicContact CB-CG1 4.23Å; F33-V81 HydrophobicContact CB-CG2 4.2Å; F33-V81 HydrophobicContact CD2-CG2 4.1Å; F33-V81 WeakPolarHBondContact O-CA 3.16Å; F33-L82 PolarHBondContact O-N 3.23Å; F33-L113 WeakPolarHBondContact CA-O 3.42Å; F33-L113 HydrophobicContact CD1-CB 4.1Å; F33-L113 HydrophobicContact CD1-CD1 4.37Å; F33-L113 HydrophobicContact CE1-CB 4.49Å; F33-L113 HydrophobicContact CE1-CD1 3.95Å; F33-F115 AromaticContact CD1-CE2 3.9Å; F33-F115 HydrophobicContact CD1-CE2 3.9Å
34V98.4Very high95.6Very high0 Ų038.4 Ų38.40%022%0.221CC..EExtended strand (participates in β ladder)trans-115.4113.7167.9-179.70000108.4L82 V84 I100 L104 L113 F114 F115V34-L82 HydrophobicContact CG2-CB 4.41Å; V34-V84 HydrophobicContact CG1-CG1 4.01Å; V34-I100 HydrophobicContact CG1-CG1 4.15Å; V34-I100 HydrophobicContact CG2-CG1 4.4Å; V34-L104 HydrophobicContact CG2-CD1 3.74Å; V34-L113 PolarHBondContact N-O 2.98Å; V34-F114 HydrophobicContact CB-CD1 3.71Å; V34-F114 HydrophobicContact CB-CE1 3.79Å; V34-F114 HydrophobicContact CB-CG 4.11Å; V34-F114 HydrophobicContact CB-CZ 4.26Å; V34-F114 HydrophobicContact CG2-CD1 3.81Å; V34-F114 HydrophobicContact CG2-CE1 3.4Å; V34-F114 VanDerWaalsContact CG2-CE1 3.4Å; V34-F114 HydrophobicContact CG2-CZ 3.91Å; V34-F114 WeakPolarHBondContact O-CA 3.41Å; V34-F115 PolarHBondContact O-N 2.81Å
35L98.2Very high95.4Very high21 Ų2142 Ų4211%0.1124%0.235CC..EExtended strand (participates in β ladder)trans-96.6125.5170-49-173.1000108I46 V50 V81 L82 C83 V84 F115 I117L35-I46 HydrophobicContact CD1-CG2 3.78Å; L35-V50 HydrophobicContact CD1-CG2 3.94Å; L35-V81 HydrophobicContact CD1-CG1 3.94Å; L35-V81 HydrophobicContact CG-CG1 3.81Å; L35-L82 PolarHBondContact N-O 2.82Å; L35-C83 CarbonylContact O-C 3.54Å; L35-C83 VanDerWaalsContact O-CA 3.3Å; L35-C83 WeakPolarHBondContact O-CA 3.4Å; L35-V84 PolarHBondContact O-N 3.27Å; L35-F115 CarbonylContact C-O 3.59Å; L35-F115 WeakPolarHBondContact CA-O 3.47Å; L35-F115 HydrophobicContact CD2-CB 3.76Å; L35-F115 HydrophobicContact CD2-CD2 3.82Å; L35-F115 HydrophobicContact CD2-CG 4.05Å; L35-I117 HydrophobicContact CB-CD1 4.24Å; L35-I117 HydrophobicContact CD1-CD1 4.3Å; L35-I117 HydrophobicContact CD2-CD1 4.22Å; L35-I117 HydrophobicContact CG-CD1 4.48Å
36C98Very high95.2Very high0 Ų036.4 Ų36.40%021%0.21CC..EExtended strand (participates in β ladder)trans-131.4150.7178.668.20000112.7V84 M96 F115 R116 I117 F247C36-V84 WeakPolarHBondContact CA-O 3.17Å; C36-V84 HydrophobicContact CB-CG1 3.69Å; C36-V84 WeakPolarHBondContact CB-O 3.21Å; C36-M96 HydrophobicContact CB-CE 3.69Å; C36-M96 HydrophobicContact CB-SD 4.47Å; C36-F115 PolarHBondContact N-O 3.04Å; C36-F115 PolarHBondContact SG-O 3.28Å; C36-F115 VanDerWaalsContact SG-O 3.4Å; C36-R116 CarbonylContact O-C 3.56Å; C36-R116 WeakPolarHBondContact O-CA 3.31Å; C36-I117 PolarHBondContact O-N 2.98Å; C36-F247 VanDerWaalsContact SG-CE2 3.52Å
37G95.3Very high95.1Very high0 Ų031.9 Ų31.90%018%0.179CC..EExtended strand (participates in β ladder)trans-167.8168.5179.500000112.4M43 V84 N85 H86 I117G37-M43 PolarHBondContact N-SD 2.86Å; G37-M43 VanDerWaalsContact N-SD 3.36Å; G37-V84 PolarHBondContact N-O 3.39Å; G37-N85 CarbonylContact O-C 3.57Å; G37-N85 WeakPolarHBondContact O-CA 2.99Å; G37-N85 WeakPolarHBondContact O-CB 3.28Å; G37-H86 VanDerWaalsContact C-CD2 3.41Å; G37-H86 WeakPolarHBondContact CA-NE2 3.25Å; G37-H86 PolarHBondContact O-CD2 2.91Å; G37-H86 PolarHBondContact O-N 2.73Å; G37-I117 WeakPolarHBondContact CA-O 3.46Å
38G92.8Very high94.9Very high15 Ų1533.7 Ų33.716%0.15518%0.182CC..SBendtrans-69.6-44.5-169.700000115.5N85 H86 G87G38-N85 PolarHBondContact O-ND2 3Å; G38-H86 VanDerWaalsContact CA-CE1 3.49Å; G38-H86 WeakPolarHBondContact CA-CE1 3.29Å; G38-H86 PolarHBondContact N-CE1 3.29Å; G38-H86 PolarHBondContact N-NE2 3.5Å; G38-G87 WeakPolarHBondContact CA-O 3.44Å; G38-G87 PolarHBondContact O-N 3.39Å
39S91Very high94.5Very high31 Ų3136.4 Ų36.422%0.21720%0.195CC..  trans-84.6125.4-173.3169.10000113.2S41 R42 M43S39-S41 PolarHBondContact O-N 3.09Å; S39-S41 PolarHBondContact OG-N 3.36Å; S39-S41 PolarHBondContact OG-OG 3.21Å; S39-R42 PolarHBondContact O-N 2.86Å; S39-R42 PolarHBondContact OG-N 2.91Å; S39-M43 WeakPolarHBondContact O-CG 3.49Å; S39-M43 PolarHBondContact O-N 3.06Å
40A91.5Very high94.2Very high34 Ų3435.3 Ų35.328%0.28118%0.181SC..Hα-helixtrans-58.3-46.917400000112.8R42 M43 L44 V74 N85A40-R42 VanDerWaalsContact C-N 3.31Å; A40-R42 PolarHBondContact O-N 3.27Å; A40-M43 PolarHBondContact O-N 2.76Å; A40-L44 PolarHBondContact O-N 3.47Å; A40-V74 HydrophobicContact CB-CB 4.48Å; A40-V74 HydrophobicContact CB-CG1 3.81Å; A40-V74 HydrophobicContact CB-CG2 3.77Å; A40-N85 HydrophobicContact CB-CB 4.44Å
41S90.1Very high94Very high41 Ų4132 Ų3229%0.28716%0.164SC..Hα-helixtrans-63.7-35.4177.455.40000112.7S39 L44 R45S39-S41 PolarHBondContact O-N 3.09Å; S39-S41 PolarHBondContact OG-N 3.36Å; S39-S41 PolarHBondContact OG-OG 3.21Å; S41-L44 PolarHBondContact O-N 3.06Å; S41-R45 WeakPolarHBondContact O-CG 3.4Å; S41-R45 PolarHBondContact O-N 2.74Å; S41-R45 VanDerWaalsContact O-N 3.13Å
42R89.7Confident93.6Very high17 Ų1738.1 Ų38.16%0.06419%0.19CC..Hα-helixtrans-68.1-38.6176.2-171.7166.563.2-154.82.5110.7S39 A40 R45 I46 T119S39-R42 PolarHBondContact O-N 2.86Å; S39-R42 PolarHBondContact OG-N 2.91Å; A40-R42 VanDerWaalsContact C-N 3.31Å; A40-R42 PolarHBondContact O-N 3.27Å; R42-R45 PolarHBondContact O-N 3.1Å; R42-I46 HydrophobicContact CG-CD1 4.28Å; R42-I46 WeakPolarHBondContact O-CG1 3.18Å; R42-I46 PolarHBondContact O-N 3.44Å; R42-T119 VanDerWaalsContact NH1-CG2 3.34Å; R42-T119 PolarHBondContact NH1-OG1 3.21Å; R42-T119 VanDerWaalsContact NH1-OG1 3.08Å
43M93.8Very high93.1Very high0 Ų034.8 Ų34.80%018%0.176CC..Hα-helixtrans-67.2-35.2177.1-66.2-52.398.100112.6G37 S39 A40 I46 A47 V74 N85G37-M43 PolarHBondContact N-SD 2.86Å; G37-M43 VanDerWaalsContact N-SD 3.36Å; S39-M43 WeakPolarHBondContact O-CG 3.49Å; S39-M43 PolarHBondContact O-N 3.06Å; A40-M43 PolarHBondContact O-N 2.76Å; M43-I46 HydrophobicContact CE-CD1 3.56Å; M43-I46 PolarHBondContact O-N 3.11Å; M43-I46 HydrophobicContact SD-CD1 4.42Å; M43-A47 WeakPolarHBondContact O-CB 3.47Å; M43-A47 PolarHBondContact O-N 2.8Å; M43-V74 HydrophobicContact CB-CG2 4.34Å; M43-N85 HydrophobicContact CG-CB 3.83Å
44L94.1Very high92.8Very high50 Ų5034.7 Ų34.726%0.26218%0.179SC..Hα-helixtrans-61.5-50.1170.7176.957.7000111.5A40 S41 I46 A47 E48 L64 Y76A40-L44 PolarHBondContact O-N 3.47Å; S41-L44 PolarHBondContact O-N 3.06Å; L44-I46 VanDerWaalsContact C-N 3.29Å; L44-I46 PolarHBondContact O-N 3.25Å; L44-A47 WeakPolarHBondContact O-CB 3.4Å; L44-A47 PolarHBondContact O-N 2.81Å; L44-E48 HydrophobicContact CD1-CG 4.2Å; L44-E48 WeakPolarHBondContact O-CG 3.07Å; L44-E48 PolarHBondContact O-N 2.8Å; L44-L64 HydrophobicContact CD1-CB 4.25Å; L44-Y76 HydrophobicContact CB-CE2 3.78Å; L44-Y76 HydrophobicContact CD1-CD1 4.23Å; L44-Y76 HydrophobicContact CD1-CE1 3.77Å; L44-Y76 HydrophobicContact CD1-CE2 4.16Å
45R92.2Very high92.5Very high84 Ų8440.9 Ų40.932%0.31721%0.212SC..Hα-helixtrans-58.6-40.5177.2-68.7-168.3-58.9-93.49.8112.5S41 R42 E49 E285 M286S41-R45 WeakPolarHBondContact O-CG 3.4Å; S41-R45 PolarHBondContact O-N 2.74Å; S41-R45 VanDerWaalsContact O-N 3.13Å; R42-R45 PolarHBondContact O-N 3.1Å; R45-E49 WeakPolarHBondContact O-CB 3.09Å; R45-E49 PolarHBondContact O-N 2.98Å; R45-E49 VanDerWaalsContact O-N 3.09Å; R45-E285 IonicContact NH2-OE2 2.8Å; R45-E285 PolarHBondContact NH2-OE2 2.69Å; R45-M286 HydrophobicContact CB-CE 4.27Å; R45-M286 HydrophobicContact CB-SD 4.32Å
46I92.6Very high92Very high0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-64.7-42.7175.6-70.8178.8000110.5L35 R42 M43 L44 E49 V50 I117 M286L35-I46 HydrophobicContact CD1-CG2 3.78Å; R42-I46 HydrophobicContact CG-CD1 4.28Å; R42-I46 WeakPolarHBondContact O-CG1 3.18Å; R42-I46 PolarHBondContact O-N 3.44Å; M43-I46 HydrophobicContact CE-CD1 3.56Å; M43-I46 PolarHBondContact O-N 3.11Å; M43-I46 HydrophobicContact SD-CD1 4.42Å; L44-I46 VanDerWaalsContact C-N 3.29Å; L44-I46 PolarHBondContact O-N 3.25Å; I46-E49 PolarHBondContact O-N 3.31Å; I46-V50 HydrophobicContact CG2-CG2 4.32Å; I46-V50 VanDerWaalsContact O-CG2 3.29Å; I46-V50 WeakPolarHBondContact O-CG2 3.27Å; I46-V50 PolarHBondContact O-N 3.21Å; I46-I117 HydrophobicContact CD1-CB 4.49Å; I46-I117 HydrophobicContact CD1-CD1 4.49Å; I46-I117 HydrophobicContact CD1-CG2 4.07Å; I46-M286 HydrophobicContact CG1-CE 4.32Å
47A94.9Very high91.4Very high0 Ų051.5 Ų51.50%026%0.263CS..Hα-helixtrans-62.7-45.1178.500000111.9M43 L44 E49 V50 A51 L64 Y76 C78 C83M43-A47 WeakPolarHBondContact O-CB 3.47Å; M43-A47 PolarHBondContact O-N 2.8Å; L44-A47 WeakPolarHBondContact O-CB 3.4Å; L44-A47 PolarHBondContact O-N 2.81Å; A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.39Å; A47-V50 PolarHBondContact O-N 3.41Å; A47-A51 WeakPolarHBondContact O-CB 3.44Å; A47-A51 PolarHBondContact O-N 2.84Å; A47-L64 HydrophobicContact CB-CD1 3.58Å; A47-Y76 HydrophobicContact CB-CD2 4.27Å; A47-Y76 HydrophobicContact CB-CG 4.17Å; A47-C78 PolarHBondContact O-SG 2.77Å; A47-C83 HydrophobicContact CB-CB 3.8Å
48E93.6Very high90.8Very high83 Ų8355.5 Ų55.539%0.38828%0.284SS..Hα-helixtrans-59.5-41.3175.1-69.6174.2158.600111.8L44 A51 K52 L64L44-E48 HydrophobicContact CD1-CG 4.2Å; L44-E48 WeakPolarHBondContact O-CG 3.07Å; L44-E48 PolarHBondContact O-N 2.8Å; E48-A51 PolarHBondContact O-N 3.22Å; E48-K52 WeakPolarHBondContact O-CG 3.47Å; E48-K52 PolarHBondContact O-N 3.05Å; E48-L64 HydrophobicContact CG-CD1 3.96Å
49E90.5Very high90.6Very high64 Ų6459 Ų5930%0.29930%0.304SS..Hα-helixtrans-68.1-39.6177.5-167.363.5-174.900112.2R45 I46 A47 A51 K52 E53 K292R45-E49 WeakPolarHBondContact O-CB 3.09Å; R45-E49 PolarHBondContact O-N 2.98Å; R45-E49 VanDerWaalsContact O-N 3.09Å; I46-E49 PolarHBondContact O-N 3.31Å; A47-E49 VanDerWaalsContact C-N 3.29Å; A47-E49 PolarHBondContact O-N 3.39Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-K52 PolarHBondContact O-N 3.45Å; E49-K52 IonicContact OE2-NZ 3.36Å; E49-E53 WeakPolarHBondContact O-CG 3.4Å; E49-E53 PolarHBondContact O-N 2.89Å; E49-K292 HydrophobicContact CG-CD 4.29Å
50V91.6Very high90.5Very high12 Ų1269.1 Ų69.17%0.07334%0.339CS..Hα-helixtrans-63-41.9173.21690000110.8L35 I46 A47 K52 E53 L54 C78 V81L35-V50 HydrophobicContact CD1-CG2 3.94Å; I46-V50 HydrophobicContact CG2-CG2 4.32Å; I46-V50 VanDerWaalsContact O-CG2 3.29Å; I46-V50 WeakPolarHBondContact O-CG2 3.27Å; I46-V50 PolarHBondContact O-N 3.21Å; A47-V50 PolarHBondContact O-N 3.41Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 2.88Å; V50-E53 PolarHBondContact O-N 3.31Å; V50-L54 HydrophobicContact CG1-CD1 3.75Å; V50-L54 HydrophobicContact CG1-CG 4.25Å; V50-L54 WeakPolarHBondContact O-CB 3.48Å; V50-L54 WeakPolarHBondContact O-CG 3.43Å; V50-L54 PolarHBondContact O-N 3.25Å; V50-C78 HydrophobicContact CB-CB 4.43Å; V50-C78 HydrophobicContact CG1-CB 3.85Å; V50-V81 HydrophobicContact CG1-CB 3.85Å; V50-V81 HydrophobicContact CG1-CG1 4.06Å; V50-V81 HydrophobicContact CG1-CG2 3.82Å
51A92.3Very high90.5Very high4 Ų471.1 Ų71.13%0.03336%0.363CS..Hα-helixtrans-61.7-41.2177.900000112.2A47 E48 E49 N55 L56 C78A47-A51 WeakPolarHBondContact O-CB 3.44Å; A47-A51 PolarHBondContact O-N 2.84Å; E48-A51 PolarHBondContact O-N 3.22Å; E49-A51 VanDerWaalsContact C-N 3.34Å; A51-N55 PolarHBondContact O-N 3.41Å; A51-L56 HydrophobicContact CB-CB 4.39Å; A51-L56 HydrophobicContact CB-CD1 4.16Å; A51-L56 PolarHBondContact O-N 3.01Å; A51-C78 HydrophobicContact CB-CB 4.34Å
52K90.8Very high90.5Very high134 Ų13472.6 Ų72.658%0.58337%0.371SS*.Hα-helixtrans-62.6-48.6174.1-69.9170.9-168.1167.90111.9E48 E49 V50 L54 N55E48-K52 WeakPolarHBondContact O-CG 3.47Å; E48-K52 PolarHBondContact O-N 3.05Å; E49-K52 PolarHBondContact O-N 3.45Å; E49-K52 IonicContact OE2-NZ 3.36Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 2.88Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.24Å; K52-N55 WeakPolarHBondContact O-CA 3.47Å; K52-N55 PolarHBondContact O-N 3.19Å
53E86.8Confident90.6Very high64 Ų6480 Ų8030%0.29941%0.406SS..Hα-helixtrans-64.6-35.4-179-75.2-64.6156.700112.8E49 V50 N55 R293E49-E53 WeakPolarHBondContact O-CG 3.4Å; E49-E53 PolarHBondContact O-N 2.89Å; V50-E53 PolarHBondContact O-N 3.31Å; E53-N55 PolarHBondContact O-N 3.01Å; E53-R293 IonicContact OE1-NE 3.89Å; E53-R293 WeakPolarHBondContact OE2-CD 3.21Å; E53-R293 IonicContact OE2-CZ 3.79Å; E53-R293 IonicContact OE2-NE 2.96Å; E53-R293 PolarHBondContact OE2-NE 2.68Å
54L91.2Very high90.6Very high75 Ų7581.1 Ų81.139%0.39341%0.412SS..THydrogen-bonded Turntrans-77.53.2174.1-67.6178.9000113.3V50 K52 L56 C78 V81V50-L54 HydrophobicContact CG1-CD1 3.75Å; V50-L54 HydrophobicContact CG1-CG 4.25Å; V50-L54 WeakPolarHBondContact O-CB 3.48Å; V50-L54 WeakPolarHBondContact O-CG 3.43Å; V50-L54 PolarHBondContact O-N 3.25Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 3.24Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 HydrophobicContact CB-CD2 4.16Å; L54-L56 HydrophobicContact CB-CG 3.8Å; L54-L56 HydrophobicContact CD1-CD1 4.37Å; L54-L56 PolarHBondContact O-N 3.49Å; L54-C78 WeakPolarHBondContact CD1-O 3.28Å; L54-V81 HydrophobicContact CD1-CG2 4.15Å
55N91Very high90.6Very high130 Ų13086.4 Ų86.470%0.69543%0.432SS*.THydrogen-bonded Turntrans50.336.4-174.4-60.5-70.6000113.1A51 K52 E53 Q57A51-N55 PolarHBondContact O-N 3.41Å; K52-N55 WeakPolarHBondContact O-CA 3.47Å; K52-N55 PolarHBondContact O-N 3.19Å; E53-N55 PolarHBondContact O-N 3.01Å; N55-Q57 PolarHBondContact O-N 2.94Å
56L88.9Confident90.8Very high66 Ų6684.8 Ų84.835%0.34643%0.43SS..  trans-70114.8177.6-59.4-179.4000108.8A51 L54 L58 C78A51-L56 HydrophobicContact CB-CB 4.39Å; A51-L56 HydrophobicContact CB-CD1 4.16Å; A51-L56 PolarHBondContact O-N 3.01Å; L54-L56 HydrophobicContact CB-CD1 4.31Å; L54-L56 HydrophobicContact CB-CD2 4.16Å; L54-L56 HydrophobicContact CB-CG 3.8Å; L54-L56 HydrophobicContact CD1-CD1 4.37Å; L54-L56 PolarHBondContact O-N 3.49Å; L56-L58 PolarHBondContact O-N 3.28Å; L56-C78 HydrophobicContact CD1-CB 3.95Å
57Q83.9Confident91Very high177 Ų17787.3 Ų87.383%0.82744%0.443SS*.  trans-70.598.5175.3-62.6-65.9-31.500108.9N55 P59N55-Q57 PolarHBondContact O-N 2.94Å; Q57-P59 WeakPolarHBondContact O-CD 3.46Å
58L84.1Confident91Very high84 Ų8487.9 Ų87.944%0.4445%0.447SS..PPolyproline II helixtrans-82120167.8-65.5177000107.9L56 Y60 L64L56-L58 PolarHBondContact O-N 3.28Å; L58-Y60 PolarHBondContact O-N 3.09Å; L58-L64 HydrophobicContact CD2-CD2 4.48Å
59P88.2Confident90.9Very high88 Ų8890.2 Ų90.257%0.57146%0.456SS*.PPolyproline II helixtrans-54.4143.1176.3-24.733000111.5Q57 G61 T62Q57-P59 WeakPolarHBondContact O-CD 3.46Å; P59-G61 PolarHBondContact O-N 3.1Å; P59-T62 HydrophobicContact CB-CG2 3.85Å; P59-T62 WeakPolarHBondContact CD-OG1 3.37Å; P59-T62 HydrophobicContact CG-CG2 4.24Å; P59-T62 WeakPolarHBondContact O-CB 3.34Å; P59-T62 WeakPolarHBondContact O-CG2 3.49Å; P59-T62 PolarHBondContact O-N 3.47Å; P59-T62 PolarHBondContact O-OG1 2.64Å
60Y89.5Confident90.5Very high244 Ų24488.6 Ų88.696%0.95745%0.452SS*.THydrogen-bonded Turntrans-53.1130.7178.4178.3-97.7000110.8L58L58-Y60 PolarHBondContact O-N 3.09Å
61G91Very high90.1Very high77 Ų7791.8 Ų91.879%0.79447%0.469SS*.THydrogen-bonded Turntrans83.92.4-175.200000115.3P59P59-G61 PolarHBondContact O-N 3.1Å
62T90.6Very high89.7Confident72 Ų7295.7 Ų95.744%0.44248%0.482SS..  trans-98.6156.5172.768.50000112P59P59-T62 HydrophobicContact CB-CG2 3.85Å; P59-T62 WeakPolarHBondContact CD-OG1 3.37Å; P59-T62 HydrophobicContact CG-CG2 4.24Å; P59-T62 WeakPolarHBondContact O-CB 3.34Å; P59-T62 WeakPolarHBondContact O-CG2 3.49Å; P59-T62 PolarHBondContact O-N 3.47Å; P59-T62 PolarHBondContact O-OG1 2.64Å
63Q90.6Very high89.9Confident171 Ų17189.5 Ų89.580%0.79946%0.455SS*.  trans-138.1160.1175.563.9-177.9-7.500110.6K65Q63-K65 PolarHBondContact O-N 3.03Å
64L93.3Very high90.3Very high24 Ų2487.3 Ų87.313%0.12645%0.446CS..PPolyproline II helixtrans-60.2126172.5-68.3177.2000109.9L44 A47 E48 L58 Y76L44-L64 HydrophobicContact CD1-CB 4.25Å; A47-L64 HydrophobicContact CB-CD1 3.58Å; E48-L64 HydrophobicContact CG-CD1 3.96Å; L58-L64 HydrophobicContact CD2-CD2 4.48Å; L64-Y76 HydrophobicContact CB-CD1 4.02Å
65K94.3Very high90.6Very high161 Ų16183.7 Ų83.770%0.743%0.428SS*.PPolyproline II helixtrans-90.9131.6-179.9-177.2176.7179.1178.80110.2Q63 L67 Y76Q63-K65 PolarHBondContact O-N 3.03Å; K65-L67 PolarHBondContact O-N 3.02Å; K65-Y76 WeakPolarHBondContact O-CD1 3.42Å
66N96.4Very high90.9Very high51 Ų5178.5 Ų78.527%0.27340%0.398SS..PPolyproline II helixtrans-65.5119.3164.8-179.313.3000109C68 V74 L75 Y76N66-C68 WeakPolarHBondContact OD1-CB 3.45Å; N66-C68 PolarHBondContact OD1-N 3.5Å; N66-V74 VanDerWaalsContact OD1-CA 3.27Å; N66-V74 WeakPolarHBondContact OD1-CA 3.32Å; N66-L75 PolarHBondContact OD1-N 3Å; N66-Y76 HydrophobicContact CB-CE1 3.96Å
67L97.2Very high91.3Very high53 Ų5378 Ų7828%0.27739%0.393SS..  trans-80.9-20-179.8-57.3-179.2000112.5L17 F28 K65 L75 K77L17-L67 WeakPolarHBondContact CD2-O 3.38Å; F28-L67 HydrophobicContact CE1-CD1 3.81Å; F28-L67 HydrophobicContact CZ-CD1 4.01Å; K65-L67 PolarHBondContact O-N 3.02Å; L67-L75 HydrophobicContact CB-CB 4.32Å; L67-L75 HydrophobicContact CB-CD2 4.3Å; L67-L75 HydrophobicContact CB-CG 4.31Å; L67-L75 WeakPolarHBondContact CB-O 3.46Å; L67-L75 HydrophobicContact CD1-CG 4.41Å; L67-L75 WeakPolarHBondContact CG-O 3.49Å; L67-L75 PolarHBondContact N-O 3.33Å; L67-K77 HydrophobicContact CD1-CB 4.04Å
68C95.4Very high91.8Very high11 Ų1169.6 Ų69.67%0.07435%0.354CS..  trans-69.3141.4174.4-66.80000111.1F15 N66 F73 L75F15-C68 CarbonylContact O-C 3.42Å; F15-C68 WeakPolarHBondContact O-CA 3.48Å; F15-C68 WeakPolarHBondContact O-CB 2.85Å; N66-C68 WeakPolarHBondContact OD1-CB 3.45Å; N66-C68 PolarHBondContact OD1-N 3.5Å; C68-F73 WeakPolarHBondContact CB-O 3.41Å; C68-L75 WeakPolarHBondContact SG-CB 3.45Å
69K90.6Very high92.3Very high132 Ų13266.6 Ų66.657%0.57434%0.344SS*.  trans-103.22.1174.6-53.1-174.6-171.6171.90113F15 G16F15-K69 PolarHBondContact O-N 3.34Å; G16-K69 WeakPolarHBondContact O-CB 3.5Å; G16-K69 VanDerWaalsContact O-CD 3.31Å; G16-K69 WeakPolarHBondContact O-CD 3.48Å; G16-K69 WeakPolarHBondContact O-CG 3.32Å
70S84Confident92.7Very high31 Ų3164.2 Ų64.222%0.21733%0.328CS..SBendtrans-101.6169.1172.897.40000110.8H14 R72H14-S70 VanDerWaalsContact O-CB 3.27Å; H14-S70 WeakPolarHBondContact O-CB 3.34Å; H14-S70 PolarHBondContact O-OG 3.13Å; S70-R72 PolarHBondContact OG-N 3.45Å
71D81.4Confident93Very high79 Ų7953.1 Ų53.142%0.42229%0.286SS..SBendtrans-91.73.517964.8-16.8000114.3S365 N367D71-S365 WeakPolarHBondContact OD2-CB 3.38Å; D71-S365 PolarHBondContact OD2-OG 3.03Å; D71-N367 WeakPolarHBondContact CB-ND2 3.3Å; D71-N367 WeakPolarHBondContact OD2-CB 3.38Å; D71-N367 PolarHBondContact OD2-ND2 2.92Å
72R84.4Confident93.4Very high85 Ų8549.4 Ų49.432%0.32125%0.248SC..SBendtrans-97.5-34.2-172.1-55.6-166.5-171157.15.4113.8H14 S70 L414H14-R72 PolarHBondContact CD2-NH1 2.79Å; H14-R72 PolarHBondContact NE2-NH1 2.93Å; H14-R72 VanDerWaalsContact NE2-NH1 3.12Å; S70-R72 PolarHBondContact OG-N 3.45Å; R72-L414 HydrophobicContact CB-CD1 4.46Å
73F94.3Very high93.7Very high4 Ų446 Ų462%0.01823%0.227CC..  trans-128.6152.8-177.2-60.9-58.6000111.2H14 F15 C68 N85 I95 M96 L414H14-F73 HydrophobicContact CB-CD2 3.74Å; H14-F73 HydrophobicContact CB-CE2 3.53Å; F15-F73 HydrophobicContact CD1-CB 3.9Å; F15-F73 AromaticContact CD1-CD2 3.73Å; F15-F73 HydrophobicContact CD1-CD2 3.73Å; F15-F73 HydrophobicContact CD1-CG 4.14Å; F15-F73 HydrophobicContact CE1-CB 3.93Å; F15-F73 AromaticContact CE1-CD2 3.69Å; F15-F73 HydrophobicContact CE1-CD2 3.69Å; F15-F73 HydrophobicContact CE1-CE2 4.4Å; F15-F73 AromaticContact CE1-CG 3.92Å; F15-F73 HydrophobicContact CE1-CG 3.92Å; C68-F73 WeakPolarHBondContact CB-O 3.41Å; F73-N85 WeakPolarHBondContact CA-OD1 3.39Å; F73-N85 WeakPolarHBondContact CD1-O 3.3Å; F73-I95 HydrophobicContact CE2-CB 4.49Å; F73-I95 HydrophobicContact CE2-CG2 3.71Å; F73-I95 HydrophobicContact CZ-CB 4.38Å; F73-I95 HydrophobicContact CZ-CG2 4.08Å; F73-M96 HydrophobicContact CE1-CB 4.18Å; F73-M96 HydrophobicContact CZ-CB 4.12Å; F73-L414 HydrophobicContact CE2-CD1 4.48Å; F73-L414 HydrophobicContact CZ-CD1 4.11Å
74V95.7Very high94.1Very high18 Ų1837.9 Ų37.911%0.10919%0.189CC..  trans-113141.3165.4-57.30000108.5A40 M43 N66 Y76 V84 N85A40-V74 HydrophobicContact CB-CB 4.48Å; A40-V74 HydrophobicContact CB-CG1 3.81Å; A40-V74 HydrophobicContact CB-CG2 3.77Å; M43-V74 HydrophobicContact CB-CG2 4.34Å; N66-V74 VanDerWaalsContact OD1-CA 3.27Å; N66-V74 WeakPolarHBondContact OD1-CA 3.32Å; V74-Y76 HydrophobicContact CB-CE2 3.72Å; V74-Y76 HydrophobicContact CG2-CD2 4.32Å; V74-Y76 HydrophobicContact CG2-CE2 3.59Å; V74-V84 WeakPolarHBondContact O-CA 3.37Å; V74-V84 WeakPolarHBondContact O-CG2 3.42Å; V74-N85 HydrophobicContact CG2-CB 4Å; V74-N85 WeakPolarHBondContact CG2-OD1 3.44Å; V74-N85 PolarHBondContact N-OD1 3.48Å; V74-N85 PolarHBondContact O-N 3.07Å; V74-N85 VanDerWaalsContact O-N 3.17Å
75L98.3Very high94.3Very high0 Ų037.2 Ų37.20%019%0.186CC..EExtended strand (participates in β ladder)trans-136.7120.4175.6176.564.6000108.6L17 N66 L67 C68 L82 V84 I100 L103L17-L75 HydrophobicContact CD1-CD2 4.24Å; N66-L75 PolarHBondContact OD1-N 3Å; L67-L75 HydrophobicContact CB-CB 4.32Å; L67-L75 HydrophobicContact CB-CD2 4.3Å; L67-L75 HydrophobicContact CB-CG 4.31Å; L67-L75 WeakPolarHBondContact CB-O 3.46Å; L67-L75 HydrophobicContact CD1-CG 4.41Å; L67-L75 WeakPolarHBondContact CG-O 3.49Å; L67-L75 PolarHBondContact N-O 3.33Å; C68-L75 WeakPolarHBondContact SG-CB 3.45Å; L75-L82 HydrophobicContact CD1-CB 4.21Å; L75-L82 HydrophobicContact CD1-CD1 4.43Å; L75-L82 HydrophobicContact CD1-CD2 4.29Å; L75-V84 HydrophobicContact CD1-CB 3.81Å; L75-V84 HydrophobicContact CD1-CG2 4.12Å; L75-I100 HydrophobicContact CD1-CD1 4.05Å; L75-L103 HydrophobicContact CD2-CD1 4.07Å
76Y97.9Very high94.4Very high21 Ų2129.6 Ų29.68%0.08215%0.152CC..EExtended strand (participates in β ladder)trans-118141.4176.5-55-77.2000109.7L44 A47 L64 K65 N66 V74 L82 C83L44-Y76 HydrophobicContact CB-CE2 3.78Å; L44-Y76 HydrophobicContact CD1-CD1 4.23Å; L44-Y76 HydrophobicContact CD1-CE1 3.77Å; L44-Y76 HydrophobicContact CD1-CE2 4.16Å; A47-Y76 HydrophobicContact CB-CD2 4.27Å; A47-Y76 HydrophobicContact CB-CG 4.17Å; L64-Y76 HydrophobicContact CB-CD1 4.02Å; K65-Y76 WeakPolarHBondContact O-CD1 3.42Å; N66-Y76 HydrophobicContact CB-CE1 3.96Å; V74-Y76 HydrophobicContact CB-CE2 3.72Å; V74-Y76 HydrophobicContact CG2-CD2 4.32Å; V74-Y76 HydrophobicContact CG2-CE2 3.59Å; Y76-L82 CarbonylContact O-C 3.16Å; Y76-L82 WeakPolarHBondContact O-CA 3.42Å; Y76-C83 PolarHBondContact N-O 3.07Å; Y76-C83 PolarHBondContact O-N 2.79Å
77K97.2Very high94.2Very high54 Ų5428.1 Ų28.124%0.23515%0.149CC..EExtended strand (participates in β ladder)trans-114.1127.1173.8-175.1174.3-168.1-72.40110S27 F28 D30 L67 G79 V81 L82S27-K77 WeakPolarHBondContact O-CD 3.47Å; S27-K77 WeakPolarHBondContact O-CE 3.36Å; F28-K77 HydrophobicContact CD1-CD 3.99Å; F28-K77 HydrophobicContact CE1-CD 4.27Å; D30-K77 WeakPolarHBondContact OD1-CE 3.08Å; D30-K77 IonicContact OD1-NZ 2.81Å; D30-K77 PolarHBondContact OD1-NZ 3.04Å; D30-K77 IonicContact OD2-NZ 3.78Å; D30-K77 PolarHBondContact OD2-NZ 2.91Å; L67-K77 HydrophobicContact CD1-CB 4.04Å; K77-G79 WeakPolarHBondContact CE-O 3.35Å; K77-G79 PolarHBondContact NZ-O 2.87Å; K77-V81 WeakPolarHBondContact CA-O 3.43Å; K77-L82 HydrophobicContact CB-CD2 3.69Å; K77-L82 HydrophobicContact CD-CD2 4.19Å; K77-L82 HydrophobicContact CG-CD2 3.76Å
78C94.6Very high94.1Very high1 Ų127.1 Ų27.11%0.00714%0.144CC..EExtended strand (participates in β ladder)trans-127.993.1176.8-590000108.4A47 V50 A51 L54 L56 V81A47-C78 PolarHBondContact O-SG 2.77Å; V50-C78 HydrophobicContact CB-CB 4.43Å; V50-C78 HydrophobicContact CG1-CB 3.85Å; A51-C78 HydrophobicContact CB-CB 4.34Å; L54-C78 WeakPolarHBondContact CD1-O 3.28Å; L56-C78 HydrophobicContact CD1-CB 3.95Å; C78-V81 PolarHBondContact N-O 2.84Å; C78-V81 PolarHBondContact O-N 2.93Å
79G93.2Very high94.1Very high21 Ų2126.6 Ų26.622%0.21614%0.14CC..THydrogen-bonded Turntrans55.5-127.3-172.400000110.8K77 V81K77-G79 WeakPolarHBondContact CE-O 3.35Å; K77-G79 PolarHBondContact NZ-O 2.87Å; G79-V81 PolarHBondContact O-N 2.86Å
80P96.2Very high94.4Very high38 Ų3821.1 Ų21.125%0.24712%0.117CC..THydrogen-bonded Turntrans-79.612.5179.736.1-37.8000114.2D30 V31 K32 F33D30-P80 WeakPolarHBondContact O-CA 3.21Å; D30-P80 WeakPolarHBondContact O-CB 3.37Å; V31-P80 WeakPolarHBondContact CA-O 3.39Å; K32-P80 HydrophobicContact CB-CB 4.26Å; K32-P80 HydrophobicContact CD-CB 4.35Å; K32-P80 HydrophobicContact CG-CB 4.14Å; K32-P80 PolarHBondContact N-O 3.17Å; F33-P80 PolarHBondContact N-O 2.88Å; F33-P80 VanDerWaalsContact N-O 3.17Å
81V97.6Very high94.9Very high11 Ų1119.7 Ų19.77%0.06711%0.107CC..EExtended strand (participates in β ladder)trans-116.3128.6-176-172.90000110.9F33 L35 V50 L54 K77 C78 G79F33-V81 HydrophobicContact CB-CG1 4.23Å; F33-V81 HydrophobicContact CB-CG2 4.2Å; F33-V81 HydrophobicContact CD2-CG2 4.1Å; F33-V81 WeakPolarHBondContact O-CA 3.16Å; L35-V81 HydrophobicContact CD1-CG1 3.94Å; L35-V81 HydrophobicContact CG-CG1 3.81Å; V50-V81 HydrophobicContact CG1-CB 3.85Å; V50-V81 HydrophobicContact CG1-CG1 4.06Å; V50-V81 HydrophobicContact CG1-CG2 3.82Å; L54-V81 HydrophobicContact CD1-CG2 4.15Å; K77-V81 WeakPolarHBondContact CA-O 3.43Å; C78-V81 PolarHBondContact N-O 2.84Å; C78-V81 PolarHBondContact O-N 2.93Å; G79-V81 PolarHBondContact O-N 2.86Å
82L98.5Very high95.6Very high0 Ų016.1 Ų16.10%09%0.088CC..EExtended strand (participates in β ladder)trans-98.9134.2166.2-64.6-177.5000110.3F28 V31 F33 V34 L35 L75 Y76 K77 I100 L103 L104F28-L82 HydrophobicContact CD1-CD1 4.32Å; F28-L82 HydrophobicContact CD1-CD2 3.97Å; F28-L82 HydrophobicContact CE1-CD2 4.09Å; V31-L82 HydrophobicContact CG1-CD1 4.06Å; V31-L82 HydrophobicContact CG1-CG 3.92Å; V31-L82 HydrophobicContact CG2-CD1 3.97Å; V31-L82 HydrophobicContact CG2-CD2 4.08Å; V31-L82 HydrophobicContact CG2-CG 3.73Å; F33-L82 PolarHBondContact O-N 3.23Å; V34-L82 HydrophobicContact CG2-CB 4.41Å; L35-L82 PolarHBondContact N-O 2.82Å; L75-L82 HydrophobicContact CD1-CB 4.21Å; L75-L82 HydrophobicContact CD1-CD1 4.43Å; L75-L82 HydrophobicContact CD1-CD2 4.29Å; Y76-L82 CarbonylContact O-C 3.16Å; Y76-L82 WeakPolarHBondContact O-CA 3.42Å; K77-L82 HydrophobicContact CB-CD2 3.69Å; K77-L82 HydrophobicContact CD-CD2 4.19Å; K77-L82 HydrophobicContact CG-CD2 3.76Å; L82-I100 HydrophobicContact CD1-CD1 3.82Å; L82-L103 HydrophobicContact CD1-CD2 4.32Å; L82-L104 HydrophobicContact CD1-CD2 3.96Å
83C98Very high96.3Very high0 Ų012.1 Ų12.10%07%0.073CC..EExtended strand (participates in β ladder)trans-116.6116.7172-63.80000108.7L35 A47 Y76L35-C83 CarbonylContact O-C 3.54Å; L35-C83 VanDerWaalsContact O-CA 3.3Å; L35-C83 WeakPolarHBondContact O-CA 3.4Å; A47-C83 HydrophobicContact CB-CB 3.8Å; Y76-C83 PolarHBondContact N-O 3.07Å; Y76-C83 PolarHBondContact O-N 2.79Å
84V98.2Very high96.4Very high0 Ų012 Ų120%07%0.073CC..EExtended strand (participates in β ladder)trans-134135.7-171.963.10000111.3F15 V34 L35 C36 G37 V74 L75 M96F15-V84 HydrophobicContact CE1-CG2 4.08Å; F15-V84 HydrophobicContact CZ-CG2 3.99Å; V34-V84 HydrophobicContact CG1-CG1 4.01Å; L35-V84 PolarHBondContact O-N 3.27Å; C36-V84 WeakPolarHBondContact CA-O 3.17Å; C36-V84 HydrophobicContact CB-CG1 3.69Å; C36-V84 WeakPolarHBondContact CB-O 3.21Å; G37-V84 PolarHBondContact N-O 3.39Å; V74-V84 WeakPolarHBondContact O-CA 3.37Å; V74-V84 WeakPolarHBondContact O-CG2 3.42Å; L75-V84 HydrophobicContact CD1-CB 3.81Å; L75-V84 HydrophobicContact CD1-CG2 4.12Å; V84-M96 HydrophobicContact CG1-CE 4.46Å; V84-M96 HydrophobicContact CG1-CG 4.24Å; V84-M96 HydrophobicContact CG1-SD 3.63Å; V84-M96 HydrophobicContact CG2-CG 3.79Å; V84-M96 HydrophobicContact CG2-SD 4.23Å
85N96.7Very high96.4Very high11 Ų1111.2 Ų11.26%0.0597%0.068CC..EExtended strand (participates in β ladder)trans-86.9156.7171.886.8-56.8000111.5G37 G38 A40 M43 F73 V74G37-N85 CarbonylContact O-C 3.57Å; G37-N85 WeakPolarHBondContact O-CA 2.99Å; G37-N85 WeakPolarHBondContact O-CB 3.28Å; G38-N85 PolarHBondContact O-ND2 3Å; A40-N85 HydrophobicContact CB-CB 4.44Å; M43-N85 HydrophobicContact CG-CB 3.83Å; F73-N85 WeakPolarHBondContact CA-OD1 3.39Å; F73-N85 WeakPolarHBondContact CD1-O 3.3Å; V74-N85 HydrophobicContact CG2-CB 4Å; V74-N85 WeakPolarHBondContact CG2-OD1 3.44Å; V74-N85 PolarHBondContact N-OD1 3.48Å; V74-N85 PolarHBondContact O-N 3.07Å; V74-N85 VanDerWaalsContact O-N 3.17Å
86H95.9Very high96.3Very high0 Ų011.2 Ų11.20%07%0.068CC..  trans-126.86.6176.76661.2000114.4G37 G38 S92 C93 M96 R116 E243G37-H86 VanDerWaalsContact C-CD2 3.41Å; G37-H86 WeakPolarHBondContact CA-NE2 3.25Å; G37-H86 PolarHBondContact O-CD2 2.91Å; G37-H86 PolarHBondContact O-N 2.73Å; G38-H86 VanDerWaalsContact CA-CE1 3.49Å; G38-H86 WeakPolarHBondContact CA-CE1 3.29Å; G38-H86 PolarHBondContact N-CE1 3.29Å; G38-H86 PolarHBondContact N-NE2 3.5Å; H86-S92 CarbonylContact O-C 3.55Å; H86-S92 WeakPolarHBondContact O-CB 3.45Å; H86-S92 PolarHBondContact O-OG 3.08Å; H86-C93 HydrophobicContact CB-CB 4.43Å; H86-M96 HydrophobicContact CB-CB 3.84Å; H86-M96 HydrophobicContact CB-CE 3.73Å; H86-M96 HydrophobicContact CB-CG 3.93Å; H86-R116 PolarHBondContact CE1-NH1 3.5Å; H86-R116 PolarHBondContact CE1-NH2 3.48Å; H86-R116 VanDerWaalsContact CE1-NH2 3.28Å; H86-R116 PolarHBondContact NE2-NH1 3.43Å; H86-R116 PolarHBondContact NE2-NH2 2.88Å; H86-E243 IonicContact CE1-OE1 3.4Å; H86-E243 PolarHBondContact CE1-OE1 3.42Å; H86-E243 IonicContact ND1-OE1 3.96Å
87G93.2Very high96.3Very high20 Ų2010.2 Ų10.221%0.2066%0.064CC..  trans71.7-146.4-176.200000112.5G38G38-G87 WeakPolarHBondContact CA-O 3.44Å; G38-G87 PolarHBondContact O-N 3.39Å
88I94.1Very high96.2Very high32 Ų327.7 Ų7.716%0.1645%0.053CC..SBendtrans-122.2132.4-176.9-59.3169.3000109S92 M242 E243 T398 Y399 A417 P418 I421I88-S92 PolarHBondContact N-OG 2.96Å; I88-S92 PolarHBondContact O-OG 3.4Å; I88-M242 HydrophobicContact CG2-SD 3.9Å; I88-E243 WeakPolarHBondContact CA-OE1 3.36Å; I88-T398 HydrophobicContact CD1-CG2 3.72Å; I88-Y399 HydrophobicContact CD1-CE2 4.16Å; I88-A417 HydrophobicContact CG2-CB 4.23Å; I88-P418 HydrophobicContact CB-CB 4.48Å; I88-P418 VanDerWaalsContact O-CD 3.29Å; I88-P418 WeakPolarHBondContact O-CD 3.29Å; I88-I421 HydrophobicContact CD1-CD1 4.45Å; I88-I421 HydrophobicContact CG2-CD1 3.75Å
89G96.1Very high96.2Very high0 Ų07.6 Ų7.60%05%0.052CC..SBendtrans83.6175.6175.100000116G91 S92 C93 E243G89-G91 PolarHBondContact O-N 3.01Å; G89-S92 PolarHBondContact O-OG 2.62Å; G89-C93 VanDerWaalsContact O-CB 3.31Å; G89-C93 WeakPolarHBondContact O-CB 3.5Å; G89-C93 PolarHBondContact O-N 2.95Å; G89-E243 VanDerWaalsContact N-CD 3.28Å; G89-E243 PolarHBondContact N-OE1 2.88Å; G89-E243 VanDerWaalsContact O-CG 3.26Å; G89-E243 WeakPolarHBondContact O-CG 3.3Å
90E96.9Very high96.4Very high18 Ų186.6 Ų6.68%0.0844%0.042CC..Hα-helixtrans-67.8-38.5-167.3-60.5175.615400112.2S92 C93 L94 F161 N204 C246E90-S92 PolarHBondContact O-N 2.58Å; E90-C93 PolarHBondContact O-N 3.42Å; E90-L94 WeakPolarHBondContact O-CB 3.47Å; E90-L94 VanDerWaalsContact O-CG 3.28Å; E90-L94 WeakPolarHBondContact O-CG 3.35Å; E90-L94 PolarHBondContact O-N 3.49Å; E90-F161 HydrophobicContact CB-CE2 4.46Å; E90-F161 VanDerWaalsContact CD-CE2 3.48Å; E90-F161 HydrophobicContact CG-CE2 4.32Å; E90-F161 WeakPolarHBondContact OE2-CE2 3.11Å; E90-N204 WeakPolarHBondContact CB-OD1 3.08Å; E90-N204 VanDerWaalsContact CG-OD1 3.3Å; E90-N204 WeakPolarHBondContact CG-OD1 3.5Å; E90-N204 PolarHBondContact N-OD1 3.01Å; E90-N204 VanDerWaalsContact N-OD1 3.14Å; E90-N204 PolarHBondContact OE2-ND2 3.27Å; E90-C246 HydrophobicContact CB-CB 4Å; E90-C246 HydrophobicContact CG-CB 3.95Å
91G95.7Very high96.4Very high1 Ų15 Ų51%0.013%0.032CC..Hα-helixtrans-61.8-46.5-17600000114G89 I95 N514G89-G91 PolarHBondContact O-N 3.01Å; G91-I95 WeakPolarHBondContact O-CG1 3.33Å; G91-I95 PolarHBondContact O-N 2.72Å; G91-N514 WeakPolarHBondContact CA-O 3.32Å; G91-N514 WeakPolarHBondContact CA-OD1 3.34Å
92S95.8Very high96.2Very high4 Ų45 Ų53%0.0283%0.031CC..Hα-helixtrans-73.9-33.2176.763.20000112.3H86 I88 G89 E90 I95 M96H86-S92 CarbonylContact O-C 3.55Å; H86-S92 WeakPolarHBondContact O-CB 3.45Å; H86-S92 PolarHBondContact O-OG 3.08Å; I88-S92 PolarHBondContact N-OG 2.96Å; I88-S92 PolarHBondContact O-OG 3.4Å; G89-S92 PolarHBondContact O-OG 2.62Å; E90-S92 PolarHBondContact O-N 2.58Å; S92-I95 PolarHBondContact O-N 3.26Å; S92-M96 PolarHBondContact O-N 3.41Å; S92-M96 VanDerWaalsContact O-N 3.11Å
93C97.8Very high96.1Very high0 Ų05 Ų50%03%0.031CC..Hα-helixtrans-62.4-47.2174.5-169.60000112.9H86 G89 E90 I95 M96 L97 E243H86-C93 HydrophobicContact CB-CB 4.43Å; G89-C93 VanDerWaalsContact O-CB 3.31Å; G89-C93 WeakPolarHBondContact O-CB 3.5Å; G89-C93 PolarHBondContact O-N 2.95Å; E90-C93 PolarHBondContact O-N 3.42Å; C93-I95 VanDerWaalsContact C-N 3.32Å; C93-I95 PolarHBondContact O-N 3.04Å; C93-M96 PolarHBondContact O-N 3.3Å; C93-L97 WeakPolarHBondContact O-CB 3.35Å; C93-L97 VanDerWaalsContact O-CG 3.26Å; C93-L97 WeakPolarHBondContact O-CG 3.27Å; C93-L97 PolarHBondContact O-N 3.05Å; C93-E243 HydrophobicContact CB-CB 4.16Å; C93-E243 HydrophobicContact CB-CG 3.85Å
94L96.7Very high96Very high3 Ų35.3 Ų5.32%0.0163%0.032CC..Hα-helixtrans-62.6-38.3177.8-72.6166.8000112.2E90 L97 H98 F161 C246 F250 D515E90-L94 WeakPolarHBondContact O-CB 3.47Å; E90-L94 VanDerWaalsContact O-CG 3.28Å; E90-L94 WeakPolarHBondContact O-CG 3.35Å; E90-L94 PolarHBondContact O-N 3.49Å; L94-L97 PolarHBondContact O-N 2.93Å; L94-H98 WeakPolarHBondContact O-CB 3.39Å; L94-H98 PolarHBondContact O-CD2 3.22Å; L94-H98 PolarHBondContact O-N 2.97Å; L94-F161 HydrophobicContact CD1-CE1 4.2Å; L94-F161 HydrophobicContact CD1-CZ 3.79Å; L94-F161 HydrophobicContact CD2-CE1 4.37Å; L94-C246 HydrophobicContact CD1-CB 4.43Å; L94-C246 HydrophobicContact CD2-CB 4.1Å; L94-C246 HydrophobicContact CG-CB 4.14Å; L94-F250 HydrophobicContact CD2-CD2 4.23Å; L94-D515 HydrophobicContact CD1-CB 4.19Å
95I95.2Very high95.7Very high1 Ų17.7 Ų7.71%0.0054%0.043CC..Hα-helixtrans-59.1-52.5173.5-69.6165.4000110.4H14 F73 G91 S92 C93 L97 H98 E99 L414 Y516 M552H14-I95 HydrophobicContact CB-CG2 3.71Å; H14-I95 WeakPolarHBondContact ND1-CG2 3.5Å; F73-I95 HydrophobicContact CE2-CB 4.49Å; F73-I95 HydrophobicContact CE2-CG2 3.71Å; F73-I95 HydrophobicContact CZ-CB 4.38Å; F73-I95 HydrophobicContact CZ-CG2 4.08Å; G91-I95 WeakPolarHBondContact O-CG1 3.33Å; G91-I95 PolarHBondContact O-N 2.72Å; S92-I95 PolarHBondContact O-N 3.26Å; C93-I95 VanDerWaalsContact C-N 3.32Å; C93-I95 PolarHBondContact O-N 3.04Å; I95-L97 VanDerWaalsContact C-N 3.32Å; I95-L97 PolarHBondContact O-N 3.25Å; I95-H98 PolarHBondContact O-N 2.85Å; I95-E99 PolarHBondContact O-N 2.78Å; I95-L414 HydrophobicContact CD1-CD1 4Å; I95-Y516 HydrophobicContact CD1-CG 4.22Å; I95-Y516 HydrophobicContact CG1-CD1 4.29Å; I95-Y516 HydrophobicContact CG1-CG 4.12Å; I95-M552 HydrophobicContact CD1-CE 4.46Å; I95-M552 HydrophobicContact CD1-SD 4.26Å
96M97.1Very high95.6Very high0 Ų09.1 Ų9.10%05%0.049CC..Hα-helixtrans-58-46179.3-179.7-74.2-67.700110.8F15 C36 F73 V84 H86 S92 C93 E99 I100F15-M96 HydrophobicContact CE1-CG 4.28Å; F15-M96 HydrophobicContact CZ-CG 4.08Å; C36-M96 HydrophobicContact CB-CE 3.69Å; C36-M96 HydrophobicContact CB-SD 4.47Å; F73-M96 HydrophobicContact CE1-CB 4.18Å; F73-M96 HydrophobicContact CZ-CB 4.12Å; V84-M96 HydrophobicContact CG1-CE 4.46Å; V84-M96 HydrophobicContact CG1-CG 4.24Å; V84-M96 HydrophobicContact CG1-SD 3.63Å; V84-M96 HydrophobicContact CG2-CG 3.79Å; V84-M96 HydrophobicContact CG2-SD 4.23Å; H86-M96 HydrophobicContact CB-CB 3.84Å; H86-M96 HydrophobicContact CB-CE 3.73Å; H86-M96 HydrophobicContact CB-CG 3.93Å; S92-M96 PolarHBondContact O-N 3.41Å; S92-M96 VanDerWaalsContact O-N 3.11Å; C93-M96 PolarHBondContact O-N 3.3Å; M96-E99 PolarHBondContact O-N 2.86Å; M96-I100 WeakPolarHBondContact O-CB 3.1Å; M96-I100 VanDerWaalsContact O-CG2 3.29Å; M96-I100 WeakPolarHBondContact O-CG2 3.48Å; M96-I100 PolarHBondContact O-N 3.01Å; M96-I100 HydrophobicContact SD-CB 4.18Å; M96-I100 HydrophobicContact SD-CG2 3.8Å
97L97.7Very high95.6Very high0 Ų09.1 Ų9.10%05%0.049CC..Hα-helixtrans-62.2-45.6-179.5-74.5169.4000112.5C93 L94 I95 I100 T101 F114 F247 F250C93-L97 WeakPolarHBondContact O-CB 3.35Å; C93-L97 VanDerWaalsContact O-CG 3.26Å; C93-L97 WeakPolarHBondContact O-CG 3.27Å; C93-L97 PolarHBondContact O-N 3.05Å; L94-L97 PolarHBondContact O-N 2.93Å; I95-L97 VanDerWaalsContact C-N 3.32Å; I95-L97 PolarHBondContact O-N 3.25Å; L97-I100 WeakPolarHBondContact O-CG2 3.47Å; L97-T101 VanDerWaalsContact O-CB 3.32Å; L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-N 2.85Å; L97-T101 PolarHBondContact O-OG1 3.4Å; L97-F114 HydrophobicContact CD2-CD2 4.07Å; L97-F114 HydrophobicContact CD2-CE2 4.1Å; L97-F247 HydrophobicContact CD1-CD2 4.25Å; L97-F247 HydrophobicContact CD2-CD2 3.89Å; L97-F247 HydrophobicContact CD2-CE2 4.09Å; L97-F250 VanDerWaalsContact C-CZ 3.48Å; L97-F250 HydrophobicContact CB-CD1 3.85Å; L97-F250 HydrophobicContact CB-CD2 3.95Å; L97-F250 HydrophobicContact CB-CE1 3.79Å; L97-F250 HydrophobicContact CB-CE2 3.86Å; L97-F250 HydrophobicContact CB-CG 3.95Å; L97-F250 HydrophobicContact CB-CZ 3.8Å; L97-F250 HydrophobicContact CD1-CB 3.89Å; L97-F250 HydrophobicContact CD1-CD1 4.17Å; L97-F250 HydrophobicContact CD1-CD2 4.39Å; L97-F250 HydrophobicContact CD1-CG 3.9Å; L97-F250 HydrophobicContact CD2-CD1 4.11Å; L97-F250 HydrophobicContact CD2-CE1 4.42Å; L97-F250 HydrophobicContact CG-CD1 4.27Å; L97-F250 HydrophobicContact CG-CG 4.39Å; L97-F250 WeakPolarHBondContact O-CZ 3.3Å
98H95.2Very high95.7Very high0 Ų013.9 Ų13.90%07%0.066CC..Hα-helixtrans-61.5-47.3174.5-81.1-67.1000111.5L94 I95 K102 F250 Y517 S524 T526L94-H98 WeakPolarHBondContact O-CB 3.39Å; L94-H98 PolarHBondContact O-CD2 3.22Å; L94-H98 PolarHBondContact O-N 2.97Å; I95-H98 PolarHBondContact O-N 2.85Å; H98-K102 WeakPolarHBondContact O-CB 3.46Å; H98-K102 VanDerWaalsContact O-CG 3.27Å; H98-K102 WeakPolarHBondContact O-CG 3.4Å; H98-K102 PolarHBondContact O-N 3.33Å; H98-F250 AromaticContact CD2-CE2 3.97Å; H98-F250 AromaticContact CE1-CE2 3.68Å; H98-F250 AromaticContact CG-CE2 3.79Å; H98-F250 AromaticContact ND1-CE2 3.57Å; H98-F250 AromaticContact NE2-CE2 3.91Å; H98-Y517 HydrophobicContact CB-CD2 3.52Å; H98-Y517 HydrophobicContact CB-CE2 3.49Å; H98-Y517 VanDerWaalsContact CB-CE2 3.49Å; H98-Y517 HydrophobicContact CB-CG 4.08Å; H98-Y517 AromaticContact CD2-CD2 3.38Å; H98-Y517 WeakPolarHBondContact CD2-CD2 3.38Å; H98-Y517 AromaticContact CD2-CG 3.65Å; H98-Y517 AromaticContact CG-CD2 3.6Å; H98-Y517 AromaticContact CG-CG 3.82Å; H98-S524 WeakPolarHBondContact ND1-CB 3.47Å; H98-S524 PolarHBondContact ND1-OG 3.27Å; H98-T526 PolarHBondContact ND1-OG1 3.07Å
99E95.2Very high95.8Very high0 Ų013 Ų130%06%0.062CC..Hα-helixtrans-70.8-38.1-176.6-68.7-164.9-169.900113.2L12 Y13 H14 F15 I95 M96 K102 L103 Y517L12-E99 VanDerWaalsContact C-OE2 3.27Å; L12-E99 HydrophobicContact CB-CB 4.41Å; L12-E99 HydrophobicContact CB-CG 4.41Å; L12-E99 WeakPolarHBondContact CB-OE2 3.39Å; L12-E99 HydrophobicContact CD2-CB 4.38Å; L12-E99 HydrophobicContact CD2-CG 4.5Å; Y13-E99 PolarHBondContact N-OE1 3.33Å; H14-E99 WeakPolarHBondContact CA-OE2 3.37Å; H14-E99 WeakPolarHBondContact CB-OE1 3.49Å; H14-E99 IonicContact CE1-OE1 2.71Å; H14-E99 IonicContact CG-OE1 3.24Å; H14-E99 PolarHBondContact N-OE1 3.2Å; H14-E99 PolarHBondContact N-OE2 3.03Å; H14-E99 IonicContact ND1-OE1 3.43Å; H14-E99 PolarHBondContact ND1-OE1 2.98Å; F15-E99 HydrophobicContact CD2-CB 3.82Å; F15-E99 HydrophobicContact CE2-CB 3.62Å; F15-E99 HydrophobicContact CG-CB 4.37Å; F15-E99 HydrophobicContact CZ-CB 3.99Å; F15-E99 PolarHBondContact N-OE2 3.03Å; I95-E99 PolarHBondContact O-N 2.78Å; M96-E99 PolarHBondContact O-N 2.86Å; E99-K102 PolarHBondContact O-N 3.2Å; E99-L103 WeakPolarHBondContact O-CB 3.49Å; E99-L103 PolarHBondContact O-N 2.95Å; E99-Y517 HydrophobicContact CG-CE2 4.37Å; E99-Y517 WeakPolarHBondContact CG-OH 3.21Å; E99-Y517 PolarHBondContact OE1-OH 2.87Å; E99-Y517 VanDerWaalsContact OE1-OH 3.13Å
100I97.4Very high95.7Very high0 Ų021.3 Ų21.30%010%0.101CC..Hα-helixtrans-69.6-39.9177.7-16165.3000111.4F15 V34 L75 L82 M96 L97 L103 L104 F114F15-I100 HydrophobicContact CE2-CB 4.07Å; F15-I100 HydrophobicContact CE2-CD1 4.04Å; F15-I100 HydrophobicContact CZ-CB 4.2Å; F15-I100 HydrophobicContact CZ-CD1 4.45Å; V34-I100 HydrophobicContact CG1-CG1 4.15Å; V34-I100 HydrophobicContact CG2-CG1 4.4Å; L75-I100 HydrophobicContact CD1-CD1 4.05Å; L82-I100 HydrophobicContact CD1-CD1 3.82Å; M96-I100 WeakPolarHBondContact O-CB 3.1Å; M96-I100 VanDerWaalsContact O-CG2 3.29Å; M96-I100 WeakPolarHBondContact O-CG2 3.48Å; M96-I100 PolarHBondContact O-N 3.01Å; M96-I100 HydrophobicContact SD-CB 4.18Å; M96-I100 HydrophobicContact SD-CG2 3.8Å; L97-I100 WeakPolarHBondContact O-CG2 3.47Å; I100-L103 WeakPolarHBondContact O-CB 3.27Å; I100-L103 PolarHBondContact O-N 2.89Å; I100-L104 WeakPolarHBondContact O-CG 3.48Å; I100-L104 PolarHBondContact O-N 3.43Å; I100-F114 HydrophobicContact CG2-CE2 3.79Å; I100-F114 HydrophobicContact CG2-CZ 3.96Å
101T96.3Very high95.5Very high5 Ų525.7 Ų25.73%0.03113%0.134CC..Hα-helixtrans-68.3-35.8176-61.20000111.5M1 L97 K105 F250 I256 T526M1-T101 HydrophobicContact CE-CG2 4.45Å; L97-T101 VanDerWaalsContact O-CB 3.32Å; L97-T101 WeakPolarHBondContact O-CB 3.48Å; L97-T101 PolarHBondContact O-N 2.85Å; L97-T101 PolarHBondContact O-OG1 3.4Å; T101-K105 WeakPolarHBondContact O-CB 3.14Å; T101-K105 PolarHBondContact O-N 3.18Å; T101-F250 WeakPolarHBondContact OG1-CE1 3.33Å; T101-I256 HydrophobicContact CG2-CD1 4.13Å; T101-T526 HydrophobicContact CG2-CG2 3.71Å
102K92.8Very high95.5Very high11 Ų1125.9 Ų25.95%0.04813%0.134CC..Hα-helixtrans-60.3-48170.7-77.2-176.953.7147.30111.7D10 L12 H98 E99 L104 K105 H106 E525 T526D10-K102 IonicContact OD1-NZ 3.45Å; D10-K102 PolarHBondContact OD1-NZ 2.93Å; D10-K102 WeakPolarHBondContact OD2-CE 3.3Å; D10-K102 IonicContact OD2-NZ 3.82Å; D10-K102 PolarHBondContact OD2-NZ 3.34Å; L12-K102 HydrophobicContact CD2-CB 3.71Å; L12-K102 HydrophobicContact CD2-CD 4.21Å; H98-K102 WeakPolarHBondContact O-CB 3.46Å; H98-K102 VanDerWaalsContact O-CG 3.27Å; H98-K102 WeakPolarHBondContact O-CG 3.4Å; H98-K102 PolarHBondContact O-N 3.33Å; E99-K102 PolarHBondContact O-N 3.2Å; K102-L104 PolarHBondContact O-N 2.96Å; K102-K105 PolarHBondContact O-N 3.24Å; K102-H106 PolarHBondContact O-CD2 3.4Å; K102-H106 VanDerWaalsContact O-CD2 3.27Å; K102-H106 PolarHBondContact O-N 3.45Å; K102-E525 VanDerWaalsContact CE-OE2 3.25Å; K102-E525 WeakPolarHBondContact CE-OE2 3.37Å; K102-E525 IonicContact NZ-OE2 2.88Å; K102-E525 PolarHBondContact NZ-OE2 3.38Å; K102-T526 HydrophobicContact CB-CG2 4.35Å; K102-T526 HydrophobicContact CG-CG2 3.46Å; K102-T526 VanDerWaalsContact CG-CG2 3.46Å
103L95.3Very high95.6Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-55.1-52.9177.6-178.1156.3000111.1L12 L17 F28 L75 L82 E99 I100 K105 H106 A107L12-L103 HydrophobicContact CD1-CB 3.72Å; L12-L103 HydrophobicContact CD1-CD1 4.11Å; L12-L103 HydrophobicContact CD1-CG 4.32Å; L17-L103 HydrophobicContact CD1-CD1 4.14Å; F28-L103 HydrophobicContact CB-CD2 3.83Å; F28-L103 HydrophobicContact CD1-CD2 3.92Å; F28-L103 HydrophobicContact CD2-CD1 4.32Å; F28-L103 HydrophobicContact CD2-CD2 3.69Å; F28-L103 HydrophobicContact CD2-CG 4.09Å; F28-L103 HydrophobicContact CE1-CD1 4.4Å; F28-L103 HydrophobicContact CE1-CD2 4.38Å; F28-L103 HydrophobicContact CE2-CD1 3.98Å; F28-L103 HydrophobicContact CE2-CD2 4.2Å; F28-L103 HydrophobicContact CE2-CG 4.23Å; F28-L103 HydrophobicContact CG-CD2 3.55Å; F28-L103 HydrophobicContact CG-CG 4.43Å; F28-L103 HydrophobicContact CZ-CD1 4.03Å; L75-L103 HydrophobicContact CD2-CD1 4.07Å; L82-L103 HydrophobicContact CD1-CD2 4.32Å; E99-L103 WeakPolarHBondContact O-CB 3.49Å; E99-L103 PolarHBondContact O-N 2.95Å; I100-L103 WeakPolarHBondContact O-CB 3.27Å; I100-L103 PolarHBondContact O-N 2.89Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.21Å; L103-H106 PolarHBondContact O-N 3.5Å; L103-A107 WeakPolarHBondContact O-CB 3.42Å; L103-A107 PolarHBondContact O-N 2.8Å
104L96.6Very high95.6Very high5 Ų527.1 Ų27.13%0.02614%0.141CC..Hα-helixtrans-63.1-34.5-178.3-68.2179.1000112.6V31 V34 L82 I100 K102 A107 Q108 V109 P112 F114V31-L104 HydrophobicContact CB-CD2 3.89Å; V31-L104 HydrophobicContact CG1-CD2 3.7Å; V31-L104 HydrophobicContact CG2-CD2 4.37Å; V34-L104 HydrophobicContact CG2-CD1 3.74Å; L82-L104 HydrophobicContact CD1-CD2 3.96Å; I100-L104 WeakPolarHBondContact O-CG 3.48Å; I100-L104 PolarHBondContact O-N 3.43Å; K102-L104 PolarHBondContact O-N 2.96Å; L104-A107 CarbonylContact O-C 3.41Å; L104-A107 WeakPolarHBondContact O-CB 3.44Å; L104-A107 PolarHBondContact O-N 2.98Å; L104-Q108 PolarHBondContact O-N 3Å; L104-Q108 VanDerWaalsContact O-N 3.15Å; L104-V109 HydrophobicContact CB-CB 4.19Å; L104-V109 HydrophobicContact CD2-CB 4.28Å; L104-V109 HydrophobicContact CD2-CG1 4.4Å; L104-V109 HydrophobicContact CD2-CG2 4.05Å; L104-V109 PolarHBondContact O-N 2.93Å; L104-P112 HydrophobicContact CD1-CB 4.09Å; L104-P112 HydrophobicContact CD1-CG 3.9Å; L104-F114 HydrophobicContact CD1-CE1 3.63Å; L104-F114 HydrophobicContact CD1-CZ 3.78Å
105K92.7Very high95.7Very high50 Ų5028.2 Ų28.222%0.21715%0.145CC..Hα-helixtrans-69.5-45.8177.5-175.6167164.7164.50112.7M1 I4 T101 K102 L103 A107 Q108M1-K105 PolarHBondContact O-NZ 3.39Å; M1-K105 HydrophobicContact SD-CD 4.1Å; I4-K105 VanDerWaalsContact CB-NZ 3.31Å; I4-K105 HydrophobicContact CD1-CD 3.19Å; I4-K105 HydrophobicContact CD1-CG 4.46Å; I4-K105 HydrophobicContact CG1-CD 4.26Å; T101-K105 WeakPolarHBondContact O-CB 3.14Å; T101-K105 PolarHBondContact O-N 3.18Å; K102-K105 PolarHBondContact O-N 3.24Å; L103-K105 VanDerWaalsContact C-N 3.27Å; L103-K105 PolarHBondContact O-N 3.21Å; K105-A107 PolarHBondContact O-N 2.96Å; K105-Q108 WeakPolarHBondContact O-CA 3.14Å; K105-Q108 PolarHBondContact O-N 2.69Å
106H93.3Very high95.9Very high41 Ų4128.2 Ų28.219%0.1915%0.145CC..Hα-helixtrans-61.5-28.9172.4-79.7-67.4000111.9D10 T19 F24 K102 L103 Q108D10-H106 WeakPolarHBondContact CB-NE2 3.45Å; D10-H106 IonicContact OD2-CD2 3.53Å; D10-H106 IonicContact OD2-CE1 3.96Å; D10-H106 IonicContact OD2-NE2 2.87Å; D10-H106 PolarHBondContact OD2-NE2 2.81Å; T19-H106 HydrophobicContact CG2-CB 4.38Å; F24-H106 HydrophobicContact CB-CB 4.2Å; F24-H106 HydrophobicContact CD2-CB 3.63Å; F24-H106 HydrophobicContact CG-CB 4.43Å; K102-H106 PolarHBondContact O-CD2 3.4Å; K102-H106 VanDerWaalsContact O-CD2 3.27Å; K102-H106 PolarHBondContact O-N 3.45Å; L103-H106 PolarHBondContact O-N 3.5Å; H106-Q108 PolarHBondContact O-N 3.36Å
107A96.2Very high95.8Very high1 Ų128.8 Ų28.81%0.00815%0.148CC..THydrogen-bonded Turntrans-76.5-4172.300000114.4F24 F28 G29 L103 L104 K105 V109F24-A107 HydrophobicContact CB-CB 4.37Å; F24-A107 WeakPolarHBondContact O-CB 3.39Å; F28-A107 HydrophobicContact CB-CB 3.7Å; G29-A107 WeakPolarHBondContact CA-O 3.29Å; L103-A107 WeakPolarHBondContact O-CB 3.42Å; L103-A107 PolarHBondContact O-N 2.8Å; L104-A107 CarbonylContact O-C 3.41Å; L104-A107 WeakPolarHBondContact O-CB 3.44Å; L104-A107 PolarHBondContact O-N 2.98Å; K105-A107 PolarHBondContact O-N 2.96Å; A107-V109 VanDerWaalsContact C-N 3.25Å; A107-V109 HydrophobicContact CB-CG2 4.02Å; A107-V109 PolarHBondContact O-N 2.87Å
108Q95.7Very high95.6Very high119 Ų11928.9 Ų28.956%0.55615%0.149SC*.THydrogen-bonded Turntrans58.433.2-176.3-57-176.3-21.700113.7L104 K105 H106 E110L104-Q108 PolarHBondContact O-N 3Å; L104-Q108 VanDerWaalsContact O-N 3.15Å; K105-Q108 WeakPolarHBondContact O-CA 3.14Å; K105-Q108 PolarHBondContact O-N 2.69Å; H106-Q108 PolarHBondContact O-N 3.36Å; Q108-E110 PolarHBondContact O-N 3.12Å
109V96.9Very high95.5Very high15 Ų1530.5 Ų30.59%0.09116%0.159CC..  trans-77.4122.2175.9172.90000109.8F28 V31 L104 A107 P112F28-V109 WeakPolarHBondContact O-CG2 3.5Å; V31-V109 HydrophobicContact CB-CG2 4.2Å; V31-V109 WeakPolarHBondContact O-CG1 3.49Å; L104-V109 HydrophobicContact CB-CB 4.19Å; L104-V109 HydrophobicContact CD2-CB 4.28Å; L104-V109 HydrophobicContact CD2-CG1 4.4Å; L104-V109 HydrophobicContact CD2-CG2 4.05Å; L104-V109 PolarHBondContact O-N 2.93Å; A107-V109 VanDerWaalsContact C-N 3.25Å; A107-V109 HydrophobicContact CB-CG2 4.02Å; A107-V109 PolarHBondContact O-N 2.87Å; V109-P112 HydrophobicContact CG1-CB 3.98Å; V109-P112 HydrophobicContact CG1-CG 4.2Å
110E92.9Very high95.5Very high174 Ų17430.9 Ų30.981%0.81316%0.162SC*.  trans-96135.3176.3-63.9-174.8175.600111.2Q108Q108-E110 PolarHBondContact O-N 3.12Å
111S92.3Very high95.3Very high110 Ų11031.6 Ų31.677%0.76917%0.169SC*.SBendtrans51.148.6171.2-52.50000116.1
112P96.5Very high95.2Very high4 Ų431.4 Ų31.43%0.02617%0.168CC..  trans-65.9149.2174.531.6-35.4000110.8K32 L104 V109 F114K32-P112 WeakPolarHBondContact O-CA 2.92Å; L104-P112 HydrophobicContact CD1-CB 4.09Å; L104-P112 HydrophobicContact CD1-CG 3.9Å; V109-P112 HydrophobicContact CG1-CB 3.98Å; V109-P112 HydrophobicContact CG1-CG 4.2Å; P112-F114 HydrophobicContact CB-CD1 4.36Å; P112-F114 HydrophobicContact CB-CE1 4.02Å; P112-F114 HydrophobicContact CG-CD1 4.42Å; P112-F114 HydrophobicContact CG-CE1 3.85Å
113L97.8Very high95.1Very high31 Ų3130.9 Ų30.916%0.16217%0.166CC..EExtended strand (participates in β ladder)trans-96.1131.8171.1-63.4-174.8000110.9K32 F33 V34 F115 L180 R257K32-L113 PolarHBondContact O-N 2.85Å; F33-L113 WeakPolarHBondContact CA-O 3.42Å; F33-L113 HydrophobicContact CD1-CB 4.1Å; F33-L113 HydrophobicContact CD1-CD1 4.37Å; F33-L113 HydrophobicContact CE1-CB 4.49Å; F33-L113 HydrophobicContact CE1-CD1 3.95Å; V34-L113 PolarHBondContact N-O 2.98Å; L113-F115 HydrophobicContact CB-CD2 4.42Å; L113-F115 HydrophobicContact CB-CE2 3.56Å; L113-F115 HydrophobicContact CB-CZ 4.17Å; L113-F115 HydrophobicContact CD1-CE2 4.32Å; L113-F115 HydrophobicContact CD1-CZ 4.23Å; L113-L180 HydrophobicContact CD1-CD1 4.46Å; L113-R257 HydrophobicContact CD2-CB 3.54Å; L113-R257 HydrophobicContact CD2-CG 4.42Å
114F98.4Very high94Very high0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-107.1129.4-179.8-81.634.3000110.6V34 L97 I100 L104 P112 F247 I256 R257 A258 A259V34-F114 HydrophobicContact CB-CD1 3.71Å; V34-F114 HydrophobicContact CB-CE1 3.79Å; V34-F114 HydrophobicContact CB-CG 4.11Å; V34-F114 HydrophobicContact CB-CZ 4.26Å; V34-F114 HydrophobicContact CG2-CD1 3.81Å; V34-F114 HydrophobicContact CG2-CE1 3.4Å; V34-F114 VanDerWaalsContact CG2-CE1 3.4Å; V34-F114 HydrophobicContact CG2-CZ 3.91Å; V34-F114 WeakPolarHBondContact O-CA 3.41Å; L97-F114 HydrophobicContact CD2-CD2 4.07Å; L97-F114 HydrophobicContact CD2-CE2 4.1Å; I100-F114 HydrophobicContact CG2-CE2 3.79Å; I100-F114 HydrophobicContact CG2-CZ 3.96Å; L104-F114 HydrophobicContact CD1-CE1 3.63Å; L104-F114 HydrophobicContact CD1-CZ 3.78Å; P112-F114 HydrophobicContact CB-CD1 4.36Å; P112-F114 HydrophobicContact CB-CE1 4.02Å; P112-F114 HydrophobicContact CG-CD1 4.42Å; P112-F114 HydrophobicContact CG-CE1 3.85Å; F114-F247 HydrophobicContact CB-CE2 4.27Å; F114-F247 HydrophobicContact CB-CZ 3.82Å; F114-F247 HydrophobicContact CD2-CE2 4.43Å; F114-I256 HydrophobicContact CB-CG2 3.95Å; F114-I256 HydrophobicContact CD1-CG2 3.54Å; F114-I256 HydrophobicContact CD2-CG2 4.22Å; F114-I256 HydrophobicContact CE1-CD1 4.22Å; F114-I256 HydrophobicContact CE1-CG2 4.07Å; F114-I256 HydrophobicContact CE2-CD1 4.19Å; F114-I256 HydrophobicContact CG-CG2 3.64Å; F114-I256 HydrophobicContact CZ-CD1 3.98Å; F114-R257 PolarHBondContact N-O 3.45Å; F114-R257 VanDerWaalsContact N-O 3.12Å; F114-A258 HydrophobicContact CB-CB 3.89Å; F114-A258 CarbonylContact O-C 3.44Å; F114-A258 WeakPolarHBondContact O-CA 3.47Å; F114-A258 WeakPolarHBondContact O-CB 3.45Å; F114-A259 PolarHBondContact O-N 2.92Å
115F98.2Very high91.9Very high25 Ų2532.4 Ų32.411%0.1118%0.176CC..EExtended strand (participates in β ladder)trans-122.9121.5176.6-62.4-93000109.5F33 V34 L35 C36 L113 I117 L180 L184 A259F33-F115 AromaticContact CD1-CE2 3.9Å; F33-F115 HydrophobicContact CD1-CE2 3.9Å; V34-F115 PolarHBondContact O-N 2.81Å; L35-F115 CarbonylContact C-O 3.59Å; L35-F115 WeakPolarHBondContact CA-O 3.47Å; L35-F115 HydrophobicContact CD2-CB 3.76Å; L35-F115 HydrophobicContact CD2-CD2 3.82Å; L35-F115 HydrophobicContact CD2-CG 4.05Å; C36-F115 PolarHBondContact N-O 3.04Å; C36-F115 PolarHBondContact SG-O 3.28Å; C36-F115 VanDerWaalsContact SG-O 3.4Å; L113-F115 HydrophobicContact CB-CD2 4.42Å; L113-F115 HydrophobicContact CB-CE2 3.56Å; L113-F115 HydrophobicContact CB-CZ 4.17Å; L113-F115 HydrophobicContact CD1-CE2 4.32Å; L113-F115 HydrophobicContact CD1-CZ 4.23Å; F115-I117 HydrophobicContact CB-CG1 4.3Å; F115-L180 HydrophobicContact CE1-CD1 4.24Å; F115-L180 HydrophobicContact CE1-CD2 4.26Å; F115-L180 HydrophobicContact CE1-CG 4.46Å; F115-L180 HydrophobicContact CZ-CD1 4.12Å; F115-L180 HydrophobicContact CZ-CD2 4.29Å; F115-L184 HydrophobicContact CD1-CD1 4.39Å; F115-L184 HydrophobicContact CE1-CD1 4.05Å; F115-L184 HydrophobicContact CE1-CD2 4.07Å; F115-L184 HydrophobicContact CE1-CG 4.42Å; F115-A259 WeakPolarHBondContact CA-O 3.34Å; F115-A259 HydrophobicContact CD1-CB 4.02Å; F115-A259 HydrophobicContact CE1-CB 4.15Å
116R98.3Very high89.5Confident2 Ų231.9 Ų31.91%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-91122166.7-175.8-163.6168.466.116.3109C36 H86 E241 E243 F247 A259 V260 V261C36-R116 CarbonylContact O-C 3.56Å; C36-R116 WeakPolarHBondContact O-CA 3.31Å; H86-R116 PolarHBondContact CE1-NH1 3.5Å; H86-R116 PolarHBondContact CE1-NH2 3.48Å; H86-R116 VanDerWaalsContact CE1-NH2 3.28Å; H86-R116 PolarHBondContact NE2-NH1 3.43Å; H86-R116 PolarHBondContact NE2-NH2 2.88Å; R116-E241 VanDerWaalsContact CZ-CD 3.48Å; R116-E241 IonicContact CZ-OE1 3.09Å; R116-E241 IonicContact CZ-OE2 3.74Å; R116-E241 IonicContact NE-OE1 2.92Å; R116-E241 IonicContact NE-OE2 3.21Å; R116-E241 PolarHBondContact NE-OE2 3Å; R116-E241 IonicContact NH2-OE1 3.97Å; R116-E241 PolarHBondContact NH2-OE1 2.97Å; R116-E241 IonicContact NH2-OE2 3.4Å; R116-E241 PolarHBondContact NH2-OE2 3.23Å; R116-E243 VanDerWaalsContact CZ-CB 3.46Å; R116-E243 IonicContact CZ-OE2 2.74Å; R116-E243 VanDerWaalsContact CZ-OE2 3.29Å; R116-E243 IonicContact NH1-OE2 2.77Å; R116-E243 IonicContact NH2-OE1 2.71Å; R116-E243 IonicContact NH2-OE2 3.64Å; R116-E243 PolarHBondContact NH2-OE2 2.79Å; R116-F247 HydrophobicContact CB-CD1 3.98Å; R116-F247 HydrophobicContact CB-CD2 4.08Å; R116-F247 HydrophobicContact CB-CE1 3.8Å; R116-F247 HydrophobicContact CB-CE2 3.94Å; R116-F247 HydrophobicContact CB-CG 4.1Å; R116-F247 HydrophobicContact CB-CZ 3.78Å; R116-A259 PolarHBondContact N-O 2.76Å; R116-V260 HydrophobicContact CB-CB 4.38Å; R116-V260 HydrophobicContact CB-CG1 4.34Å; R116-V260 HydrophobicContact CB-CG2 3.97Å; R116-V260 HydrophobicContact CG-CG1 4.46Å; R116-V261 PolarHBondContact O-N 3.34Å
117I95.8Very high87.1Confident11 Ų1134.1 Ų34.16%0.05620%0.202CC..EExtended strand (participates in β ladder)trans-119.9121.7-175.8-54.1-176.2000109.5L35 C36 G37 I46 F115 V261 P288L35-I117 HydrophobicContact CB-CD1 4.24Å; L35-I117 HydrophobicContact CD1-CD1 4.3Å; L35-I117 HydrophobicContact CD2-CD1 4.22Å; L35-I117 HydrophobicContact CG-CD1 4.48Å; C36-I117 PolarHBondContact O-N 2.98Å; G37-I117 WeakPolarHBondContact CA-O 3.46Å; I46-I117 HydrophobicContact CD1-CB 4.49Å; I46-I117 HydrophobicContact CD1-CD1 4.49Å; I46-I117 HydrophobicContact CD1-CG2 4.07Å; F115-I117 HydrophobicContact CB-CG1 4.3Å; I117-V261 WeakPolarHBondContact CA-O 3.39Å; I117-P288 HydrophobicContact CG2-CB 3.49Å; I117-P288 VanDerWaalsContact CG2-CB 3.49Å; I117-P288 HydrophobicContact CG2-CG 4.49Å
118G93.8Very high84.2Confident2 Ų242 Ų422%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-153.3179.9-171.300000116.2V261 C262 V263G118-V261 PolarHBondContact N-O 3.23Å; G118-V261 VanDerWaalsContact N-O 3.08Å; G118-C262 CarbonylContact O-C 3.6Å; G118-C262 VanDerWaalsContact O-CA 3.26Å; G118-C262 WeakPolarHBondContact O-CA 3.44Å; G118-V263 PolarHBondContact O-N 3.23Å
119T93.2Very high81.6Confident35 Ų3545.2 Ų45.222%0.21525%0.254CS..EExtended strand (participates in β ladder)trans-110.1148.3170.740.40000108.3R42 V263 L265 E285R42-T119 VanDerWaalsContact NH1-CG2 3.34Å; R42-T119 PolarHBondContact NH1-OG1 3.21Å; R42-T119 VanDerWaalsContact NH1-OG1 3.08Å; T119-V263 CarbonylContact C-O 3.6Å; T119-V263 WeakPolarHBondContact CA-O 3.4Å; T119-V263 HydrophobicContact CG2-CG1 3.8Å; T119-L265 HydrophobicContact CG2-CD1 4.05Å; T119-L265 HydrophobicContact CG2-CD2 3.82Å; T119-L265 HydrophobicContact CG2-CG 4.08Å; T119-E285 HydrophobicContact CG2-CB 4.47Å; T119-E285 HydrophobicContact CG2-CG 3.56Å
120S94.7Very high78.8Confident8 Ų849.4 Ų49.46%0.05628%0.283CS..EExtended strand (participates in β ladder)trans-146.6161.2-176.257.80000112.6N239 F240 C262 V263 T264 L265S120-N239 VanDerWaalsContact CB-ND2 3.35Å; S120-N239 WeakPolarHBondContact CB-ND2 3.33Å; S120-N239 WeakPolarHBondContact OG-CB 3.39Å; S120-N239 PolarHBondContact OG-ND2 3.49Å; S120-F240 WeakPolarHBondContact CA-O 3.38Å; S120-F240 WeakPolarHBondContact CB-O 3.47Å; S120-C262 WeakPolarHBondContact OG-CB 3.35Å; S120-V263 PolarHBondContact N-O 3.45Å; S120-V263 PolarHBondContact OG-O 3Å; S120-T264 CarbonylContact O-C 3.47Å; S120-T264 VanDerWaalsContact O-CA 3.32Å; S120-T264 WeakPolarHBondContact O-CA 3.45Å; S120-L265 PolarHBondContact O-N 2.7Å
121G93.1Very high75.8Confident15 Ų1546.5 Ų46.516%0.15528%0.281CS..EExtended strand (participates in β ladder)trans-83126162.900000109.8N239 F240G121-N239 CarbonylContact O-C 3.44Å; G121-N239 WeakPolarHBondContact O-CA 3.48Å; G121-N239 WeakPolarHBondContact O-CB 3.29Å; G121-F240 PolarHBondContact O-N 2.97Å
122G94.1Very high72.9Confident0 Ų047.4 Ų47.40%029%0.286CS..EExtended strand (participates in β ladder)trans-88.6151.1179.800000113.3R238 T264 L266 R268G122-R238 WeakPolarHBondContact CA-O 3.45Å; G122-T264 VanDerWaalsContact CA-CG2 3.47Å; G122-L266 PolarHBondContact N-O 2.91Å; G122-R268 PolarHBondContact O-N 3.46Å
123I92Very high70.1Confident0 Ų051.6 Ų51.60%032%0.315CS..  trans-133.8124.3168.650160.9000111.6L229 A232 V237 R238 F240 R268 F269I123-L229 HydrophobicContact CG2-CD1 4.47Å; I123-L229 HydrophobicContact CG2-CD2 4.26Å; I123-A232 HydrophobicContact CD1-CB 4.08Å; I123-V237 HydrophobicContact CD1-CB 3.99Å; I123-V237 HydrophobicContact CD1-CG1 3.85Å; I123-V237 HydrophobicContact CG1-CG1 4.41Å; I123-R238 PolarHBondContact N-O 3.48Å; I123-F240 HydrophobicContact CD1-CE2 3.83Å; I123-F240 HydrophobicContact CD1-CZ 4.45Å; I123-F240 HydrophobicContact CG1-CE2 4.04Å; I123-F240 HydrophobicContact CG2-CD2 4.48Å; I123-F240 HydrophobicContact CG2-CE2 3.87Å; I123-R268 HydrophobicContact CG2-CB 3.78Å; I123-R268 HydrophobicContact CG2-CG 4.39Å; I123-F269 HydrophobicContact CB-CD2 4.33Å; I123-F269 HydrophobicContact CB-CE2 3.83Å; I123-F269 HydrophobicContact CB-CZ 4.49Å; I123-F269 HydrophobicContact CG2-CD2 4.45Å; I123-F269 HydrophobicContact CG2-CE2 4.21Å
124G71.3Confident67.1Low0 Ų057.9 Ų57.90%035%0.348CS..SBendtrans67.2170.2171.900000115.7K139 G140 I141 Y233G124-K139 CarbonylContact C-O 3.58Å; G124-K139 VanDerWaalsContact CA-O 3.28Å; G124-K139 WeakPolarHBondContact CA-O 3.47Å; G124-G140 VanDerWaalsContact C-C 3.46Å; G124-G140 CarbonylContact O-C 3.55Å; G124-I141 WeakPolarHBondContact O-CA 3.09Å; G124-I141 WeakPolarHBondContact O-CB 2.77Å; G124-I141 WeakPolarHBondContact O-CD1 3.17Å; G124-I141 WeakPolarHBondContact O-CG1 3.16Å; G124-I141 PolarHBondContact O-N 2.93Å; G124-Y233 VanDerWaalsContact CA-CE2 3.45Å
125T53.6Low64.3Low38 Ų3863.1 Ų63.123%0.23339%0.392CS..  trans-84.6164-157.420.30000120K139 G140T125-K139 WeakPolarHBondContact CA-O 3.42Å; T125-K139 VanDerWaalsContact CB-O 3.25Å; T125-K139 WeakPolarHBondContact CB-O 3.25Å; T125-K139 HydrophobicContact CG2-CB 3.43Å; T125-K139 VanDerWaalsContact CG2-CB 3.43Å; T125-K139 HydrophobicContact CG2-CD 3.9Å; T125-K139 HydrophobicContact CG2-CG 3.5Å; T125-K139 VanDerWaalsContact CG2-CG 3.5Å; T125-K139 VanDerWaalsContact CG2-O 3.25Å; T125-K139 WeakPolarHBondContact CG2-O 3.25Å; T125-K139 PolarHBondContact N-O 3.42Å; T125-K139 PolarHBondContact OG1-O 3.33Å; T125-G140 WeakPolarHBondContact CG2-O 3.47Å
126V42.4Very low61.8Low38 Ų3866 Ų6623%0.2343%0.428CS..  trans-69.4118.3151.7-1730000109.9Q128 T145 H195V126-Q128 PolarHBondContact O-N 3.37Å; V126-T145 HydrophobicContact CG2-CG2 3.66Å; V126-H195 VanDerWaalsContact CG1-O 3.3Å; V126-H195 WeakPolarHBondContact CG1-O 3.45Å
127A41.3Very low59.4Low89 Ų8970.3 Ų70.374%0.73646%0.464SS*.  trans-70.7112163.900000108.1
128Q36Very low57.2Low165 Ų16572.6 Ų72.677%0.77148%0.479SS*.  trans-78.3139.4150.4-74.4-173.4-20.500106.7V126 S130V126-Q128 PolarHBondContact O-N 3.37Å; Q128-S130 PolarHBondContact O-N 3.15Å
129E41.7Very low55.7Low188 Ų18880.1 Ų80.188%0.87951%0.511SS*.SBendtrans-61.417.3-169.2-71.2175.8164.900116
130S37.3Very low54.5Low102 Ų10279.1 Ų79.171%0.71351%0.507SS*.  trans-144.276175.169.40000111.8Q128Q128-S130 PolarHBondContact O-N 3.15Å
131C29.4Very low53.7Low113 Ų11378.7 Ų78.776%0.76450%0.504SS*.  trans-148.169.9157.2-144.90000110.8S133C131-S133 PolarHBondContact O-N 3.29Å
132C31.5Very low53.4Low129 Ų12983.9 Ų83.987%0.87253%0.525SS*.  trans-74.9102.2151.6-57.30000107.3
133S38Very low53.2Low92 Ų9285.7 Ų85.764%0.64354%0.536SS*.  trans165.2136.9147.543.40000111.1C131C131-S133 PolarHBondContact O-N 3.29Å
134L34.2Very low53.1Low164 Ų16485.9 Ų85.986%0.85954%0.538SS*.  trans7696.7173.6-68.3137.1000117.2G136L134-G136 PolarHBondContact O-N 2.95Å
135A40.9Very low54.1Low110 Ų11085.9 Ų85.991%0.90954%0.538SS*.THydrogen-bonded Turntrans-50.4123.9153.500000110.2
136G45.7Very low56Low84 Ų8484 Ų8487%0.86653%0.527SS*.THydrogen-bonded Turntrans154.9-29.6163.400000117.9L134L134-G136 PolarHBondContact O-N 2.95Å
137A47.3Very low58.5Low93 Ų9382.2 Ų82.277%0.76952%0.516SS*.  trans-118.6107.3-177.300000111.6K139A137-K139 PolarHBondContact O-N 3.31Å
138V50.4Low61.2Low60 Ų6078 Ų7836%0.36448%0.481SS..  trans-67.198.5163.7179.70000106.8Y233 F269V138-Y233 HydrophobicContact CG1-CD1 4.16Å; V138-Y233 HydrophobicContact CG1-CE1 3.93Å; V138-Y233 HydrophobicContact CG1-CE2 4.33Å; V138-Y233 HydrophobicContact CG1-CG 4.42Å; V138-Y233 HydrophobicContact CG2-CD1 4.21Å; V138-Y233 HydrophobicContact CG2-CE1 4.03Å; V138-F269 HydrophobicContact CG1-CD2 4.13Å; V138-F269 HydrophobicContact CG1-CE2 3.71Å; V138-F269 HydrophobicContact CG1-CZ 4.22Å
139K61.4Low64.1Low160 Ų16070.1 Ų70.170%0.69644%0.444SS*.PPolyproline II helixtrans-70.8132.7168.6-167.8175.4-179.4178.20106.7G124 T125 A137G124-K139 CarbonylContact C-O 3.58Å; G124-K139 VanDerWaalsContact CA-O 3.28Å; G124-K139 WeakPolarHBondContact CA-O 3.47Å; T125-K139 WeakPolarHBondContact CA-O 3.42Å; T125-K139 VanDerWaalsContact CB-O 3.25Å; T125-K139 WeakPolarHBondContact CB-O 3.25Å; T125-K139 HydrophobicContact CG2-CB 3.43Å; T125-K139 VanDerWaalsContact CG2-CB 3.43Å; T125-K139 HydrophobicContact CG2-CD 3.9Å; T125-K139 HydrophobicContact CG2-CG 3.5Å; T125-K139 VanDerWaalsContact CG2-CG 3.5Å; T125-K139 VanDerWaalsContact CG2-O 3.25Å; T125-K139 WeakPolarHBondContact CG2-O 3.25Å; T125-K139 PolarHBondContact N-O 3.42Å; T125-K139 PolarHBondContact OG1-O 3.33Å; A137-K139 PolarHBondContact O-N 3.31Å
140G67.3Low66.8Low13 Ų1365.8 Ų65.813%0.13442%0.422CS..PPolyproline II helixtrans-71.3160.7-178.300000115.3G124 T125 E142 N267G124-G140 VanDerWaalsContact C-C 3.46Å; G124-G140 CarbonylContact O-C 3.55Å; T125-G140 WeakPolarHBondContact CG2-O 3.47Å; G140-E142 PolarHBondContact O-N 3.06Å; G140-N267 VanDerWaalsContact CA-ND2 3.32Å; G140-N267 WeakPolarHBondContact CA-ND2 3.25Å
141I78.9Confident69.7Low0 Ų061.1 Ų61.10%039%0.39CS..PPolyproline II helixtrans-70117.8163.9-97.2143.9000104.2G124 T145 V147 T196 R238 T264 N267G124-I141 WeakPolarHBondContact O-CA 3.09Å; G124-I141 WeakPolarHBondContact O-CB 2.77Å; G124-I141 WeakPolarHBondContact O-CD1 3.17Å; G124-I141 WeakPolarHBondContact O-CG1 3.16Å; G124-I141 PolarHBondContact O-N 2.93Å; I141-T145 HydrophobicContact CG1-CG2 4.45Å; I141-T145 HydrophobicContact CG2-CG2 4.27Å; I141-V147 HydrophobicContact CD1-CG2 4.42Å; I141-T196 HydrophobicContact CD1-CG2 3.86Å; I141-T196 HydrophobicContact CG1-CG2 4.17Å; I141-R238 HydrophobicContact CD1-CB 3.78Å; I141-R238 HydrophobicContact CD1-CG 4.37Å; I141-R238 VanDerWaalsContact CD1-O 3.25Å; I141-R238 WeakPolarHBondContact CD1-O 3.44Å; I141-T264 HydrophobicContact CG2-CG2 3.57Å; I141-T264 WeakPolarHBondContact CG2-OG1 3.47Å; I141-N267 WeakPolarHBondContact O-CB 3.06Å
142E86.6Confident73Confident124 Ų12455.7 Ų55.758%0.57935%0.354SS*.PPolyproline II helixtrans-71.6141.5173.7153.7-160.6-170.500109.5G140 T145 K194G140-E142 PolarHBondContact O-N 3.06Å; E142-T145 WeakPolarHBondContact O-CB 3.13Å; E142-T145 PolarHBondContact O-N 3.21Å; E142-T145 PolarHBondContact O-OG1 3.35Å; E142-K194 PolarHBondContact O-NZ 3.35Å; E142-K194 IonicContact OE1-NZ 2.73Å; E142-K194 IonicContact OE2-NZ 2.73Å; E142-K194 PolarHBondContact OE2-NZ 2.98Å
143P90.2Very high76.2Confident37 Ų3749.7 Ų49.724%0.2431%0.313CS..THydrogen-bonded Turntrans-47151.5176-30.136.8000114.2T145 L265 Y284P143-T145 PolarHBondContact O-N 3.17Å; P143-L265 WeakPolarHBondContact CB-O 3.37Å; P143-Y284 HydrophobicContact CB-CD2 4.27Å; P143-Y284 HydrophobicContact CB-CE2 3.5Å; P143-Y284 VanDerWaalsContact CB-CE2 3.5Å
144G89.6Confident79Confident4 Ų445.6 Ų45.64%0.04128%0.284CS..THydrogen-bonded Turntrans766.6-174.300000113.9T264 Q287G144-T264 PolarHBondContact N-O 3.43Å; G144-Q287 VanDerWaalsContact O-CD 3.31Å; G144-Q287 PolarHBondContact O-NE2 3.16Å; G144-Q287 PolarHBondContact O-OE1 3.4Å
145T92.4Very high82Confident0 Ų037.9 Ų37.90%024%0.243CC..  trans-80.2130.1172.2-56.30000110.4V126 I141 E142 P143 K194 T196 V263 T264V126-T145 HydrophobicContact CG2-CG2 3.66Å; I141-T145 HydrophobicContact CG1-CG2 4.45Å; I141-T145 HydrophobicContact CG2-CG2 4.27Å; E142-T145 WeakPolarHBondContact O-CB 3.13Å; E142-T145 PolarHBondContact O-N 3.21Å; E142-T145 PolarHBondContact O-OG1 3.35Å; P143-T145 PolarHBondContact O-N 3.17Å; T145-K194 HydrophobicContact CG2-CG 4.2Å; T145-K194 VanDerWaalsContact OG1-CD 3.28Å; T145-K194 WeakPolarHBondContact OG1-CD 3.11Å; T145-K194 WeakPolarHBondContact OG1-CE 3.41Å; T145-K194 PolarHBondContact OG1-NZ 2.96Å; T145-K194 VanDerWaalsContact OG1-NZ 3.08Å; T145-T196 HydrophobicContact CG2-CG2 4.07Å; T145-V263 WeakPolarHBondContact O-CA 3.25Å; T145-T264 WeakPolarHBondContact CB-OG1 3.32Å; T145-T264 PolarHBondContact N-OG1 3.24Å; T145-T264 PolarHBondContact O-N 2.95Å; T145-T264 PolarHBondContact O-OG1 3Å
146V94.2Very high84.6Confident0 Ų035 Ų350%021%0.213CC..EExtended strand (participates in β ladder)trans-76.6129.9170.6172.50000110.7V148 V193 K194 H195 T196 V261 C262 Q287 I291V146-V148 HydrophobicContact CG1-CG2 4.41Å; V146-V193 HydrophobicContact CB-CG1 4.25Å; V146-V193 HydrophobicContact CG2-CG1 3.61Å; V146-K194 PolarHBondContact N-O 2.84Å; V146-H195 HydrophobicContact CB-CB 4.24Å; V146-H195 CarbonylContact O-C 3.6Å; V146-H195 WeakPolarHBondContact O-CA 3.46Å; V146-T196 PolarHBondContact O-N 2.93Å; V146-V261 HydrophobicContact CG1-CG1 3.73Å; V146-C262 CarbonylContact C-O 3.56Å; V146-C262 VanDerWaalsContact CA-O 3.25Å; V146-C262 WeakPolarHBondContact CA-O 3.43Å; V146-Q287 HydrophobicContact CG2-CB 3.98Å; V146-I291 HydrophobicContact CG1-CD1 3.94Å
147V95.3Very high87.1Confident0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-109.7118.1174.1-174.20000108.9I141 T196 R238 N239 V261 C262 T264I141-V147 HydrophobicContact CD1-CG2 4.42Å; V147-T196 WeakPolarHBondContact CA-O 3.07Å; V147-T196 HydrophobicContact CB-CG2 4.43Å; V147-T196 HydrophobicContact CG1-CG2 4.36Å; V147-T196 HydrophobicContact CG2-CG2 3.86Å; V147-R238 HydrophobicContact CG1-CB 4.11Å; V147-N239 VanDerWaalsContact CG1-OD1 3.27Å; V147-N239 WeakPolarHBondContact CG1-OD1 3.37Å; V147-N239 HydrophobicContact CG2-CB 4.24Å; V147-V261 WeakPolarHBondContact O-CA 3.27Å; V147-C262 PolarHBondContact N-O 3.44Å; V147-C262 PolarHBondContact O-N 3.22Å; V147-T264 HydrophobicContact CG2-CG2 3.78Å
148V96.1Very high89.5Confident0 Ų033.5 Ų33.50%017%0.166CC..EExtended strand (participates in β ladder)trans-94.3111.3170.3-1730000108V146 V181 L184 I185 T196 A197 G198V146-V148 HydrophobicContact CG1-CG2 4.41Å; V148-V181 HydrophobicContact CG1-CB 4.3Å; V148-V181 HydrophobicContact CG1-CG1 3.88Å; V148-V181 HydrophobicContact CG1-CG2 4.25Å; V148-L184 HydrophobicContact CG1-CB 4.02Å; V148-L184 HydrophobicContact CG1-CD1 4.12Å; V148-L184 HydrophobicContact CG2-CB 4.41Å; V148-I185 HydrophobicContact CB-CG1 4.36Å; V148-I185 HydrophobicContact CG2-CG1 4.42Å; V148-T196 PolarHBondContact N-O 2.9Å; V148-A197 VanDerWaalsContact O-CA 3.27Å; V148-A197 WeakPolarHBondContact O-CA 3.46Å; V148-G198 PolarHBondContact O-N 2.83Å
149S98.1Very high91.8Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-76.3129.7-173.4-490000111.5G151 L176 V181 G198 T200 V260S149-G151 VanDerWaalsContact C-N 3.32Å; S149-L176 VanDerWaalsContact O-CD1 3.23Å; S149-L176 WeakPolarHBondContact O-CD1 3.26Å; S149-V181 VanDerWaalsContact O-CG2 3.24Å; S149-V181 WeakPolarHBondContact O-CG2 3.37Å; S149-G198 CarbonylContact C-O 3.55Å; S149-G198 WeakPolarHBondContact CA-O 3.37Å; S149-T200 WeakPolarHBondContact CB-OG1 3.41Å; S149-T200 PolarHBondContact OG-OG1 3.07Å; S149-V260 PolarHBondContact N-O 2.92Å; S149-V260 WeakPolarHBondContact OG-CG1 3.48Å; S149-V260 PolarHBondContact OG-O 2.93Å
150K97.9Very high93.5Very high97 Ų9728.9 Ų28.942%0.42215%0.148SC..EExtended strand (participates in β ladder)trans-77.9-20.3169.6-65.5-173.7175.6-171.80112.6L176 Q178 V181 G198K150-L176 PolarHBondContact O-N 3.46Å; K150-Q178 PolarHBondContact O-NE2 2.94Å; K150-V181 HydrophobicContact CG-CG1 4.23Å; K150-G198 PolarHBondContact N-O 2.82Å
151G98.4Very high94.9Very high3 Ų328.4 Ų28.43%0.03114%0.142CC..EExtended strand (participates in β ladder)trans168.5167.7-179.200000111.2S149 A174 T200S149-G151 VanDerWaalsContact C-N 3.32Å; G151-A174 CarbonylContact C-O 3.58Å; G151-A174 WeakPolarHBondContact CA-O 3.13Å; G151-T200 PolarHBondContact O-N 3.42Å
152G98.5Very high95.7Very high0 Ų030.2 Ų30.20%015%0.151CC..EExtended strand (participates in β ladder)trans-92.7144.4175.100000112.6P159 A174 T200G152-P159 WeakPolarHBondContact O-CA 3.5Å; G152-A174 PolarHBondContact N-O 2.75Å; G152-A174 WeakPolarHBondContact O-CB 3.38Å; G152-T200 CarbonylContact C-O 3.54Å; G152-T200 VanDerWaalsContact CA-O 3.25Å; G152-T200 WeakPolarHBondContact CA-O 3.49Å
153V98.6Very high96.1Very high2 Ų225.1 Ų25.11%0.01213%0.128CC..EExtended strand (participates in β ladder)trans-121.1142162.4-64.30000110.7L157 K158 P159 L199 T200 M201 G202 V237 C245V153-L157 HydrophobicContact CG2-CD2 4.3Å; V153-K158 CarbonylContact C-O 3.53Å; V153-K158 WeakPolarHBondContact CA-O 3.27Å; V153-P159 HydrophobicContact CG1-CB 4.47Å; V153-L199 HydrophobicContact CG1-CB 4.46Å; V153-L199 HydrophobicContact CG1-CD1 3.9Å; V153-L199 HydrophobicContact CG1-CD2 4.48Å; V153-T200 PolarHBondContact N-O 2.7Å; V153-M201 HydrophobicContact CG2-CB 4.05Å; V153-M201 HydrophobicContact CG2-CG 4.39Å; V153-M201 CarbonylContact O-C 3.52Å; V153-M201 VanDerWaalsContact O-CA 3.27Å; V153-M201 WeakPolarHBondContact O-CA 3.43Å; V153-G202 PolarHBondContact O-N 3.23Å; V153-V237 HydrophobicContact CG2-CG2 3.62Å; V153-C245 PolarHBondContact O-SG 3.44Å; V153-C245 VanDerWaalsContact O-SG 3.36Å
154N97.5Very high96.1Very high7 Ų724.1 Ų24.14%0.03712%0.122CC..  trans-81.7-173.7179.665.616.9000112.8L156 L157 K158 H160 G202N154-L156 PolarHBondContact O-N 2.85Å; N154-L156 VanDerWaalsContact O-N 3.08Å; N154-L156 WeakPolarHBondContact OD1-CA 3.5Å; N154-L156 WeakPolarHBondContact OD1-CB 3.24Å; N154-L156 PolarHBondContact OD1-N 2.73Å; N154-L157 WeakPolarHBondContact O-CA 3.24Å; N154-L157 PolarHBondContact O-N 2.94Å; N154-L157 PolarHBondContact OD1-N 3.25Å; N154-K158 PolarHBondContact N-O 3.42Å; N154-K158 PolarHBondContact OD1-N 2.98Å; N154-K158 VanDerWaalsContact OD1-N 3.13Å; N154-K158 PolarHBondContact OD1-O 2.96Å; N154-H160 WeakPolarHBondContact CB-O 3.47Å; N154-H160 PolarHBondContact ND2-O 3.41Å; N154-G202 WeakPolarHBondContact CA-O 3.43Å
155G95.9Very high96.1Very high1 Ų127.4 Ų27.41%0.0113%0.133CC..THydrogen-bonded Turntrans-62.2-10.1176.700000116.6G477G155-G477 WeakPolarHBondContact O-CA 3.09Å; G155-G477 PolarHBondContact O-N 3.15Å
156L97.1Very high96Very high51 Ų5128.2 Ų28.227%0.26714%0.137SC..THydrogen-bonded Turntrans-96.68.1168.4-64.8177.7000112.8N154 K158 F474 G477 K479N154-L156 PolarHBondContact O-N 2.85Å; N154-L156 VanDerWaalsContact O-N 3.08Å; N154-L156 WeakPolarHBondContact OD1-CA 3.5Å; N154-L156 WeakPolarHBondContact OD1-CB 3.24Å; N154-L156 PolarHBondContact OD1-N 2.73Å; L156-K158 HydrophobicContact CB-CG 4.02Å; L156-K158 PolarHBondContact O-N 3.2Å; L156-F474 HydrophobicContact CD1-CE1 4.13Å; L156-F474 HydrophobicContact CD2-CD1 4Å; L156-F474 HydrophobicContact CD2-CE1 4.3Å; L156-F474 HydrophobicContact CG-CD1 3.78Å; L156-F474 HydrophobicContact CG-CE1 3.66Å; L156-G477 WeakPolarHBondContact CD2-O 3.27Å; L156-K479 HydrophobicContact CD1-CD 4.29Å; L156-K479 HydrophobicContact CD1-CG 4.17Å; L156-K479 HydrophobicContact CD2-CG 4.17Å; L156-K479 HydrophobicContact CG-CG 4.41Å
157L97.5Very high95.8Very high25 Ų2529 Ų2913%0.13115%0.145CC..SBendtrans57.730.7-172.7-57.1179.4000113V153 N154 M201 F228 T231 A232 I235V153-L157 HydrophobicContact CG2-CD2 4.3Å; N154-L157 WeakPolarHBondContact O-CA 3.24Å; N154-L157 PolarHBondContact O-N 2.94Å; N154-L157 PolarHBondContact OD1-N 3.25Å; L157-M201 HydrophobicContact CD2-SD 3.64Å; L157-F228 HydrophobicContact CD1-CE2 3.88Å; L157-F228 HydrophobicContact CD1-CZ 4.5Å; L157-F228 HydrophobicContact CD2-CE2 4.15Å; L157-F228 HydrophobicContact CD2-CZ 3.96Å; L157-F228 HydrophobicContact CG-CE2 3.95Å; L157-F228 HydrophobicContact CG-CZ 4.25Å; L157-T231 HydrophobicContact CD1-CG2 3.87Å; L157-A232 HydrophobicContact CD1-CB 4.28Å; L157-A232 HydrophobicContact CD2-CB 3.87Å; L157-I235 HydrophobicContact CB-CD1 3.71Å; L157-I235 HydrophobicContact CD1-CD1 4.35Å; L157-I235 HydrophobicContact CD2-CD1 4.33Å; L157-I235 HydrophobicContact CG-CD1 4.35Å
158K97.9Very high95.7Very high119 Ų11935.2 Ų35.252%0.51717%0.172SC..  trans-102.3144.6176.4-61.5-56-174.4-176.10110.8V153 N154 L156 H160V153-K158 CarbonylContact C-O 3.53Å; V153-K158 WeakPolarHBondContact CA-O 3.27Å; N154-K158 PolarHBondContact N-O 3.42Å; N154-K158 PolarHBondContact OD1-N 2.98Å; N154-K158 VanDerWaalsContact OD1-N 3.13Å; N154-K158 PolarHBondContact OD1-O 2.96Å; L156-K158 HydrophobicContact CB-CG 4.02Å; L156-K158 PolarHBondContact O-N 3.2Å; K158-H160 PolarHBondContact O-N 3.08Å
159P97.9Very high95.6Very high62 Ų6238.3 Ų38.340%0.40319%0.194SC..SBendtrans-7846.6-174.835-38000112.9G152 V153 A174G152-P159 WeakPolarHBondContact O-CA 3.5Å; V153-P159 HydrophobicContact CG1-CB 4.47Å; P159-A174 PolarHBondContact O-N 3.08Å; P159-A174 VanDerWaalsContact O-N 3.1Å
160H97.6Very high95.4Very high62 Ų6239.4 Ų39.429%0.28720%0.201SC..EExtended strand (participates in β ladder)trans-134.2139.3-173.8-55-43.4000111.2N154 K158 Q171 Y172N154-H160 WeakPolarHBondContact CB-O 3.47Å; N154-H160 PolarHBondContact ND2-O 3.41Å; K158-H160 PolarHBondContact O-N 3.08Å; H160-Q171 HydrophobicContact CB-CB 4.28Å; H160-Y172 CarbonylContact C-O 3.49Å; H160-Y172 WeakPolarHBondContact CA-O 3.48Å
161F97.5Very high95.3Very high3 Ų340 Ų401%0.01321%0.205CC..EExtended strand (participates in β ladder)trans-84.7122.9159.6174.7-128.4000109E90 L94 T163 Q171 Y172 C245 C246 S249E90-F161 HydrophobicContact CB-CE2 4.46Å; E90-F161 VanDerWaalsContact CD-CE2 3.48Å; E90-F161 HydrophobicContact CG-CE2 4.32Å; E90-F161 WeakPolarHBondContact OE2-CE2 3.11Å; L94-F161 HydrophobicContact CD1-CE1 4.2Å; L94-F161 HydrophobicContact CD1-CZ 3.79Å; L94-F161 HydrophobicContact CD2-CE1 4.37Å; F161-T163 HydrophobicContact CD1-CG2 4.32Å; F161-T163 HydrophobicContact CE1-CG2 3.69Å; F161-T163 HydrophobicContact CZ-CG2 4.1Å; F161-Q171 CarbonylContact O-C 3.45Å; F161-Q171 WeakPolarHBondContact O-CA 3.23Å; F161-Y172 HydrophobicContact CD1-CD2 4.24Å; F161-Y172 PolarHBondContact N-O 3.45Å; F161-Y172 PolarHBondContact O-N 2.82Å; F161-C245 HydrophobicContact CB-CB 4.07Å; F161-C245 WeakPolarHBondContact CB-O 3.33Å; F161-C245 HydrophobicContact CD2-CB 4.21Å; F161-C246 HydrophobicContact CD1-CB 4.29Å; F161-C246 HydrophobicContact CD2-CB 3.91Å; F161-C246 HydrophobicContact CE1-CB 4.04Å; F161-C246 HydrophobicContact CE2-CB 3.69Å; F161-C246 HydrophobicContact CG-CB 4.23Å; F161-C246 HydrophobicContact CZ-CB 3.76Å; F161-S249 VanDerWaalsContact CB-OG 3.22Å; F161-S249 WeakPolarHBondContact CB-OG 3.31Å; F161-S249 WeakPolarHBondContact CD1-OG 3.24Å; F161-S249 WeakPolarHBondContact CG-OG 3.32Å
162E94.9Very high95.2Very high37 Ų3741.5 Ų41.517%0.17321%0.21CC..EExtended strand (participates in β ladder)trans-103.2126.4176.5-175.1170.6-17800109.9S169 V170 Q171 K479E162-S169 PolarHBondContact OE1-OG 3.4Å; E162-S169 VanDerWaalsContact OE1-OG 3.13Å; E162-V170 WeakPolarHBondContact CA-O 3.03Å; E162-Q171 HydrophobicContact CB-CG 4.36Å; E162-Q171 HydrophobicContact CG-CG 4.27Å; E162-K479 IonicContact OE1-NZ 3.5Å; E162-K479 PolarHBondContact OE1-NZ 3.17Å; E162-K479 WeakPolarHBondContact OE2-CE 3.49Å; E162-K479 IonicContact OE2-NZ 3.71Å; E162-K479 PolarHBondContact OE2-NZ 3.45Å
163T94.4Very high95.2Very high18 Ų1844.8 Ų44.811%0.1123%0.228CC..EExtended strand (participates in β ladder)trans-144.4-177176.3-172.50000110.1F161 V170 Y172F161-T163 HydrophobicContact CD1-CG2 4.32Å; F161-T163 HydrophobicContact CE1-CG2 3.69Å; F161-T163 HydrophobicContact CZ-CG2 4.1Å; T163-V170 HydrophobicContact CG2-CG2 3.61Å; T163-V170 PolarHBondContact N-O 3.44Å; T163-V170 WeakPolarHBondContact O-CG2 3.4Å; T163-V170 PolarHBondContact O-N 2.93Å; T163-Y172 HydrophobicContact CG2-CD2 4.16Å; T163-Y172 HydrophobicContact CG2-CE2 3.83Å
164C91.2Very high95.2Very high15 Ų1544.7 Ų44.710%0.10123%0.227CC..EExtended strand (participates in β ladder)trans-117.1145.2174.762.40000111.4K168 V466 G519C164-K168 CarbonylContact C-O 3.52Å; C164-K168 VanDerWaalsContact CA-O 3.3Å; C164-K168 WeakPolarHBondContact CA-O 3.47Å; C164-V466 HydrophobicContact CB-CG1 4.37Å; C164-G519 WeakPolarHBondContact O-CA 3.43Å
165R89.9Confident95.2Very high74 Ų7446 Ų4628%0.27924%0.237SC..EExtended strand (participates in β ladder)trans-138.4119.6171.3-176.9-176.465.6-176.2-3.8110G167 K168 V170 E518 C528R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 3.48Å; R165-K168 PolarHBondContact N-O 2.78Å; R165-K168 PolarHBondContact O-N 3.22Å; R165-V170 HydrophobicContact CB-CG2 4.4Å; R165-E518 HydrophobicContact CG-CB 4.3Å; R165-C528 PolarHBondContact NH1-O 3.4Å
166L89.4Confident95.4Very high16 Ų1646.6 Ų46.68%0.08424%0.24CC..THydrogen-bonded Turntrans46.745.4176.2-59.1-179.6000113.9G521 C529 N534 K535 F538L166-G521 VanDerWaalsContact CD2-CA 3.49Å; L166-C529 WeakPolarHBondContact CD1-O 3.47Å; L166-N534 HydrophobicContact CD1-CB 3.84Å; L166-K535 HydrophobicContact CD1-CB 4.34Å; L166-K535 HydrophobicContact CD2-CB 4.16Å; L166-K535 HydrophobicContact CD2-CG 4.32Å; L166-F538 VanDerWaalsContact C-CD2 3.42Å; L166-F538 HydrophobicContact CB-CB 4.28Å; L166-F538 HydrophobicContact CB-CD1 4.46Å; L166-F538 HydrophobicContact CB-CG 4.35Å; L166-F538 HydrophobicContact CD2-CD1 4.02Å
167G91.1Very high95.4Very high17 Ų1746.1 Ų46.118%0.17524%0.237CC..THydrogen-bonded Turntrans87.23.2178.300000115.6R165 G465R165-G167 VanDerWaalsContact C-N 3.27Å; R165-G167 PolarHBondContact O-N 3.48Å; G167-G465 WeakPolarHBondContact CA-O 3.11Å; G167-G465 PolarHBondContact N-O 3.48Å
168K92.7Very high95.4Very high130 Ų13048.9 Ų48.957%0.56525%0.25SC*.EExtended strand (participates in β ladder)trans-116.4133.4179.2-60.3-177.2-179.7-178.50110.5C164 R165C164-K168 CarbonylContact C-O 3.52Å; C164-K168 VanDerWaalsContact CA-O 3.3Å; C164-K168 WeakPolarHBondContact CA-O 3.47Å; R165-K168 PolarHBondContact N-O 2.78Å; R165-K168 PolarHBondContact O-N 3.22Å
169S93.8Very high95.4Very high66 Ų6648.7 Ų48.746%0.46225%0.25SS..EExtended strand (participates in β ladder)trans-71136.4165.61740000108.6E162E162-S169 PolarHBondContact OE1-OG 3.4Å; E162-S169 VanDerWaalsContact OE1-OG 3.13Å
170V94Very high95.4Very high23 Ų2346 Ų4614%0.13923%0.232CC..EExtended strand (participates in β ladder)trans-134.9146.4-179.7-66.70000109.4E162 T163 R165 Y172E162-V170 WeakPolarHBondContact CA-O 3.03Å; T163-V170 HydrophobicContact CG2-CG2 3.61Å; T163-V170 PolarHBondContact N-O 3.44Å; T163-V170 WeakPolarHBondContact O-CG2 3.4Å; T163-V170 PolarHBondContact O-N 2.93Å; R165-V170 HydrophobicContact CB-CG2 4.4Å; V170-Y172 HydrophobicContact CB-CE2 4.19Å; V170-Y172 HydrophobicContact CG2-CD2 4.38Å; V170-Y172 HydrophobicContact CG2-CE2 3.52Å
171Q95.9Very high95.3Very high108 Ų10843.1 Ų43.151%0.50522%0.219SC..EExtended strand (participates in β ladder)trans-120.8135176-69.6-179.6-10.800109.2H160 F161 E162H160-Q171 HydrophobicContact CB-CB 4.28Å; F161-Q171 CarbonylContact O-C 3.45Å; F161-Q171 WeakPolarHBondContact O-CA 3.23Å; E162-Q171 HydrophobicContact CB-CG 4.36Å; E162-Q171 HydrophobicContact CG-CG 4.27Å
172Y96.7Very high95.3Very high35 Ų3549.2 Ų49.214%0.13725%0.248CC..EExtended strand (participates in β ladder)trans-123.5141.3178.3-61.2-64.1000110.4H160 F161 T163 V170 A174 R253H160-Y172 CarbonylContact C-O 3.49Å; H160-Y172 WeakPolarHBondContact CA-O 3.48Å; F161-Y172 HydrophobicContact CD1-CD2 4.24Å; F161-Y172 PolarHBondContact N-O 3.45Å; F161-Y172 PolarHBondContact O-N 2.82Å; T163-Y172 HydrophobicContact CG2-CD2 4.16Å; T163-Y172 HydrophobicContact CG2-CE2 3.83Å; V170-Y172 HydrophobicContact CB-CE2 4.19Å; V170-Y172 HydrophobicContact CG2-CD2 4.38Å; V170-Y172 HydrophobicContact CG2-CE2 3.52Å; Y172-A174 PolarHBondContact O-N 3.27Å; Y172-R253 HydrophobicContact CD1-CG 4.3Å; Y172-R253 VanDerWaalsContact CE2-NH1 3.29Å; Y172-R253 VanDerWaalsContact CZ-CZ 3.43Å
173D98Very high95.4Very high70 Ų7051.3 Ų51.337%0.37426%0.258SS..EExtended strand (participates in β ladder)trans-58.2126.4175.4-177-12.2000111S175 S249 K252D173-S175 VanDerWaalsContact OD1-CB 3.26Å; D173-S175 WeakPolarHBondContact OD1-CB 3.08Å; D173-S175 PolarHBondContact OD1-N 2.91Å; D173-S175 PolarHBondContact OD1-OG 3.45Å; D173-S175 PolarHBondContact OD2-OG 2.7Å; D173-S175 VanDerWaalsContact OD2-OG 3.13Å; D173-S249 WeakPolarHBondContact O-CA 3.26Å; D173-S249 VanDerWaalsContact O-CB 3.25Å; D173-S249 WeakPolarHBondContact O-CB 3.15Å; D173-K252 HydrophobicContact CB-CD 4.26Å; D173-K252 IonicContact OD1-NZ 2.69Å; D173-K252 WeakPolarHBondContact OD2-CE 3.36Å; D173-K252 IonicContact OD2-NZ 3.81Å; D173-K252 PolarHBondContact OD2-NZ 2.97Å
174A98.4Very high95.4Very high0 Ų051.3 Ų51.30%026%0.257CS..  trans-104.720.9-179.300000113.3G151 G152 P159 Y172 C245 A248G151-A174 CarbonylContact C-O 3.58Å; G151-A174 WeakPolarHBondContact CA-O 3.13Å; G152-A174 PolarHBondContact N-O 2.75Å; G152-A174 WeakPolarHBondContact O-CB 3.38Å; P159-A174 PolarHBondContact O-N 3.08Å; P159-A174 VanDerWaalsContact O-N 3.1Å; Y172-A174 PolarHBondContact O-N 3.27Å; A174-C245 HydrophobicContact CB-CB 4.36Å; A174-A248 HydrophobicContact CB-CB 4.43Å; A174-A248 VanDerWaalsContact O-CB 3.25Å; A174-A248 WeakPolarHBondContact O-CB 3.39Å
175S98.3Very high95.5Very high34 Ų3451.6 Ų51.624%0.23826%0.257CS..BIsolated β-bridgetrans-70.4149.5170.752.60000112.4D173 K252D173-S175 VanDerWaalsContact OD1-CB 3.26Å; D173-S175 WeakPolarHBondContact OD1-CB 3.08Å; D173-S175 PolarHBondContact OD1-N 2.91Å; D173-S175 PolarHBondContact OD1-OG 3.45Å; D173-S175 PolarHBondContact OD2-OG 2.7Å; D173-S175 VanDerWaalsContact OD2-OG 3.13Å; S175-K252 PolarHBondContact OG-NZ 2.86Å
176L98.5Very high95.7Very high14 Ų1450.5 Ų50.57%0.07326%0.264CS..  trans-104.4169.1175.7-70.3162.4000110.8S149 K150 Q178 A248 A258 V260S149-L176 VanDerWaalsContact O-CD1 3.23Å; S149-L176 WeakPolarHBondContact O-CD1 3.26Å; K150-L176 PolarHBondContact O-N 3.46Å; L176-Q178 PolarHBondContact O-N 3.32Å; L176-Q178 VanDerWaalsContact O-N 3.17Å; L176-Q178 PolarHBondContact O-NE2 3.46Å; L176-A248 HydrophobicContact CD2-CB 3.59Å; L176-A248 HydrophobicContact CG-CB 3.85Å; L176-A258 HydrophobicContact CD2-CB 4.5Å; L176-A258 WeakPolarHBondContact CD2-O 3.06Å; L176-V260 HydrophobicContact CD1-CB 3.98Å; L176-V260 HydrophobicContact CD1-CG2 3.8Å; L176-V260 HydrophobicContact CD2-CG2 4.22Å
177D97.7Very high95.8Very high40 Ų4051.5 Ų51.521%0.21427%0.271CS..  trans-67.3110.2176.4-177-40.3000110.2Q179 L180 V181 R257D177-Q179 VanDerWaalsContact C-N 3.32Å; D177-Q179 PolarHBondContact O-N 2.98Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.29Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.47Å; D177-Q179 PolarHBondContact OD1-N 3.17Å; D177-L180 HydrophobicContact CB-CB 3.91Å; D177-L180 PolarHBondContact O-N 3.2Å; D177-L180 PolarHBondContact OD1-N 2.85Å; D177-V181 VanDerWaalsContact O-CG2 3.31Å; D177-V181 WeakPolarHBondContact O-CG2 3.43Å; D177-V181 PolarHBondContact O-N 3.22Å; D177-R257 IonicContact OD1-NH2 2.58Å; D177-R257 WeakPolarHBondContact OD2-CD 3.47Å; D177-R257 VanDerWaalsContact OD2-CG 3.26Å; D177-R257 WeakPolarHBondContact OD2-CG 3.45Å; D177-R257 IonicContact OD2-CZ 2.74Å; D177-R257 IonicContact OD2-NE 3.92Å; D177-R257 PolarHBondContact OD2-NE 2.73Å; D177-R257 IonicContact OD2-NH2 3.86Å
178Q98.1Very high95.7Very high84 Ų8450.7 Ų50.739%0.39326%0.263SS..Hα-helixtrans-67.9-32.5-175.1-58.8-54-61.800112.6K150 L176 V181 E182K150-Q178 PolarHBondContact O-NE2 2.94Å; L176-Q178 PolarHBondContact O-N 3.32Å; L176-Q178 VanDerWaalsContact O-N 3.17Å; L176-Q178 PolarHBondContact O-NE2 3.46Å; Q178-V181 WeakPolarHBondContact O-CB 3.17Å; Q178-V181 PolarHBondContact O-N 3.3Å; Q178-E182 WeakPolarHBondContact O-CG 3.17Å; Q178-E182 PolarHBondContact O-N 2.95Å
179Q97.8Very high95.7Very high114 Ų11451.7 Ų51.753%0.53326%0.263SS..Hα-helixtrans-67.6-43.7177-174.4-172.1-21.600110.4D177 V181 E182 E183D177-Q179 VanDerWaalsContact C-N 3.32Å; D177-Q179 PolarHBondContact O-N 2.98Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.29Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.47Å; D177-Q179 PolarHBondContact OD1-N 3.17Å; Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.83Å; Q179-E182 PolarHBondContact O-N 2.53Å; Q179-E183 WeakPolarHBondContact CG-OE1 3.47Å; Q179-E183 PolarHBondContact NE2-OE1 3.3Å; Q179-E183 WeakPolarHBondContact O-CG 3.45Å; Q179-E183 PolarHBondContact O-N 2.97Å
180L96.8Very high95.5Very high5 Ų554.4 Ų54.43%0.02627%0.268CS..Hα-helixtrans-64-35175.7-175.158.9000111.8L113 F115 D177 L184 A259L113-L180 HydrophobicContact CD1-CD1 4.46Å; F115-L180 HydrophobicContact CE1-CD1 4.24Å; F115-L180 HydrophobicContact CE1-CD2 4.26Å; F115-L180 HydrophobicContact CE1-CG 4.46Å; F115-L180 HydrophobicContact CZ-CD1 4.12Å; F115-L180 HydrophobicContact CZ-CD2 4.29Å; D177-L180 HydrophobicContact CB-CB 3.91Å; D177-L180 PolarHBondContact O-N 3.2Å; D177-L180 PolarHBondContact OD1-N 2.85Å; L180-L184 WeakPolarHBondContact O-CB 3.15Å; L180-L184 WeakPolarHBondContact O-CG 3.12Å; L180-L184 PolarHBondContact O-N 3.01Å; L180-A259 HydrophobicContact CD2-CB 3.84Å; L180-A259 HydrophobicContact CG-CB 4.07Å
181V96.6Very high95.1Very high2 Ų256 Ų561%0.01228%0.275CS..Hα-helixtrans-62.8-45.4172.9166.60000111.2V148 S149 K150 D177 Q178 Q179 L184 I185V148-V181 HydrophobicContact CG1-CB 4.3Å; V148-V181 HydrophobicContact CG1-CG1 3.88Å; V148-V181 HydrophobicContact CG1-CG2 4.25Å; S149-V181 VanDerWaalsContact O-CG2 3.24Å; S149-V181 WeakPolarHBondContact O-CG2 3.37Å; K150-V181 HydrophobicContact CG-CG1 4.23Å; D177-V181 VanDerWaalsContact O-CG2 3.31Å; D177-V181 WeakPolarHBondContact O-CG2 3.43Å; D177-V181 PolarHBondContact O-N 3.22Å; Q178-V181 WeakPolarHBondContact O-CB 3.17Å; Q178-V181 PolarHBondContact O-N 3.3Å; Q179-V181 VanDerWaalsContact C-N 3.28Å; Q179-V181 PolarHBondContact O-N 2.83Å; V181-L184 PolarHBondContact O-N 3.04Å; V181-I185 HydrophobicContact CG1-CD1 3.85Å; V181-I185 VanDerWaalsContact O-CG1 3.27Å; V181-I185 WeakPolarHBondContact O-CG1 3.43Å; V181-I185 PolarHBondContact O-N 2.79Å
182E97.3Very high94.9Very high132 Ų13260 Ų6062%0.61729%0.291SS*.Hα-helixtrans-63.6-42.5176.8-72.8171.9-172.200112.3Q178 Q179 L184 I185 A186Q178-E182 WeakPolarHBondContact O-CG 3.17Å; Q178-E182 PolarHBondContact O-N 2.95Å; Q179-E182 PolarHBondContact O-N 2.53Å; E182-L184 PolarHBondContact O-N 2.82Å; E182-I185 PolarHBondContact O-N 3.39Å; E182-A186 PolarHBondContact O-N 2.8Å
183E96.2Very high94.4Very high80 Ų8059.5 Ų59.537%0.37429%0.292SS..Hα-helixtrans-57-47.2173.4-72.1166.9-164.600110.8Q179 I185 A186 V187 R257Q179-E183 WeakPolarHBondContact CG-OE1 3.47Å; Q179-E183 PolarHBondContact NE2-OE1 3.3Å; Q179-E183 WeakPolarHBondContact O-CG 3.45Å; Q179-E183 PolarHBondContact O-N 2.97Å; E183-I185 PolarHBondContact O-N 3.42Å; E183-A186 WeakPolarHBondContact O-CB 3.27Å; E183-A186 PolarHBondContact O-N 3.27Å; E183-V187 WeakPolarHBondContact O-CG2 3.42Å; E183-V187 PolarHBondContact O-N 2.76Å; E183-R257 IonicContact OE1-NH2 3.9Å
184L94.6Very high94Very high18 Ų1859.3 Ų59.39%0.09429%0.288CS..Hα-helixtrans-65.6-37.8177.6-75170.6000113.3F115 V148 L180 V181 E182 A186 V187 C188 A259 V261 I291F115-L184 HydrophobicContact CD1-CD1 4.39Å; F115-L184 HydrophobicContact CE1-CD1 4.05Å; F115-L184 HydrophobicContact CE1-CD2 4.07Å; F115-L184 HydrophobicContact CE1-CG 4.42Å; V148-L184 HydrophobicContact CG1-CB 4.02Å; V148-L184 HydrophobicContact CG1-CD1 4.12Å; V148-L184 HydrophobicContact CG2-CB 4.41Å; L180-L184 WeakPolarHBondContact O-CB 3.15Å; L180-L184 WeakPolarHBondContact O-CG 3.12Å; L180-L184 PolarHBondContact O-N 3.01Å; V181-L184 PolarHBondContact O-N 3.04Å; E182-L184 PolarHBondContact O-N 2.82Å; L184-A186 VanDerWaalsContact C-N 3.33Å; L184-V187 PolarHBondContact O-N 2.98Å; L184-C188 PolarHBondContact O-N 3.06Å; L184-C188 PolarHBondContact O-SG 2.99Å; L184-A259 HydrophobicContact CD1-CB 3.36Å; L184-V261 HydrophobicContact CD1-CG2 3.87Å; L184-I291 HydrophobicContact CD2-CG2 3.78Å
185I94.1Very high93.8Very high22 Ų2261.1 Ų61.111%0.11330%0.296CS..Hα-helixtrans-62.6-43.2174.1-70164.3000110V148 V181 E182 E183 V187 C188 R189 A197V148-I185 HydrophobicContact CB-CG1 4.36Å; V148-I185 HydrophobicContact CG2-CG1 4.42Å; V181-I185 HydrophobicContact CG1-CD1 3.85Å; V181-I185 VanDerWaalsContact O-CG1 3.27Å; V181-I185 WeakPolarHBondContact O-CG1 3.43Å; V181-I185 PolarHBondContact O-N 2.79Å; E182-I185 PolarHBondContact O-N 3.39Å; E183-I185 PolarHBondContact O-N 3.42Å; I185-V187 VanDerWaalsContact C-N 3.33Å; I185-V187 PolarHBondContact O-N 3.19Å; I185-C188 WeakPolarHBondContact O-CB 3.35Å; I185-C188 PolarHBondContact O-N 2.81Å; I185-R189 WeakPolarHBondContact O-CG 3.32Å; I185-R189 PolarHBondContact O-N 3.37Å; I185-A197 HydrophobicContact CD1-CB 3.61Å; I185-A197 HydrophobicContact CG1-CB 4.24Å
186A94.6Very high93.5Very high51 Ų5160.3 Ų60.342%0.42129%0.29SS..Hα-helixtrans-60.4-42.4175.800000111.6E182 E183 L184 R189 Q190E182-A186 PolarHBondContact O-N 2.8Å; E183-A186 WeakPolarHBondContact O-CB 3.27Å; E183-A186 PolarHBondContact O-N 3.27Å; L184-A186 VanDerWaalsContact C-N 3.33Å; A186-R189 PolarHBondContact O-N 3.25Å; A186-Q190 WeakPolarHBondContact O-CB 3.28Å; A186-Q190 PolarHBondContact O-N 2.93Å
187V89.8Confident93.3Very high37 Ų3761 Ų6122%0.22430%0.297CS..Hα-helixtrans-64-41.9174.8-178.90000111.3E183 L184 I185 R189 Q190 L191 I291E183-V187 WeakPolarHBondContact O-CG2 3.42Å; E183-V187 PolarHBondContact O-N 2.76Å; L184-V187 PolarHBondContact O-N 2.98Å; I185-V187 VanDerWaalsContact C-N 3.33Å; I185-V187 PolarHBondContact O-N 3.19Å; V187-R189 VanDerWaalsContact C-N 3.32Å; V187-R189 PolarHBondContact O-N 2.72Å; V187-Q190 PolarHBondContact O-N 3.31Å; V187-L191 HydrophobicContact CG1-CD1 3.66Å; V187-L191 HydrophobicContact CG1-CG 4.15Å; V187-L191 WeakPolarHBondContact O-CB 3.35Å; V187-L191 VanDerWaalsContact O-CG 3.29Å; V187-L191 WeakPolarHBondContact O-CG 3.02Å; V187-L191 PolarHBondContact O-N 2.86Å; V187-I291 HydrophobicContact CB-CG2 3.68Å; V187-I291 HydrophobicContact CG1-CB 4.37Å; V187-I291 HydrophobicContact CG1-CG2 3.35Å
188C89.6Confident93.2Very high0 Ų059.4 Ų59.40%029%0.29CS..Hα-helixtrans-59.4-42.7175.9-67.90000112.2L184 I185 L191 K192 V193 H195L184-C188 PolarHBondContact O-N 3.06Å; L184-C188 PolarHBondContact O-SG 2.99Å; I185-C188 WeakPolarHBondContact O-CB 3.35Å; I185-C188 PolarHBondContact O-N 2.81Å; C188-L191 PolarHBondContact O-N 3.31Å; C188-K192 PolarHBondContact O-N 3.31Å; C188-K192 VanDerWaalsContact O-N 3.09Å; C188-V193 PolarHBondContact O-N 2.72Å; C188-H195 HydrophobicContact CB-CB 3.77Å; C188-H195 WeakPolarHBondContact CB-ND1 3.39Å
189R92.5Very high93.2Very high151 Ų15157.5 Ų57.557%0.5728%0.283SS*.Hα-helixtrans-62.1-46.4175-69.5171.7-179.9161.9-5.8111.4I185 A186 V187 L191 K192 H195I185-R189 WeakPolarHBondContact O-CG 3.32Å; I185-R189 PolarHBondContact O-N 3.37Å; A186-R189 PolarHBondContact O-N 3.25Å; V187-R189 VanDerWaalsContact C-N 3.32Å; V187-R189 PolarHBondContact O-N 2.72Å; R189-L191 VanDerWaalsContact C-N 3.32Å; R189-L191 PolarHBondContact O-N 2.95Å; R189-K192 PolarHBondContact O-N 2.73Å; R189-K192 VanDerWaalsContact O-N 3.08Å; R189-H195 VanDerWaalsContact CG-CE1 3.47Å; R189-H195 WeakPolarHBondContact CG-CE1 3.15Å
190Q90.4Very high93.2Very high122 Ų12252.1 Ų52.157%0.5726%0.257SS*.Hα-helixtrans-59.6-42.9178.3-177.5179.13.900112A186 V187 K192A186-Q190 WeakPolarHBondContact O-CB 3.28Å; A186-Q190 PolarHBondContact O-N 2.93Å; V187-Q190 PolarHBondContact O-N 3.31Å; Q190-K192 PolarHBondContact O-N 3.02Å
191L86.1Confident93.3Very high56 Ų5651.9 Ų51.929%0.29326%0.256SS..THydrogen-bonded Turntrans-79.1-3.5179.1-63.6172.8000113.5V187 C188 R189 V193 K290 R293V187-L191 HydrophobicContact CG1-CD1 3.66Å; V187-L191 HydrophobicContact CG1-CG 4.15Å; V187-L191 WeakPolarHBondContact O-CB 3.35Å; V187-L191 VanDerWaalsContact O-CG 3.29Å; V187-L191 WeakPolarHBondContact O-CG 3.02Å; V187-L191 PolarHBondContact O-N 2.86Å; C188-L191 PolarHBondContact O-N 3.31Å; R189-L191 VanDerWaalsContact C-N 3.32Å; R189-L191 PolarHBondContact O-N 2.95Å; L191-V193 HydrophobicContact CB-CG2 3.82Å; L191-V193 PolarHBondContact O-N 3.11Å; L191-V193 VanDerWaalsContact O-N 3.16Å; L191-K290 WeakPolarHBondContact CD1-O 3.49Å; L191-R293 HydrophobicContact CD2-CB 4.37Å
192K90.1Very high93.3Very high194 Ų19451.8 Ų51.884%0.84326%0.256SS*.THydrogen-bonded Turntrans52.533-175-55.5-178.7-179.3-178.40112.3C188 R189 Q190C188-K192 PolarHBondContact O-N 3.31Å; C188-K192 VanDerWaalsContact O-N 3.09Å; R189-K192 PolarHBondContact O-N 2.73Å; R189-K192 VanDerWaalsContact O-N 3.08Å; Q190-K192 PolarHBondContact O-N 3.02Å
193V87.3Confident93.1Very high23 Ų2345.7 Ų45.714%0.13923%0.227CC..  trans-80.5137.3173.9175.30000107.7V146 C188 L191 H195V146-V193 HydrophobicContact CB-CG1 4.25Å; V146-V193 HydrophobicContact CG2-CG1 3.61Å; C188-V193 PolarHBondContact O-N 2.72Å; L191-V193 HydrophobicContact CB-CG2 3.82Å; L191-V193 PolarHBondContact O-N 3.11Å; L191-V193 VanDerWaalsContact O-N 3.16Å; V193-H195 PolarHBondContact O-N 3.27Å; V193-H195 PolarHBondContact O-ND1 2.87Å
194K90.2Very high92.9Very high67 Ų6742.5 Ų42.529%0.29121%0.213SC..  trans-66119.6174.9-172.6-174.2-179.9-167.10109.1E142 T145 V146E142-K194 PolarHBondContact O-NZ 3.35Å; E142-K194 IonicContact OE1-NZ 2.73Å; E142-K194 IonicContact OE2-NZ 2.73Å; E142-K194 PolarHBondContact OE2-NZ 2.98Å; T145-K194 HydrophobicContact CG2-CG 4.2Å; T145-K194 VanDerWaalsContact OG1-CD 3.28Å; T145-K194 WeakPolarHBondContact OG1-CD 3.11Å; T145-K194 WeakPolarHBondContact OG1-CE 3.41Å; T145-K194 PolarHBondContact OG1-NZ 2.96Å; T145-K194 VanDerWaalsContact OG1-NZ 3.08Å; V146-K194 PolarHBondContact N-O 2.84Å
195H92.5Very high92.9Very high38 Ų3841.6 Ų41.618%0.17621%0.208CC..EExtended strand (participates in β ladder)trans-142.7161.6-173.365-78.2000112.8V126 V146 C188 R189 V193V126-H195 VanDerWaalsContact CG1-O 3.3Å; V126-H195 WeakPolarHBondContact CG1-O 3.45Å; V146-H195 HydrophobicContact CB-CB 4.24Å; V146-H195 CarbonylContact O-C 3.6Å; V146-H195 WeakPolarHBondContact O-CA 3.46Å; C188-H195 HydrophobicContact CB-CB 3.77Å; C188-H195 WeakPolarHBondContact CB-ND1 3.39Å; R189-H195 VanDerWaalsContact CG-CE1 3.47Å; R189-H195 WeakPolarHBondContact CG-CE1 3.15Å; V193-H195 PolarHBondContact O-N 3.27Å; V193-H195 PolarHBondContact O-ND1 2.87Å
196T93.8Very high93Very high17 Ų1742.1 Ų42.110%0.10421%0.21CC..EExtended strand (participates in β ladder)trans-148.1165.9168.4-170.70000109.4I141 T145 V146 V147 V148 R238I141-T196 HydrophobicContact CD1-CG2 3.86Å; I141-T196 HydrophobicContact CG1-CG2 4.17Å; T145-T196 HydrophobicContact CG2-CG2 4.07Å; V146-T196 PolarHBondContact O-N 2.93Å; V147-T196 WeakPolarHBondContact CA-O 3.07Å; V147-T196 HydrophobicContact CB-CG2 4.43Å; V147-T196 HydrophobicContact CG1-CG2 4.36Å; V147-T196 HydrophobicContact CG2-CG2 3.86Å; V148-T196 PolarHBondContact N-O 2.9Å; T196-R238 HydrophobicContact CG2-CB 4.48Å
197A93.9Very high93Very high28 Ų2840 Ų4023%0.23119%0.191CC..EExtended strand (participates in β ladder)trans-131.1139.9175.500000110.5V148 I185V148-A197 VanDerWaalsContact O-CA 3.27Å; V148-A197 WeakPolarHBondContact O-CA 3.46Å; I185-A197 HydrophobicContact CD1-CB 3.61Å; I185-A197 HydrophobicContact CG1-CB 4.24Å
198G95.2Very high93.2Very high7 Ų738.2 Ų38.27%0.07218%0.18CC..EExtended strand (participates in β ladder)trans-176.7-170.5-176.500000112V148 S149 K150V148-G198 PolarHBondContact O-N 2.83Å; S149-G198 CarbonylContact C-O 3.55Å; S149-G198 WeakPolarHBondContact CA-O 3.37Å; K150-G198 PolarHBondContact N-O 2.82Å
199L97.6Very high93.5Very high44 Ų4438.5 Ų38.523%0.2318%0.182CC..EExtended strand (participates in β ladder)trans-78.5152.4172.1-60.8171.6000110V153 I235 G236 V237 R238V153-L199 HydrophobicContact CG1-CB 4.46Å; V153-L199 HydrophobicContact CG1-CD1 3.9Å; V153-L199 HydrophobicContact CG1-CD2 4.48Å; L199-I235 HydrophobicContact CD1-CD1 4.43Å; L199-I235 WeakPolarHBondContact CD1-O 3.37Å; L199-G236 PolarHBondContact N-O 2.85Å; L199-V237 HydrophobicContact CB-CG2 3.99Å; L199-V237 CarbonylContact O-C 3.6Å; L199-V237 VanDerWaalsContact O-CA 3.3Å; L199-V237 WeakPolarHBondContact O-CA 3.32Å; L199-R238 PolarHBondContact O-N 3.03Å
200T98.3Very high93.6Very high0 Ų031.7 Ų31.70%016%0.156CC..EExtended strand (participates in β ladder)trans-118.1128.9172.8-62.80000108.7S149 G151 G152 V153 N239 E241 C244S149-T200 WeakPolarHBondContact CB-OG1 3.41Å; S149-T200 PolarHBondContact OG-OG1 3.07Å; G151-T200 PolarHBondContact O-N 3.42Å; G152-T200 CarbonylContact C-O 3.54Å; G152-T200 VanDerWaalsContact CA-O 3.25Å; G152-T200 WeakPolarHBondContact CA-O 3.49Å; V153-T200 PolarHBondContact N-O 2.7Å; T200-N239 WeakPolarHBondContact CA-O 3.47Å; T200-N239 WeakPolarHBondContact CG2-ND2 3.18Å; T200-N239 PolarHBondContact OG1-OD1 3.05Å; T200-E241 HydrophobicContact CG2-CB 3.39Å; T200-C244 HydrophobicContact CG2-CB 3.71Å
201M98Very high93.8Very high0 Ų025.9 Ų25.90%013%0.129CC..EExtended strand (participates in β ladder)trans-84.2123175.9-178.2166.715400110V153 L157 E209 F228 V237 N239 F240 E241V153-M201 HydrophobicContact CG2-CB 4.05Å; V153-M201 HydrophobicContact CG2-CG 4.39Å; V153-M201 CarbonylContact O-C 3.52Å; V153-M201 VanDerWaalsContact O-CA 3.27Å; V153-M201 WeakPolarHBondContact O-CA 3.43Å; L157-M201 HydrophobicContact CD2-SD 3.64Å; M201-E209 WeakPolarHBondContact CE-O 3.41Å; M201-F228 HydrophobicContact CE-CE1 3.93Å; M201-F228 HydrophobicContact CE-CZ 3.72Å; M201-F228 HydrophobicContact SD-CE1 3.96Å; M201-F228 HydrophobicContact SD-CZ 3.69Å; M201-V237 HydrophobicContact CB-CG1 4Å; M201-N239 PolarHBondContact N-O 3.17Å; M201-F240 HydrophobicContact CB-CD1 3.89Å; M201-F240 HydrophobicContact CB-CE1 3.96Å; M201-F240 HydrophobicContact CB-CG 4.46Å; M201-F240 HydrophobicContact CE-CD1 4.49Å; M201-F240 HydrophobicContact CE-CE1 3.98Å; M201-F240 HydrophobicContact CG-CD1 4.05Å; M201-F240 HydrophobicContact CG-CE1 3.96Å; M201-F240 WeakPolarHBondContact O-CA 3.27Å; M201-F240 HydrophobicContact SD-CD1 4.08Å; M201-F240 HydrophobicContact SD-CE1 3.4Å; M201-F240 WeakPolarHBondContact SD-CE1 3.25Å; M201-F240 HydrophobicContact SD-CZ 4.12Å; M201-E241 PolarHBondContact O-N 3.44Å; M201-E241 VanDerWaalsContact O-O 3.14Å
202G97.3Very high94.3Very high1 Ų123.7 Ų23.71%0.0112%0.117CC..  trans-115.8140.7177.400000112.1V153 N154 E241V153-G202 PolarHBondContact O-N 3.23Å; N154-G202 WeakPolarHBondContact CA-O 3.43Å; G202-E241 WeakPolarHBondContact CA-O 2.85Å
203N92.7Very high94.4Very high3 Ų316.4 Ų16.42%0.0169%0.09CC..  trans-168.2161.9-165.979.1-70.3000110.5D205 E209 Q210 M242N203-D205 PolarHBondContact ND2-N 2.9Å; N203-D205 PolarHBondContact ND2-O 2.95Å; N203-E209 HydrophobicContact CB-CB 4.14Å; N203-E209 WeakPolarHBondContact CB-OE2 3.49Å; N203-E209 WeakPolarHBondContact ND2-CB 3.35Å; N203-E209 PolarHBondContact ND2-OE2 3.02Å; N203-E209 VanDerWaalsContact ND2-OE2 3.14Å; N203-Q210 WeakPolarHBondContact ND2-CG 3.5Å; N203-Q210 WeakPolarHBondContact OD1-CG 3.18Å; N203-Q210 PolarHBondContact OD1-NE2 3.18Å; N203-M242 PolarHBondContact N-O 3.24Å; N203-M242 VanDerWaalsContact N-O 3.11Å; N203-M242 WeakPolarHBondContact O-CA 3.49Å; N203-M242 WeakPolarHBondContact O-CB 3Å; N203-M242 WeakPolarHBondContact O-CE 3.39Å; N203-M242 WeakPolarHBondContact O-CG 3.11Å
204N92Very high94.5Very high13 Ų1316.9 Ų16.97%0.079%0.092CC..SBendtrans-100.8-8.5-175.3-79.5-47.1000115.2E90 E209 M242 A417 N514E90-N204 WeakPolarHBondContact CB-OD1 3.08Å; E90-N204 VanDerWaalsContact CG-OD1 3.3Å; E90-N204 WeakPolarHBondContact CG-OD1 3.5Å; E90-N204 PolarHBondContact N-OD1 3.01Å; E90-N204 VanDerWaalsContact N-OD1 3.14Å; E90-N204 PolarHBondContact OE2-ND2 3.27Å; N204-E209 PolarHBondContact N-OE2 2.78Å; N204-M242 VanDerWaalsContact O-CE 3.31Å; N204-M242 WeakPolarHBondContact O-CE 3.49Å; N204-A417 WeakPolarHBondContact O-CA 3.46Å; N204-A417 WeakPolarHBondContact O-CB 3.43Å; N204-N514 PolarHBondContact ND2-ND2 2.95Å; N204-N514 PolarHBondContact OD1-ND2 2.94Å
205D95.5Very high94.6Very high0 Ų014.3 Ų14.30%08%0.084CC..  trans-114.7109.4176.7-176.6-18.4000110.7N203 Y207 E208 E209 Q210 L420 R475N203-D205 PolarHBondContact ND2-N 2.9Å; N203-D205 PolarHBondContact ND2-O 2.95Å; D205-Y207 PolarHBondContact O-N 2.64Å; D205-Y207 PolarHBondContact OD1-N 3.01Å; D205-E208 PolarHBondContact OD1-N 2.88Å; D205-E209 HydrophobicContact CB-CB 3.81Å; D205-E209 HydrophobicContact CB-CG 3.65Å; D205-E209 PolarHBondContact N-OE2 2.95Å; D205-E209 WeakPolarHBondContact O-CB 3.35Å; D205-Q210 PolarHBondContact O-N 3.47Å; D205-L420 HydrophobicContact CB-CD1 3.92Å; D205-R475 IonicContact OD2-CZ 2.69Å; D205-R475 IonicContact OD2-NH1 2.81Å; D205-R475 IonicContact OD2-NH2 3.73Å; D205-R475 PolarHBondContact OD2-NH2 2.67Å; D205-R475 VanDerWaalsContact OD2-NH2 3.14Å
206F94.9Very high94.6Very high33 Ų3313.2 Ų13.215%0.1458%0.082CC..THydrogen-bonded Turntrans-57.9-33.9-179.5179.4-96.3000112.5Q210 R212 M242 H321 I421F206-Q210 WeakPolarHBondContact O-CB 3.35Å; F206-Q210 WeakPolarHBondContact O-CG 3.05Å; F206-R212 WeakPolarHBondContact O-CD 3.33Å; F206-M242 HydrophobicContact CB-CE 4.44Å; F206-M242 HydrophobicContact CB-SD 4.2Å; F206-M242 HydrophobicContact CD2-SD 4.38Å; F206-H321 AromaticContact CD1-CE1 3.64Å; F206-H321 AromaticContact CD2-CE1 3.82Å; F206-H321 AromaticContact CE1-CE1 3.56Å; F206-H321 AromaticContact CE2-CE1 3.74Å; F206-H321 AromaticContact CG-CE1 3.78Å; F206-H321 AromaticContact CZ-CE1 3.61Å; F206-I421 HydrophobicContact CB-CD1 3.92Å; F206-I421 HydrophobicContact CB-CG1 3.61Å; F206-I421 HydrophobicContact CG-CG1 4.4Å
207Y94.9Very high94.5Very high6 Ų613.5 Ų13.52%0.0248%0.082CC..THydrogen-bonded Turntrans-88.7-76.5-176-69.8-77.5000110.9D205 Q210 G211 R212 D214 G215 H424 E425D205-Y207 PolarHBondContact O-N 2.64Å; D205-Y207 PolarHBondContact OD1-N 3.01Å; Y207-Q210 PolarHBondContact O-N 2.79Å; Y207-G211 PolarHBondContact O-N 2.89Å; Y207-R212 HydrophobicContact CD1-CB 4.46Å; Y207-R212 WeakPolarHBondContact O-CB 3.25Å; Y207-R212 PolarHBondContact O-N 2.62Å; Y207-D214 WeakPolarHBondContact CD1-OD1 3.49Å; Y207-G215 VanDerWaalsContact CD1-CA 3.43Å; Y207-H424 HydrophobicContact CD2-CB 3.35Å; Y207-H424 AromaticContact CD2-CG 3.5Å; Y207-H424 AromaticContact CD2-ND1 3.94Å; Y207-H424 HydrophobicContact CE2-CB 3.41Å; Y207-H424 VanDerWaalsContact CE2-CB 3.41Å; Y207-H424 HydrophobicContact CG-CB 4.15Å; Y207-H424 AromaticContact CG-CG 3.99Å; Y207-H424 AromaticContact CG-ND1 3.94Å; Y207-E425 HydrophobicContact CE2-CG 4.13Å; Y207-E425 WeakPolarHBondContact OH-CG 3.46Å; Y207-E425 PolarHBondContact OH-OE1 3.48Å
208E94.6Very high94.4Very high0 Ų014.7 Ų14.70%09%0.089CC..THydrogen-bonded Turntrans-77.5-33.7-163-60.4-174.17400112.8D205 G211 L217 F220 H424 R475 R563D205-E208 PolarHBondContact OD1-N 2.88Å; E208-G211 PolarHBondContact O-N 3.03Å; E208-G211 VanDerWaalsContact O-N 3.16Å; E208-L217 WeakPolarHBondContact CG-O 3.22Å; E208-F220 HydrophobicContact CB-CE1 4.23Å; E208-H424 IonicContact OE2-CE1 3.24Å; E208-H424 IonicContact OE2-NE2 3.89Å; E208-R475 VanDerWaalsContact CB-NH2 3.34Å; E208-R475 VanDerWaalsContact CD-CZ 3.43Å; E208-R475 VanDerWaalsContact CD-NE 3.27Å; E208-R475 IonicContact OE1-CZ 2.77Å; E208-R475 IonicContact OE1-NE 3.52Å; E208-R475 PolarHBondContact OE1-NE 3.29Å; E208-R475 IonicContact OE1-NH2 2.61Å; E208-R475 PolarHBondContact OE1-NH2 3.49Å; E208-R475 IonicContact OE2-CZ 3.74Å; E208-R475 IonicContact OE2-NE 2.66Å; E208-R475 IonicContact OE2-NH2 2.82Å; E208-R475 PolarHBondContact OE2-NH2 3.49Å; E208-R563 IonicContact OE1-CZ 3.39Å; E208-R563 IonicContact OE1-NH1 3.62Å; E208-R563 IonicContact OE1-NH2 2.91Å; E208-R563 PolarHBondContact OE1-NH2 3.13Å; E208-R563 IonicContact OE2-CZ 2.7Å; E208-R563 IonicContact OE2-NH1 3.14Å; E208-R563 PolarHBondContact OE2-NH1 2.69Å; E208-R563 IonicContact OE2-NH2 3.8Å; E208-R563 PolarHBondContact OE2-NH2 3.29Å
209E95.9Very high94.1Very high6 Ų618 Ų183%0.02811%0.111CC..THydrogen-bonded Turntrans-75.5-25.4177.5-76.8178.2178.200113.1M201 N203 N204 D205 T473 F474M201-E209 WeakPolarHBondContact CE-O 3.41Å; N203-E209 HydrophobicContact CB-CB 4.14Å; N203-E209 WeakPolarHBondContact CB-OE2 3.49Å; N203-E209 WeakPolarHBondContact ND2-CB 3.35Å; N203-E209 PolarHBondContact ND2-OE2 3.02Å; N203-E209 VanDerWaalsContact ND2-OE2 3.14Å; N204-E209 PolarHBondContact N-OE2 2.78Å; D205-E209 HydrophobicContact CB-CB 3.81Å; D205-E209 HydrophobicContact CB-CG 3.65Å; D205-E209 PolarHBondContact N-OE2 2.95Å; D205-E209 WeakPolarHBondContact O-CB 3.35Å; E209-T473 VanDerWaalsContact CD-OG1 3.28Å; E209-T473 VanDerWaalsContact CG-OG1 3.27Å; E209-T473 WeakPolarHBondContact CG-OG1 3.46Å; E209-T473 WeakPolarHBondContact OE1-CB 3.02Å; E209-T473 PolarHBondContact OE1-OG1 2.99Å; E209-F474 WeakPolarHBondContact CA-O 3.41Å; E209-F474 HydrophobicContact CG-CB 3.98Å; E209-F474 HydrophobicContact CG-CD2 4.35Å; E209-F474 WeakPolarHBondContact CG-O 3.49Å; E209-F474 PolarHBondContact OE1-N 2.77Å
210Q95.3Very high94Very high7 Ų716.8 Ų16.83%0.03310%0.104CC..THydrogen-bonded Turntrans-81.8-2.1169.3-59.4-166.612.300112.1N203 D205 F206 Y207 R212 F240 R268N203-Q210 WeakPolarHBondContact ND2-CG 3.5Å; N203-Q210 WeakPolarHBondContact OD1-CG 3.18Å; N203-Q210 PolarHBondContact OD1-NE2 3.18Å; D205-Q210 PolarHBondContact O-N 3.47Å; F206-Q210 WeakPolarHBondContact O-CB 3.35Å; F206-Q210 WeakPolarHBondContact O-CG 3.05Å; Y207-Q210 PolarHBondContact O-N 2.79Å; Q210-R212 VanDerWaalsContact C-N 3.34Å; Q210-R212 HydrophobicContact CB-CG 4.16Å; Q210-F240 HydrophobicContact CB-CD1 4.18Å; Q210-F240 HydrophobicContact CG-CD1 4.07Å; Q210-R268 PolarHBondContact O-NH1 2.94Å; Q210-R268 PolarHBondContact O-NH2 3.36Å
211G94.8Very high93.9Very high0 Ų020.4 Ų20.40%013%0.126CC..THydrogen-bonded Turntrans7422.8-17900000113.5Y207 E208 F220 S225Y207-G211 PolarHBondContact O-N 2.89Å; E208-G211 PolarHBondContact O-N 3.03Å; E208-G211 VanDerWaalsContact O-N 3.16Å; G211-F220 VanDerWaalsContact C-CE2 3.49Å; G211-F220 WeakPolarHBondContact O-CE2 3.37Å; G211-S225 WeakPolarHBondContact O-CB 3.44Å; G211-S225 PolarHBondContact O-OG 3.28Å
212R94.6Very high93.6Very high10 Ų1026.6 Ų26.64%0.03816%0.155CC..  trans-77.6137.6175.7-50.2178.656.1102.1-15.2110.1F206 Y207 Q210 D214 F220 D272F206-R212 WeakPolarHBondContact O-CD 3.33Å; Y207-R212 HydrophobicContact CD1-CB 4.46Å; Y207-R212 WeakPolarHBondContact O-CB 3.25Å; Y207-R212 PolarHBondContact O-N 2.62Å; Q210-R212 VanDerWaalsContact C-N 3.34Å; Q210-R212 HydrophobicContact CB-CG 4.16Å; R212-D214 WeakPolarHBondContact CB-OD1 3.41Å; R212-D214 IonicContact CZ-OD1 2.81Å; R212-D214 IonicContact CZ-OD2 3.11Å; R212-D214 IonicContact NE-OD1 2.9Å; R212-D214 PolarHBondContact NE-OD1 3.2Å; R212-D214 IonicContact NE-OD2 3.88Å; R212-D214 IonicContact NH2-OD1 3.27Å; R212-D214 IonicContact NH2-OD2 2.83Å; R212-D214 PolarHBondContact NH2-OD2 2.97Å; R212-F220 WeakPolarHBondContact O-CZ 3.26Å; R212-D272 VanDerWaalsContact CZ-CB 3.47Å; R212-D272 IonicContact CZ-OD1 3.68Å; R212-D272 VanDerWaalsContact NH1-CB 3.29Å; R212-D272 VanDerWaalsContact NH1-CG 3.28Å; R212-D272 PolarHBondContact NH1-O 3.43Å; R212-D272 IonicContact NH1-OD1 3.51Å; R212-D272 PolarHBondContact NH1-OD1 2.7Å; R212-D272 PolarHBondContact NH2-O 2.66Å
213C92.8Very high93.5Very high41 Ų4133.5 Ų33.528%0.27718%0.184SC..SBendtrans-92.8-0.3179.2-65.70000113.6E222C213-E222 HydrophobicContact CB-CG 4.16Å
214D90.6Very high93.7Very high34 Ų3437.5 Ų37.518%0.18220%0.203CC..  trans-99.715.6-171.569.5-24.6000113.7Y207 R212 Q273 K428Y207-D214 WeakPolarHBondContact CD1-OD1 3.49Å; R212-D214 WeakPolarHBondContact CB-OD1 3.41Å; R212-D214 IonicContact CZ-OD1 2.81Å; R212-D214 IonicContact CZ-OD2 3.11Å; R212-D214 IonicContact NE-OD1 2.9Å; R212-D214 PolarHBondContact NE-OD1 3.2Å; R212-D214 IonicContact NE-OD2 3.88Å; R212-D214 IonicContact NH2-OD1 3.27Å; R212-D214 IonicContact NH2-OD2 2.83Å; R212-D214 PolarHBondContact NH2-OD2 2.97Å; D214-Q273 PolarHBondContact OD2-NE2 2.74Å; D214-K428 VanDerWaalsContact O-CD 3.27Å; D214-K428 WeakPolarHBondContact O-CD 3.23Å; D214-K428 VanDerWaalsContact O-CE 3.26Å; D214-K428 WeakPolarHBondContact O-CE 3.46Å; D214-K428 PolarHBondContact O-NZ 3.33Å
215G91.9Very high93.8Very high13 Ų1337.2 Ų37.213%0.13420%0.202CC..SBendtrans-84164.817300000113.1Y207 L217 H424Y207-G215 VanDerWaalsContact CD1-CA 3.43Å; G215-L217 PolarHBondContact O-N 2.83Å; G215-H424 WeakPolarHBondContact CA-ND1 3.26Å
216A91.1Very high93.7Very high15 Ų1541.6 Ų41.612%0.12422%0.221CC..SBendtrans-60.3-29.5173.500000114.5H424 T427 K428 R431 F560A216-H424 HydrophobicContact CB-CB 4.49Å; A216-H424 WeakPolarHBondContact CB-O 3.42Å; A216-H424 PolarHBondContact N-ND1 2.64Å; A216-H424 VanDerWaalsContact N-ND1 3.12Å; A216-T427 HydrophobicContact CB-CG2 3.72Å; A216-K428 HydrophobicContact CB-CG 3.91Å; A216-R431 PolarHBondContact O-NH1 3.29Å; A216-F560 HydrophobicContact CB-CZ 4.18Å
217L92.3Very high93.7Very high22 Ų2244.2 Ų44.212%0.11523%0.234CC..  trans-119.1135.6172.6-59.2179.5000107.6E208 G215 H424 F560 R563 A564E208-L217 WeakPolarHBondContact CG-O 3.22Å; G215-L217 PolarHBondContact O-N 2.83Å; L217-H424 PolarHBondContact O-CE1 2.85Å; L217-F560 HydrophobicContact CD1-CD2 3.64Å; L217-F560 HydrophobicContact CD1-CE2 3.59Å; L217-F560 HydrophobicContact CD1-CG 4.21Å; L217-F560 HydrophobicContact CD1-CZ 4.13Å; L217-F560 HydrophobicContact CG-CD2 4.4Å; L217-F560 HydrophobicContact CG-CE2 3.84Å; L217-F560 HydrophobicContact CG-CZ 4.16Å; L217-R563 HydrophobicContact CD1-CB 4.06Å; L217-A564 HydrophobicContact CD1-CB 4.37Å; L217-A564 HydrophobicContact CD2-CB 4.06Å
218C92.5Very high93.8Very high54 Ų5444.5 Ų44.537%0.36524%0.235SC..  trans-150.8131.2174.6-174.50000108.1F220C218-F220 PolarHBondContact SG-O 2.82Å
219S89.4Confident93.8Very high76 Ų7644.5 Ų44.553%0.53124%0.235SC..  trans-120.718.2-177.572.20000113.1
220F94.7Very high93.7Very high19 Ų1950.9 Ų50.98%0.08326%0.259CS..SBendtrans-144.4158.3-179.150.1-99.7000109.7E208 G211 R212 C218 E224 L476E208-F220 HydrophobicContact CB-CE1 4.23Å; G211-F220 VanDerWaalsContact C-CE2 3.49Å; G211-F220 WeakPolarHBondContact O-CE2 3.37Å; R212-F220 WeakPolarHBondContact O-CZ 3.26Å; C218-F220 PolarHBondContact SG-O 2.82Å; F220-E224 HydrophobicContact CB-CB 4.43Å; F220-L476 HydrophobicContact CB-CD1 3.62Å; F220-L476 HydrophobicContact CB-CG 4.43Å; F220-L476 HydrophobicContact CD1-CD1 4.25Å; F220-L476 HydrophobicContact CD1-CG 4.15Å; F220-L476 HydrophobicContact CD2-CD1 4.09Å; F220-L476 HydrophobicContact CD2-CD2 4.33Å; F220-L476 HydrophobicContact CD2-CG 4.46Å; F220-L476 HydrophobicContact CE2-CD2 4.4Å; F220-L476 HydrophobicContact CG-CD1 3.72Å; F220-L476 HydrophobicContact CG-CD2 4.43Å; F220-L476 HydrophobicContact CG-CG 4.09Å
221T95.5Very high93.7Very high76 Ų7654 Ų5447%0.46628%0.279SS..  trans-87160.4179.562.20000111.6K223 E224 S225T221-K223 PolarHBondContact O-N 2.79Å; T221-E224 WeakPolarHBondContact CB-OE2 3.21Å; T221-E224 PolarHBondContact N-OE2 3.2Å; T221-E224 PolarHBondContact O-N 2.6Å; T221-E224 WeakPolarHBondContact OG1-CG 3.32Å; T221-E224 PolarHBondContact OG1-N 3.27Å; T221-E224 PolarHBondContact OG1-OE2 2.97Å; T221-S225 PolarHBondContact O-N 2.92Å
222E93Very high93.7Very high130 Ų13054 Ų5461%0.60728%0.279SS*.Hα-helixtrans-57.7-31.2172.2-68-173.2-179.500112.7C213 S225 K226C213-E222 HydrophobicContact CB-CG 4.16Å; E222-S225 WeakPolarHBondContact O-CB 3.38Å; E222-S225 PolarHBondContact O-N 3.39Å; E222-K226 WeakPolarHBondContact O-CB 3.07Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 3.03Å
223K94.8Very high93.7Very high146 Ų14655.5 Ų55.564%0.63529%0.285SS*.Hα-helixtrans-63.4-51176.4-179.1-178.1171.9-174.90110.9T221 S225 K226 E227T221-K223 PolarHBondContact O-N 2.79Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 2.64Å; K223-K226 PolarHBondContact O-N 3.25Å; K223-E227 WeakPolarHBondContact CE-OE1 3.31Å; K223-E227 WeakPolarHBondContact O-CG 3.26Å; K223-E227 PolarHBondContact O-N 3.44Å
224E96.5Very high93.7Very high86 Ų8659.4 Ų59.440%0.40230%0.303SS..Hα-helixtrans-62.6-38177.6-67.2165.8109.400111.2F220 T221 E227 F228 L476F220-E224 HydrophobicContact CB-CB 4.43Å; T221-E224 WeakPolarHBondContact CB-OE2 3.21Å; T221-E224 PolarHBondContact N-OE2 3.2Å; T221-E224 PolarHBondContact O-N 2.6Å; T221-E224 WeakPolarHBondContact OG1-CG 3.32Å; T221-E224 PolarHBondContact OG1-N 3.27Å; T221-E224 PolarHBondContact OG1-OE2 2.97Å; E224-E227 PolarHBondContact O-N 3.36Å; E224-F228 PolarHBondContact O-N 2.99Å; E224-L476 HydrophobicContact CB-CD1 3.52Å
225S95Very high93.9Very high8 Ų861.5 Ų61.56%0.05631%0.313CS..Hα-helixtrans-57.9-51.9172.3171.70000112G211 T221 E222 K223 E227 F228 L229G211-S225 WeakPolarHBondContact O-CB 3.44Å; G211-S225 PolarHBondContact O-OG 3.28Å; T221-S225 PolarHBondContact O-N 2.92Å; E222-S225 WeakPolarHBondContact O-CB 3.38Å; E222-S225 PolarHBondContact O-N 3.39Å; K223-S225 VanDerWaalsContact C-N 3.28Å; K223-S225 PolarHBondContact O-N 2.64Å; S225-E227 VanDerWaalsContact C-N 3.31Å; S225-E227 PolarHBondContact O-N 3.2Å; S225-F228 WeakPolarHBondContact O-CB 3.43Å; S225-F228 PolarHBondContact O-N 2.72Å; S225-F228 VanDerWaalsContact O-N 3.11Å; S225-L229 WeakPolarHBondContact O-CG 3.31Å; S225-L229 PolarHBondContact O-N 3.04Å
226K93.3Very high94.1Very high91 Ų9161.7 Ų61.740%0.39632%0.315SS..Hα-helixtrans-61.2-37.5178.6-75.2174.5178.6171.10112.5E222 K223 L229 R230E222-K226 WeakPolarHBondContact O-CB 3.07Å; E222-K226 WeakPolarHBondContact O-CG 3.4Å; E222-K226 PolarHBondContact O-N 3.03Å; K223-K226 PolarHBondContact O-N 3.25Å; K226-L229 PolarHBondContact O-N 2.95Å; K226-R230 WeakPolarHBondContact O-CG 3.41Å; K226-R230 PolarHBondContact O-N 2.74Å
227E95Very high94.3Very high89 Ų8961 Ų6142%0.41631%0.309SS..Hα-helixtrans-64-40.5174.3-73170.9-174.900112.1K223 E224 S225 R230 T231K223-E227 WeakPolarHBondContact CE-OE1 3.31Å; K223-E227 WeakPolarHBondContact O-CG 3.26Å; K223-E227 PolarHBondContact O-N 3.44Å; E224-E227 PolarHBondContact O-N 3.36Å; S225-E227 VanDerWaalsContact C-N 3.31Å; S225-E227 PolarHBondContact O-N 3.2Å; E227-R230 PolarHBondContact O-N 2.66Å; E227-T231 PolarHBondContact O-N 3.22Å; E227-T231 PolarHBondContact O-OG1 2.93Å
228F95.6Very high94.5Very high11 Ų1162 Ų625%0.04831%0.311CS..Hα-helixtrans-65.1-43.6173.6176.7-108.6000112.4L157 M201 E224 S225 R230 T231 A232 F240 L476L157-F228 HydrophobicContact CD1-CE2 3.88Å; L157-F228 HydrophobicContact CD1-CZ 4.5Å; L157-F228 HydrophobicContact CD2-CE2 4.15Å; L157-F228 HydrophobicContact CD2-CZ 3.96Å; L157-F228 HydrophobicContact CG-CE2 3.95Å; L157-F228 HydrophobicContact CG-CZ 4.25Å; M201-F228 HydrophobicContact CE-CE1 3.93Å; M201-F228 HydrophobicContact CE-CZ 3.72Å; M201-F228 HydrophobicContact SD-CE1 3.96Å; M201-F228 HydrophobicContact SD-CZ 3.69Å; E224-F228 PolarHBondContact O-N 2.99Å; S225-F228 WeakPolarHBondContact O-CB 3.43Å; S225-F228 PolarHBondContact O-N 2.72Å; S225-F228 VanDerWaalsContact O-N 3.11Å; F228-R230 VanDerWaalsContact C-N 3.28Å; F228-R230 PolarHBondContact O-N 3.13Å; F228-T231 WeakPolarHBondContact O-CB 3.48Å; F228-T231 PolarHBondContact O-N 3.27Å; F228-T231 VanDerWaalsContact O-N 3.16Å; F228-A232 PolarHBondContact O-N 3.48Å; F228-F240 HydrophobicContact CE1-CE1 4.43Å; F228-L476 HydrophobicContact CB-CB 4.09Å; F228-L476 HydrophobicContact CB-CD2 3.77Å; F228-L476 HydrophobicContact CB-CG 4.41Å; F228-L476 HydrophobicContact CD1-CD2 3.95Å; F228-L476 HydrophobicContact CD2-CB 4.25Å; F228-L476 HydrophobicContact CG-CB 4.13Å; F228-L476 HydrophobicContact CG-CD2 3.93Å
229L94.7Very high94.7Very high1 Ų159.4 Ų59.41%0.00529%0.294CS..Hα-helixtrans-60.1-38.6176-64.5-174.9000112I123 S225 K226 A232 Y233 F240 R268 F269I123-L229 HydrophobicContact CG2-CD1 4.47Å; I123-L229 HydrophobicContact CG2-CD2 4.26Å; S225-L229 WeakPolarHBondContact O-CG 3.31Å; S225-L229 PolarHBondContact O-N 3.04Å; K226-L229 PolarHBondContact O-N 2.95Å; L229-A232 PolarHBondContact O-N 3.4Å; L229-Y233 WeakPolarHBondContact O-CB 3.12Å; L229-Y233 PolarHBondContact O-N 3.49Å; L229-F240 HydrophobicContact CD2-CE2 3.8Å; L229-F240 HydrophobicContact CD2-CZ 3.54Å; L229-R268 HydrophobicContact CD1-CB 3.97Å; L229-F269 HydrophobicContact CB-CD1 4.4Å; L229-F269 HydrophobicContact CB-CE1 3.71Å; L229-F269 HydrophobicContact CB-CZ 4.06Å
230R94Very high95.1Very high140 Ų14056 Ų5653%0.52827%0.27SS..Hα-helixtrans-62.4-48.5172.6-71.5173.7-174.3168.50.7111.4K226 E227 F228 A232 Y233 D234 F269K226-R230 WeakPolarHBondContact O-CG 3.41Å; K226-R230 PolarHBondContact O-N 2.74Å; E227-R230 PolarHBondContact O-N 2.66Å; F228-R230 VanDerWaalsContact C-N 3.28Å; F228-R230 PolarHBondContact O-N 3.13Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 2.62Å; R230-Y233 WeakPolarHBondContact O-CB 3.35Å; R230-Y233 PolarHBondContact O-N 2.84Å; R230-Y233 VanDerWaalsContact O-N 3.08Å; R230-D234 WeakPolarHBondContact O-CB 3.36Å; R230-D234 PolarHBondContact O-N 3.28Å; R230-F269 HydrophobicContact CG-CE1 3.89Å; R230-F269 HydrophobicContact CG-CZ 4.35Å
231T95Very high95.2Very high72 Ų7255.9 Ų55.944%0.44227%0.269SS..Hα-helixtrans-57.1-43.7177.2-54.30000111.9L157 E227 F228 D234 I235L157-T231 HydrophobicContact CD1-CG2 3.87Å; E227-T231 PolarHBondContact O-N 3.22Å; E227-T231 PolarHBondContact O-OG1 2.93Å; F228-T231 WeakPolarHBondContact O-CB 3.48Å; F228-T231 PolarHBondContact O-N 3.27Å; F228-T231 VanDerWaalsContact O-N 3.16Å; T231-D234 PolarHBondContact O-N 2.6Å; T231-I235 PolarHBondContact O-N 3.4Å
232A95.7Very high95.3Very high0 Ų052.7 Ų52.70%025%0.249CC..Hα-helixtrans-64.4-44175.600000111.6I123 L157 F228 L229 R230 D234 I235 V237I123-A232 HydrophobicContact CD1-CB 4.08Å; L157-A232 HydrophobicContact CD1-CB 4.28Å; L157-A232 HydrophobicContact CD2-CB 3.87Å; F228-A232 PolarHBondContact O-N 3.48Å; L229-A232 PolarHBondContact O-N 3.4Å; R230-A232 VanDerWaalsContact C-N 3.3Å; R230-A232 PolarHBondContact O-N 2.62Å; A232-D234 VanDerWaalsContact C-N 3.34Å; A232-D234 PolarHBondContact O-N 3.39Å; A232-I235 WeakPolarHBondContact O-CG1 3.34Å; A232-I235 PolarHBondContact O-N 3.34Å; A232-V237 HydrophobicContact CB-CB 4.11Å; A232-V237 HydrophobicContact CB-CG2 4.19Å; A232-V237 WeakPolarHBondContact O-CB 3.42Å; A232-V237 WeakPolarHBondContact O-CG2 3.48Å; A232-V237 PolarHBondContact O-N 3.21Å
233Y94Very high95.5Very high42 Ų4246.8 Ų46.817%0.16522%0.222CC..Hα-helixtrans-59.8-43.9177.4175.1-101000112.5G124 V138 L229 R230 I235 G236 R238G124-Y233 VanDerWaalsContact CA-CE2 3.45Å; V138-Y233 HydrophobicContact CG1-CD1 4.16Å; V138-Y233 HydrophobicContact CG1-CE1 3.93Å; V138-Y233 HydrophobicContact CG1-CE2 4.33Å; V138-Y233 HydrophobicContact CG1-CG 4.42Å; V138-Y233 HydrophobicContact CG2-CD1 4.21Å; V138-Y233 HydrophobicContact CG2-CE1 4.03Å; L229-Y233 WeakPolarHBondContact O-CB 3.12Å; L229-Y233 PolarHBondContact O-N 3.49Å; R230-Y233 WeakPolarHBondContact O-CB 3.35Å; R230-Y233 PolarHBondContact O-N 2.84Å; R230-Y233 VanDerWaalsContact O-N 3.08Å; Y233-I235 VanDerWaalsContact C-N 3.28Å; Y233-I235 PolarHBondContact O-N 2.81Å; Y233-G236 WeakPolarHBondContact O-CA 3.47Å; Y233-G236 PolarHBondContact O-N 3.25Å; Y233-R238 PolarHBondContact O-NH1 3.42Å
234D93.9Very high95.7Very high123 Ų12339.8 Ų39.866%0.65819%0.191SC*.Hα-helixtrans-63.4-32.6-176.9-68.5-19.9000112.3R230 T231 A232 G236R230-D234 WeakPolarHBondContact O-CB 3.36Å; R230-D234 PolarHBondContact O-N 3.28Å; T231-D234 PolarHBondContact O-N 2.6Å; A232-D234 VanDerWaalsContact C-N 3.34Å; A232-D234 PolarHBondContact O-N 3.39Å; D234-G236 PolarHBondContact O-N 3.17Å
235I95.1Very high95.8Very high78 Ų7835.7 Ų35.740%0.417%0.172SC..THydrogen-bonded Turntrans-83.11.3174.469.1151.5000113.7L157 L199 T231 A232 Y233 V237L157-I235 HydrophobicContact CB-CD1 3.71Å; L157-I235 HydrophobicContact CD1-CD1 4.35Å; L157-I235 HydrophobicContact CD2-CD1 4.33Å; L157-I235 HydrophobicContact CG-CD1 4.35Å; L199-I235 HydrophobicContact CD1-CD1 4.43Å; L199-I235 WeakPolarHBondContact CD1-O 3.37Å; T231-I235 PolarHBondContact O-N 3.4Å; A232-I235 WeakPolarHBondContact O-CG1 3.34Å; A232-I235 PolarHBondContact O-N 3.34Å; Y233-I235 VanDerWaalsContact C-N 3.28Å; Y233-I235 PolarHBondContact O-N 2.81Å; I235-V237 HydrophobicContact CD1-CG2 4.09Å; I235-V237 HydrophobicContact CG1-CG2 4.07Å
236G94.5Very high95.9Very high17 Ų1735.3 Ų35.318%0.17517%0.17CC..THydrogen-bonded Turntrans1019.2176.700000115.6L199 Y233 D234L199-G236 PolarHBondContact N-O 2.85Å; Y233-G236 WeakPolarHBondContact O-CA 3.47Å; Y233-G236 PolarHBondContact O-N 3.25Å; D234-G236 PolarHBondContact O-N 3.17Å
237V96.2Very high96.2Very high0 Ų031 Ų310%015%0.151CC..EExtended strand (participates in β ladder)trans-68.3137.4172.2-176.40000109.9I123 V153 L199 M201 A232 I235 N239I123-V237 HydrophobicContact CD1-CB 3.99Å; I123-V237 HydrophobicContact CD1-CG1 3.85Å; I123-V237 HydrophobicContact CG1-CG1 4.41Å; V153-V237 HydrophobicContact CG2-CG2 3.62Å; L199-V237 HydrophobicContact CB-CG2 3.99Å; L199-V237 CarbonylContact O-C 3.6Å; L199-V237 VanDerWaalsContact O-CA 3.3Å; L199-V237 WeakPolarHBondContact O-CA 3.32Å; M201-V237 HydrophobicContact CB-CG1 4Å; A232-V237 HydrophobicContact CB-CB 4.11Å; A232-V237 HydrophobicContact CB-CG2 4.19Å; A232-V237 WeakPolarHBondContact O-CB 3.42Å; A232-V237 WeakPolarHBondContact O-CG2 3.48Å; A232-V237 PolarHBondContact O-N 3.21Å; I235-V237 HydrophobicContact CD1-CG2 4.09Å; I235-V237 HydrophobicContact CG1-CG2 4.07Å; V237-N239 WeakPolarHBondContact CG1-O 3.39Å
238R96.2Very high96.4Very high43 Ų4326.8 Ų26.816%0.16213%0.131CC..EExtended strand (participates in β ladder)trans-122.4-18.3179.4-67.5-61.3175.4-91.62.3113.6G122 I123 I141 V147 T196 L199 Y233G122-R238 WeakPolarHBondContact CA-O 3.45Å; I123-R238 PolarHBondContact N-O 3.48Å; I141-R238 HydrophobicContact CD1-CB 3.78Å; I141-R238 HydrophobicContact CD1-CG 4.37Å; I141-R238 VanDerWaalsContact CD1-O 3.25Å; I141-R238 WeakPolarHBondContact CD1-O 3.44Å; V147-R238 HydrophobicContact CG1-CB 4.11Å; T196-R238 HydrophobicContact CG2-CB 4.48Å; L199-R238 PolarHBondContact O-N 3.03Å; Y233-R238 PolarHBondContact O-NH1 3.42Å
239N96.9Very high96.5Very high0 Ų026.3 Ų26.30%013%0.129CC..EExtended strand (participates in β ladder)trans-157.6165.9177.369.9-55.5000112.9S120 G121 V147 T200 M201 V237 T264S120-N239 VanDerWaalsContact CB-ND2 3.35Å; S120-N239 WeakPolarHBondContact CB-ND2 3.33Å; S120-N239 WeakPolarHBondContact OG-CB 3.39Å; S120-N239 PolarHBondContact OG-ND2 3.49Å; G121-N239 CarbonylContact O-C 3.44Å; G121-N239 WeakPolarHBondContact O-CA 3.48Å; G121-N239 WeakPolarHBondContact O-CB 3.29Å; V147-N239 VanDerWaalsContact CG1-OD1 3.27Å; V147-N239 WeakPolarHBondContact CG1-OD1 3.37Å; V147-N239 HydrophobicContact CG2-CB 4.24Å; T200-N239 WeakPolarHBondContact CA-O 3.47Å; T200-N239 WeakPolarHBondContact CG2-ND2 3.18Å; T200-N239 PolarHBondContact OG1-OD1 3.05Å; M201-N239 PolarHBondContact N-O 3.17Å; V237-N239 WeakPolarHBondContact CG1-O 3.39Å; N239-T264 HydrophobicContact CB-CG2 4.42Å
240F97.4Very high96.6Very high4 Ų426.3 Ų26.32%0.01813%0.129CC..EExtended strand (participates in β ladder)trans-110.6125.7174.7-68.7-104.4000109.9S120 G121 I123 M201 Q210 F228 L229S120-F240 WeakPolarHBondContact CA-O 3.38Å; S120-F240 WeakPolarHBondContact CB-O 3.47Å; G121-F240 PolarHBondContact O-N 2.97Å; I123-F240 HydrophobicContact CD1-CE2 3.83Å; I123-F240 HydrophobicContact CD1-CZ 4.45Å; I123-F240 HydrophobicContact CG1-CE2 4.04Å; I123-F240 HydrophobicContact CG2-CD2 4.48Å; I123-F240 HydrophobicContact CG2-CE2 3.87Å; M201-F240 HydrophobicContact CB-CD1 3.89Å; M201-F240 HydrophobicContact CB-CE1 3.96Å; M201-F240 HydrophobicContact CB-CG 4.46Å; M201-F240 HydrophobicContact CE-CD1 4.49Å; M201-F240 HydrophobicContact CE-CE1 3.98Å; M201-F240 HydrophobicContact CG-CD1 4.05Å; M201-F240 HydrophobicContact CG-CE1 3.96Å; M201-F240 WeakPolarHBondContact O-CA 3.27Å; M201-F240 HydrophobicContact SD-CD1 4.08Å; M201-F240 HydrophobicContact SD-CE1 3.4Å; M201-F240 WeakPolarHBondContact SD-CE1 3.25Å; M201-F240 HydrophobicContact SD-CZ 4.12Å; Q210-F240 HydrophobicContact CB-CD1 4.18Å; Q210-F240 HydrophobicContact CG-CD1 4.07Å; F228-F240 HydrophobicContact CE1-CE1 4.43Å; L229-F240 HydrophobicContact CD2-CE2 3.8Å; L229-F240 HydrophobicContact CD2-CZ 3.54Å
241E96.8Very high96.8Very high16 Ų1619.7 Ų19.78%0.07510%0.104CC..  trans-153.6116.9-177.7-149-54.3132.700108.5R116 T200 M201 G202 E243 C244 C262R116-E241 VanDerWaalsContact CZ-CD 3.48Å; R116-E241 IonicContact CZ-OE1 3.09Å; R116-E241 IonicContact CZ-OE2 3.74Å; R116-E241 IonicContact NE-OE1 2.92Å; R116-E241 IonicContact NE-OE2 3.21Å; R116-E241 PolarHBondContact NE-OE2 3Å; R116-E241 IonicContact NH2-OE1 3.97Å; R116-E241 PolarHBondContact NH2-OE1 2.97Å; R116-E241 IonicContact NH2-OE2 3.4Å; R116-E241 PolarHBondContact NH2-OE2 3.23Å; T200-E241 HydrophobicContact CG2-CB 3.39Å; M201-E241 PolarHBondContact O-N 3.44Å; M201-E241 VanDerWaalsContact O-O 3.14Å; G202-E241 WeakPolarHBondContact CA-O 2.85Å; E241-E243 VanDerWaalsContact C-N 3.28Å; E241-E243 PolarHBondContact O-N 2.87Å; E241-E243 VanDerWaalsContact O-N 3.16Å; E241-E243 VanDerWaalsContact OE1-OE2 3.05Å; E241-E243 PolarHBondContact OE2-N 3.45Å; E241-C244 PolarHBondContact O-N 3.24Å; E241-C262 VanDerWaalsContact CG-SG 3.51Å
242M97.4Very high96.9Very high10 Ų1021.2 Ų21.25%0.04911%0.105CC..THydrogen-bonded Turntrans-66-27-156.1-69-178.874.500114I88 N203 N204 F206 A417I88-M242 HydrophobicContact CG2-SD 3.9Å; N203-M242 PolarHBondContact N-O 3.24Å; N203-M242 VanDerWaalsContact N-O 3.11Å; N203-M242 WeakPolarHBondContact O-CA 3.49Å; N203-M242 WeakPolarHBondContact O-CB 3Å; N203-M242 WeakPolarHBondContact O-CE 3.39Å; N203-M242 WeakPolarHBondContact O-CG 3.11Å; N204-M242 VanDerWaalsContact O-CE 3.31Å; N204-M242 WeakPolarHBondContact O-CE 3.49Å; F206-M242 HydrophobicContact CB-CE 4.44Å; F206-M242 HydrophobicContact CB-SD 4.2Å; F206-M242 HydrophobicContact CD2-SD 4.38Å; M242-A417 HydrophobicContact CE-CB 3.4Å; M242-A417 VanDerWaalsContact CE-CB 3.4Å
243E98.1Very high96.8Very high5 Ų524.6 Ų24.62%0.02312%0.117CC..THydrogen-bonded Turntrans-110.22.9-170.1-58.793145.600113.2H86 I88 G89 C93 R116 E241 C245 C246 F247H86-E243 IonicContact CE1-OE1 3.4Å; H86-E243 PolarHBondContact CE1-OE1 3.42Å; H86-E243 IonicContact ND1-OE1 3.96Å; I88-E243 WeakPolarHBondContact CA-OE1 3.36Å; G89-E243 VanDerWaalsContact N-CD 3.28Å; G89-E243 PolarHBondContact N-OE1 2.88Å; G89-E243 VanDerWaalsContact O-CG 3.26Å; G89-E243 WeakPolarHBondContact O-CG 3.3Å; C93-E243 HydrophobicContact CB-CB 4.16Å; C93-E243 HydrophobicContact CB-CG 3.85Å; R116-E243 VanDerWaalsContact CZ-CB 3.46Å; R116-E243 IonicContact CZ-OE2 2.74Å; R116-E243 VanDerWaalsContact CZ-OE2 3.29Å; R116-E243 IonicContact NH1-OE2 2.77Å; R116-E243 IonicContact NH2-OE1 2.71Å; R116-E243 IonicContact NH2-OE2 3.64Å; R116-E243 PolarHBondContact NH2-OE2 2.79Å; E241-E243 VanDerWaalsContact C-N 3.28Å; E241-E243 PolarHBondContact O-N 2.87Å; E241-E243 VanDerWaalsContact O-N 3.16Å; E241-E243 VanDerWaalsContact OE1-OE2 3.05Å; E241-E243 PolarHBondContact OE2-N 3.45Å; E243-C245 PolarHBondContact O-N 3.04Å; E243-C246 PolarHBondContact O-N 3.29Å; E243-C246 PolarHBondContact O-SG 3.4Å; E243-F247 WeakPolarHBondContact O-CB 3.35Å; E243-F247 PolarHBondContact O-N 3.21Å
244C98.4Very high96.9Very high0 Ų023.2 Ų23.20%012%0.115CC..Hα-helixtrans-54.2-41.9-178.2-175.30000112T200 E241 A248T200-C244 HydrophobicContact CG2-CB 3.71Å; E241-C244 PolarHBondContact O-N 3.24Å; C244-A248 WeakPolarHBondContact O-CB 3.41Å; C244-A248 PolarHBondContact O-N 3.42Å
245C98.5Very high96.9Very high0 Ų020.6 Ų20.60%012%0.117CC..Hα-helixtrans-66.6-51.4-178.8-69.60000112.5V153 F161 A174 E243 F247 S249V153-C245 PolarHBondContact O-SG 3.44Å; V153-C245 VanDerWaalsContact O-SG 3.36Å; F161-C245 HydrophobicContact CB-CB 4.07Å; F161-C245 WeakPolarHBondContact CB-O 3.33Å; F161-C245 HydrophobicContact CD2-CB 4.21Å; A174-C245 HydrophobicContact CB-CB 4.36Å; E243-C245 PolarHBondContact O-N 3.04Å; C245-F247 VanDerWaalsContact C-N 3.34Å; C245-F247 PolarHBondContact O-N 3.4Å; C245-S249 WeakPolarHBondContact O-CB 3.48Å; C245-S249 PolarHBondContact O-N 3.03Å; C245-S249 PolarHBondContact O-OG 3.31Å
246C97.9Very high97Very high0 Ų017.3 Ų17.30%010%0.1CC..Hα-helixtrans-66.3-38.1-179.675.20000111.4E90 L94 F161 E243 S249 F250E90-C246 HydrophobicContact CB-CB 4Å; E90-C246 HydrophobicContact CG-CB 3.95Å; L94-C246 HydrophobicContact CD1-CB 4.43Å; L94-C246 HydrophobicContact CD2-CB 4.1Å; L94-C246 HydrophobicContact CG-CB 4.14Å; F161-C246 HydrophobicContact CD1-CB 4.29Å; F161-C246 HydrophobicContact CD2-CB 3.91Å; F161-C246 HydrophobicContact CE1-CB 4.04Å; F161-C246 HydrophobicContact CE2-CB 3.69Å; F161-C246 HydrophobicContact CG-CB 4.23Å; F161-C246 HydrophobicContact CZ-CB 3.76Å; E243-C246 PolarHBondContact O-N 3.29Å; E243-C246 PolarHBondContact O-SG 3.4Å; C246-S249 PolarHBondContact O-OG 3.11Å; C246-F250 WeakPolarHBondContact O-CB 3.43Å; C246-F250 PolarHBondContact O-N 2.94Å
247F98.7Very high97.2Very high0 Ų021 Ų210%011%0.108CC..Hα-helixtrans-64.5-51.4177.5178.9-92.5000112.1C36 L97 F114 R116 E243 C245 F250 C251 A258 V260C36-F247 VanDerWaalsContact SG-CE2 3.52Å; L97-F247 HydrophobicContact CD1-CD2 4.25Å; L97-F247 HydrophobicContact CD2-CD2 3.89Å; L97-F247 HydrophobicContact CD2-CE2 4.09Å; F114-F247 HydrophobicContact CB-CE2 4.27Å; F114-F247 HydrophobicContact CB-CZ 3.82Å; F114-F247 HydrophobicContact CD2-CE2 4.43Å; R116-F247 HydrophobicContact CB-CD1 3.98Å; R116-F247 HydrophobicContact CB-CD2 4.08Å; R116-F247 HydrophobicContact CB-CE1 3.8Å; R116-F247 HydrophobicContact CB-CE2 3.94Å; R116-F247 HydrophobicContact CB-CG 4.1Å; R116-F247 HydrophobicContact CB-CZ 3.78Å; E243-F247 WeakPolarHBondContact O-CB 3.35Å; E243-F247 PolarHBondContact O-N 3.21Å; C245-F247 VanDerWaalsContact C-N 3.34Å; C245-F247 PolarHBondContact O-N 3.4Å; F247-F250 PolarHBondContact O-N 2.93Å; F247-C251 WeakPolarHBondContact O-CB 3.12Å; F247-C251 PolarHBondContact O-N 3.42Å; F247-C251 PolarHBondContact O-SG 3.28Å; F247-A258 HydrophobicContact CE1-CB 3.72Å; F247-A258 HydrophobicContact CZ-CB 4.01Å; F247-V260 HydrophobicContact CD1-CG2 3.53Å; F247-V260 HydrophobicContact CE1-CG2 3.89Å; F247-V260 HydrophobicContact CG-CG2 4.48Å
248A98.7Very high97.3Very high1 Ų121.1 Ų21.11%0.00811%0.11CC..Hα-helixtrans-62-48.6-179.100000111.5A174 L176 C244 F250 C251 K252A174-A248 HydrophobicContact CB-CB 4.43Å; A174-A248 VanDerWaalsContact O-CB 3.25Å; A174-A248 WeakPolarHBondContact O-CB 3.39Å; L176-A248 HydrophobicContact CD2-CB 3.59Å; L176-A248 HydrophobicContact CG-CB 3.85Å; C244-A248 WeakPolarHBondContact O-CB 3.41Å; C244-A248 PolarHBondContact O-N 3.42Å; A248-F250 PolarHBondContact O-N 3.01Å; A248-C251 PolarHBondContact O-N 3.13Å; A248-K252 VanDerWaalsContact O-CB 3.32Å; A248-K252 WeakPolarHBondContact O-CB 3.41Å; A248-K252 PolarHBondContact O-N 3.07Å
249S97.6Very high97.4Very high1 Ų119 Ų191%0.00710%0.102CC..Hα-helixtrans-65.7-39.3-179.563.20000113.2F161 D173 C245 C246 R253F161-S249 VanDerWaalsContact CB-OG 3.22Å; F161-S249 WeakPolarHBondContact CB-OG 3.31Å; F161-S249 WeakPolarHBondContact CD1-OG 3.24Å; F161-S249 WeakPolarHBondContact CG-OG 3.32Å; D173-S249 WeakPolarHBondContact O-CA 3.26Å; D173-S249 VanDerWaalsContact O-CB 3.25Å; D173-S249 WeakPolarHBondContact O-CB 3.15Å; C245-S249 WeakPolarHBondContact O-CB 3.48Å; C245-S249 PolarHBondContact O-N 3.03Å; C245-S249 PolarHBondContact O-OG 3.31Å; C246-S249 PolarHBondContact O-OG 3.11Å; S249-R253 WeakPolarHBondContact O-CB 3.34Å; S249-R253 WeakPolarHBondContact O-CD 3Å; S249-R253 WeakPolarHBondContact O-CG 3.33Å; S249-R253 PolarHBondContact O-N 2.75Å
250F97.5Very high97.4Very high1 Ų119 Ų190%0.00410%0.102CC..Hα-helixtrans-61.1-52.4174.4-178.6-79.2000111.1L94 L97 H98 T101 C246 F247 A248 K252 R253 A254 L527L94-F250 HydrophobicContact CD2-CD2 4.23Å; L97-F250 VanDerWaalsContact C-CZ 3.48Å; L97-F250 HydrophobicContact CB-CD1 3.85Å; L97-F250 HydrophobicContact CB-CD2 3.95Å; L97-F250 HydrophobicContact CB-CE1 3.79Å; L97-F250 HydrophobicContact CB-CE2 3.86Å; L97-F250 HydrophobicContact CB-CG 3.95Å; L97-F250 HydrophobicContact CB-CZ 3.8Å; L97-F250 HydrophobicContact CD1-CB 3.89Å; L97-F250 HydrophobicContact CD1-CD1 4.17Å; L97-F250 HydrophobicContact CD1-CD2 4.39Å; L97-F250 HydrophobicContact CD1-CG 3.9Å; L97-F250 HydrophobicContact CD2-CD1 4.11Å; L97-F250 HydrophobicContact CD2-CE1 4.42Å; L97-F250 HydrophobicContact CG-CD1 4.27Å; L97-F250 HydrophobicContact CG-CG 4.39Å; L97-F250 WeakPolarHBondContact O-CZ 3.3Å; H98-F250 AromaticContact CD2-CE2 3.97Å; H98-F250 AromaticContact CE1-CE2 3.68Å; H98-F250 AromaticContact CG-CE2 3.79Å; H98-F250 AromaticContact ND1-CE2 3.57Å; H98-F250 AromaticContact NE2-CE2 3.91Å; T101-F250 WeakPolarHBondContact OG1-CE1 3.33Å; C246-F250 WeakPolarHBondContact O-CB 3.43Å; C246-F250 PolarHBondContact O-N 2.94Å; F247-F250 PolarHBondContact O-N 2.93Å; A248-F250 PolarHBondContact O-N 3.01Å; F250-K252 VanDerWaalsContact C-N 3.34Å; F250-K252 PolarHBondContact O-N 3.13Å; F250-R253 PolarHBondContact O-N 2.98Å; F250-A254 HydrophobicContact CD1-CB 4.44Å; F250-A254 HydrophobicContact CE1-CB 4.21Å; F250-A254 VanDerWaalsContact O-CB 3.31Å; F250-A254 WeakPolarHBondContact O-CB 3.18Å; F250-A254 PolarHBondContact O-N 3.24Å; F250-L527 HydrophobicContact CD2-CD1 3.54Å; F250-L527 HydrophobicContact CE2-CD1 3.53Å; F250-L527 HydrophobicContact CE2-CG 4.3Å; F250-L527 HydrophobicContact CG-CD1 4.31Å; F250-L527 HydrophobicContact CZ-CD1 4.28Å
251C98Very high97.4Very high1 Ų119 Ų191%0.00710%0.102CC..Hα-helixtrans-61.1-44.8-177.6-66.10000110.9F247 A248 R253 A254 G255 I256 A258F247-C251 WeakPolarHBondContact O-CB 3.12Å; F247-C251 PolarHBondContact O-N 3.42Å; F247-C251 PolarHBondContact O-SG 3.28Å; A248-C251 PolarHBondContact O-N 3.13Å; C251-R253 PolarHBondContact O-N 3Å; C251-A254 CarbonylContact O-C 3.59Å; C251-A254 PolarHBondContact O-N 2.71Å; C251-G255 PolarHBondContact O-N 2.88Å; C251-I256 CarbonylContact C-O 3.53Å; C251-I256 HydrophobicContact CB-CB 4.2Å; C251-I256 HydrophobicContact CB-CG2 4.43Å; C251-I256 WeakPolarHBondContact CB-O 2.98Å; C251-I256 PolarHBondContact O-N 2.73Å; C251-A258 HydrophobicContact CB-CB 3.51Å; C251-A258 VanDerWaalsContact SG-CB 3.6Å
252K96.7Very high97.4Very high103 Ų10318.3 Ų18.345%0.44810%0.099SC..Hα-helixtrans-58.5-47176.1-175163.6-171166.10112.3D173 S175 A248 F250 A254 G255D173-K252 HydrophobicContact CB-CD 4.26Å; D173-K252 IonicContact OD1-NZ 2.69Å; D173-K252 WeakPolarHBondContact OD2-CE 3.36Å; D173-K252 IonicContact OD2-NZ 3.81Å; D173-K252 PolarHBondContact OD2-NZ 2.97Å; S175-K252 PolarHBondContact OG-NZ 2.86Å; A248-K252 VanDerWaalsContact O-CB 3.32Å; A248-K252 WeakPolarHBondContact O-CB 3.41Å; A248-K252 PolarHBondContact O-N 3.07Å; F250-K252 VanDerWaalsContact C-N 3.34Å; F250-K252 PolarHBondContact O-N 3.13Å; K252-A254 VanDerWaalsContact C-N 3.32Å; K252-A254 PolarHBondContact O-N 3.07Å; K252-G255 PolarHBondContact O-N 3.35Å
253R95.3Very high97.2Very high71 Ų7117.8 Ų17.827%0.26810%0.096SC..Hα-helixtrans-65.6-33.2176.9-70.9166.666.4-156.6-3113Y172 S249 F250 C251 G255 E518 L527Y172-R253 HydrophobicContact CD1-CG 4.3Å; Y172-R253 VanDerWaalsContact CE2-NH1 3.29Å; Y172-R253 VanDerWaalsContact CZ-CZ 3.43Å; S249-R253 WeakPolarHBondContact O-CB 3.34Å; S249-R253 WeakPolarHBondContact O-CD 3Å; S249-R253 WeakPolarHBondContact O-CG 3.33Å; S249-R253 PolarHBondContact O-N 2.75Å; F250-R253 PolarHBondContact O-N 2.98Å; C251-R253 PolarHBondContact O-N 3Å; R253-G255 VanDerWaalsContact C-N 3.27Å; R253-E518 IonicContact CZ-OE1 2.81Å; R253-E518 VanDerWaalsContact CZ-OE1 3.24Å; R253-E518 IonicContact CZ-OE2 2.62Å; R253-E518 IonicContact NH1-OE1 3.29Å; R253-E518 PolarHBondContact NH1-OE1 3.17Å; R253-E518 IonicContact NH1-OE2 3Å; R253-E518 VanDerWaalsContact NH2-CD 3.32Å; R253-E518 IonicContact NH2-OE1 3.62Å; R253-E518 PolarHBondContact NH2-OE1 3.37Å; R253-E518 IonicContact NH2-OE2 3.64Å; R253-E518 PolarHBondContact NH2-OE2 3.19Å; R253-E518 VanDerWaalsContact NH2-OE2 3.11Å; R253-L527 HydrophobicContact CB-CD2 3.83Å
254A94.2Very high97Very high14 Ų1417.6 Ų17.612%0.11610%0.095CC..Hα-helixtrans-79.7-7.4178.100000113.3F250 C251 K252 I256 L527F250-A254 HydrophobicContact CD1-CB 4.44Å; F250-A254 HydrophobicContact CE1-CB 4.21Å; F250-A254 VanDerWaalsContact O-CB 3.31Å; F250-A254 WeakPolarHBondContact O-CB 3.18Å; F250-A254 PolarHBondContact O-N 3.24Å; C251-A254 CarbonylContact O-C 3.59Å; C251-A254 PolarHBondContact O-N 2.71Å; K252-A254 VanDerWaalsContact C-N 3.32Å; K252-A254 PolarHBondContact O-N 3.07Å; A254-I256 VanDerWaalsContact C-N 3.33Å; A254-I256 HydrophobicContact CB-CD1 3.76Å; A254-I256 HydrophobicContact CB-CG1 3.93Å; A254-L527 HydrophobicContact CB-CD2 4.32Å
255G94.9Very high96.7Very high67 Ų6718.8 Ų18.869%0.69110%0.101SC*.THydrogen-bonded Turntrans71.527.4-174.100000113.2C251 K252 R253C251-G255 PolarHBondContact O-N 2.88Å; K252-G255 PolarHBondContact O-N 3.35Å; R253-G255 VanDerWaalsContact C-N 3.27Å
256I97Very high96.4Very high10 Ų1019.6 Ų19.65%0.05111%0.106CC..  trans-102.4122.2-179-63173.1000108.1M1 T101 F114 C251 A254 A258M1-I256 HydrophobicContact CE-CG1 4.41Å; T101-I256 HydrophobicContact CG2-CD1 4.13Å; F114-I256 HydrophobicContact CB-CG2 3.95Å; F114-I256 HydrophobicContact CD1-CG2 3.54Å; F114-I256 HydrophobicContact CD2-CG2 4.22Å; F114-I256 HydrophobicContact CE1-CD1 4.22Å; F114-I256 HydrophobicContact CE1-CG2 4.07Å; F114-I256 HydrophobicContact CE2-CD1 4.19Å; F114-I256 HydrophobicContact CG-CG2 3.64Å; F114-I256 HydrophobicContact CZ-CD1 3.98Å; C251-I256 CarbonylContact C-O 3.53Å; C251-I256 HydrophobicContact CB-CB 4.2Å; C251-I256 HydrophobicContact CB-CG2 4.43Å; C251-I256 WeakPolarHBondContact CB-O 2.98Å; C251-I256 PolarHBondContact O-N 2.73Å; A254-I256 VanDerWaalsContact C-N 3.33Å; A254-I256 HydrophobicContact CB-CD1 3.76Å; A254-I256 HydrophobicContact CB-CG1 3.93Å; I256-A258 PolarHBondContact O-N 2.8Å
257R98Very high96.1Very high93 Ų9320.4 Ų20.435%0.35111%0.11SC..  trans-68.5128.6171.4-62.3178.167.1-151.9-2.6108.5L113 F114 D177 E183L113-R257 HydrophobicContact CD2-CB 3.54Å; L113-R257 HydrophobicContact CD2-CG 4.42Å; F114-R257 PolarHBondContact N-O 3.45Å; F114-R257 VanDerWaalsContact N-O 3.12Å; D177-R257 IonicContact OD1-NH2 2.58Å; D177-R257 WeakPolarHBondContact OD2-CD 3.47Å; D177-R257 VanDerWaalsContact OD2-CG 3.26Å; D177-R257 WeakPolarHBondContact OD2-CG 3.45Å; D177-R257 IonicContact OD2-CZ 2.74Å; D177-R257 IonicContact OD2-NE 3.92Å; D177-R257 PolarHBondContact OD2-NE 2.73Å; D177-R257 IonicContact OD2-NH2 3.86Å; E183-R257 IonicContact OE1-NH2 3.9Å
258A98.3Very high95.8Very high3 Ų320.8 Ų20.83%0.02511%0.112CC..EExtended strand (participates in β ladder)trans-146.9154.9-173.400000113.2F114 L176 F247 C251 I256F114-A258 HydrophobicContact CB-CB 3.89Å; F114-A258 CarbonylContact O-C 3.44Å; F114-A258 WeakPolarHBondContact O-CA 3.47Å; F114-A258 WeakPolarHBondContact O-CB 3.45Å; L176-A258 HydrophobicContact CD2-CB 4.5Å; L176-A258 WeakPolarHBondContact CD2-O 3.06Å; F247-A258 HydrophobicContact CE1-CB 3.72Å; F247-A258 HydrophobicContact CZ-CB 4.01Å; C251-A258 HydrophobicContact CB-CB 3.51Å; C251-A258 VanDerWaalsContact SG-CB 3.6Å; I256-A258 PolarHBondContact O-N 2.8Å
259A98.2Very high95.4Very high0 Ų022.2 Ų22.20%012%0.118CC..EExtended strand (participates in β ladder)trans-136.2151.4175.900000111.6F114 F115 R116 L180 L184F114-A259 PolarHBondContact O-N 2.92Å; F115-A259 WeakPolarHBondContact CA-O 3.34Å; F115-A259 HydrophobicContact CD1-CB 4.02Å; F115-A259 HydrophobicContact CE1-CB 4.15Å; R116-A259 PolarHBondContact N-O 2.76Å; L180-A259 HydrophobicContact CD2-CB 3.84Å; L180-A259 HydrophobicContact CG-CB 4.07Å; L184-A259 HydrophobicContact CD1-CB 3.36Å
260V98.5Very high95Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-115126.2172.9176.80000108R116 S149 L176 F247R116-V260 HydrophobicContact CB-CB 4.38Å; R116-V260 HydrophobicContact CB-CG1 4.34Å; R116-V260 HydrophobicContact CB-CG2 3.97Å; R116-V260 HydrophobicContact CG-CG1 4.46Å; S149-V260 PolarHBondContact N-O 2.92Å; S149-V260 WeakPolarHBondContact OG-CG1 3.48Å; S149-V260 PolarHBondContact OG-O 2.93Å; L176-V260 HydrophobicContact CD1-CB 3.98Å; L176-V260 HydrophobicContact CD1-CG2 3.8Å; L176-V260 HydrophobicContact CD2-CG2 4.22Å; F247-V260 HydrophobicContact CD1-CG2 3.53Å; F247-V260 HydrophobicContact CE1-CG2 3.89Å; F247-V260 HydrophobicContact CG-CG2 4.48Å
261V97.3Very high94.5Very high4 Ų431.4 Ų31.42%0.02417%0.17CC..EExtended strand (participates in β ladder)trans-130.5115.3-176.4-1740000108.8R116 I117 G118 V146 V147 L184 P288 I291R116-V261 PolarHBondContact O-N 3.34Å; I117-V261 WeakPolarHBondContact CA-O 3.39Å; G118-V261 PolarHBondContact N-O 3.23Å; G118-V261 VanDerWaalsContact N-O 3.08Å; V146-V261 HydrophobicContact CG1-CG1 3.73Å; V147-V261 WeakPolarHBondContact O-CA 3.27Å; L184-V261 HydrophobicContact CD1-CG2 3.87Å; V261-P288 HydrophobicContact CG1-CB 3.85Å; V261-I291 HydrophobicContact CG1-CD1 3.41Å; V261-I291 VanDerWaalsContact CG1-CD1 3.41Å; V261-I291 HydrophobicContact CG2-CD1 4.48Å
262C96.2Very high94.1Very high0 Ų032.8 Ų32.80%018%0.177CC..EExtended strand (participates in β ladder)trans-119.3157.3-177.7-55.60000111.1G118 S120 V146 V147 E241G118-C262 CarbonylContact O-C 3.6Å; G118-C262 VanDerWaalsContact O-CA 3.26Å; G118-C262 WeakPolarHBondContact O-CA 3.44Å; S120-C262 WeakPolarHBondContact OG-CB 3.35Å; V146-C262 CarbonylContact C-O 3.56Å; V146-C262 VanDerWaalsContact CA-O 3.25Å; V146-C262 WeakPolarHBondContact CA-O 3.43Å; V147-C262 PolarHBondContact N-O 3.44Å; V147-C262 PolarHBondContact O-N 3.22Å; E241-C262 VanDerWaalsContact CG-SG 3.51Å
263V94.2Very high93.7Very high0 Ų031.3 Ų31.30%017%0.172CC..EExtended strand (participates in β ladder)trans-113.3136.6162.962.50000109.7G118 T119 S120 T145 Y284 Q287 P288G118-V263 PolarHBondContact O-N 3.23Å; T119-V263 CarbonylContact C-O 3.6Å; T119-V263 WeakPolarHBondContact CA-O 3.4Å; T119-V263 HydrophobicContact CG2-CG1 3.8Å; S120-V263 PolarHBondContact N-O 3.45Å; S120-V263 PolarHBondContact OG-O 3Å; T145-V263 WeakPolarHBondContact O-CA 3.25Å; V263-Y284 WeakPolarHBondContact CG1-O 3.35Å; V263-Q287 HydrophobicContact CG2-CB 4.38Å; V263-P288 HydrophobicContact CB-CG 3.47Å; V263-P288 VanDerWaalsContact CB-CG 3.47Å; V263-P288 HydrophobicContact CG1-CG 3.66Å
264T93.5Very high93.2Very high0 Ų030.7 Ų30.70%017%0.174CC..EExtended strand (participates in β ladder)trans-78.8130.3177.950.30000111S120 G122 I141 G144 T145 V147 N239S120-T264 CarbonylContact O-C 3.47Å; S120-T264 VanDerWaalsContact O-CA 3.32Å; S120-T264 WeakPolarHBondContact O-CA 3.45Å; G122-T264 VanDerWaalsContact CA-CG2 3.47Å; I141-T264 HydrophobicContact CG2-CG2 3.57Å; I141-T264 WeakPolarHBondContact CG2-OG1 3.47Å; G144-T264 PolarHBondContact N-O 3.43Å; T145-T264 WeakPolarHBondContact CB-OG1 3.32Å; T145-T264 PolarHBondContact N-OG1 3.24Å; T145-T264 PolarHBondContact O-N 2.95Å; T145-T264 PolarHBondContact O-OG1 3Å; V147-T264 HydrophobicContact CG2-CG2 3.78Å; N239-T264 HydrophobicContact CB-CG2 4.42Å
265L91.6Very high92.5Very high25 Ų2535.9 Ų35.913%0.13120%0.2CC..EExtended strand (participates in β ladder)trans-93.2-27.7177.6-61.1-176.6000112.6T119 S120 P143 L274 Y281T119-L265 HydrophobicContact CG2-CD1 4.05Å; T119-L265 HydrophobicContact CG2-CD2 3.82Å; T119-L265 HydrophobicContact CG2-CG 4.08Å; S120-L265 PolarHBondContact O-N 2.7Å; P143-L265 WeakPolarHBondContact CB-O 3.37Å; L265-L274 HydrophobicContact CB-CD2 3.82Å; L265-L274 HydrophobicContact CD1-CD2 4.42Å; L265-Y281 HydrophobicContact CB-CD1 4.32Å; L265-Y281 HydrophobicContact CB-CE1 4.39Å; L265-Y281 HydrophobicContact CD2-CD1 4.05Å; L265-Y281 WeakPolarHBondContact O-CE1 3.29Å
266L91.2Very high91.9Very high17 Ų1737 Ų379%0.08919%0.187CC..EExtended strand (participates in β ladder)trans-151.7165.4-177.161.975.6000110.5G122 R268 G271 D272 L274G122-L266 PolarHBondContact N-O 2.91Å; L266-R268 HydrophobicContact CD1-CB 4.27Å; L266-R268 HydrophobicContact CD1-CG 3.44Å; L266-R268 VanDerWaalsContact CD1-CG 3.44Å; L266-G271 WeakPolarHBondContact CD1-O 3.38Å; L266-D272 WeakPolarHBondContact CD2-O 3.27Å; L266-L274 HydrophobicContact CB-CD2 4.47Å; L266-L274 HydrophobicContact CD2-CD2 3.85Å; L266-L274 HydrophobicContact CD2-CG 4.45Å; L266-L274 HydrophobicContact CG-CD2 4.45Å
267N91.5Very high91.1Very high18 Ų1840.3 Ų40.310%0.09621%0.209CC..EExtended strand (participates in β ladder)trans-99.6111.5167.6176.824000109.6G140 I141 F269 E270 G271G140-N267 VanDerWaalsContact CA-ND2 3.32Å; G140-N267 WeakPolarHBondContact CA-ND2 3.25Å; I141-N267 WeakPolarHBondContact O-CB 3.06Å; N267-F269 PolarHBondContact O-N 3.47Å; N267-F269 VanDerWaalsContact O-N 3.11Å; N267-F269 PolarHBondContact OD1-N 3.5Å; N267-E270 HydrophobicContact CB-CG 4.21Å; N267-E270 WeakPolarHBondContact ND2-CG 3.29Å; N267-E270 PolarHBondContact ND2-OE1 3.08Å; N267-E270 PolarHBondContact O-N 2.9Å; N267-G271 PolarHBondContact O-N 2.86Å
268R92.7Very high90.2Very high7 Ų742.8 Ų42.83%0.02622%0.222CC..THydrogen-bonded Turntrans-66.3-14.6-176.1-61.4-170.268.4-145.5-12.2114.4G122 I123 Q210 L229 L266 E270 G271 D272G122-R268 PolarHBondContact O-N 3.46Å; I123-R268 HydrophobicContact CG2-CB 3.78Å; I123-R268 HydrophobicContact CG2-CG 4.39Å; Q210-R268 PolarHBondContact O-NH1 2.94Å; Q210-R268 PolarHBondContact O-NH2 3.36Å; L229-R268 HydrophobicContact CD1-CB 3.97Å; L266-R268 HydrophobicContact CD1-CB 4.27Å; L266-R268 HydrophobicContact CD1-CG 3.44Å; L266-R268 VanDerWaalsContact CD1-CG 3.44Å; R268-E270 VanDerWaalsContact C-N 3.34Å; R268-G271 WeakPolarHBondContact CA-O 3.01Å; R268-D272 IonicContact CZ-OD1 2.95Å; R268-D272 IonicContact CZ-OD2 3.47Å; R268-D272 IonicContact NE-OD1 3.31Å; R268-D272 PolarHBondContact NE-OD1 3.09Å; R268-D272 IonicContact NE-OD2 2.64Å; R268-D272 IonicContact NH2-OD1 3.78Å; R268-D272 PolarHBondContact NH2-OD1 2.92Å; R268-D272 IonicContact NH2-OD2 3.81Å; R268-D272 PolarHBondContact NH2-OD2 3.21Å; R268-D272 VanDerWaalsContact NH2-OD2 3.09Å
269F90.8Very high89.5Confident32 Ų3246.2 Ų46.214%0.1425%0.246CC..THydrogen-bonded Turntrans-71.6-27.7170.4-73.2-65.7000113.1I123 V138 L229 R230 N267I123-F269 HydrophobicContact CB-CD2 4.33Å; I123-F269 HydrophobicContact CB-CE2 3.83Å; I123-F269 HydrophobicContact CB-CZ 4.49Å; I123-F269 HydrophobicContact CG2-CD2 4.45Å; I123-F269 HydrophobicContact CG2-CE2 4.21Å; V138-F269 HydrophobicContact CG1-CD2 4.13Å; V138-F269 HydrophobicContact CG1-CE2 3.71Å; V138-F269 HydrophobicContact CG1-CZ 4.22Å; L229-F269 HydrophobicContact CB-CD1 4.4Å; L229-F269 HydrophobicContact CB-CE1 3.71Å; L229-F269 HydrophobicContact CB-CZ 4.06Å; R230-F269 HydrophobicContact CG-CE1 3.89Å; R230-F269 HydrophobicContact CG-CZ 4.35Å; N267-F269 PolarHBondContact O-N 3.47Å; N267-F269 VanDerWaalsContact O-N 3.11Å; N267-F269 PolarHBondContact OD1-N 3.5Å
270E88.7Confident88.7Confident160 Ų16047.9 Ų47.975%0.74826%0.256SS*.THydrogen-bonded Turntrans-89-29.5177.1-54.1-45.8135.400112.4N267 R268N267-E270 HydrophobicContact CB-CG 4.21Å; N267-E270 WeakPolarHBondContact ND2-CG 3.29Å; N267-E270 PolarHBondContact ND2-OE1 3.08Å; N267-E270 PolarHBondContact O-N 2.9Å; R268-E270 VanDerWaalsContact C-N 3.34Å
271G88.4Confident88Confident35 Ų3548.7 Ų48.736%0.36126%0.259SS..  trans167.8167.1-179.300000112.2L266 N267 R268L266-G271 WeakPolarHBondContact CD1-O 3.38Å; N267-G271 PolarHBondContact O-N 2.86Å; R268-G271 WeakPolarHBondContact CA-O 3.01Å
272D90.1Very high87.4Confident29 Ų2953.1 Ų53.116%0.15528%0.28CS..SBendtrans-106.6-7.2-175.6-101.4-37.4000112.4R212 L266 R268R212-D272 VanDerWaalsContact CZ-CB 3.47Å; R212-D272 IonicContact CZ-OD1 3.68Å; R212-D272 VanDerWaalsContact NH1-CB 3.29Å; R212-D272 VanDerWaalsContact NH1-CG 3.28Å; R212-D272 PolarHBondContact NH1-O 3.43Å; R212-D272 IonicContact NH1-OD1 3.51Å; R212-D272 PolarHBondContact NH1-OD1 2.7Å; R212-D272 PolarHBondContact NH2-O 2.66Å; L266-D272 WeakPolarHBondContact CD2-O 3.27Å; R268-D272 IonicContact CZ-OD1 2.95Å; R268-D272 IonicContact CZ-OD2 3.47Å; R268-D272 IonicContact NE-OD1 3.31Å; R268-D272 PolarHBondContact NE-OD1 3.09Å; R268-D272 IonicContact NE-OD2 2.64Å; R268-D272 IonicContact NH2-OD1 3.78Å; R268-D272 PolarHBondContact NH2-OD1 2.92Å; R268-D272 IonicContact NH2-OD2 3.81Å; R268-D272 PolarHBondContact NH2-OD2 3.21Å; R268-D272 VanDerWaalsContact NH2-OD2 3.09Å
273Q86.7Confident86.8Confident72 Ų7258.8 Ų58.834%0.33631%0.306SS..SBendtrans-97146.3-179-70.3-66.2-38.200111.6D214D214-Q273 PolarHBondContact OD2-NE2 2.74Å
274L84.7Confident86.4Confident59 Ų5960.9 Ų60.931%0.30931%0.314SS..  trans-79.8131.3173.8-64.5174.3000109.2L265 L266 Y281L265-L274 HydrophobicContact CB-CD2 3.82Å; L265-L274 HydrophobicContact CD1-CD2 4.42Å; L266-L274 HydrophobicContact CB-CD2 4.47Å; L266-L274 HydrophobicContact CD2-CD2 3.85Å; L266-L274 HydrophobicContact CD2-CG 4.45Å; L266-L274 HydrophobicContact CG-CD2 4.45Å; L274-Y281 WeakPolarHBondContact CA-OH 3.34Å; L274-Y281 HydrophobicContact CB-CE2 3.75Å; L274-Y281 WeakPolarHBondContact CB-OH 3.31Å; L274-Y281 HydrophobicContact CD1-CE2 4.25Å; L274-Y281 HydrophobicContact CD2-CD1 4.42Å; L274-Y281 HydrophobicContact CD2-CE1 3.78Å; L274-Y281 HydrophobicContact CD2-CE2 4.07Å; L274-Y281 HydrophobicContact CG-CE2 4.24Å
275D80.7Confident85.9Confident123 Ų12362.9 Ų62.966%0.65832%0.324SS*.  trans-125-1.7-173.368-8.4000114.1Y281D275-Y281 PolarHBondContact N-OH 2.73Å
276Q82.6Confident85.6Confident91 Ų9163.4 Ų63.443%0.42533%0.326SS..SBendtrans-98.7158.4178.6-55.2-57.3-56.100112V280 Y281Q276-V280 HydrophobicContact CB-CB 4.2Å; Q276-V280 HydrophobicContact CB-CG1 4.34Å; Q276-V280 HydrophobicContact CB-CG2 4.49Å; Q276-Y281 HydrophobicContact CB-CE1 4.07Å; Q276-Y281 HydrophobicContact CB-CE2 3.86Å; Q276-Y281 WeakPolarHBondContact CB-OH 3.29Å; Q276-Y281 HydrophobicContact CG-CE1 4.31Å; Q276-Y281 PolarHBondContact N-OH 2.83Å; Q276-Y281 WeakPolarHBondContact O-CE2 3.31Å
277P80Confident85.2Confident79 Ų7963.9 Ų63.951%0.51333%0.328SS..  trans-58.1144.2171-23.633.9000112.6S279 V280P277-S279 PolarHBondContact O-N 2.77Å; P277-V280 WeakPolarHBondContact O-CB 3.47Å; P277-V280 PolarHBondContact O-N 3.39Å
278K79.2Confident84.6Confident144 Ų14463.2 Ų63.263%0.62632%0.324SS*.Hα-helixtrans-51.3-33.6-179.8-171.7172.8-175.7168.80114.1V280 Y281 Q282K278-V280 VanDerWaalsContact C-N 3.31Å; K278-V280 PolarHBondContact O-N 3.21Å; K278-Y281 PolarHBondContact O-N 3.32Å; K278-Q282 HydrophobicContact CG-CG 4.42Å; K278-Q282 VanDerWaalsContact O-CG 3.32Å; K278-Q282 WeakPolarHBondContact O-CG 3.4Å; K278-Q282 PolarHBondContact O-N 2.79Å
279S82.7Confident83.9Confident75 Ų7563.2 Ų63.252%0.52433%0.325SS..Hα-helixtrans-61-36.3177.551.20000113.2P277 Q282 E283P277-S279 PolarHBondContact O-N 2.77Å; S279-Q282 PolarHBondContact O-N 2.98Å; S279-E283 PolarHBondContact O-N 3.42Å; S279-E283 VanDerWaalsContact O-N 3.11Å
280V82.7Confident83Confident35 Ų3566.5 Ų66.521%0.21234%0.339CS..Hα-helixtrans-65.4-45.7177.2179.30000110.1Q276 P277 K278 Q282 E283 Y284Q276-V280 HydrophobicContact CB-CB 4.2Å; Q276-V280 HydrophobicContact CB-CG1 4.34Å; Q276-V280 HydrophobicContact CB-CG2 4.49Å; P277-V280 WeakPolarHBondContact O-CB 3.47Å; P277-V280 PolarHBondContact O-N 3.39Å; K278-V280 VanDerWaalsContact C-N 3.31Å; K278-V280 PolarHBondContact O-N 3.21Å; V280-Q282 PolarHBondContact O-N 3.44Å; V280-E283 WeakPolarHBondContact O-CB 3.15Å; V280-E283 PolarHBondContact O-N 2.59Å; V280-Y284 HydrophobicContact CG1-CD2 4.34Å; V280-Y284 HydrophobicContact CG1-CE1 4.02Å; V280-Y284 HydrophobicContact CG1-CE2 3.65Å; V280-Y284 VanDerWaalsContact CG1-CZ 3.48Å; V280-Y284 PolarHBondContact O-N 2.93Å
281Y83.6Confident81.7Confident17 Ų1760.1 Ų60.17%0.06731%0.31CS..Hα-helixtrans-67.3-36.5177.9-60.4-51.2000112.9L265 L274 D275 Q276 K278 E283 Y284 E285L265-Y281 HydrophobicContact CB-CD1 4.32Å; L265-Y281 HydrophobicContact CB-CE1 4.39Å; L265-Y281 HydrophobicContact CD2-CD1 4.05Å; L265-Y281 WeakPolarHBondContact O-CE1 3.29Å; L274-Y281 WeakPolarHBondContact CA-OH 3.34Å; L274-Y281 HydrophobicContact CB-CE2 3.75Å; L274-Y281 WeakPolarHBondContact CB-OH 3.31Å; L274-Y281 HydrophobicContact CD1-CE2 4.25Å; L274-Y281 HydrophobicContact CD2-CD1 4.42Å; L274-Y281 HydrophobicContact CD2-CE1 3.78Å; L274-Y281 HydrophobicContact CD2-CE2 4.07Å; L274-Y281 HydrophobicContact CG-CE2 4.24Å; D275-Y281 PolarHBondContact N-OH 2.73Å; Q276-Y281 HydrophobicContact CB-CE1 4.07Å; Q276-Y281 HydrophobicContact CB-CE2 3.86Å; Q276-Y281 WeakPolarHBondContact CB-OH 3.29Å; Q276-Y281 HydrophobicContact CG-CE1 4.31Å; Q276-Y281 PolarHBondContact N-OH 2.83Å; Q276-Y281 WeakPolarHBondContact O-CE2 3.31Å; K278-Y281 PolarHBondContact O-N 3.32Å; Y281-E283 VanDerWaalsContact C-N 3.28Å; Y281-E283 PolarHBondContact O-N 2.89Å; Y281-Y284 HydrophobicContact CD1-CD2 4.05Å; Y281-Y284 HydrophobicContact CD1-CE2 4.42Å; Y281-Y284 PolarHBondContact O-N 2.91Å; Y281-E285 WeakPolarHBondContact O-CB 3.34Å; Y281-E285 WeakPolarHBondContact O-CG 3.46Å; Y281-E285 PolarHBondContact O-N 3.31Å
282Q83.1Confident80.1Confident98 Ų9861.2 Ų61.246%0.45831%0.305SS..Hα-helixtrans-61.7-36173.2-74.2173.5-20.900112.3K278 S279 V280K278-Q282 HydrophobicContact CG-CG 4.42Å; K278-Q282 VanDerWaalsContact O-CG 3.32Å; K278-Q282 WeakPolarHBondContact O-CG 3.4Å; K278-Q282 PolarHBondContact O-N 2.79Å; S279-Q282 PolarHBondContact O-N 2.98Å; V280-Q282 PolarHBondContact O-N 3.44Å
283E83.8Confident78.2Confident118 Ų11864.6 Ų64.655%0.55132%0.316SS*.Hα-helixtrans-66.6-45.4172.8-173.5-177.7174.400111.4S279 V280 Y281 M286S279-E283 PolarHBondContact O-N 3.42Å; S279-E283 VanDerWaalsContact O-N 3.11Å; V280-E283 WeakPolarHBondContact O-CB 3.15Å; V280-E283 PolarHBondContact O-N 2.59Å; Y281-E283 VanDerWaalsContact C-N 3.28Å; Y281-E283 PolarHBondContact O-N 2.89Å; E283-M286 PolarHBondContact O-N 3.39Å
284Y86.5Confident75.4Confident45 Ų4569.7 Ų69.718%0.17634%0.342CS..Hα-helixtrans-59.8-47.8177.6-66.1-11.8000111.7P143 V263 V280 Y281 M286 Q287P143-Y284 HydrophobicContact CB-CD2 4.27Å; P143-Y284 HydrophobicContact CB-CE2 3.5Å; P143-Y284 VanDerWaalsContact CB-CE2 3.5Å; V263-Y284 WeakPolarHBondContact CG1-O 3.35Å; V280-Y284 HydrophobicContact CG1-CD2 4.34Å; V280-Y284 HydrophobicContact CG1-CE1 4.02Å; V280-Y284 HydrophobicContact CG1-CE2 3.65Å; V280-Y284 VanDerWaalsContact CG1-CZ 3.48Å; V280-Y284 PolarHBondContact O-N 2.93Å; Y281-Y284 HydrophobicContact CD1-CD2 4.05Å; Y281-Y284 HydrophobicContact CD1-CE2 4.42Å; Y281-Y284 PolarHBondContact O-N 2.91Å; Y284-M286 PolarHBondContact O-N 3.23Å; Y284-Q287 VanDerWaalsContact O-CB 3.28Å; Y284-Q287 WeakPolarHBondContact O-CB 3.21Å; Y284-Q287 WeakPolarHBondContact O-CG 3.49Å; Y284-Q287 PolarHBondContact O-N 3.25Å
285E83.1Confident72.7Confident42 Ų4269.4 Ų69.420%0.19635%0.348CS..Hα-helixtrans-49.9-32.2-179.1-86.1179.7-162.900114.3R45 T119 Y281 P288R45-E285 IonicContact NH2-OE2 2.8Å; R45-E285 PolarHBondContact NH2-OE2 2.69Å; T119-E285 HydrophobicContact CG2-CB 4.47Å; T119-E285 HydrophobicContact CG2-CG 3.56Å; Y281-E285 WeakPolarHBondContact O-CB 3.34Å; Y281-E285 WeakPolarHBondContact O-CG 3.46Å; Y281-E285 PolarHBondContact O-N 3.31Å; E285-P288 WeakPolarHBondContact O-CD 3.36Å
286M83.9Confident70Confident36 Ų3670.8 Ų70.818%0.17736%0.355CS..Hα-helixtrans-84.2-16.3-179.5-63.3-54.6-64.300112.8R45 I46 E283 Y284 S289 K290R45-M286 HydrophobicContact CB-CE 4.27Å; R45-M286 HydrophobicContact CB-SD 4.32Å; I46-M286 HydrophobicContact CG1-CE 4.32Å; E283-M286 PolarHBondContact O-N 3.39Å; Y284-M286 PolarHBondContact O-N 3.23Å; M286-S289 WeakPolarHBondContact O-CA 3.13Å; M286-S289 WeakPolarHBondContact O-CB 3.34Å; M286-S289 PolarHBondContact O-N 2.85Å; M286-S289 VanDerWaalsContact O-N 3.1Å; M286-S289 PolarHBondContact O-OG 3.11Å; M286-K290 WeakPolarHBondContact O-CG 3.47Å; M286-K290 PolarHBondContact O-N 3.18Å; M286-K290 VanDerWaalsContact O-N 3.09Å
287Q83.3Confident67.4Low27 Ų2770.4 Ų70.413%0.12638%0.375CS..THydrogen-bonded Turntrans-59.2-44.2-176.8-65.7-165.535.100115.1G144 V146 V263 Y284 S289 K290G144-Q287 VanDerWaalsContact O-CD 3.31Å; G144-Q287 PolarHBondContact O-NE2 3.16Å; G144-Q287 PolarHBondContact O-OE1 3.4Å; V146-Q287 HydrophobicContact CG2-CB 3.98Å; V263-Q287 HydrophobicContact CG2-CB 4.38Å; Y284-Q287 VanDerWaalsContact O-CB 3.28Å; Y284-Q287 WeakPolarHBondContact O-CB 3.21Å; Y284-Q287 WeakPolarHBondContact O-CG 3.49Å; Y284-Q287 PolarHBondContact O-N 3.25Å; Q287-S289 PolarHBondContact O-N 3.32Å; Q287-K290 WeakPolarHBondContact O-CA 3.4Å; Q287-K290 WeakPolarHBondContact O-CB 3.34Å; Q287-K290 PolarHBondContact O-N 2.77Å
288P78.9Confident64.8Low4 Ų471.3 Ų71.33%0.02639%0.389CS..THydrogen-bonded Turntrans-58.8-35.6175.8-30.442000111.8I117 V261 V263 E285 K290 I291I117-P288 HydrophobicContact CG2-CB 3.49Å; I117-P288 VanDerWaalsContact CG2-CB 3.49Å; I117-P288 HydrophobicContact CG2-CG 4.49Å; V261-P288 HydrophobicContact CG1-CB 3.85Å; V263-P288 HydrophobicContact CB-CG 3.47Å; V263-P288 VanDerWaalsContact CB-CG 3.47Å; V263-P288 HydrophobicContact CG1-CG 3.66Å; E285-P288 WeakPolarHBondContact O-CD 3.36Å; P288-K290 VanDerWaalsContact C-N 3.3Å; P288-K290 PolarHBondContact O-N 2.88Å; P288-I291 WeakPolarHBondContact O-CG1 3.38Å
289S78.6Confident62.5Low6 Ų674.6 Ų74.64%0.04240%0.404CS..THydrogen-bonded Turntrans-69.4-30.4175.488.20000110.8M286 Q287 I291 K292M286-S289 WeakPolarHBondContact O-CA 3.13Å; M286-S289 WeakPolarHBondContact O-CB 3.34Å; M286-S289 PolarHBondContact O-N 2.85Å; M286-S289 VanDerWaalsContact O-N 3.1Å; M286-S289 PolarHBondContact O-OG 3.11Å; Q287-S289 PolarHBondContact O-N 3.32Å; S289-I291 PolarHBondContact O-N 3.1Å; S289-K292 VanDerWaalsContact CB-NZ 3.25Å; S289-K292 WeakPolarHBondContact O-CD 3.19Å; S289-K292 WeakPolarHBondContact O-CE 3.05Å; S289-K292 WeakPolarHBondContact O-CG 3.27Å; S289-K292 PolarHBondContact OG-NZ 2.71Å
290K71.4Confident59.8Low101 Ų10180.7 Ų80.744%0.43942%0.421SS..THydrogen-bonded Turntrans-65.3-5.1-177.8-69.1177.5-175.9173.60115.1L191 M286 Q287 P288 K292L191-K290 WeakPolarHBondContact CD1-O 3.49Å; M286-K290 WeakPolarHBondContact O-CG 3.47Å; M286-K290 PolarHBondContact O-N 3.18Å; M286-K290 VanDerWaalsContact O-N 3.09Å; Q287-K290 WeakPolarHBondContact O-CA 3.4Å; Q287-K290 WeakPolarHBondContact O-CB 3.34Å; Q287-K290 PolarHBondContact O-N 2.77Å; P288-K290 VanDerWaalsContact C-N 3.3Å; P288-K290 PolarHBondContact O-N 2.88Å; K290-K292 PolarHBondContact O-N 3.36Å
291I62.6Low57.2Low26 Ų2689.1 Ų89.113%0.13346%0.455CS..  trans-68.540.6175-49.1173.7000111.5V146 L184 V187 V261 P288 S289V146-I291 HydrophobicContact CG1-CD1 3.94Å; L184-I291 HydrophobicContact CD2-CG2 3.78Å; V187-I291 HydrophobicContact CB-CG2 3.68Å; V187-I291 HydrophobicContact CG1-CB 4.37Å; V187-I291 HydrophobicContact CG1-CG2 3.35Å; V261-I291 HydrophobicContact CG1-CD1 3.41Å; V261-I291 VanDerWaalsContact CG1-CD1 3.41Å; V261-I291 HydrophobicContact CG2-CD1 4.48Å; P288-I291 WeakPolarHBondContact O-CG1 3.38Å; S289-I291 PolarHBondContact O-N 3.1Å
292K54.9Low54.4Low59 Ų5997.3 Ų97.326%0.25749%0.493SS..  trans-105.7-10.9-153.2-100.2161.8-170.7169.50115.2E49 S289 K290E49-K292 HydrophobicContact CG-CD 4.29Å; S289-K292 VanDerWaalsContact CB-NZ 3.25Å; S289-K292 WeakPolarHBondContact O-CD 3.19Å; S289-K292 WeakPolarHBondContact O-CE 3.05Å; S289-K292 WeakPolarHBondContact O-CG 3.27Å; S289-K292 PolarHBondContact OG-NZ 2.71Å; K290-K292 PolarHBondContact O-N 3.36Å
293R48.4Very low51.8Low100 Ų100101 Ų10138%0.37752%0.515SS..  trans-134.8125-163.7-99.6178.3144.6-156.4-0.7116.2E53 L191 A295 N296E53-R293 IonicContact OE1-NE 3.89Å; E53-R293 WeakPolarHBondContact OE2-CD 3.21Å; E53-R293 IonicContact OE2-CZ 3.79Å; E53-R293 IonicContact OE2-NE 2.96Å; E53-R293 PolarHBondContact OE2-NE 2.68Å; L191-R293 HydrophobicContact CD2-CB 4.37Å; R293-A295 WeakPolarHBondContact CD-O 3.3Å; R293-A295 PolarHBondContact NE-O 3.5Å; R293-A295 PolarHBondContact NH1-O 3.05Å; R293-N296 PolarHBondContact NH1-O 3.14Å
294M29.4Very low48.9Very low179 Ų179104.4 Ų104.488%0.88253%0.531SS*.SBend-64.2134.2119.9-70.6-176.882.700108.1
295A27.3Very low46Very low53 Ų53114 Ų11444%0.43857%0.566SS.*SBendtrans89.2104.4173.300000118.6R293R293-A295 WeakPolarHBondContact CD-O 3.3Å; R293-A295 PolarHBondContact NE-O 3.5Å; R293-A295 PolarHBondContact NH1-O 3.05Å
296N24.8Very low43.4Very low152 Ų152119.1 Ų119.181%0.81360%0.6SS**  trans60126.2141.5-66.3-13.5000123.5R293R293-N296 PolarHBondContact NH1-O 3.14Å
297G26.7Very low40.6Very low82 Ų82121.7 Ų121.785%0.84562%0.622SS**  120.7102.212500000117.3
298A26.7Very low37.9Very low98 Ų98127.2 Ų127.281%0.8165%0.652SS**  trans-77.9160.4179.200000115.3
299K29.7Very low35.4Very low213 Ų213134.4 Ų134.493%0.92669%0.691SS**  -172.3138.9129.5-101.6170.2-171.8-1760113.2
300K26.7Very low32.8Very low203 Ų203140.3 Ų140.388%0.88373%0.726SS**  trans-82.2156.6176.5-90.6176.6166.3-176.70112.2
301K28.2Very low30.5Very low213 Ų213143.8 Ų143.893%0.92675%0.747SS**  trans-150141.5145.7-101.5-176.6-179.3-175.50112
302E24.3Very low28.7Very low188 Ų188148.6 Ų148.688%0.87977%0.773SS**  trans-86.5150.4-179.2-64.9165.7142.600111.9
303I28.2Very low27.5Very low176 Ų176150.2 Ų150.290%0.90380%0.798SS**  trans-141.3138158.1-60.9-175.4000110.6
304Q24Very low26.7Very low190 Ų190147.9 Ų147.989%0.88880%0.797SS**  trans-81.8164-172.4-90.6170.4-34.600115.7
305R25.5Very low27.1Very low246 Ų246146.8 Ų146.893%0.92880%0.795SS**  trans-73.9151.9178.8-65.4176.3174.3172.4-3.4114.1
306V27.3Very low27.7Very low149 Ų149147.9 Ų147.990%0.90379%0.79SS**  trans-133.8147.1160.5-1790000109.6
307S25.8Very low28.7Very low91 Ų91148.3 Ų148.364%0.63678%0.78SS**  trans-95.7158.8-166.149.80000116
308D26.6Very low29.8Very low142 Ų142148.6 Ų148.676%0.75976%0.759SS**  trans44.8116.2144.3-52.7-20.4000122.2
309D25.7Very low31.3Very low156 Ų156144.3 Ų144.383%0.83472%0.723SS**  151.9145.3110.6-88.1-31000115.9
310V24.5Very low32.7Very low129 Ų129136.1 Ų136.178%0.78269%0.692SS**  trans79.2118.9164.4-1610000120.3
311I23.1Very low35.1Very low174 Ų174128.1 Ų128.189%0.89266%0.657SS**  trans-88.4116166.1-63169.6000108.7
312D25.6Very low37.1Very low127 Ų127118 Ų11868%0.67961%0.613SS**  trans-156.6147.4158.2-161.31.8000110.6S314D312-S314 WeakPolarHBondContact O-CB 3.49Å; D312-S314 PolarHBondContact O-N 2.82Å; D312-S314 PolarHBondContact O-OG 3.35Å
313A29.5Very low39.1Very low93 Ų93109.2 Ų109.277%0.76957%0.573SS**SBendtrans1.733.7-179.800000122.3D315A313-D315 PolarHBondContact O-N 2.98Å
314S31.1Very low40.8Very low52 Ų52101 Ų10136%0.36453%0.531SS..  trans-97.332.3-170.252.70000115.6D312 F316 R317D312-S314 WeakPolarHBondContact O-CB 3.49Å; D312-S314 PolarHBondContact O-N 2.82Å; D312-S314 PolarHBondContact O-OG 3.35Å; S314-F316 PolarHBondContact O-N 2.82Å; S314-R317 VanDerWaalsContact O-CG 3.3Å; S314-R317 WeakPolarHBondContact O-CG 3.34Å; S314-R317 PolarHBondContact OG-NH2 2.82Å
315D37.2Very low42.5Very low155 Ų15597.2 Ų97.283%0.82951%0.509SS*.  trans-68.49.1178.1-96-9.2000115A313A313-D315 PolarHBondContact O-N 2.98Å
316F39.9Very low44.1Very low76 Ų7687.1 Ų87.133%0.33348%0.477SS..  trans-120.250.4178.7-64-85.9000112.2S314 E318 A326 K428 S432S314-F316 PolarHBondContact O-N 2.82Å; F316-E318 PolarHBondContact O-N 2.81Å; F316-A326 HydrophobicContact CB-CB 3.76Å; F316-A326 HydrophobicContact CG-CB 4.24Å; F316-K428 HydrophobicContact CE1-CB 4.4Å; F316-S432 VanDerWaalsContact CZ-CB 3.49Å
317R47Very low45.6Very low162 Ų16284.3 Ų84.361%0.61146%0.458SS*.SBendtrans-65.9-29.6-173-70.4-174.3-174.5-176.9-1.5115S314S314-R317 VanDerWaalsContact O-CG 3.3Å; S314-R317 WeakPolarHBondContact O-CG 3.34Å; S314-R317 PolarHBondContact OG-NH2 2.82Å
318E49Very low47.3Very low88 Ų8882 Ų8241%0.41144%0.438SS..  trans-168.8134.1167.1-157.7168.5162.700107.6F316 C320 R325F316-E318 PolarHBondContact O-N 2.81Å; E318-C320 PolarHBondContact O-N 2.87Å; E318-R325 HydrophobicContact CG-CG 4.22Å
319L57.9Low49.2Very low8 Ų878.5 Ų78.54%0.04243%0.429CS..BIsolated β-bridgetrans-72.886.8159.2-63.7176.7000106.5H321 L322 G323 I324 E425 K428 L429L319-H321 PolarHBondContact O-N 2.86Å; L319-L322 HydrophobicContact CB-CB 4.03Å; L319-L322 HydrophobicContact CD1-CD1 3.98Å; L319-L322 CarbonylContact O-C 3.55Å; L319-L322 PolarHBondContact O-N 3.44Å; L319-G323 PolarHBondContact O-N 3.18Å; L319-I324 WeakPolarHBondContact CB-O 3.21Å; L319-I324 HydrophobicContact CD1-CB 4.24Å; L319-I324 PolarHBondContact N-O 2.84Å; L319-E425 HydrophobicContact CB-CB 4.28Å; L319-E425 HydrophobicContact CB-CG 4.4Å; L319-E425 WeakPolarHBondContact CB-OE2 3.22Å; L319-E425 HydrophobicContact CD1-CB 4.39Å; L319-E425 HydrophobicContact CD2-CB 4.02Å; L319-E425 HydrophobicContact CD2-CG 4.26Å; L319-E425 HydrophobicContact CG-CB 4.46Å; L319-K428 HydrophobicContact CD2-CB 4.46Å; L319-L429 HydrophobicContact CD1-CB 3.72Å; L319-L429 HydrophobicContact CD1-CD1 4.19Å; L319-L429 HydrophobicContact CD1-CD2 3.89Å; L319-L429 HydrophobicContact CD1-CG 4.14Å
320C60.4Low51.1Low41 Ų4176.3 Ų76.328%0.27742%0.417SS..THydrogen-bonded Turntrans-47.6-36.5-164.7-63.20000113.9E318E318-C320 PolarHBondContact O-N 2.87Å
321H76.1Confident52.8Low35 Ų3570.6 Ų70.616%0.16238%0.382CS..THydrogen-bonded Turntrans-91.4-30.4-178.5-59.688.7000113.7F206 L319 N396 Y399 I421 E425F206-H321 AromaticContact CD1-CE1 3.64Å; F206-H321 AromaticContact CD2-CE1 3.82Å; F206-H321 AromaticContact CE1-CE1 3.56Å; F206-H321 AromaticContact CE2-CE1 3.74Å; F206-H321 AromaticContact CG-CE1 3.78Å; F206-H321 AromaticContact CZ-CE1 3.61Å; L319-H321 PolarHBondContact O-N 2.86Å; H321-N396 PolarHBondContact O-ND2 3.49Å; H321-N396 PolarHBondContact O-OD1 3.48Å; H321-Y399 HydrophobicContact CB-CD2 4.3Å; H321-Y399 HydrophobicContact CB-CE2 3.73Å; H321-Y399 WeakPolarHBondContact O-CD2 3.25Å; H321-I421 HydrophobicContact CB-CG2 3.37Å; H321-I421 VanDerWaalsContact CG-CG2 3.43Å; H321-E425 VanDerWaalsContact CB-OE1 3.29Å; H321-E425 WeakPolarHBondContact CB-OE1 3.37Å; H321-E425 IonicContact CE1-OE1 3.84Å; H321-E425 IonicContact CG-OE1 2.96Å; H321-E425 PolarHBondContact N-OE1 2.76Å; H321-E425 PolarHBondContact N-OE2 2.78Å; H321-E425 IonicContact ND1-OE1 2.78Å; H321-E425 PolarHBondContact ND1-OE1 2.92Å
322L71.4Confident54.7Low0 Ų066.8 Ų66.80%036%0.361CS..THydrogen-bonded Turntrans-79.7-19.7172.6-67-179.8000112.6L319 I324 S394 N396 Y399 V401 T422 E425 L426L319-L322 HydrophobicContact CB-CB 4.03Å; L319-L322 HydrophobicContact CD1-CD1 3.98Å; L319-L322 CarbonylContact O-C 3.55Å; L319-L322 PolarHBondContact O-N 3.44Å; L322-I324 HydrophobicContact CB-CB 4.42Å; L322-I324 HydrophobicContact CB-CD1 4.16Å; L322-I324 HydrophobicContact CB-CG1 4.09Å; L322-I324 PolarHBondContact O-N 3.4Å; L322-S394 WeakPolarHBondContact O-CB 3.2Å; L322-N396 PolarHBondContact O-ND2 3.3Å; L322-Y399 HydrophobicContact CD2-CD1 4.28Å; L322-Y399 HydrophobicContact CD2-CD2 4.46Å; L322-Y399 HydrophobicContact CD2-CG 3.92Å; L322-V401 HydrophobicContact CD2-CG2 4.2Å; L322-T422 HydrophobicContact CD2-CG2 4.46Å; L322-E425 HydrophobicContact CD1-CB 3.69Å; L322-E425 HydrophobicContact CG-CB 4.01Å; L322-E425 WeakPolarHBondContact CG-OE2 3.39Å; L322-E425 PolarHBondContact N-OE2 2.84Å; L322-L426 HydrophobicContact CD1-CB 4.32Å
323G65.5Low56.6Low3 Ų365.9 Ų65.93%0.03135%0.351CS..THydrogen-bonded Turntrans6422.4-175.600000112.7L319 N395 N396L319-G323 PolarHBondContact O-N 3.18Å; G323-N395 VanDerWaalsContact O-CB 3.24Å; G323-N395 WeakPolarHBondContact O-CB 3.45Å; G323-N395 PolarHBondContact O-N 3.4Å; G323-N395 PolarHBondContact O-ND2 3.3Å; G323-N396 PolarHBondContact N-ND2 2.99Å; G323-N396 VanDerWaalsContact N-ND2 3.13Å
324I63Low58Low3 Ų364 Ų642%0.01533%0.326CS..BIsolated β-bridgetrans-100.4124.8178.3-62.3176.6000106.8L319 L322 V331 L393 V401 L429L319-I324 WeakPolarHBondContact CB-O 3.21Å; L319-I324 HydrophobicContact CD1-CB 4.24Å; L319-I324 PolarHBondContact N-O 2.84Å; L322-I324 HydrophobicContact CB-CB 4.42Å; L322-I324 HydrophobicContact CB-CD1 4.16Å; L322-I324 HydrophobicContact CB-CG1 4.09Å; L322-I324 PolarHBondContact O-N 3.4Å; I324-V331 HydrophobicContact CG2-CG1 3.91Å; I324-V331 HydrophobicContact CG2-CG2 3.81Å; I324-L393 WeakPolarHBondContact CG1-O 3.48Å; I324-V401 HydrophobicContact CD1-CB 4.31Å; I324-V401 HydrophobicContact CD1-CG1 4.41Å; I324-V401 HydrophobicContact CD1-CG2 4.03Å; I324-L429 HydrophobicContact CD1-CD2 4.32Å; I324-L429 HydrophobicContact CG2-CD1 4.48Å; I324-L429 HydrophobicContact CG2-CD2 4.01Å
325R60.9Low59.3Low112 Ų11262.8 Ų62.842%0.42332%0.315SS..  trans-95.9134.5166.7-54.6171.852.2160.20.2108.7E318 D327 D328E318-R325 HydrophobicContact CG-CG 4.22Å; R325-D327 WeakPolarHBondContact CB-OD1 3.31Å; R325-D327 IonicContact CZ-OD1 3.51Å; R325-D327 IonicContact CZ-OD2 2.76Å; R325-D327 IonicContact NE-OD1 3.99Å; R325-D327 PolarHBondContact NE-OD1 3.02Å; R325-D327 IonicContact NE-OD2 3.49Å; R325-D327 IonicContact NH2-OD1 2.7Å; R325-D327 PolarHBondContact NH2-OD1 3.34Å; R325-D327 IonicContact NH2-OD2 3.82Å; R325-D327 PolarHBondContact NH2-OD2 2.98Å; R325-D327 PolarHBondContact O-N 2.93Å; R325-D328 HydrophobicContact CB-CB 4.15Å; R325-D328 WeakPolarHBondContact O-CB 3.49Å; R325-D328 PolarHBondContact O-N 3.14Å
326A58.6Low59.9Low33 Ų3358.3 Ų58.327%0.27330%0.295SS..THydrogen-bonded Turntrans-66.7-20.4178.300000112.4F316 L429F316-A326 HydrophobicContact CB-CB 3.76Å; F316-A326 HydrophobicContact CG-CB 4.24Å; A326-L429 HydrophobicContact CB-CD1 4.33Å
327D58.8Low59.8Low91 Ų9159.3 Ų59.349%0.48730%0.304SS..THydrogen-bonded Turntrans-98.73.5177.970-23.8000114R325 A329R325-D327 WeakPolarHBondContact CB-OD1 3.31Å; R325-D327 IonicContact CZ-OD1 3.51Å; R325-D327 IonicContact CZ-OD2 2.76Å; R325-D327 IonicContact NE-OD1 3.99Å; R325-D327 PolarHBondContact NE-OD1 3.02Å; R325-D327 IonicContact NE-OD2 3.49Å; R325-D327 IonicContact NH2-OD1 2.7Å; R325-D327 PolarHBondContact NH2-OD1 3.34Å; R325-D327 IonicContact NH2-OD2 3.82Å; R325-D327 PolarHBondContact NH2-OD2 2.98Å; R325-D327 PolarHBondContact O-N 2.93Å; D327-A329 PolarHBondContact O-N 2.71Å
328D62.7Low59.2Low42 Ų4255 Ų5523%0.22530%0.296CS..  trans-64.9129.6174.4-176.3-55.8000109R325 D330 V331 E332R325-D328 HydrophobicContact CB-CB 4.15Å; R325-D328 WeakPolarHBondContact O-CB 3.49Å; R325-D328 PolarHBondContact O-N 3.14Å; D328-D330 VanDerWaalsContact C-N 3.25Å; D328-D330 PolarHBondContact O-N 3.4Å; D328-D330 WeakPolarHBondContact OD1-CB 3.3Å; D328-D330 PolarHBondContact OD1-N 3.11Å; D328-V331 HydrophobicContact CB-CB 3.94Å; D328-V331 HydrophobicContact CB-CG2 3.7Å; D328-V331 CarbonylContact O-C 3.49Å; D328-V331 WeakPolarHBondContact O-CA 3.37Å; D328-V331 WeakPolarHBondContact O-CB 3.17Å; D328-V331 PolarHBondContact O-N 3.43Å; D328-V331 VanDerWaalsContact O-N 3.07Å; D328-E332 WeakPolarHBondContact O-CB 3.42Å; D328-E332 PolarHBondContact O-N 3.39Å
329A65.7Low58.1Low69 Ų6959.8 Ų59.857%0.5732%0.318SS*.Hα-helixtrans-61.9-30.4-174.500000113.4D327 K333D327-A329 PolarHBondContact O-N 2.71Å; A329-K333 WeakPolarHBondContact O-CB 3.29Å; A329-K333 PolarHBondContact O-N 2.88Å
330D64.4Low56.7Low110 Ų11063.9 Ų63.959%0.58834%0.343SS*.Hα-helixtrans-75.6-37175.9-72.6-36.9000110.8D328 K333 E334D328-D330 VanDerWaalsContact C-N 3.25Å; D328-D330 PolarHBondContact O-N 3.4Å; D328-D330 WeakPolarHBondContact OD1-CB 3.3Å; D328-D330 PolarHBondContact OD1-N 3.11Å; D330-K333 PolarHBondContact O-N 3.29Å; D330-E334 WeakPolarHBondContact O-CB 3.49Å; D330-E334 WeakPolarHBondContact O-CG 3.18Å; D330-E334 PolarHBondContact O-N 2.97Å
331V60.8Low55.1Low8 Ų870.7 Ų70.75%0.04837%0.37CS..Hα-helixtrans-65.4-51171.3179.40000109.4I324 D328 K333 E334 F335I324-V331 HydrophobicContact CG2-CG1 3.91Å; I324-V331 HydrophobicContact CG2-CG2 3.81Å; D328-V331 HydrophobicContact CB-CB 3.94Å; D328-V331 HydrophobicContact CB-CG2 3.7Å; D328-V331 CarbonylContact O-C 3.49Å; D328-V331 WeakPolarHBondContact O-CA 3.37Å; D328-V331 WeakPolarHBondContact O-CB 3.17Å; D328-V331 PolarHBondContact O-N 3.43Å; D328-V331 VanDerWaalsContact O-N 3.07Å; V331-K333 VanDerWaalsContact C-N 3.3Å; V331-K333 PolarHBondContact O-N 3.48Å; V331-E334 PolarHBondContact O-N 3.21Å; V331-F335 HydrophobicContact CG1-CD2 3.66Å; V331-F335 HydrophobicContact CG1-CE2 3.6Å; V331-F335 HydrophobicContact CG1-CG 4.44Å; V331-F335 HydrophobicContact CG1-CZ 4.4Å; V331-F335 VanDerWaalsContact O-CB 3.29Å; V331-F335 WeakPolarHBondContact O-CB 3.12Å; V331-F335 WeakPolarHBondContact O-CD2 3.35Å; V331-F335 PolarHBondContact O-N 2.97Å
332E64.1Low52.7Low95 Ų9580.6 Ų80.644%0.44441%0.406SS..Hα-helixtrans-55.2-46.9175.4-171.3-178-171.600110D328 F335 S336D328-E332 WeakPolarHBondContact O-CB 3.42Å; D328-E332 PolarHBondContact O-N 3.39Å; E332-F335 CarbonylContact O-C 3.52Å; E332-F335 PolarHBondContact O-N 2.86Å; E332-S336 WeakPolarHBondContact O-CA 3.28Å; E332-S336 WeakPolarHBondContact O-CB 3.15Å; E332-S336 PolarHBondContact O-N 3.25Å; E332-S336 PolarHBondContact O-OG 3.12Å
333K64.5Low50.6Low108 Ų10890 Ų9047%0.4745%0.447SS..Hα-helixtrans-59.5-47.7176.2-179.9-176.7173.8-166.20112.6A329 D330 V331 F335 S336 N337A329-K333 WeakPolarHBondContact O-CB 3.29Å; A329-K333 PolarHBondContact O-N 2.88Å; D330-K333 PolarHBondContact O-N 3.29Å; V331-K333 VanDerWaalsContact C-N 3.3Å; V331-K333 PolarHBondContact O-N 3.48Å; K333-F335 VanDerWaalsContact C-N 3.25Å; K333-F335 PolarHBondContact O-N 2.92Å; K333-S336 WeakPolarHBondContact CA-OG 3.36Å; K333-S336 PolarHBondContact O-N 3.15Å; K333-S336 PolarHBondContact O-OG 2.99Å; K333-N337 VanDerWaalsContact O-CB 3.29Å; K333-N337 WeakPolarHBondContact O-CB 3.49Å; K333-N337 PolarHBondContact O-N 2.83Å; K333-N337 PolarHBondContact O-ND2 3.47Å
334E59.7Low48.9Very low53 Ų5398.3 Ų98.325%0.24849%0.485CS..Hα-helixtrans-66.8-27.8178-73.9-56.813700113D330 V331 L393 K403D330-E334 WeakPolarHBondContact O-CB 3.49Å; D330-E334 WeakPolarHBondContact O-CG 3.18Å; D330-E334 PolarHBondContact O-N 2.97Å; V331-E334 PolarHBondContact O-N 3.21Å; E334-L393 HydrophobicContact CG-CD2 4.19Å; E334-K403 HydrophobicContact CB-CD 4.33Å; E334-K403 WeakPolarHBondContact OE2-CD 3.43Å; E334-K403 WeakPolarHBondContact OE2-CE 3.26Å; E334-K403 IonicContact OE2-NZ 2.84Å; E334-K403 PolarHBondContact OE2-NZ 3.38Å
335F58.8Low47.4Very low27 Ų27109.3 Ų109.312%0.11853%0.526CS..Hα-helixtrans-90.7-15.8176.9-76.3-112.4000113.2V331 E332 K333 F357 L429 A433V331-F335 HydrophobicContact CG1-CD2 3.66Å; V331-F335 HydrophobicContact CG1-CE2 3.6Å; V331-F335 HydrophobicContact CG1-CG 4.44Å; V331-F335 HydrophobicContact CG1-CZ 4.4Å; V331-F335 VanDerWaalsContact O-CB 3.29Å; V331-F335 WeakPolarHBondContact O-CB 3.12Å; V331-F335 WeakPolarHBondContact O-CD2 3.35Å; V331-F335 PolarHBondContact O-N 2.97Å; E332-F335 CarbonylContact O-C 3.52Å; E332-F335 PolarHBondContact O-N 2.86Å; K333-F335 VanDerWaalsContact C-N 3.25Å; K333-F335 PolarHBondContact O-N 2.92Å; F335-F357 HydrophobicContact CD1-CD2 4.42Å; F335-F357 AromaticContact CD1-CE2 3.73Å; F335-F357 HydrophobicContact CD1-CE2 3.73Å; F335-F357 HydrophobicContact CD2-CE2 4.06Å; F335-F357 HydrophobicContact CD2-CZ 4.36Å; F335-F357 HydrophobicContact CE1-CD2 4.13Å; F335-F357 AromaticContact CE1-CE2 3.55Å; F335-F357 HydrophobicContact CE1-CE2 3.55Å; F335-F357 AromaticContact CE2-CE2 3.93Å; F335-F357 HydrophobicContact CE2-CE2 3.93Å; F335-F357 HydrophobicContact CE2-CZ 4.16Å; F335-F357 HydrophobicContact CG-CE2 4.01Å; F335-F357 AromaticContact CZ-CE2 3.67Å; F335-F357 HydrophobicContact CZ-CE2 3.67Å; F335-F357 HydrophobicContact CZ-CZ 4.24Å; F335-L429 HydrophobicContact CE1-CD1 4.38Å; F335-L429 HydrophobicContact CE1-CD2 4.29Å; F335-L429 HydrophobicContact CE1-CG 4.01Å; F335-L429 HydrophobicContact CZ-CD1 4.34Å; F335-L429 HydrophobicContact CZ-CD2 3.68Å; F335-L429 HydrophobicContact CZ-CG 3.91Å; F335-A433 HydrophobicContact CD1-CB 3.58Å; F335-A433 HydrophobicContact CE1-CB 3.95Å
336S49.5Very low46.1Very low60 Ų60113.2 Ų113.242%0.4255%0.547SS..Hα-helixtrans-109.2-9.6-177.764.60000114.3E332 K333 V338E332-S336 WeakPolarHBondContact O-CA 3.28Å; E332-S336 WeakPolarHBondContact O-CB 3.15Å; E332-S336 PolarHBondContact O-N 3.25Å; E332-S336 PolarHBondContact O-OG 3.12Å; K333-S336 WeakPolarHBondContact CA-OG 3.36Å; K333-S336 PolarHBondContact O-N 3.15Å; K333-S336 PolarHBondContact O-OG 2.99Å; S336-V338 PolarHBondContact O-N 3.03Å
337N37.2Very low44.9Very low98 Ų98117.2 Ų117.252%0.52457%0.573SS.*  trans-68.771.2174.7-85.4-25.2000112.1K333K333-N337 VanDerWaalsContact O-CB 3.29Å; K333-N337 WeakPolarHBondContact O-CB 3.49Å; K333-N337 PolarHBondContact O-N 2.83Å; K333-N337 PolarHBondContact O-ND2 3.47Å
338V34Very low43.7Very low71 Ų71116.4 Ų116.443%0.4358%0.575SS.*SBendtrans-130.2123.9147.8178.80000105.2S336 V340 V356S336-V338 PolarHBondContact O-N 3.03Å; V338-V340 PolarHBondContact O-N 3.43Å; V338-V340 VanDerWaalsContact O-N 3.09Å; V338-V356 HydrophobicContact CG2-CG2 4.1Å
339Q25.9Very low42.3Very low189 Ų189120.6 Ų120.688%0.88359%0.591SS**  trans-54.4116.2-172.7-74.5-175.5-8.100112.2
340V29.2Very low40.8Very low94 Ų94120.8 Ų120.857%0.5759%0.592SS**  trans-135.4129.5157.9-163.90000109.6V338 R342 L352V338-V340 PolarHBondContact O-N 3.43Å; V338-V340 VanDerWaalsContact O-N 3.09Å; V340-R342 PolarHBondContact O-N 3.44Å; V340-L352 HydrophobicContact CB-CD2 4.44Å; V340-L352 HydrophobicContact CG2-CB 4.42Å; V340-L352 HydrophobicContact CG2-CD2 3.11Å; V340-L352 HydrophobicContact CG2-CG 4.33Å
341H26.9Very low39Very low183 Ų183124.4 Ų124.485%0.84760%0.603SS**  trans-53.9122174.6-80.734.6000110.9K343H341-K343 PolarHBondContact O-N 3.23Å
342R26.2Very low37.5Very low243 Ų243129 Ų12992%0.91763%0.627SS**  trans-39.7117171.4-77.9176.5164.6173-4.1111.4V340V340-R342 PolarHBondContact O-N 3.44Å
343K25.9Very low36Very low198 Ų198126.3 Ų126.386%0.86162%0.617SS**  trans-174.4135135.9-100.7161.3-171.2-175.10110.3H341H341-K343 PolarHBondContact O-N 3.23Å
344Q29.9Very low34.6Very low177 Ų177125.1 Ų125.183%0.82762%0.621SS**  trans91.3113.5169.8-63.1178.5-24.600117.4
345R31.6Very low34.1Very low234 Ų234127.2 Ų127.288%0.88363%0.634SS**SBendtrans-72.9128.9-177.8-87.9173.8168.8160.7-5.6110.4S347R345-S347 PolarHBondContact O-N 3.47Å
346F33.5Very low34.3Very low194 Ų194127.1 Ų127.185%0.85164%0.635SS**SBendtrans72.812.9155.2-75.9-79.9000122.1
347S34.7Very low35.7Very low117 Ų117125.1 Ų125.182%0.81862%0.619SS**SBendtrans-121.712.3164.784.30000115.2R345R345-S347 PolarHBondContact O-N 3.47Å
348S33Very low38Very low75 Ų75122.4 Ų122.452%0.52460%0.603SS.*  trans-114.51.6-175.959.80000115.2A350 K351S348-A350 PolarHBondContact O-N 3.02Å; S348-A350 VanDerWaalsContact O-N 3.12Å; S348-K351 PolarHBondContact O-N 3.4Å
349F33.8Very low40.8Very low130 Ų130119.1 Ų119.157%0.5758%0.583SS**THydrogen-bonded Turntrans-57.3-30.7179.7-154.7-94.6000112.3
350A32.7Very low44.1Very low72 Ų72110.1 Ų110.160%0.59554%0.541SS*.THydrogen-bonded Turntrans-93.1-6.3-17400000115.7S348S348-A350 PolarHBondContact O-N 3.02Å; S348-A350 VanDerWaalsContact O-N 3.12Å
351K27.8Very low47.4Very low186 Ų186105.6 Ų105.681%0.80951%0.513SS*.THydrogen-bonded Turntrans-113.7-4.9-169.5-95.7-176.5178.6178.50116.5S348S348-K351 PolarHBondContact O-N 3.4Å
352L28.2Very low50.7Low106 Ų10696.9 Ų96.956%0.55547%0.473SS*.SBendtrans-148.649.1175-131.799.1000114.4V340V340-L352 HydrophobicContact CB-CD2 4.44Å; V340-L352 HydrophobicContact CG2-CB 4.42Å; V340-L352 HydrophobicContact CG2-CD2 3.11Å; V340-L352 HydrophobicContact CG2-CG 4.33Å
353T34Very low54.1Low38 Ų3885.3 Ų85.323%0.23343%0.429CS..  trans-123.454.1159.5510000109.2A433T353-A433 PolarHBondContact OG1-O 3.35Å
354C34.5Very low57.2Low83 Ų8378.1 Ų78.156%0.56140%0.398SS*.  trans-69.5144.2153-69.40000107.3
355D48.3Very low60Low97 Ų9770.6 Ų70.652%0.51937%0.365SS..SBendtrans86.4-0.4157.5-55.4-55.8000121.8K358D355-K358 WeakPolarHBondContact OD1-CE 3.49Å; D355-K358 IonicContact OD1-NZ 3.54Å; D355-K358 PolarHBondContact OD1-NZ 3.5Å
356V64.7Low62.9Low24 Ų2461.2 Ų61.215%0.14534%0.337CS..SBendtrans-70.4-44.9-178.4-173.10000113.6V338 P406V338-V356 HydrophobicContact CG2-CG2 4.1Å; V356-P406 VanDerWaalsContact O-CA 3.29Å; V356-P406 WeakPolarHBondContact O-CA 3.41Å
357F77.2Confident65.6Low19 Ų1955.3 Ų55.38%0.08332%0.315CS..  trans-129.7120-178.2-58.6-66.1000111.3F335 K403 L408 L430F335-F357 HydrophobicContact CD1-CD2 4.42Å; F335-F357 AromaticContact CD1-CE2 3.73Å; F335-F357 HydrophobicContact CD1-CE2 3.73Å; F335-F357 HydrophobicContact CD2-CE2 4.06Å; F335-F357 HydrophobicContact CD2-CZ 4.36Å; F335-F357 HydrophobicContact CE1-CD2 4.13Å; F335-F357 AromaticContact CE1-CE2 3.55Å; F335-F357 HydrophobicContact CE1-CE2 3.55Å; F335-F357 AromaticContact CE2-CE2 3.93Å; F335-F357 HydrophobicContact CE2-CE2 3.93Å; F335-F357 HydrophobicContact CE2-CZ 4.16Å; F335-F357 HydrophobicContact CG-CE2 4.01Å; F335-F357 AromaticContact CZ-CE2 3.67Å; F335-F357 HydrophobicContact CZ-CE2 3.67Å; F335-F357 HydrophobicContact CZ-CZ 4.24Å; F357-K403 HydrophobicContact CE1-CD 3.46Å; F357-K403 VanDerWaalsContact CE1-CD 3.46Å; F357-K403 VanDerWaalsContact CE1-CE 3.42Å; F357-K403 HydrophobicContact CE1-CG 3.81Å; F357-K403 HydrophobicContact CZ-CD 3.65Å; F357-K403 HydrophobicContact CZ-CG 4.46Å; F357-L408 HydrophobicContact CD1-CD1 3.98Å; F357-L408 HydrophobicContact CD1-CD2 3.81Å; F357-L408 HydrophobicContact CD1-CG 3.56Å; F357-L408 HydrophobicContact CD2-CD1 4.45Å; F357-L408 HydrophobicContact CE1-CD1 4.21Å; F357-L408 HydrophobicContact CE1-CD2 3.41Å; F357-L408 VanDerWaalsContact CE1-CD2 3.41Å; F357-L408 HydrophobicContact CE1-CG 3.74Å; F357-L408 HydrophobicContact CG-CD1 4.1Å; F357-L408 HydrophobicContact CG-CG 4.17Å; F357-L408 HydrophobicContact CZ-CD2 4.02Å; F357-L408 HydrophobicContact CZ-CG 4.49Å; F357-L430 HydrophobicContact CB-CD2 4.29Å; F357-L430 HydrophobicContact CD2-CD2 4Å; F357-L430 HydrophobicContact CG-CD2 4.39Å
358K86.1Confident68.3Low41 Ų4150.5 Ų50.518%0.17828%0.281CS..  trans-111.6-25.5179.6-67.7-176.1175.7174.30112.8D355 P406 P438 Y439 L611 E615D355-K358 WeakPolarHBondContact OD1-CE 3.49Å; D355-K358 IonicContact OD1-NZ 3.54Å; D355-K358 PolarHBondContact OD1-NZ 3.5Å; K358-P406 HydrophobicContact CB-CB 4.27Å; K358-P406 HydrophobicContact CG-CB 4.39Å; K358-P406 PolarHBondContact N-O 3.13Å; K358-P438 VanDerWaalsContact C-CB 3.48Å; K358-P438 CarbonylContact O-C 3.55Å; K358-P438 WeakPolarHBondContact O-CA 3.31Å; K358-P438 VanDerWaalsContact O-CB 3.31Å; K358-P438 WeakPolarHBondContact O-CB 3.26Å; K358-Y439 WeakPolarHBondContact O-CD2 3.48Å; K358-Y439 PolarHBondContact O-N 3.01Å; K358-L611 HydrophobicContact CD-CD2 3.87Å; K358-E615 IonicContact NZ-OE1 2.71Å; K358-E615 PolarHBondContact NZ-OE1 3.4Å; K358-E615 IonicContact NZ-OE2 3.79Å
359F93.3Very high71.2Confident1 Ų146.9 Ų46.90%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-134.1134.9-174.2-50-87000111.3F361 P406 V407 L408 Y439 F441 I607 L610 L611F359-F361 HydrophobicContact CB-CD2 4.47Å; F359-F361 HydrophobicContact CB-CE2 3.83Å; F359-P406 PolarHBondContact N-O 3.45Å; F359-V407 HydrophobicContact CB-CG1 4.31Å; F359-V407 HydrophobicContact CB-CG2 4.24Å; F359-V407 HydrophobicContact CD2-CG2 4.13Å; F359-V407 WeakPolarHBondContact O-CA 3.44Å; F359-L408 PolarHBondContact O-N 3.41Å; F359-Y439 HydrophobicContact CD1-CD2 4.13Å; F359-Y439 AromaticContact CE1-CD2 3.87Å; F359-Y439 HydrophobicContact CE1-CD2 3.87Å; F359-Y439 HydrophobicContact CE1-CE2 4.48Å; F359-F441 AromaticContact CD1-CE2 3.85Å; F359-F441 HydrophobicContact CD1-CE2 3.85Å; F359-F441 HydrophobicContact CD1-CZ 4.43Å; F359-I607 HydrophobicContact CD1-CG1 4.11Å; F359-I607 HydrophobicContact CD2-CG1 4.21Å; F359-I607 HydrophobicContact CD2-CG2 3.97Å; F359-I607 HydrophobicContact CE1-CG1 4.44Å; F359-I607 HydrophobicContact CE2-CB 4.42Å; F359-I607 HydrophobicContact CE2-CG2 3.67Å; F359-I607 HydrophobicContact CG-CG1 4.01Å; F359-I607 HydrophobicContact CZ-CB 4.42Å; F359-I607 HydrophobicContact CZ-CG2 4.03Å; F359-L610 HydrophobicContact CE1-CB 3.7Å; F359-L610 HydrophobicContact CE1-CD1 3.92Å; F359-L610 HydrophobicContact CE1-CG 4.48Å; F359-L610 HydrophobicContact CZ-CB 3.93Å; F359-L611 HydrophobicContact CE2-CD1 4.42Å; F359-L611 HydrophobicContact CE2-CD2 3.72Å; F359-L611 HydrophobicContact CE2-CG 3.84Å; F359-L611 HydrophobicContact CZ-CD2 4.09Å; F359-L611 HydrophobicContact CZ-CG 3.94Å
360V95.2Very high74.1Confident0 Ų042.8 Ų42.80%024%0.24CC..EExtended strand (participates in β ladder)trans-124.9119.3173.4-1760000109.7F362 L408 V410 L426 L430 P438 Y439 Y440 F441V360-F362 HydrophobicContact CB-CE2 4.04Å; V360-F362 HydrophobicContact CG1-CD2 3.99Å; V360-F362 HydrophobicContact CG1-CE2 3.42Å; V360-F362 VanDerWaalsContact CG1-CE2 3.42Å; V360-F362 HydrophobicContact CG1-CZ 3.78Å; V360-L408 CarbonylContact C-O 3.19Å; V360-L408 WeakPolarHBondContact CA-O 3.48Å; V360-L408 HydrophobicContact CG1-CB 4.37Å; V360-L408 HydrophobicContact CG2-CB 4.31Å; V360-L408 HydrophobicContact CG2-CD1 4.39Å; V360-V410 HydrophobicContact CG1-CG2 4.12Å; V360-L426 HydrophobicContact CG1-CD2 3.44Å; V360-L426 VanDerWaalsContact CG1-CD2 3.44Å; V360-L426 HydrophobicContact CG2-CD2 4.49Å; V360-L430 HydrophobicContact CG2-CD1 3.92Å; V360-P438 HydrophobicContact CG2-CB 4.16Å; V360-P438 HydrophobicContact CG2-CG 3.97Å; V360-Y439 PolarHBondContact N-O 2.51Å; V360-Y440 HydrophobicContact CB-CD1 3.66Å; V360-Y440 HydrophobicContact CB-CE1 3.77Å; V360-Y440 HydrophobicContact CG1-CD1 4.39Å; V360-Y440 HydrophobicContact CG1-CE1 4.26Å; V360-Y440 HydrophobicContact CG2-CD1 3.88Å; V360-Y440 HydrophobicContact CG2-CE1 3.58Å; V360-F441 PolarHBondContact O-N 3.38Å
361F97.4Very high77Confident0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-103.2113.5176.7-69.9-86.3000110.8F359 M372 I376 V407 L408 V410 F441 V443 A603 I607F359-F361 HydrophobicContact CB-CD2 4.47Å; F359-F361 HydrophobicContact CB-CE2 3.83Å; F361-M372 HydrophobicContact CD1-CE 3.9Å; F361-M372 HydrophobicContact CE1-CE 4.41Å; F361-M372 HydrophobicContact CG-CE 4.31Å; F361-I376 HydrophobicContact CD2-CD1 4.22Å; F361-I376 HydrophobicContact CE2-CD1 4.17Å; F361-V407 HydrophobicContact CD2-CG1 3.5Å; F361-V407 HydrophobicContact CE2-CG1 3.72Å; F361-L408 PolarHBondContact N-O 3.21Å; F361-V410 PolarHBondContact O-N 2.8Å; F361-F441 CarbonylContact C-O 3.55Å; F361-F441 WeakPolarHBondContact CA-O 3.32Å; F361-F441 HydrophobicContact CD1-CB 3.58Å; F361-F441 HydrophobicContact CD1-CD2 4.28Å; F361-F441 HydrophobicContact CD1-CG 4.16Å; F361-F441 HydrophobicContact CE1-CB 3.65Å; F361-F441 AromaticContact CE1-CD2 3.81Å; F361-F441 HydrophobicContact CE1-CD2 3.81Å; F361-F441 AromaticContact CE1-CG 3.74Å; F361-F441 HydrophobicContact CE1-CG 3.74Å; F361-F441 HydrophobicContact CE2-CD2 4.36Å; F361-F441 HydrophobicContact CG-CB 4.4Å; F361-F441 AromaticContact CZ-CD2 3.86Å; F361-F441 HydrophobicContact CZ-CD2 3.86Å; F361-F441 HydrophobicContact CZ-CE2 4.37Å; F361-F441 HydrophobicContact CZ-CG 4.24Å; F361-V443 HydrophobicContact CB-CG2 4.18Å; F361-V443 HydrophobicContact CD1-CG1 3.69Å; F361-V443 HydrophobicContact CD1-CG2 4.03Å; F361-V443 HydrophobicContact CE1-CG1 4.15Å; F361-A603 HydrophobicContact CD1-CB 4.21Å; F361-A603 HydrophobicContact CE1-CB 3.52Å; F361-A603 HydrophobicContact CZ-CB 4.03Å; F361-I607 HydrophobicContact CE2-CD1 3.64Å; F361-I607 HydrophobicContact CE2-CG1 3.95Å; F361-I607 HydrophobicContact CZ-CD1 3.83Å; F361-I607 HydrophobicContact CZ-CG1 3.87Å
362F97.7Very high80.2Confident0 Ų034.8 Ų34.80%019%0.189CC..EExtended strand (participates in β ladder)trans-87.1111.8173.9-63.7-100.9000109V360 V410 H412 T422 L423 L426 Y440 F441 L442 V443 F557V360-F362 HydrophobicContact CB-CE2 4.04Å; V360-F362 HydrophobicContact CG1-CD2 3.99Å; V360-F362 HydrophobicContact CG1-CE2 3.42Å; V360-F362 VanDerWaalsContact CG1-CE2 3.42Å; V360-F362 HydrophobicContact CG1-CZ 3.78Å; F362-V410 CarbonylContact C-O 3.53Å; F362-V410 WeakPolarHBondContact CA-O 3.37Å; F362-H412 HydrophobicContact CD1-CB 4.22Å; F362-T422 HydrophobicContact CD1-CG2 4Å; F362-T422 HydrophobicContact CE1-CG2 3.7Å; F362-L423 HydrophobicContact CE1-CD2 3.87Å; F362-L423 HydrophobicContact CE1-CG 4.27Å; F362-L423 HydrophobicContact CE2-CD2 4.38Å; F362-L423 HydrophobicContact CZ-CD2 3.73Å; F362-L426 HydrophobicContact CE1-CD2 4.18Å; F362-L426 HydrophobicContact CZ-CD2 3.88Å; F362-Y440 AromaticContact CE2-CD1 3.97Å; F362-Y440 HydrophobicContact CE2-CD1 3.97Å; F362-Y440 AromaticContact CE2-CD2 3.47Å; F362-Y440 HydrophobicContact CE2-CD2 3.47Å; F362-Y440 VanDerWaalsContact CE2-CD2 3.47Å; F362-Y440 HydrophobicContact CE2-CE1 4.27Å; F362-Y440 AromaticContact CE2-CE2 3.86Å; F362-Y440 HydrophobicContact CE2-CE2 3.86Å; F362-Y440 AromaticContact CE2-CG 3.54Å; F362-Y440 HydrophobicContact CE2-CG 3.54Å; F362-Y440 HydrophobicContact CZ-CD1 4.49Å; F362-Y440 AromaticContact CZ-CD2 3.66Å; F362-Y440 HydrophobicContact CZ-CD2 3.66Å; F362-Y440 HydrophobicContact CZ-CE1 4.37Å; F362-Y440 AromaticContact CZ-CE2 3.56Å; F362-Y440 HydrophobicContact CZ-CE2 3.56Å; F362-Y440 HydrophobicContact CZ-CG 4.14Å; F362-Y440 AromaticContact CZ-CZ 3.93Å; F362-F441 PolarHBondContact N-O 2.56Å; F362-L442 HydrophobicContact CB-CD1 3.85Å; F362-V443 PolarHBondContact O-N 2.74Å; F362-F557 AromaticContact CD2-CE2 3.69Å; F362-F557 HydrophobicContact CD2-CE2 3.69Å; F362-F557 HydrophobicContact CD2-CZ 4.32Å; F362-F557 HydrophobicContact CE2-CE2 4.01Å; F362-F557 HydrophobicContact CG-CE2 4.05Å
363C95.7Very high83.4Confident0 Ų029.8 Ų29.80%016%0.163CC..EExtended strand (participates in β ladder)trans-109.2153.1178.8-68.60000111.4S365 A369 V410 S411 H412 V443C363-S365 PolarHBondContact O-N 3.04Å; C363-A369 HydrophobicContact CB-CB 4.01Å; C363-V410 PolarHBondContact N-O 3.24Å; C363-S411 CarbonylContact O-C 3.6Å; C363-S411 WeakPolarHBondContact O-CA 3.37Å; C363-H412 PolarHBondContact O-CD2 3.26Å; C363-H412 PolarHBondContact O-N 3.45Å; C363-V443 VanDerWaalsContact SG-CG2 3.59Å
364K91.1Very high86.3Confident46 Ų4631.6 Ų31.620%0.217%0.169CC..SBendtrans-73.4-23.6-172.4-165.9173.9178.176.20114.7G413 L414 E553K364-G413 WeakPolarHBondContact O-CA 3.21Å; K364-L414 HydrophobicContact CD-CD2 4.03Å; K364-L414 HydrophobicContact CG-CD2 3.88Å; K364-E553 IonicContact NZ-OE1 3.48Å; K364-E553 PolarHBondContact NZ-OE1 2.64Å
365S90.4Very high89.1Confident19 Ų1929 Ų2913%0.13315%0.147CC..SBendtrans-143.6161179.576.70000112.1D71 C363 N367 S368 A369D71-S365 WeakPolarHBondContact OD2-CB 3.38Å; D71-S365 PolarHBondContact OD2-OG 3.03Å; C363-S365 PolarHBondContact O-N 3.04Å; S365-N367 VanDerWaalsContact C-N 3.29Å; S365-N367 PolarHBondContact O-N 3.24Å; S365-S368 PolarHBondContact O-N 3.12Å; S365-S368 VanDerWaalsContact O-N 3.14Å; S365-S368 PolarHBondContact OG-N 3.42Å; S365-A369 PolarHBondContact O-N 3.4Å
366A90.7Very high91.2Very high37 Ų3724.3 Ų24.331%0.30612%0.122SC..Hα-helixtrans-56.4-43176.500000111.8S368 A369 L370 A400 Y402A366-S368 VanDerWaalsContact C-N 3.34Å; A366-S368 PolarHBondContact O-N 2.92Å; A366-A369 PolarHBondContact O-N 2.97Å; A366-L370 PolarHBondContact O-N 3.49Å; A366-A400 HydrophobicContact CB-CB 3.68Å; A366-Y402 WeakPolarHBondContact O-CE2 3.41Å
367N90.3Very high92.4Very high71 Ų7123.4 Ų23.438%0.3812%0.118SC..Hα-helixtrans-65.2-36.7177.4-65.6-29.5000112.6D71 S365 A369 R371D71-N367 WeakPolarHBondContact CB-ND2 3.3Å; D71-N367 WeakPolarHBondContact OD2-CB 3.38Å; D71-N367 PolarHBondContact OD2-ND2 2.92Å; S365-N367 VanDerWaalsContact C-N 3.29Å; S365-N367 PolarHBondContact O-N 3.24Å; N367-A369 VanDerWaalsContact C-N 3.35Å; N367-R371 WeakPolarHBondContact O-CG 3.46Å; N367-R371 PolarHBondContact O-N 3.37Å; N367-R371 PolarHBondContact O-NH1 2.93Å
368S92.3Very high93Very high15 Ų1526.5 Ų26.511%0.10515%0.147CC..Hα-helixtrans-68.7-36175.6-175.30000111.8S365 A366 M372S365-S368 PolarHBondContact O-N 3.12Å; S365-S368 VanDerWaalsContact O-N 3.14Å; S365-S368 PolarHBondContact OG-N 3.42Å; A366-S368 VanDerWaalsContact C-N 3.34Å; A366-S368 PolarHBondContact O-N 2.92Å; S368-M372 WeakPolarHBondContact O-CB 3.19Å; S368-M372 PolarHBondContact O-N 3.11Å; S368-M372 VanDerWaalsContact O-N 3.15Å
369A94.5Very high93Very high0 Ų029.7 Ų29.70%016%0.158CC..Hα-helixtrans-68.6-43.5175.800000111.4C363 S365 A366 N367 M372 A373 Y402 C409C363-A369 HydrophobicContact CB-CB 4.01Å; S365-A369 PolarHBondContact O-N 3.4Å; A366-A369 PolarHBondContact O-N 2.97Å; N367-A369 VanDerWaalsContact C-N 3.35Å; A369-M372 PolarHBondContact O-N 3.04Å; A369-A373 WeakPolarHBondContact O-CB 3.45Å; A369-A373 PolarHBondContact O-N 3.33Å; A369-Y402 HydrophobicContact CB-CD2 3.82Å; A369-Y402 HydrophobicContact CB-CE2 4.01Å; A369-C409 HydrophobicContact CB-CB 4.31Å; A369-C409 VanDerWaalsContact O-CB 3.32Å; A369-C409 WeakPolarHBondContact O-CB 3.36Å
370L94.1Very high92.5Very high44 Ų4430.1 Ų30.123%0.2316%0.16CC..Hα-helixtrans-60.1-52.5175.917857.3000111.3A366 M372 A373 E374 P390 Y402A366-L370 PolarHBondContact O-N 3.49Å; L370-M372 PolarHBondContact O-N 3.35Å; L370-A373 WeakPolarHBondContact O-CA 3.43Å; L370-A373 WeakPolarHBondContact O-CB 3.24Å; L370-A373 PolarHBondContact O-N 3.17Å; L370-E374 HydrophobicContact CD1-CG 4.11Å; L370-E374 HydrophobicContact CG-CG 4.42Å; L370-E374 WeakPolarHBondContact O-CG 3.41Å; L370-E374 PolarHBondContact O-N 2.88Å; L370-P390 HydrophobicContact CD1-CB 4.22Å; L370-P390 HydrophobicContact CD1-CG 4.18Å; L370-Y402 HydrophobicContact CB-CD2 4.24Å; L370-Y402 HydrophobicContact CB-CE1 4.25Å; L370-Y402 HydrophobicContact CB-CE2 3.68Å; L370-Y402 HydrophobicContact CD1-CD1 3.96Å; L370-Y402 HydrophobicContact CD1-CE1 3.71Å; L370-Y402 HydrophobicContact CG-CE1 4.44Å
371R94.2Very high91.6Very high90 Ų9033 Ų3334%0.3418%0.178SC..Hα-helixtrans-60.2-35.4179.1-71.8-166.3-56.8-77.9-0.9112.6N367 Y375 E596 F600N367-R371 WeakPolarHBondContact O-CG 3.46Å; N367-R371 PolarHBondContact O-N 3.37Å; N367-R371 PolarHBondContact O-NH1 2.93Å; R371-Y375 WeakPolarHBondContact O-CB 3.09Å; R371-Y375 PolarHBondContact O-N 3.09Å; R371-E596 IonicContact CZ-OE1 3.67Å; R371-E596 IonicContact CZ-OE2 2.8Å; R371-E596 VanDerWaalsContact CZ-OE2 3.24Å; R371-E596 IonicContact NE-OE2 2.72Å; R371-E596 PolarHBondContact NE-OE2 3.41Å; R371-E596 VanDerWaalsContact NH2-CD 3.32Å; R371-E596 IonicContact NH2-OE1 3.66Å; R371-E596 PolarHBondContact NH2-OE1 2.92Å; R371-E596 IonicContact NH2-OE2 3.51Å; R371-E596 PolarHBondContact NH2-OE2 3Å; R371-F600 HydrophobicContact CB-CE2 3.93Å; R371-F600 HydrophobicContact CB-CZ 4.26Å
372M95.2Very high90.4Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-66.1-45173.8-179.170108.900110.9F361 S368 A369 L370 Y375 I376 C409 V443 F600 A603F361-M372 HydrophobicContact CD1-CE 3.9Å; F361-M372 HydrophobicContact CE1-CE 4.41Å; F361-M372 HydrophobicContact CG-CE 4.31Å; S368-M372 WeakPolarHBondContact O-CB 3.19Å; S368-M372 PolarHBondContact O-N 3.11Å; S368-M372 VanDerWaalsContact O-N 3.15Å; A369-M372 PolarHBondContact O-N 3.04Å; L370-M372 PolarHBondContact O-N 3.35Å; M372-Y375 WeakPolarHBondContact O-CB 3.43Å; M372-Y375 PolarHBondContact O-N 2.64Å; M372-I376 HydrophobicContact CG-CD1 3.76Å; M372-I376 HydrophobicContact CG-CG1 4.39Å; M372-I376 WeakPolarHBondContact O-CB 3.32Å; M372-I376 VanDerWaalsContact O-CG1 3.32Å; M372-I376 WeakPolarHBondContact O-CG1 3.47Å; M372-I376 PolarHBondContact O-N 3.16Å; M372-I376 HydrophobicContact SD-CD1 3.9Å; M372-I376 HydrophobicContact SD-CG1 4.21Å; M372-C409 VanDerWaalsContact CG-SG 3.54Å; M372-V443 HydrophobicContact CE-CB 4.31Å; M372-V443 HydrophobicContact CE-CG2 3.73Å; M372-F600 HydrophobicContact CB-CD1 4.45Å; M372-F600 HydrophobicContact CB-CE1 3.94Å; M372-F600 HydrophobicContact CB-CE2 4.35Å; M372-F600 HydrophobicContact CB-CZ 3.88Å; M372-F600 HydrophobicContact CE-CD1 3.52Å; M372-F600 HydrophobicContact CE-CE1 3.88Å; M372-F600 HydrophobicContact CE-CG 4.37Å; M372-F600 HydrophobicContact CG-CD1 4.48Å; M372-F600 HydrophobicContact CG-CE1 4.37Å; M372-F600 HydrophobicContact SD-CB 3.96Å; M372-F600 HydrophobicContact SD-CD1 3.28Å; M372-F600 WeakPolarHBondContact SD-CD1 3.18Å; M372-F600 HydrophobicContact SD-CD2 4.31Å; M372-F600 HydrophobicContact SD-CE1 3.72Å; M372-F600 HydrophobicContact SD-CG 3.61Å; M372-F600 HydrophobicContact SD-CZ 4.39Å; M372-A603 HydrophobicContact CE-CB 3.5Å; M372-A603 VanDerWaalsContact CE-CB 3.5Å; M372-A603 HydrophobicContact SD-CB 4.21Å
373A94.4Very high89.4Confident0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-60.8-47.6178.100000111.6A369 L370 Y375 I376 G377 P390 Y402 V404 C409A369-A373 WeakPolarHBondContact O-CB 3.45Å; A369-A373 PolarHBondContact O-N 3.33Å; L370-A373 WeakPolarHBondContact O-CA 3.43Å; L370-A373 WeakPolarHBondContact O-CB 3.24Å; L370-A373 PolarHBondContact O-N 3.17Å; A373-Y375 VanDerWaalsContact C-N 3.3Å; A373-Y375 PolarHBondContact O-N 2.95Å; A373-I376 PolarHBondContact O-N 2.58Å; A373-G377 PolarHBondContact O-N 2.86Å; A373-P390 HydrophobicContact CB-CB 3.83Å; A373-P390 HydrophobicContact CB-CG 3.77Å; A373-Y402 HydrophobicContact CB-CG 4.35Å; A373-V404 HydrophobicContact CB-CG1 4.05Å; A373-V404 HydrophobicContact CB-CG2 4.32Å; A373-V404 WeakPolarHBondContact O-CG1 3.31Å; A373-C409 HydrophobicContact CB-CB 4.06Å
374E94.1Very high88.5Confident77 Ų7743.2 Ų43.236%0.3623%0.234SC..Hα-helixtrans-58.2-43.1173.5-68.1170.4157.800111.5L370 G377 A378 P390L370-E374 HydrophobicContact CD1-CG 4.11Å; L370-E374 HydrophobicContact CG-CG 4.42Å; L370-E374 WeakPolarHBondContact O-CG 3.41Å; L370-E374 PolarHBondContact O-N 2.88Å; E374-G377 PolarHBondContact O-N 3.13Å; E374-A378 VanDerWaalsContact O-CB 3.3Å; E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 2.72Å; E374-P390 HydrophobicContact CG-CG 3.92Å
375Y93.5Very high87.7Confident27 Ų2745.2 Ų45.211%0.10625%0.251CS..Hα-helixtrans-63.8-44.8-178.9-162.9-92.8000112.8R371 M372 A373 R379 Q597 F600 N601R371-Y375 WeakPolarHBondContact O-CB 3.09Å; R371-Y375 PolarHBondContact O-N 3.09Å; M372-Y375 WeakPolarHBondContact O-CB 3.43Å; M372-Y375 PolarHBondContact O-N 2.64Å; A373-Y375 VanDerWaalsContact C-N 3.3Å; A373-Y375 PolarHBondContact O-N 2.95Å; Y375-R379 VanDerWaalsContact CE1-CZ 3.49Å; Y375-R379 VanDerWaalsContact CE2-CZ 3.42Å; Y375-R379 VanDerWaalsContact CE2-NH1 3.28Å; Y375-R379 VanDerWaalsContact CZ-NE 3.27Å; Y375-R379 WeakPolarHBondContact O-CD 3.41Å; Y375-R379 PolarHBondContact OH-NE 3.47Å; Y375-R379 PolarHBondContact OH-NH2 2.92Å; Y375-Q597 HydrophobicContact CE2-CG 3.84Å; Y375-Q597 VanDerWaalsContact OH-CG 3.31Å; Y375-Q597 WeakPolarHBondContact OH-CG 3.28Å; Y375-F600 HydrophobicContact CD1-CB 3.46Å; Y375-F600 VanDerWaalsContact CD1-CB 3.46Å; Y375-F600 HydrophobicContact CD1-CD2 4.27Å; Y375-F600 HydrophobicContact CD1-CG 4.34Å; Y375-F600 HydrophobicContact CD2-CB 4.37Å; Y375-F600 AromaticContact CD2-CD2 3.95Å; Y375-F600 HydrophobicContact CD2-CD2 3.95Å; Y375-F600 HydrophobicContact CE1-CB 3.61Å; Y375-F600 HydrophobicContact CG-CB 3.85Å; Y375-F600 AromaticContact CG-CD2 3.75Å; Y375-F600 HydrophobicContact CG-CD2 3.75Å; Y375-F600 HydrophobicContact CG-CG 4.27Å; Y375-N601 WeakPolarHBondContact CE1-OD1 3.25Å; Y375-N601 VanDerWaalsContact OH-CG 3.23Å; Y375-N601 PolarHBondContact OH-OD1 2.71Å
376I92.4Very high86.8Confident0 Ų055.7 Ų55.70%029%0.29CS..Hα-helixtrans-68.6-46.8177.7-69.7173.5000109.8F361 M372 A373 A378 R379 L380 V404 V407 I607F361-I376 HydrophobicContact CD2-CD1 4.22Å; F361-I376 HydrophobicContact CE2-CD1 4.17Å; M372-I376 HydrophobicContact CG-CD1 3.76Å; M372-I376 HydrophobicContact CG-CG1 4.39Å; M372-I376 WeakPolarHBondContact O-CB 3.32Å; M372-I376 VanDerWaalsContact O-CG1 3.32Å; M372-I376 WeakPolarHBondContact O-CG1 3.47Å; M372-I376 PolarHBondContact O-N 3.16Å; M372-I376 HydrophobicContact SD-CD1 3.9Å; M372-I376 HydrophobicContact SD-CG1 4.21Å; A373-I376 PolarHBondContact O-N 2.58Å; I376-A378 VanDerWaalsContact C-N 3.26Å; I376-A378 PolarHBondContact O-N 3.07Å; I376-R379 PolarHBondContact O-N 3.28Å; I376-L380 HydrophobicContact CG2-CD1 3.54Å; I376-L380 HydrophobicContact CG2-CG 4.08Å; I376-L380 PolarHBondContact O-N 3.23Å; I376-V404 HydrophobicContact CB-CG2 4.1Å; I376-V404 HydrophobicContact CG2-CG2 3.83Å; I376-V407 HydrophobicContact CD1-CG1 3.94Å; I376-V407 HydrophobicContact CG2-CB 4.49Å; I376-V407 HydrophobicContact CG2-CG2 4.13Å; I376-I607 HydrophobicContact CD1-CD1 3.84Å; I376-I607 HydrophobicContact CG1-CD1 4.28Å; I376-I607 HydrophobicContact CG2-CD1 4.23Å
377G90Very high86.1Confident5 Ų557.4 Ų57.45%0.05231%0.311CS..Hα-helixtrans-60-33.4179.100000113.6A373 E374 R379A373-G377 PolarHBondContact O-N 2.86Å; E374-G377 PolarHBondContact O-N 3.13Å; G377-R379 VanDerWaalsContact C-N 3.31Å; G377-R379 PolarHBondContact O-N 3.46Å
378A89.4Confident85.7Confident83 Ų8359.4 Ų59.469%0.68632%0.319SS*.THydrogen-bonded Turntrans-77.8-10.3176.500000114.6E374 I376E374-A378 VanDerWaalsContact O-CB 3.3Å; E374-A378 WeakPolarHBondContact O-CB 3.41Å; E374-A378 PolarHBondContact O-N 2.72Å; I376-A378 VanDerWaalsContact C-N 3.26Å; I376-A378 PolarHBondContact O-N 3.07Å
379R87Confident85.4Confident109 Ų10966 Ų6641%0.41135%0.348SS..THydrogen-bonded Turntrans-116.4-37-172.6-80.5168.3167.566.67.9113.7Y375 I376 G377 T604Y375-R379 VanDerWaalsContact CE1-CZ 3.49Å; Y375-R379 VanDerWaalsContact CE2-CZ 3.42Å; Y375-R379 VanDerWaalsContact CE2-NH1 3.28Å; Y375-R379 VanDerWaalsContact CZ-NE 3.27Å; Y375-R379 WeakPolarHBondContact O-CD 3.41Å; Y375-R379 PolarHBondContact OH-NE 3.47Å; Y375-R379 PolarHBondContact OH-NH2 2.92Å; I376-R379 PolarHBondContact O-N 3.28Å; G377-R379 VanDerWaalsContact C-N 3.31Å; G377-R379 PolarHBondContact O-N 3.46Å; R379-T604 HydrophobicContact CB-CG2 4.21Å
380L83.2Confident85Confident9 Ų966.5 Ų66.55%0.04735%0.352CS..SBendtrans-81.6133.1176.8-62.7-177.6000109.7I376 V383 T604 I607 E608I376-L380 HydrophobicContact CG2-CD1 3.54Å; I376-L380 HydrophobicContact CG2-CG 4.08Å; I376-L380 PolarHBondContact O-N 3.23Å; L380-V383 HydrophobicContact CB-CB 3.8Å; L380-V383 HydrophobicContact CB-CG1 4.23Å; L380-V383 HydrophobicContact CB-CG2 3.4Å; L380-V383 HydrophobicContact CD1-CG2 4.21Å; L380-V383 HydrophobicContact CG-CG2 4.46Å; L380-T604 HydrophobicContact CD2-CG2 4.23Å; L380-I607 HydrophobicContact CD1-CD1 4.37Å; L380-I607 HydrophobicContact CD1-CG2 3.79Å; L380-I607 HydrophobicContact CD2-CG2 4.47Å; L380-E608 HydrophobicContact CD2-CG 3.97Å
381P76.4Confident84.5Confident60 Ų6068.9 Ų68.939%0.3937%0.368SS..THydrogen-bonded Turntrans-62.7139.4-178.426.8-34.1000110.8V383 Y616P381-V383 WeakPolarHBondContact O-CG2 3.44Å; P381-V383 PolarHBondContact O-N 3.16Å; P381-Y616 HydrophobicContact CG-CD1 4.28Å; P381-Y616 HydrophobicContact CG-CE1 3.99Å
382N72.4Confident84.2Confident152 Ų15267.3 Ų67.381%0.81337%0.367SS*.THydrogen-bonded Turntrans57.614.7174.9-53.9-34.7000116
383V75.8Confident83.7Confident23 Ų2368.3 Ų68.314%0.13937%0.372CS..SBendtrans-87.4-33.1-175.1162.50000113L380 P381 V404 G405L380-V383 HydrophobicContact CB-CB 3.8Å; L380-V383 HydrophobicContact CB-CG1 4.23Å; L380-V383 HydrophobicContact CB-CG2 3.4Å; L380-V383 HydrophobicContact CD1-CG2 4.21Å; L380-V383 HydrophobicContact CG-CG2 4.46Å; P381-V383 WeakPolarHBondContact O-CG2 3.44Å; P381-V383 PolarHBondContact O-N 3.16Å; V383-V404 VanDerWaalsContact CG1-C 3.41Å; V383-V404 HydrophobicContact CG1-CB 3.73Å; V383-V404 HydrophobicContact CG1-CG2 4.28Å; V383-G405 PolarHBondContact O-N 2.74Å
384L76.1Confident83.1Confident40 Ų4068.8 Ų68.821%0.20938%0.375CS..SBendtrans-138.3116.9172.9-174.765.7000108.6M388 P390 V404L384-M388 HydrophobicContact CD1-CB 4.04Å; L384-M388 WeakPolarHBondContact CD2-O 3.38Å; L384-M388 HydrophobicContact CG-CB 4.46Å; L384-P390 HydrophobicContact CD2-CG 4.11Å; L384-V404 HydrophobicContact CD1-CG1 4.41Å
385P74.6Confident82.1Confident88 Ų8869.9 Ų69.957%0.57138%0.383SS*.  trans-58.6144.9178.5-2332.7000111.7G387 M388P385-G387 PolarHBondContact O-N 3.49Å; P385-M388 HydrophobicContact CB-CB 4.46Å; P385-M388 HydrophobicContact CB-CG 3.82Å; P385-M388 HydrophobicContact CG-CG 4.24Å; P385-M388 WeakPolarHBondContact O-CB 3.36Å; P385-M388 PolarHBondContact O-N 2.81Å
386Y72.1Confident80.8Confident240 Ų24070.3 Ų70.394%0.94139%0.388SS*.THydrogen-bonded Turntrans-56.1129.3179.4-179.8-96000111.3M388Y386-M388 VanDerWaalsContact C-N 3.33Å
387G75.3Confident79.7Confident73 Ų7377.5 Ų77.575%0.75343%0.426SS*.THydrogen-bonded Turntrans83.3-0.6-178.900000115.3P385P385-G387 PolarHBondContact O-N 3.49Å
388M82.8Confident79.1Confident112 Ų11280.9 Ų80.955%0.55245%0.445SS*.PPolyproline II helixtrans-91.9144.5173.5-64-65.9-67.200111.2L384 P385 Y386L384-M388 HydrophobicContact CD1-CB 4.04Å; L384-M388 WeakPolarHBondContact CD2-O 3.38Å; L384-M388 HydrophobicContact CG-CB 4.46Å; P385-M388 HydrophobicContact CB-CB 4.46Å; P385-M388 HydrophobicContact CB-CG 3.82Å; P385-M388 HydrophobicContact CG-CG 4.24Å; P385-M388 WeakPolarHBondContact O-CB 3.36Å; P385-M388 PolarHBondContact O-N 2.81Å; Y386-M388 VanDerWaalsContact C-N 3.33Å
389E85.5Confident79Confident153 Ų15377.1 Ų77.172%0.71541%0.414SS*.PPolyproline II helixtrans-98.4147.8171.1-67-177.9174.200110.4V391E389-V391 PolarHBondContact O-N 3.5Å
390P86.7Confident79.2Confident11 Ų1172 Ų727%0.07140%0.395CS..PPolyproline II helixtrans-58125.7172.1-23.134000111.3L370 A373 E374 L384 Y402 V404L370-P390 HydrophobicContact CD1-CB 4.22Å; L370-P390 HydrophobicContact CD1-CG 4.18Å; A373-P390 HydrophobicContact CB-CB 3.83Å; A373-P390 HydrophobicContact CB-CG 3.77Å; E374-P390 HydrophobicContact CG-CG 3.92Å; L384-P390 HydrophobicContact CD2-CG 4.11Å; P390-Y402 HydrophobicContact CB-CD1 3.99Å; P390-Y402 HydrophobicContact CB-CG 4.39Å; P390-V404 HydrophobicContact CB-CG1 4.05Å; P390-V404 HydrophobicContact CG-CG1 3.94Å
391V83.7Confident79.6Confident95 Ų9571.8 Ų71.858%0.57639%0.394SS*.PPolyproline II helixtrans-78.4130.8177.7-179.40000109.5E389 L393E389-V391 PolarHBondContact O-N 3.5Å; V391-L393 HydrophobicContact CG1-CD2 4.4Å; V391-L393 PolarHBondContact O-N 3.08Å
392N86.9Confident80.4Confident57 Ų5770 Ų7031%0.30538%0.379SS..BIsolated β-bridgetrans-77.1115.7168.9-17519.3000109.6S394 A400 V401 Y402N392-S394 VanDerWaalsContact C-N 3.32Å; N392-S394 VanDerWaalsContact CG-OG 3.32Å; N392-S394 PolarHBondContact ND2-OG 2.89Å; N392-S394 PolarHBondContact OD1-N 3.13Å; N392-S394 PolarHBondContact OD1-OG 3.43Å; N392-A400 WeakPolarHBondContact OD1-CA 3.5Å; N392-V401 PolarHBondContact OD1-N 2.91Å; N392-V401 PolarHBondContact OD1-O 3.3Å; N392-Y402 HydrophobicContact CB-CD1 4.1Å; N392-Y402 HydrophobicContact CB-CE1 3.62Å
393L85.6Confident81.1Confident21 Ų2164.8 Ų64.811%0.1135%0.349CS..  trans-81.4-9.7-179.9-56-178.9000113.1I324 E334 V391 V401 K403 L408I324-L393 WeakPolarHBondContact CG1-O 3.48Å; E334-L393 HydrophobicContact CG-CD2 4.19Å; V391-L393 HydrophobicContact CG1-CD2 4.4Å; V391-L393 PolarHBondContact O-N 3.08Å; L393-V401 HydrophobicContact CB-CB 4.33Å; L393-V401 HydrophobicContact CB-CG1 4.3Å; L393-V401 HydrophobicContact CD1-CG1 4.38Å; L393-V401 PolarHBondContact N-O 3.28Å; L393-K403 HydrophobicContact CD1-CB 3.9Å; L393-K403 HydrophobicContact CD1-CD 4.4Å; L393-L408 HydrophobicContact CD1-CD2 4.5Å
394S82.7Confident81.6Confident10 Ų1063.8 Ų63.87%0.0734%0.343CS..  trans-81.7137.1175.869.60000111.6L322 N392 N396 Y399L322-S394 WeakPolarHBondContact O-CB 3.2Å; N392-S394 VanDerWaalsContact C-N 3.32Å; N392-S394 VanDerWaalsContact CG-OG 3.32Å; N392-S394 PolarHBondContact ND2-OG 2.89Å; N392-S394 PolarHBondContact OD1-N 3.13Å; N392-S394 PolarHBondContact OD1-OG 3.43Å; S394-N396 VanDerWaalsContact C-N 3.29Å; S394-N396 PolarHBondContact O-N 2.75Å; S394-N396 PolarHBondContact OG-O 3Å; S394-Y399 WeakPolarHBondContact CB-O 3.48Å; S394-Y399 PolarHBondContact OG-O 3.05Å
395N71.6Confident81.9Confident100 Ų10063.1 Ų63.154%0.53535%0.346SS..SBendtrans-90.515.1175.7-63.2-32.7000113.3G323G323-N395 VanDerWaalsContact O-CB 3.24Å; G323-N395 WeakPolarHBondContact O-CB 3.45Å; G323-N395 PolarHBondContact O-N 3.4Å; G323-N395 PolarHBondContact O-ND2 3.3Å
396N67.6Low82.5Confident36 Ų3660.1 Ų60.119%0.19333%0.326CS..SBendtrans-136.9166.6-18075.847.4000113.7H321 L322 G323 S394 T398 Y399H321-N396 PolarHBondContact O-ND2 3.49Å; H321-N396 PolarHBondContact O-OD1 3.48Å; L322-N396 PolarHBondContact O-ND2 3.3Å; G323-N396 PolarHBondContact N-ND2 2.99Å; G323-N396 VanDerWaalsContact N-ND2 3.13Å; S394-N396 VanDerWaalsContact C-N 3.29Å; S394-N396 PolarHBondContact O-N 2.75Å; S394-N396 PolarHBondContact OG-O 3Å; N396-T398 WeakPolarHBondContact OD1-CB 3.42Å; N396-T398 PolarHBondContact OD1-N 3.5Å; N396-Y399 PolarHBondContact OD1-N 3.5Å
397N68.2Low83.3Confident151 Ų15148.7 Ų48.781%0.80728%0.281SS*.SBendtrans-90.45.5-176-64.8-24.1000113.6
398T76.6Confident84.2Confident75 Ų7545.3 Ų45.346%0.4625%0.246SC..SBendtrans-91.9-43.2-174.9-52.70000111.4I88 N396I88-T398 HydrophobicContact CD1-CG2 3.72Å; N396-T398 WeakPolarHBondContact OD1-CB 3.42Å; N396-T398 PolarHBondContact OD1-N 3.5Å
399Y88.5Confident84.8Confident5 Ų540 Ų402%0.0222%0.22CC..  trans-126152.5177.8-58.6-98.6000108.9I88 H321 L322 S394 N396 S411 P418 I421 T422I88-Y399 HydrophobicContact CD1-CE2 4.16Å; H321-Y399 HydrophobicContact CB-CD2 4.3Å; H321-Y399 HydrophobicContact CB-CE2 3.73Å; H321-Y399 WeakPolarHBondContact O-CD2 3.25Å; L322-Y399 HydrophobicContact CD2-CD1 4.28Å; L322-Y399 HydrophobicContact CD2-CD2 4.46Å; L322-Y399 HydrophobicContact CD2-CG 3.92Å; S394-Y399 WeakPolarHBondContact CB-O 3.48Å; S394-Y399 PolarHBondContact OG-O 3.05Å; N396-Y399 PolarHBondContact OD1-N 3.5Å; Y399-S411 WeakPolarHBondContact CA-OG 3.44Å; Y399-S411 WeakPolarHBondContact CD1-O 3.15Å; Y399-P418 HydrophobicContact CE1-CB 4.08Å; Y399-P418 WeakPolarHBondContact CE1-O 3.34Å; Y399-P418 VanDerWaalsContact OH-CA 3.27Å; Y399-P418 WeakPolarHBondContact OH-CA 3.38Å; Y399-P418 WeakPolarHBondContact OH-CB 3.42Å; Y399-P418 PolarHBondContact OH-O 2.96Å; Y399-I421 HydrophobicContact CE2-CG2 4.43Å; Y399-T422 WeakPolarHBondContact CD1-OG1 3.35Å; Y399-T422 WeakPolarHBondContact CE1-OG1 3.5Å
400A90.9Very high85.2Confident2 Ų232.7 Ų32.72%0.01719%0.186CC..  trans-121.4139.2170.700000109.3A366 N392 Y402 V410 S411A366-A400 HydrophobicContact CB-CB 3.68Å; N392-A400 WeakPolarHBondContact OD1-CA 3.5Å; A400-Y402 HydrophobicContact CB-CD2 4.25Å; A400-Y402 HydrophobicContact CB-CE2 3.48Å; A400-Y402 VanDerWaalsContact CB-CE2 3.48Å; A400-V410 CarbonylContact O-C 3.54Å; A400-V410 VanDerWaalsContact O-CA 3.31Å; A400-V410 WeakPolarHBondContact O-CA 3.42Å; A400-S411 PolarHBondContact N-OG 2.9Å; A400-S411 PolarHBondContact O-N 2.88Å
401V92Very high85.6Confident3 Ų332.4 Ų32.42%0.01818%0.184CC..EExtended strand (participates in β ladder)trans-130.3102179.7178.70000107.4L322 I324 N392 L393 L408 V410L322-V401 HydrophobicContact CD2-CG2 4.2Å; I324-V401 HydrophobicContact CD1-CB 4.31Å; I324-V401 HydrophobicContact CD1-CG1 4.41Å; I324-V401 HydrophobicContact CD1-CG2 4.03Å; N392-V401 PolarHBondContact OD1-N 2.91Å; N392-V401 PolarHBondContact OD1-O 3.3Å; L393-V401 HydrophobicContact CB-CB 4.33Å; L393-V401 HydrophobicContact CB-CG1 4.3Å; L393-V401 HydrophobicContact CD1-CG1 4.38Å; L393-V401 PolarHBondContact N-O 3.28Å; V401-L408 HydrophobicContact CG1-CD2 4.15Å; V401-V410 HydrophobicContact CG1-CG2 4.19Å; V401-V410 HydrophobicContact CG2-CG1 4.09Å; V401-V410 HydrophobicContact CG2-CG2 4.27Å
402Y92.2Very high86.1Confident24 Ų2427.9 Ų27.99%0.09416%0.157CC..EExtended strand (participates in β ladder)trans-99.9133.8178.5-59.7-79.5000110.4A366 A369 L370 A373 P390 N392 A400 L408 C409A366-Y402 WeakPolarHBondContact O-CE2 3.41Å; A369-Y402 HydrophobicContact CB-CD2 3.82Å; A369-Y402 HydrophobicContact CB-CE2 4.01Å; L370-Y402 HydrophobicContact CB-CD2 4.24Å; L370-Y402 HydrophobicContact CB-CE1 4.25Å; L370-Y402 HydrophobicContact CB-CE2 3.68Å; L370-Y402 HydrophobicContact CD1-CD1 3.96Å; L370-Y402 HydrophobicContact CD1-CE1 3.71Å; L370-Y402 HydrophobicContact CG-CE1 4.44Å; A373-Y402 HydrophobicContact CB-CG 4.35Å; P390-Y402 HydrophobicContact CB-CD1 3.99Å; P390-Y402 HydrophobicContact CB-CG 4.39Å; N392-Y402 HydrophobicContact CB-CD1 4.1Å; N392-Y402 HydrophobicContact CB-CE1 3.62Å; A400-Y402 HydrophobicContact CB-CD2 4.25Å; A400-Y402 HydrophobicContact CB-CE2 3.48Å; A400-Y402 VanDerWaalsContact CB-CE2 3.48Å; Y402-L408 CarbonylContact O-C 3.55Å; Y402-L408 WeakPolarHBondContact O-CA 3.45Å; Y402-C409 PolarHBondContact N-O 2.9Å; Y402-C409 PolarHBondContact O-N 2.87Å
403K87.3Confident86.4Confident42 Ų4226.2 Ų26.218%0.18315%0.153CC..EExtended strand (participates in β ladder)trans-105.9132.3175.5173172.8-175.6-86.70110.9E334 F357 L393 L408E334-K403 HydrophobicContact CB-CD 4.33Å; E334-K403 WeakPolarHBondContact OE2-CD 3.43Å; E334-K403 WeakPolarHBondContact OE2-CE 3.26Å; E334-K403 IonicContact OE2-NZ 2.84Å; E334-K403 PolarHBondContact OE2-NZ 3.38Å; F357-K403 HydrophobicContact CE1-CD 3.46Å; F357-K403 VanDerWaalsContact CE1-CD 3.46Å; F357-K403 VanDerWaalsContact CE1-CE 3.42Å; F357-K403 HydrophobicContact CE1-CG 3.81Å; F357-K403 HydrophobicContact CZ-CD 3.65Å; F357-K403 HydrophobicContact CZ-CG 4.46Å; L393-K403 HydrophobicContact CD1-CB 3.9Å; L393-K403 HydrophobicContact CD1-CD 4.4Å; K403-L408 HydrophobicContact CB-CD2 3.97Å; K403-L408 HydrophobicContact CG-CD2 4.45Å
404V87.6Confident86.7Confident2 Ų225.7 Ų25.71%0.01215%0.15CC..EExtended strand (participates in β ladder)trans-140.1110.6168.6-70.60000108.8A373 I376 V383 L384 P390 V407A373-V404 HydrophobicContact CB-CG1 4.05Å; A373-V404 HydrophobicContact CB-CG2 4.32Å; A373-V404 WeakPolarHBondContact O-CG1 3.31Å; I376-V404 HydrophobicContact CB-CG2 4.1Å; I376-V404 HydrophobicContact CG2-CG2 3.83Å; V383-V404 VanDerWaalsContact CG1-C 3.41Å; V383-V404 HydrophobicContact CG1-CB 3.73Å; V383-V404 HydrophobicContact CG1-CG2 4.28Å; L384-V404 HydrophobicContact CD1-CG1 4.41Å; P390-V404 HydrophobicContact CB-CG1 4.05Å; P390-V404 HydrophobicContact CG-CG1 3.94Å; V404-V407 HydrophobicContact CG2-CB 4.07Å; V404-V407 PolarHBondContact N-O 2.95Å; V404-V407 WeakPolarHBondContact O-CB 3.27Å; V404-V407 PolarHBondContact O-N 3.14Å
405G82.7Confident87.3Confident25 Ų2525.2 Ų25.226%0.25815%0.147SC..THydrogen-bonded Turntrans49.7-126.5-174.400000112.2V383 V407V383-G405 PolarHBondContact O-N 2.74Å; G405-V407 PolarHBondContact O-N 2.75Å
406P85.4Confident88.5Confident25 Ų2521.5 Ų21.516%0.16213%0.126CC..THydrogen-bonded Turntrans-81.412.2-179.535.9-36.8000114.6V356 K358 F359V356-P406 VanDerWaalsContact O-CA 3.29Å; V356-P406 WeakPolarHBondContact O-CA 3.41Å; K358-P406 HydrophobicContact CB-CB 4.27Å; K358-P406 HydrophobicContact CG-CB 4.39Å; K358-P406 PolarHBondContact N-O 3.13Å; F359-P406 PolarHBondContact N-O 3.45Å
407V90.6Very high89.9Confident0 Ų019.8 Ų19.80%012%0.117CC..EExtended strand (participates in β ladder)trans-117.8133.6-169.4-172.80000111.2F359 F361 I376 V404 G405 I607F359-V407 HydrophobicContact CB-CG1 4.31Å; F359-V407 HydrophobicContact CB-CG2 4.24Å; F359-V407 HydrophobicContact CD2-CG2 4.13Å; F359-V407 WeakPolarHBondContact O-CA 3.44Å; F361-V407 HydrophobicContact CD2-CG1 3.5Å; F361-V407 HydrophobicContact CE2-CG1 3.72Å; I376-V407 HydrophobicContact CD1-CG1 3.94Å; I376-V407 HydrophobicContact CG2-CB 4.49Å; I376-V407 HydrophobicContact CG2-CG2 4.13Å; V404-V407 HydrophobicContact CG2-CB 4.07Å; V404-V407 PolarHBondContact N-O 2.95Å; V404-V407 WeakPolarHBondContact O-CB 3.27Å; V404-V407 PolarHBondContact O-N 3.14Å; G405-V407 PolarHBondContact O-N 2.75Å; V407-I607 HydrophobicContact CG2-CD1 3.96Å
408L92.6Very high91.2Very high2 Ų212.8 Ų12.81%0.018%0.08CC..EExtended strand (participates in β ladder)trans-105.6128.1165.3-66.1176.5000110.2F357 F359 V360 F361 L393 V401 Y402 K403 V410 L426 L430F357-L408 HydrophobicContact CD1-CD1 3.98Å; F357-L408 HydrophobicContact CD1-CD2 3.81Å; F357-L408 HydrophobicContact CD1-CG 3.56Å; F357-L408 HydrophobicContact CD2-CD1 4.45Å; F357-L408 HydrophobicContact CE1-CD1 4.21Å; F357-L408 HydrophobicContact CE1-CD2 3.41Å; F357-L408 VanDerWaalsContact CE1-CD2 3.41Å; F357-L408 HydrophobicContact CE1-CG 3.74Å; F357-L408 HydrophobicContact CG-CD1 4.1Å; F357-L408 HydrophobicContact CG-CG 4.17Å; F357-L408 HydrophobicContact CZ-CD2 4.02Å; F357-L408 HydrophobicContact CZ-CG 4.49Å; F359-L408 PolarHBondContact O-N 3.41Å; V360-L408 CarbonylContact C-O 3.19Å; V360-L408 WeakPolarHBondContact CA-O 3.48Å; V360-L408 HydrophobicContact CG1-CB 4.37Å; V360-L408 HydrophobicContact CG2-CB 4.31Å; V360-L408 HydrophobicContact CG2-CD1 4.39Å; F361-L408 PolarHBondContact N-O 3.21Å; L393-L408 HydrophobicContact CD1-CD2 4.5Å; V401-L408 HydrophobicContact CG1-CD2 4.15Å; Y402-L408 CarbonylContact O-C 3.55Å; Y402-L408 WeakPolarHBondContact O-CA 3.45Å; K403-L408 HydrophobicContact CB-CD2 3.97Å; K403-L408 HydrophobicContact CG-CD2 4.45Å; L408-V410 HydrophobicContact CB-CG2 4.22Å; L408-L426 HydrophobicContact CD1-CD1 4.22Å; L408-L430 HydrophobicContact CD1-CD2 4.1Å
409C95.3Very high92.2Very high0 Ų09.2 Ų9.20%06%0.058CC..EExtended strand (participates in β ladder)trans-108.6114.1168.8-63.90000109A369 M372 A373 Y402A369-C409 HydrophobicContact CB-CB 4.31Å; A369-C409 VanDerWaalsContact O-CB 3.32Å; A369-C409 WeakPolarHBondContact O-CB 3.36Å; M372-C409 VanDerWaalsContact CG-SG 3.54Å; A373-C409 HydrophobicContact CB-CB 4.06Å; Y402-C409 PolarHBondContact N-O 2.9Å; Y402-C409 PolarHBondContact O-N 2.87Å
410V95.7Very high92.6Very high0 Ų09.2 Ų9.20%06%0.058CC..EExtended strand (participates in β ladder)trans-119.3131.4-168.9-176.60000110.3V360 F361 F362 C363 A400 V401 L408 T422 L426V360-V410 HydrophobicContact CG1-CG2 4.12Å; F361-V410 PolarHBondContact O-N 2.8Å; F362-V410 CarbonylContact C-O 3.53Å; F362-V410 WeakPolarHBondContact CA-O 3.37Å; C363-V410 PolarHBondContact N-O 3.24Å; A400-V410 CarbonylContact O-C 3.54Å; A400-V410 VanDerWaalsContact O-CA 3.31Å; A400-V410 WeakPolarHBondContact O-CA 3.42Å; V401-V410 HydrophobicContact CG1-CG2 4.19Å; V401-V410 HydrophobicContact CG2-CG1 4.09Å; V401-V410 HydrophobicContact CG2-CG2 4.27Å; L408-V410 HydrophobicContact CB-CG2 4.22Å; V410-T422 HydrophobicContact CG1-CG2 3.46Å; V410-T422 VanDerWaalsContact CG1-CG2 3.46Å; V410-L426 HydrophobicContact CG2-CD2 3.92Å
411S94.8Very high92.8Very high5 Ų59.1 Ų9.14%0.0356%0.058CC..EExtended strand (participates in β ladder)trans-81.4127.1169.6720000110.2C363 Y399 A400C363-S411 CarbonylContact O-C 3.6Å; C363-S411 WeakPolarHBondContact O-CA 3.37Å; Y399-S411 WeakPolarHBondContact CA-OG 3.44Å; Y399-S411 WeakPolarHBondContact CD1-O 3.15Å; A400-S411 PolarHBondContact N-OG 2.9Å; A400-S411 PolarHBondContact O-N 2.88Å
412H94.1Very high93Very high0 Ų09 Ų90%06%0.057CC..  trans-109.91.9-178.174.571.5000114F362 C363 P418 C419 L442 E553F362-H412 HydrophobicContact CD1-CB 4.22Å; C363-H412 PolarHBondContact O-CD2 3.26Å; C363-H412 PolarHBondContact O-N 3.45Å; H412-P418 CarbonylContact O-C 3.45Å; H412-P418 WeakPolarHBondContact O-CB 3.25Å; H412-P418 WeakPolarHBondContact O-CG 3.4Å; H412-C419 PolarHBondContact O-N 2.84Å; H412-L442 WeakPolarHBondContact NE2-CD1 3.4Å; H412-E553 IonicContact CE1-OE1 3.72Å
413G91.9Very high93.1Very high22 Ų227.8 Ų7.823%0.2275%0.052CC..  trans74.2-156.5179.600000115.5K364K364-G413 WeakPolarHBondContact O-CA 3.21Å
414L92.6Very high93.5Very high11 Ų115.8 Ų5.86%0.0584%0.044CC..SBendtrans-113.1120.8-174.9-74.3-177.6000111.2R72 F73 I95 K364 P418R72-L414 HydrophobicContact CB-CD1 4.46Å; F73-L414 HydrophobicContact CE2-CD1 4.48Å; F73-L414 HydrophobicContact CZ-CD1 4.11Å; I95-L414 HydrophobicContact CD1-CD1 4Å; K364-L414 HydrophobicContact CD-CD2 4.03Å; K364-L414 HydrophobicContact CG-CD2 3.88Å; L414-P418 VanDerWaalsContact O-CG 3.3Å; L414-P418 WeakPolarHBondContact O-CG 3.08Å
415G95.5Very high93.7Very high0 Ų05.7 Ų5.70%04%0.043CC..SBendtrans88.3-177.3175.400000114.2P418 C419 N514 E553G415-P418 WeakPolarHBondContact O-CD 3.46Å; G415-C419 WeakPolarHBondContact O-CB 3.42Å; G415-N514 VanDerWaalsContact CA-OD1 3.23Å; G415-N514 WeakPolarHBondContact CA-OD1 3.5Å; G415-E553 PolarHBondContact N-OE1 3.5Å; G415-E553 VanDerWaalsContact O-CG 3.28Å; G415-E553 WeakPolarHBondContact O-CG 3.47Å
416E97.3Very high94Very high21 Ų214.6 Ų4.610%0.0983%0.031CC..Hα-helixtrans-68.5-41.4-167.6-65.1178.9161.500112.8C419 L420 N514 T555 C556E416-C419 WeakPolarHBondContact O-CB 3.46Å; E416-C419 PolarHBondContact O-N 3.32Å; E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 WeakPolarHBondContact O-CG 3Å; E416-L420 PolarHBondContact O-N 3.04Å; E416-N514 HydrophobicContact CG-CB 3.81Å; E416-N514 PolarHBondContact N-OD1 2.88Å; E416-T555 PolarHBondContact OE1-OG1 3.1Å; E416-C556 HydrophobicContact CB-CB 4.38Å; E416-C556 HydrophobicContact CG-CB 4.23Å
417A96.6Very high94.3Very high1 Ų13.4 Ų3.41%0.0082%0.023CC..Hα-helixtrans-59.8-55.7-17600000115.2I88 N204 M242 C419 L420 I421I88-A417 HydrophobicContact CG2-CB 4.23Å; N204-A417 WeakPolarHBondContact O-CA 3.46Å; N204-A417 WeakPolarHBondContact O-CB 3.43Å; M242-A417 HydrophobicContact CE-CB 3.4Å; M242-A417 VanDerWaalsContact CE-CB 3.4Å; A417-C419 PolarHBondContact O-N 3.34Å; A417-L420 PolarHBondContact O-N 2.68Å; A417-I421 VanDerWaalsContact O-CG1 3.31Å; A417-I421 WeakPolarHBondContact O-CG1 3.37Å; A417-I421 PolarHBondContact O-N 2.91Å
418P95.4Very high94.2Very high4 Ų45 Ų53%0.0263%0.03CC..Hα-helixtrans-69.7-27.5-17831.1-36.8000110.8I88 Y399 H412 L414 G415 T422I88-P418 HydrophobicContact CB-CB 4.48Å; I88-P418 VanDerWaalsContact O-CD 3.29Å; I88-P418 WeakPolarHBondContact O-CD 3.29Å; Y399-P418 HydrophobicContact CE1-CB 4.08Å; Y399-P418 WeakPolarHBondContact CE1-O 3.34Å; Y399-P418 VanDerWaalsContact OH-CA 3.27Å; Y399-P418 WeakPolarHBondContact OH-CA 3.38Å; Y399-P418 WeakPolarHBondContact OH-CB 3.42Å; Y399-P418 PolarHBondContact OH-O 2.96Å; H412-P418 CarbonylContact O-C 3.45Å; H412-P418 WeakPolarHBondContact O-CB 3.25Å; H412-P418 WeakPolarHBondContact O-CG 3.4Å; L414-P418 VanDerWaalsContact O-CG 3.3Å; L414-P418 WeakPolarHBondContact O-CG 3.08Å; G415-P418 WeakPolarHBondContact O-CD 3.46Å; P418-T422 WeakPolarHBondContact O-CB 3.29Å; P418-T422 PolarHBondContact O-N 3.31Å; P418-T422 PolarHBondContact O-OG1 3.27Å
419C97Very high93.7Very high0 Ų05.1 Ų5.10%03%0.031CC..Hα-helixtrans-63.8-51.9172.2-1720000111.8H412 G415 E416 A417 I421 T422 L423 E553H412-C419 PolarHBondContact O-N 2.84Å; G415-C419 WeakPolarHBondContact O-CB 3.42Å; E416-C419 WeakPolarHBondContact O-CB 3.46Å; E416-C419 PolarHBondContact O-N 3.32Å; A417-C419 PolarHBondContact O-N 3.34Å; C419-I421 PolarHBondContact O-N 3.27Å; C419-T422 PolarHBondContact O-N 2.88Å; C419-L423 WeakPolarHBondContact O-CB 3.05Å; C419-L423 VanDerWaalsContact O-CG 3.29Å; C419-L423 WeakPolarHBondContact O-CG 3.39Å; C419-L423 PolarHBondContact O-N 2.98Å; C419-E553 HydrophobicContact CB-CB 4.1Å; C419-E553 HydrophobicContact CB-CG 4.11Å
420L97.4Very high93.2Very high4 Ų45.3 Ų5.32%0.0213%0.032CC..Hα-helixtrans-62.4-42.7178.6-76.3169000112D205 E416 A417 T422 L423 H424 F471 C556 F560D205-L420 HydrophobicContact CB-CD1 3.92Å; E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 WeakPolarHBondContact O-CG 3Å; E416-L420 PolarHBondContact O-N 3.04Å; A417-L420 PolarHBondContact O-N 2.68Å; L420-T422 VanDerWaalsContact C-N 3.35Å; L420-T422 PolarHBondContact O-N 3.24Å; L420-L423 PolarHBondContact O-N 2.88Å; L420-H424 PolarHBondContact O-CD2 2.99Å; L420-H424 VanDerWaalsContact O-CD2 3.26Å; L420-H424 PolarHBondContact O-N 2.78Å; L420-F471 HydrophobicContact CD1-CE1 4.25Å; L420-F471 HydrophobicContact CD1-CZ 3.97Å; L420-C556 HydrophobicContact CD1-CB 4.16Å; L420-C556 HydrophobicContact CD2-CB 4.03Å; L420-C556 HydrophobicContact CG-CB 4.02Å; L420-F560 HydrophobicContact CD2-CD2 4.38Å
421I95.1Very high92.5Very high0 Ų010.4 Ų10.40%05%0.051CC..Hα-helixtrans-55.6-51.7173.9-72.3165.2000110.4I88 F206 H321 Y399 A417 C419 L423 H424 E425I88-I421 HydrophobicContact CD1-CD1 4.45Å; I88-I421 HydrophobicContact CG2-CD1 3.75Å; F206-I421 HydrophobicContact CB-CD1 3.92Å; F206-I421 HydrophobicContact CB-CG1 3.61Å; F206-I421 HydrophobicContact CG-CG1 4.4Å; H321-I421 HydrophobicContact CB-CG2 3.37Å; H321-I421 VanDerWaalsContact CG-CG2 3.43Å; Y399-I421 HydrophobicContact CE2-CG2 4.43Å; A417-I421 VanDerWaalsContact O-CG1 3.31Å; A417-I421 WeakPolarHBondContact O-CG1 3.37Å; A417-I421 PolarHBondContact O-N 2.91Å; C419-I421 PolarHBondContact O-N 3.27Å; I421-L423 VanDerWaalsContact C-N 3.31Å; I421-L423 PolarHBondContact O-N 2.8Å; I421-H424 PolarHBondContact O-N 2.78Å; I421-E425 WeakPolarHBondContact O-CB 3.19Å; I421-E425 PolarHBondContact O-N 2.91Å
422T95.1Very high91.6Very high0 Ų012 Ų120%06%0.062CC..Hα-helixtrans-59.5-44179.3-49.50000111L322 F362 Y399 V410 P418 C419 L420 L426L322-T422 HydrophobicContact CD2-CG2 4.46Å; F362-T422 HydrophobicContact CD1-CG2 4Å; F362-T422 HydrophobicContact CE1-CG2 3.7Å; Y399-T422 WeakPolarHBondContact CD1-OG1 3.35Å; Y399-T422 WeakPolarHBondContact CE1-OG1 3.5Å; V410-T422 HydrophobicContact CG1-CG2 3.46Å; V410-T422 VanDerWaalsContact CG1-CG2 3.46Å; P418-T422 WeakPolarHBondContact O-CB 3.29Å; P418-T422 PolarHBondContact O-N 3.31Å; P418-T422 PolarHBondContact O-OG1 3.27Å; C419-T422 PolarHBondContact O-N 2.88Å; L420-T422 VanDerWaalsContact C-N 3.35Å; L420-T422 PolarHBondContact O-N 3.24Å; T422-L426 WeakPolarHBondContact O-CB 3.36Å; T422-L426 PolarHBondContact O-N 3.02Å
423L96.2Very high90.5Very high0 Ų012.8 Ų12.80%07%0.069CC..Hα-helixtrans-61.9-46.9179.2-76.1165.8000111.8F362 C419 L420 I421 T427 Y440 F557 F560F362-L423 HydrophobicContact CE1-CD2 3.87Å; F362-L423 HydrophobicContact CE1-CG 4.27Å; F362-L423 HydrophobicContact CE2-CD2 4.38Å; F362-L423 HydrophobicContact CZ-CD2 3.73Å; C419-L423 WeakPolarHBondContact O-CB 3.05Å; C419-L423 VanDerWaalsContact O-CG 3.29Å; C419-L423 WeakPolarHBondContact O-CG 3.39Å; C419-L423 PolarHBondContact O-N 2.98Å; L420-L423 PolarHBondContact O-N 2.88Å; I421-L423 VanDerWaalsContact C-N 3.31Å; I421-L423 PolarHBondContact O-N 2.8Å; L423-T427 WeakPolarHBondContact O-CB 3.39Å; L423-T427 PolarHBondContact O-N 2.97Å; L423-T427 PolarHBondContact O-OG1 2.92Å; L423-Y440 HydrophobicContact CD2-CD2 3.82Å; L423-Y440 HydrophobicContact CD2-CE2 3.78Å; L423-F557 HydrophobicContact CD1-CB 4.48Å; L423-F557 HydrophobicContact CD1-CD2 4.05Å; L423-F557 HydrophobicContact CD2-CD2 3.9Å; L423-F557 HydrophobicContact CD2-CE2 3.95Å; L423-F557 HydrophobicContact CG-CD2 4.42Å; L423-F560 HydrophobicContact CB-CD1 3.88Å; L423-F560 HydrophobicContact CB-CD2 4.09Å; L423-F560 HydrophobicContact CB-CE1 3.85Å; L423-F560 HydrophobicContact CB-CE2 4.05Å; L423-F560 HydrophobicContact CB-CG 4.01Å; L423-F560 HydrophobicContact CB-CZ 3.93Å; L423-F560 HydrophobicContact CD1-CB 3.91Å; L423-F560 HydrophobicContact CD1-CD1 4.14Å; L423-F560 HydrophobicContact CD1-CG 3.93Å; L423-F560 HydrophobicContact CD2-CD1 3.9Å; L423-F560 HydrophobicContact CD2-CE1 4.22Å; L423-F560 HydrophobicContact CG-CD1 4.2Å; L423-F560 HydrophobicContact CG-CG 4.39Å
424H94.4Very high89.2Confident0 Ų013.3 Ų13.30%07%0.069CC..Hα-helixtrans-64.3-51.8177.5-85.3-97.1000111.5Y207 E208 G215 A216 L217 L420 I421 T427 K428 F560Y207-H424 HydrophobicContact CD2-CB 3.35Å; Y207-H424 AromaticContact CD2-CG 3.5Å; Y207-H424 AromaticContact CD2-ND1 3.94Å; Y207-H424 HydrophobicContact CE2-CB 3.41Å; Y207-H424 VanDerWaalsContact CE2-CB 3.41Å; Y207-H424 HydrophobicContact CG-CB 4.15Å; Y207-H424 AromaticContact CG-CG 3.99Å; Y207-H424 AromaticContact CG-ND1 3.94Å; E208-H424 IonicContact OE2-CE1 3.24Å; E208-H424 IonicContact OE2-NE2 3.89Å; G215-H424 WeakPolarHBondContact CA-ND1 3.26Å; A216-H424 HydrophobicContact CB-CB 4.49Å; A216-H424 WeakPolarHBondContact CB-O 3.42Å; A216-H424 PolarHBondContact N-ND1 2.64Å; A216-H424 VanDerWaalsContact N-ND1 3.12Å; L217-H424 PolarHBondContact O-CE1 2.85Å; L420-H424 PolarHBondContact O-CD2 2.99Å; L420-H424 VanDerWaalsContact O-CD2 3.26Å; L420-H424 PolarHBondContact O-N 2.78Å; I421-H424 PolarHBondContact O-N 2.78Å; H424-T427 PolarHBondContact O-N 2.77Å; H424-K428 VanDerWaalsContact O-CG 3.31Å; H424-K428 WeakPolarHBondContact O-CG 3.44Å; H424-K428 PolarHBondContact O-N 3.46Å; H424-F560 AromaticContact CD2-CE2 3.46Å; H424-F560 VanDerWaalsContact CD2-CE2 3.46Å; H424-F560 WeakPolarHBondContact CD2-CE2 3.28Å; H424-F560 AromaticContact CE1-CE2 3.95Å; H424-F560 AromaticContact CG-CE2 3.89Å; H424-F560 AromaticContact NE2-CD2 3.88Å; H424-F560 AromaticContact NE2-CE2 3.49Å; H424-F560 WeakPolarHBondContact NE2-CE2 3.21Å
425E91.8Very high87.6Confident0 Ų019.8 Ų19.80%010%0.104CC..Hα-helixtrans-66-46.3-175.5-71.6-167.7-176.600112.3Y207 L319 H321 L322 I421 T427 K428 L429Y207-E425 HydrophobicContact CE2-CG 4.13Å; Y207-E425 WeakPolarHBondContact OH-CG 3.46Å; Y207-E425 PolarHBondContact OH-OE1 3.48Å; L319-E425 HydrophobicContact CB-CB 4.28Å; L319-E425 HydrophobicContact CB-CG 4.4Å; L319-E425 WeakPolarHBondContact CB-OE2 3.22Å; L319-E425 HydrophobicContact CD1-CB 4.39Å; L319-E425 HydrophobicContact CD2-CB 4.02Å; L319-E425 HydrophobicContact CD2-CG 4.26Å; L319-E425 HydrophobicContact CG-CB 4.46Å; H321-E425 VanDerWaalsContact CB-OE1 3.29Å; H321-E425 WeakPolarHBondContact CB-OE1 3.37Å; H321-E425 IonicContact CE1-OE1 3.84Å; H321-E425 IonicContact CG-OE1 2.96Å; H321-E425 PolarHBondContact N-OE1 2.76Å; H321-E425 PolarHBondContact N-OE2 2.78Å; H321-E425 IonicContact ND1-OE1 2.78Å; H321-E425 PolarHBondContact ND1-OE1 2.92Å; L322-E425 HydrophobicContact CD1-CB 3.69Å; L322-E425 HydrophobicContact CG-CB 4.01Å; L322-E425 WeakPolarHBondContact CG-OE2 3.39Å; L322-E425 PolarHBondContact N-OE2 2.84Å; I421-E425 WeakPolarHBondContact O-CB 3.19Å; I421-E425 PolarHBondContact O-N 2.91Å; E425-T427 PolarHBondContact O-N 2.96Å; E425-K428 WeakPolarHBondContact O-CB 3.28Å; E425-K428 PolarHBondContact O-N 2.83Å; E425-L429 PolarHBondContact O-N 2.94Å
426L90.2Very high86.3Confident1 Ų124.8 Ų24.81%0.00513%0.134CC..Hα-helixtrans-68.9-37.6-179.7-171.562.2000112L322 V360 F362 L408 V410 T422 K428 L429 L430L322-L426 HydrophobicContact CD1-CB 4.32Å; V360-L426 HydrophobicContact CG1-CD2 3.44Å; V360-L426 VanDerWaalsContact CG1-CD2 3.44Å; V360-L426 HydrophobicContact CG2-CD2 4.49Å; F362-L426 HydrophobicContact CE1-CD2 4.18Å; F362-L426 HydrophobicContact CZ-CD2 3.88Å; L408-L426 HydrophobicContact CD1-CD1 4.22Å; V410-L426 HydrophobicContact CG2-CD2 3.92Å; T422-L426 WeakPolarHBondContact O-CB 3.36Å; T422-L426 PolarHBondContact O-N 3.02Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 2.98Å; L426-L429 HydrophobicContact CD1-CD2 4.36Å; L426-L429 PolarHBondContact O-N 3.03Å; L426-L430 HydrophobicContact CD1-CD1 4.03Å; L426-L430 HydrophobicContact CD1-CG 4.18Å; L426-L430 HydrophobicContact CD2-CD1 4.32Å; L426-L430 HydrophobicContact CG-CD1 3.69Å; L426-L430 HydrophobicContact CG-CG 4.27Å; L426-L430 WeakPolarHBondContact O-CB 3.39Å; L426-L430 VanDerWaalsContact O-CG 3.25Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.07Å
427T91.3Very high85.5Confident0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-65.8-37.5175.4-60.20000111.4A216 L423 H424 E425 R431 F437 Y440 F560 I566A216-T427 HydrophobicContact CB-CG2 3.72Å; L423-T427 WeakPolarHBondContact O-CB 3.39Å; L423-T427 PolarHBondContact O-N 2.97Å; L423-T427 PolarHBondContact O-OG1 2.92Å; H424-T427 PolarHBondContact O-N 2.77Å; E425-T427 PolarHBondContact O-N 2.96Å; T427-R431 HydrophobicContact CG2-CG 4.43Å; T427-R431 WeakPolarHBondContact O-CB 3.44Å; T427-R431 VanDerWaalsContact O-CG 3.26Å; T427-R431 WeakPolarHBondContact O-CG 3.24Å; T427-R431 PolarHBondContact O-N 3.28Å; T427-F437 HydrophobicContact CG2-CE2 3.79Å; T427-F437 HydrophobicContact CG2-CZ 3.71Å; T427-Y440 PolarHBondContact OG1-OH 2.84Å; T427-F560 HydrophobicContact CG2-CE1 4.48Å; T427-F560 HydrophobicContact CG2-CZ 4.38Å; T427-I566 HydrophobicContact CG2-CD1 4.35Å
428K87.5Confident85Confident33 Ų3326.9 Ų26.914%0.14314%0.143CC..Hα-helixtrans-60-50.3171.7-76.9175.166.6179.90111D214 A216 F316 L319 H424 E425 L426 R431 S432D214-K428 VanDerWaalsContact O-CD 3.27Å; D214-K428 WeakPolarHBondContact O-CD 3.23Å; D214-K428 VanDerWaalsContact O-CE 3.26Å; D214-K428 WeakPolarHBondContact O-CE 3.46Å; D214-K428 PolarHBondContact O-NZ 3.33Å; A216-K428 HydrophobicContact CB-CG 3.91Å; F316-K428 HydrophobicContact CE1-CB 4.4Å; L319-K428 HydrophobicContact CD2-CB 4.46Å; H424-K428 VanDerWaalsContact O-CG 3.31Å; H424-K428 WeakPolarHBondContact O-CG 3.44Å; H424-K428 PolarHBondContact O-N 3.46Å; E425-K428 WeakPolarHBondContact O-CB 3.28Å; E425-K428 PolarHBondContact O-N 2.83Å; L426-K428 VanDerWaalsContact C-N 3.33Å; L426-K428 PolarHBondContact O-N 2.98Å; K428-R431 PolarHBondContact O-N 3.27Å; K428-S432 PolarHBondContact O-N 3.31Å; K428-S432 VanDerWaalsContact O-N 3.13Å
429L83.2Confident84.9Confident5 Ų529.2 Ų29.23%0.02615%0.152CC..Hα-helixtrans-57.4-52.1179.4-172.958.1000111.7L319 I324 A326 F335 E425 L426 R431 S432 A433L319-L429 HydrophobicContact CD1-CB 3.72Å; L319-L429 HydrophobicContact CD1-CD1 4.19Å; L319-L429 HydrophobicContact CD1-CD2 3.89Å; L319-L429 HydrophobicContact CD1-CG 4.14Å; I324-L429 HydrophobicContact CD1-CD2 4.32Å; I324-L429 HydrophobicContact CG2-CD1 4.48Å; I324-L429 HydrophobicContact CG2-CD2 4.01Å; A326-L429 HydrophobicContact CB-CD1 4.33Å; F335-L429 HydrophobicContact CE1-CD1 4.38Å; F335-L429 HydrophobicContact CE1-CD2 4.29Å; F335-L429 HydrophobicContact CE1-CG 4.01Å; F335-L429 HydrophobicContact CZ-CD1 4.34Å; F335-L429 HydrophobicContact CZ-CD2 3.68Å; F335-L429 HydrophobicContact CZ-CG 3.91Å; E425-L429 PolarHBondContact O-N 2.94Å; L426-L429 HydrophobicContact CD1-CD2 4.36Å; L426-L429 PolarHBondContact O-N 3.03Å; L429-R431 PolarHBondContact O-N 2.77Å; L429-S432 PolarHBondContact O-N 2.78Å; L429-S432 VanDerWaalsContact O-N 3.13Å; L429-S432 PolarHBondContact O-OG 2.96Å; L429-A433 PolarHBondContact O-N 3.23Å
430L84.8Confident85Confident4 Ų429.2 Ų29.22%0.02115%0.152CC..Hα-helixtrans-68.7-33.8-174.9-67.3168.7000112.6F357 V360 L408 L426 S432 A433 S434 F437 P438 Y440F357-L430 HydrophobicContact CB-CD2 4.29Å; F357-L430 HydrophobicContact CD2-CD2 4Å; F357-L430 HydrophobicContact CG-CD2 4.39Å; V360-L430 HydrophobicContact CG2-CD1 3.92Å; L408-L430 HydrophobicContact CD1-CD2 4.1Å; L426-L430 HydrophobicContact CD1-CD1 4.03Å; L426-L430 HydrophobicContact CD1-CG 4.18Å; L426-L430 HydrophobicContact CD2-CD1 4.32Å; L426-L430 HydrophobicContact CG-CD1 3.69Å; L426-L430 HydrophobicContact CG-CG 4.27Å; L426-L430 WeakPolarHBondContact O-CB 3.39Å; L426-L430 VanDerWaalsContact O-CG 3.25Å; L426-L430 WeakPolarHBondContact O-CG 3.42Å; L426-L430 PolarHBondContact O-N 3.07Å; L430-S432 VanDerWaalsContact C-N 3.31Å; L430-A433 PolarHBondContact O-N 3.38Å; L430-S434 PolarHBondContact O-N 3.36Å; L430-F437 HydrophobicContact CB-CE2 4.34Å; L430-P438 HydrophobicContact CD1-CG 3.71Å; L430-Y440 HydrophobicContact CD1-CE1 4.01Å
431R81.3Confident85Confident107 Ų10729 Ų2940%0.40415%0.151SC..Hα-helixtrans-66.2-32.7172.1-77.6178.4179.2165.7-0.7112.9A216 T427 K428 L429 A433 F437A216-R431 PolarHBondContact O-NH1 3.29Å; T427-R431 HydrophobicContact CG2-CG 4.43Å; T427-R431 WeakPolarHBondContact O-CB 3.44Å; T427-R431 VanDerWaalsContact O-CG 3.26Å; T427-R431 WeakPolarHBondContact O-CG 3.24Å; T427-R431 PolarHBondContact O-N 3.28Å; K428-R431 PolarHBondContact O-N 3.27Å; L429-R431 PolarHBondContact O-N 2.77Å; R431-A433 VanDerWaalsContact C-N 3.28Å; R431-F437 HydrophobicContact CG-CD2 4.06Å; R431-F437 HydrophobicContact CG-CE2 3.85Å
432S74.7Confident85.1Confident39 Ų3929 Ų2927%0.27315%0.151SC..Hα-helixtrans-71.4-26.5176.2750000112.6F316 K428 L429 L430F316-S432 VanDerWaalsContact CZ-CB 3.49Å; K428-S432 PolarHBondContact O-N 3.31Å; K428-S432 VanDerWaalsContact O-N 3.13Å; L429-S432 PolarHBondContact O-N 2.78Å; L429-S432 VanDerWaalsContact O-N 3.13Å; L429-S432 PolarHBondContact O-OG 2.96Å; L430-S432 VanDerWaalsContact C-N 3.31Å
433A70.9Confident85.2Confident16 Ų1629.1 Ų29.113%0.13215%0.151CC..Hα-helixtrans-95.9-23.1-17500000114.9F335 T353 L429 L430 R431F335-A433 HydrophobicContact CD1-CB 3.58Å; F335-A433 HydrophobicContact CE1-CB 3.95Å; T353-A433 PolarHBondContact OG1-O 3.35Å; L429-A433 PolarHBondContact O-N 3.23Å; L430-A433 PolarHBondContact O-N 3.38Å; R431-A433 VanDerWaalsContact C-N 3.28Å
434S65.1Low85.2Confident33 Ų3329.5 Ų29.523%0.23116%0.155CC..  trans-148.4146.7-169.8177.90000113.5L430 V436L430-S434 PolarHBondContact O-N 3.36Å; S434-V436 PolarHBondContact OG-N 2.8Å; S434-V436 PolarHBondContact OG-O 3.46Å
435N58Low85.1Confident148 Ų14833 Ų3379%0.79117%0.171SC*.SBendtrans-84.1-22.7170.5-68.6-37.9000113.2
436V69Low85.2Confident105 Ų10533.5 Ų33.564%0.63617%0.174SC*.SBendtrans-101.1121.5177-177.60000108.6S434S434-V436 PolarHBondContact OG-N 2.8Å; S434-V436 PolarHBondContact OG-O 3.46Å
437F79.8Confident85.3Confident58 Ų5834.2 Ų34.225%0.25418%0.179SC..PPolyproline II helixtrans-85.3129.9-174.7-156.8-88.1000111.4T427 L430 R431 Y440 I566T427-F437 HydrophobicContact CG2-CE2 3.79Å; T427-F437 HydrophobicContact CG2-CZ 3.71Å; L430-F437 HydrophobicContact CB-CE2 4.34Å; R431-F437 HydrophobicContact CG-CD2 4.06Å; R431-F437 HydrophobicContact CG-CE2 3.85Å; F437-Y440 HydrophobicContact CE1-CD1 4.12Å; F437-Y440 AromaticContact CE1-CE1 3.62Å; F437-Y440 HydrophobicContact CE1-CE1 3.62Å; F437-Y440 HydrophobicContact CE1-CE2 4.2Å; F437-Y440 AromaticContact CE1-CZ 3.66Å; F437-Y440 AromaticContact CZ-CE1 3.99Å; F437-Y440 HydrophobicContact CZ-CE1 3.99Å; F437-Y440 HydrophobicContact CZ-CE2 4.33Å; F437-Y440 AromaticContact CZ-CZ 3.67Å; F437-Y440 WeakPolarHBondContact CZ-OH 3.25Å; F437-I566 HydrophobicContact CD1-CB 4.16Å; F437-I566 HydrophobicContact CD1-CD1 4.11Å; F437-I566 HydrophobicContact CD1-CG1 3.6Å; F437-I566 HydrophobicContact CD1-CG2 3.76Å; F437-I566 HydrophobicContact CE1-CB 4.03Å; F437-I566 HydrophobicContact CE1-CD1 3.28Å; F437-I566 HydrophobicContact CE1-CG1 3.31Å; F437-I566 HydrophobicContact CE1-CG2 3.56Å; F437-I566 HydrophobicContact CG-CG1 4.48Å; F437-I566 HydrophobicContact CZ-CD1 3.56Å; F437-I566 HydrophobicContact CZ-CG1 3.97Å
438P86.9Confident85.5Confident7 Ų734.2 Ų34.25%0.04518%0.179CC..PPolyproline II helixtrans-70159.3-177.125.5-31.8000113K358 V360 L430 Y440K358-P438 VanDerWaalsContact C-CB 3.48Å; K358-P438 CarbonylContact O-C 3.55Å; K358-P438 WeakPolarHBondContact O-CA 3.31Å; K358-P438 VanDerWaalsContact O-CB 3.31Å; K358-P438 WeakPolarHBondContact O-CB 3.26Å; V360-P438 HydrophobicContact CG2-CB 4.16Å; V360-P438 HydrophobicContact CG2-CG 3.97Å; L430-P438 HydrophobicContact CD1-CG 3.71Å; P438-Y440 HydrophobicContact CG-CE1 4.1Å
439Y94.4Very high85.8Confident54 Ų5432.6 Ų32.621%0.21217%0.172CC..EExtended strand (participates in β ladder)trans-72.9133.2173.1-62.2-82000111K358 F359 V360 F441 M490 K567K358-Y439 WeakPolarHBondContact O-CD2 3.48Å; K358-Y439 PolarHBondContact O-N 3.01Å; F359-Y439 HydrophobicContact CD1-CD2 4.13Å; F359-Y439 AromaticContact CE1-CD2 3.87Å; F359-Y439 HydrophobicContact CE1-CD2 3.87Å; F359-Y439 HydrophobicContact CE1-CE2 4.48Å; V360-Y439 PolarHBondContact N-O 2.51Å; Y439-F441 VanDerWaalsContact CB-CE2 3.41Å; Y439-F441 HydrophobicContact CG-CZ 4.5Å; Y439-M490 HydrophobicContact CD1-CE 3.5Å; Y439-M490 HydrophobicContact CD1-SD 3.52Å; Y439-M490 VanDerWaalsContact CD1-SD 3.52Å; Y439-M490 HydrophobicContact CE1-CE 4.02Å; Y439-M490 HydrophobicContact CE1-SD 3.53Å; Y439-M490 VanDerWaalsContact CE1-SD 3.53Å; Y439-M490 HydrophobicContact CG-CE 4.16Å; Y439-K567 WeakPolarHBondContact CA-O 3.44Å; Y439-K567 HydrophobicContact CD1-CB 3.57Å; Y439-K567 HydrophobicContact CD1-CD 4.23Å; Y439-K567 HydrophobicContact CE1-CB 3.8Å; Y439-K567 HydrophobicContact CE1-CD 3.55Å; Y439-K567 HydrophobicContact CE1-CG 4.33Å
440Y97.1Very high86.2Confident0 Ų034 Ų340%019%0.187CC..EExtended strand (participates in β ladder)trans-104.2129.4179.2-81.414.5000111.7V360 F362 L423 T427 L430 F437 P438 I566 K567 A568 A569V360-Y440 HydrophobicContact CB-CD1 3.66Å; V360-Y440 HydrophobicContact CB-CE1 3.77Å; V360-Y440 HydrophobicContact CG1-CD1 4.39Å; V360-Y440 HydrophobicContact CG1-CE1 4.26Å; V360-Y440 HydrophobicContact CG2-CD1 3.88Å; V360-Y440 HydrophobicContact CG2-CE1 3.58Å; F362-Y440 AromaticContact CE2-CD1 3.97Å; F362-Y440 HydrophobicContact CE2-CD1 3.97Å; F362-Y440 AromaticContact CE2-CD2 3.47Å; F362-Y440 HydrophobicContact CE2-CD2 3.47Å; F362-Y440 VanDerWaalsContact CE2-CD2 3.47Å; F362-Y440 HydrophobicContact CE2-CE1 4.27Å; F362-Y440 AromaticContact CE2-CE2 3.86Å; F362-Y440 HydrophobicContact CE2-CE2 3.86Å; F362-Y440 AromaticContact CE2-CG 3.54Å; F362-Y440 HydrophobicContact CE2-CG 3.54Å; F362-Y440 HydrophobicContact CZ-CD1 4.49Å; F362-Y440 AromaticContact CZ-CD2 3.66Å; F362-Y440 HydrophobicContact CZ-CD2 3.66Å; F362-Y440 HydrophobicContact CZ-CE1 4.37Å; F362-Y440 AromaticContact CZ-CE2 3.56Å; F362-Y440 HydrophobicContact CZ-CE2 3.56Å; F362-Y440 HydrophobicContact CZ-CG 4.14Å; F362-Y440 AromaticContact CZ-CZ 3.93Å; L423-Y440 HydrophobicContact CD2-CD2 3.82Å; L423-Y440 HydrophobicContact CD2-CE2 3.78Å; T427-Y440 PolarHBondContact OG1-OH 2.84Å; L430-Y440 HydrophobicContact CD1-CE1 4.01Å; F437-Y440 HydrophobicContact CE1-CD1 4.12Å; F437-Y440 AromaticContact CE1-CE1 3.62Å; F437-Y440 HydrophobicContact CE1-CE1 3.62Å; F437-Y440 HydrophobicContact CE1-CE2 4.2Å; F437-Y440 AromaticContact CE1-CZ 3.66Å; F437-Y440 AromaticContact CZ-CE1 3.99Å; F437-Y440 HydrophobicContact CZ-CE1 3.99Å; F437-Y440 HydrophobicContact CZ-CE2 4.33Å; F437-Y440 AromaticContact CZ-CZ 3.67Å; F437-Y440 WeakPolarHBondContact CZ-OH 3.25Å; P438-Y440 HydrophobicContact CG-CE1 4.1Å; Y440-I566 HydrophobicContact CD1-CG2 4.09Å; Y440-I566 HydrophobicContact CD2-CD1 4.12Å; Y440-I566 HydrophobicContact CD2-CG2 3.9Å; Y440-I566 HydrophobicContact CE2-CD1 3.86Å; Y440-I566 HydrophobicContact CG-CG2 3.66Å; Y440-K567 PolarHBondContact N-O 3.03Å; Y440-A568 CarbonylContact O-C 3.52Å; Y440-A568 WeakPolarHBondContact O-CA 3.5Å; Y440-A568 VanDerWaalsContact O-CB 3.28Å; Y440-A568 WeakPolarHBondContact O-CB 3.49Å; Y440-A569 PolarHBondContact O-N 3.35Å
441F98.1Very high86.6Confident0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-125.7116.6178.3-58.1-87.6000111F359 V360 F361 F362 Y439 V443 M490 A569 I571 L606 L610F359-F441 AromaticContact CD1-CE2 3.85Å; F359-F441 HydrophobicContact CD1-CE2 3.85Å; F359-F441 HydrophobicContact CD1-CZ 4.43Å; V360-F441 PolarHBondContact O-N 3.38Å; F361-F441 CarbonylContact C-O 3.55Å; F361-F441 WeakPolarHBondContact CA-O 3.32Å; F361-F441 HydrophobicContact CD1-CB 3.58Å; F361-F441 HydrophobicContact CD1-CD2 4.28Å; F361-F441 HydrophobicContact CD1-CG 4.16Å; F361-F441 HydrophobicContact CE1-CB 3.65Å; F361-F441 AromaticContact CE1-CD2 3.81Å; F361-F441 HydrophobicContact CE1-CD2 3.81Å; F361-F441 AromaticContact CE1-CG 3.74Å; F361-F441 HydrophobicContact CE1-CG 3.74Å; F361-F441 HydrophobicContact CE2-CD2 4.36Å; F361-F441 HydrophobicContact CG-CB 4.4Å; F361-F441 AromaticContact CZ-CD2 3.86Å; F361-F441 HydrophobicContact CZ-CD2 3.86Å; F361-F441 HydrophobicContact CZ-CE2 4.37Å; F361-F441 HydrophobicContact CZ-CG 4.24Å; F362-F441 PolarHBondContact N-O 2.56Å; Y439-F441 VanDerWaalsContact CB-CE2 3.41Å; Y439-F441 HydrophobicContact CG-CZ 4.5Å; F441-V443 HydrophobicContact CB-CG1 3.93Å; F441-V443 PolarHBondContact O-N 3.3Å; F441-M490 HydrophobicContact CE1-CE 3.6Å; F441-M490 HydrophobicContact CZ-CE 3.45Å; F441-M490 VanDerWaalsContact CZ-CE 3.45Å; F441-A569 WeakPolarHBondContact CA-O 3.46Å; F441-A569 HydrophobicContact CD1-CB 4.03Å; F441-A569 HydrophobicContact CE1-CB 4.25Å; F441-I571 HydrophobicContact CD1-CD1 4.02Å; F441-L606 HydrophobicContact CD1-CD1 4.38Å; F441-L606 HydrophobicContact CE1-CD1 4.04Å; F441-L610 HydrophobicContact CZ-CD1 3.97Å
442L98.3Very high87.1Confident0 Ų032.8 Ų32.80%019%0.187CC..EExtended strand (participates in β ladder)trans-87.5106.6169.4-179.662.2000108.9F362 H412 R551 E553 F557 A569 V570 I571F362-L442 HydrophobicContact CB-CD1 3.85Å; H412-L442 WeakPolarHBondContact NE2-CD1 3.4Å; L442-R551 VanDerWaalsContact CD1-NH2 3.3Å; L442-R551 PolarHBondContact O-NH1 2.95Å; L442-E553 HydrophobicContact CD2-CB 4.26Å; L442-F557 HydrophobicContact CB-CD1 3.82Å; L442-F557 HydrophobicContact CB-CD2 3.93Å; L442-F557 HydrophobicContact CB-CE1 3.67Å; L442-F557 HydrophobicContact CB-CE2 3.8Å; L442-F557 HydrophobicContact CB-CG 3.94Å; L442-F557 HydrophobicContact CB-CZ 3.66Å; L442-F557 HydrophobicContact CD1-CD2 4.47Å; L442-F557 HydrophobicContact CD2-CB 3.82Å; L442-F557 HydrophobicContact CD2-CD1 4.14Å; L442-F557 HydrophobicContact CD2-CD2 4.23Å; L442-F557 HydrophobicContact CD2-CG 3.81Å; L442-F557 HydrophobicContact CG-CD2 4.4Å; L442-F557 HydrophobicContact CG-CG 4.36Å; L442-A569 PolarHBondContact N-O 3.25Å; L442-V570 HydrophobicContact CB-CB 4.42Å; L442-V570 HydrophobicContact CB-CG1 4.34Å; L442-V570 HydrophobicContact CB-CG2 3.99Å; L442-V570 HydrophobicContact CD2-CG1 4.14Å; L442-V570 HydrophobicContact CD2-CG2 4.03Å; L442-V570 HydrophobicContact CG-CG1 4.33Å; L442-V570 HydrophobicContact CG-CG2 4.49Å; L442-V570 WeakPolarHBondContact O-CA 3.28Å; L442-I571 PolarHBondContact O-N 2.89Å
443V97.4Very high88Confident1 Ų134.1 Ų34.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-118.5137.4-170.3-640000112F361 F362 C363 M372 F441 R551 I571 L599F361-V443 HydrophobicContact CB-CG2 4.18Å; F361-V443 HydrophobicContact CD1-CG1 3.69Å; F361-V443 HydrophobicContact CD1-CG2 4.03Å; F361-V443 HydrophobicContact CE1-CG1 4.15Å; F362-V443 PolarHBondContact O-N 2.74Å; C363-V443 VanDerWaalsContact SG-CG2 3.59Å; M372-V443 HydrophobicContact CE-CB 4.31Å; M372-V443 HydrophobicContact CE-CG2 3.73Å; F441-V443 HydrophobicContact CB-CG1 3.93Å; F441-V443 PolarHBondContact O-N 3.3Å; V443-R551 VanDerWaalsContact C-NH1 3.3Å; V443-R551 PolarHBondContact O-NH2 3.12Å; V443-I571 WeakPolarHBondContact CA-O 3.4Å; V443-I571 HydrophobicContact CG1-CB 4.33Å; V443-L599 HydrophobicContact CB-CD1 4.41Å; V443-L599 HydrophobicContact CB-CD2 4.28Å
444G94.9Very high89Confident8 Ų834.1 Ų34.18%0.08220%0.196CC..EExtended strand (participates in β ladder)trans172170.4179.600000115.9I571 S572 V573 L599G444-I571 PolarHBondContact N-O 3.47Å; G444-S572 WeakPolarHBondContact O-CA 3.33Å; G444-V573 PolarHBondContact O-N 3.46Å; G444-L599 VanDerWaalsContact N-CD2 3.3Å
445K93.5Very high90.6Very high73 Ų7332.8 Ų32.832%0.31719%0.187SC..EExtended strand (participates in β ladder)trans-75.4144.4172.3-66.8178.9-68.5-147.30110.2V573 N592 E596K445-V573 HydrophobicContact CB-CG1 4.37Å; K445-V573 HydrophobicContact CG-CG1 3.75Å; K445-N592 WeakPolarHBondContact CD-OD1 3.24Å; K445-N592 WeakPolarHBondContact CE-OD1 3.15Å; K445-N592 PolarHBondContact NZ-OD1 2.88Å; K445-E596 IonicContact NZ-OE1 3.25Å; K445-E596 PolarHBondContact NZ-OE1 3.08Å
446C94.1Very high92.5Very high12 Ų1225.7 Ų25.78%0.08115%0.149CC..EExtended strand (participates in β ladder)trans-140.8166.6178.270.40000111.7N549 F550 S572 V573 C575C446-N549 HydrophobicContact CB-CB 4.34Å; C446-N549 PolarHBondContact SG-ND2 2.89Å; C446-F550 WeakPolarHBondContact CB-O 3.39Å; C446-S572 VanDerWaalsContact SG-CB 3.52Å; C446-V573 PolarHBondContact N-O 2.88Å; C446-V573 PolarHBondContact SG-O 3.33Å; C446-V573 VanDerWaalsContact SG-O 3.35Å; C446-C575 PolarHBondContact O-N 3.18Å
447T91.6Very high93.9Very high15 Ų1520.7 Ų20.79%0.09212%0.119CC..EExtended strand (participates in β ladder)trans-90.7127.5160.857.70000109.3R522 N549 F550 L576T447-R522 VanDerWaalsContact CG2-NH2 3.33Å; T447-R522 PolarHBondContact OG1-NH2 3.2Å; T447-N549 WeakPolarHBondContact O-CA 3.19Å; T447-N549 WeakPolarHBondContact O-CB 3.42Å; T447-F550 PolarHBondContact O-N 3.07Å; T447-L576 HydrophobicContact CG2-CB 4.13Å; T447-L576 HydrophobicContact CG2-CD1 4.15Å
448G94.2Very high94.8Very high0 Ų018.1 Ų18.10%011%0.107CC..EExtended strand (participates in β ladder)trans-74.8153.8172.700000112.3R548 L576 R578G448-R548 CarbonylContact C-O 3.43Å; G448-R548 WeakPolarHBondContact CA-O 3.42Å; G448-L576 WeakPolarHBondContact CA-O 3.17Å; G448-L576 PolarHBondContact N-O 3.4Å; G448-R578 WeakPolarHBondContact O-CB 3.33Å; G448-R578 WeakPolarHBondContact O-CG 3.45Å; G448-R578 PolarHBondContact O-N 2.87Å
449L94.5Very high95.3Very high0 Ų017.8 Ų17.80%011%0.105CC..SBendtrans-119.5101.1166.8-168.870.5000105.5A451 F539 A542 Q543 V547 R548 F550 R578 L579L449-A451 PolarHBondContact O-N 3.23Å; L449-F539 HydrophobicContact CD1-CB 3.95Å; L449-F539 HydrophobicContact CD1-CD1 4.26Å; L449-F539 HydrophobicContact CD1-CD2 3.56Å; L449-F539 HydrophobicContact CD1-CE2 4.08Å; L449-F539 HydrophobicContact CD1-CG 3.66Å; L449-A542 HydrophobicContact CD2-CB 3.77Å; L449-Q543 HydrophobicContact CD2-CG 4.13Å; L449-Q543 HydrophobicContact CG-CG 4.1Å; L449-Q543 PolarHBondContact O-NE2 2.99Å; L449-V547 HydrophobicContact CD2-CB 4.36Å; L449-V547 HydrophobicContact CD2-CG1 4.05Å; L449-R548 PolarHBondContact N-O 2.61Å; L449-R548 WeakPolarHBondContact O-CA 3.34Å; L449-F550 HydrophobicContact CB-CE2 3.92Å; L449-F550 HydrophobicContact CD1-CE2 3.92Å; L449-F550 HydrophobicContact CD1-CZ 4.04Å; L449-F550 HydrophobicContact CD2-CZ 4.42Å; L449-F550 HydrophobicContact CG-CE2 4.33Å; L449-R578 HydrophobicContact CD1-CB 4.23Å; L449-L579 HydrophobicContact CD1-CD2 3.69Å; L449-L579 HydrophobicContact CD1-CG 4.01Å; L449-L579 HydrophobicContact CG-CD2 4.34Å; L449-L579 HydrophobicContact CG-CG 4.43Å
450G92.2Very high95.5Very high34 Ų3416.9 Ų16.935%0.35111%0.105SC..SBendtrans73.9-0.5-171.700000114.9N577G450-N577 PolarHBondContact N-OD1 3Å
451A93.3Very high95.6Very high5 Ų517.5 Ų17.54%0.04111%0.11CC..PPolyproline II helixtrans-98.9123.5173.900000110.4L449 I457 A574 N577L449-A451 PolarHBondContact O-N 3.23Å; A451-I457 HydrophobicContact CB-CD1 3.71Å; A451-I457 HydrophobicContact CB-CG1 4.31Å; A451-A574 HydrophobicContact CB-CB 4.14Å; A451-N577 WeakPolarHBondContact O-CB 3.47Å
452E92Very high95.6Very high80 Ų8017.5 Ų17.537%0.37411%0.11SC..PPolyproline II helixtrans-70.2149.7178.5-67.3-52.8122.700112.4G454 T455 A574 N577E452-G454 PolarHBondContact O-N 3.4Å; E452-T455 WeakPolarHBondContact O-CB 3.34Å; E452-T455 PolarHBondContact O-N 2.87Å; E452-T455 VanDerWaalsContact O-N 3.07Å; E452-T455 PolarHBondContact O-OG1 3.18Å; E452-A574 WeakPolarHBondContact O-CB 3.5Å; E452-N577 PolarHBondContact OE1-ND2 3.08Å
453P92Very high95.7Very high67 Ų6717.7 Ų17.744%0.43511%0.112SC..THydrogen-bonded Turntrans-49.3139.1173.7-27.335.2000112.9T455 A574 C575P453-T455 VanDerWaalsContact C-N 3.29Å; P453-A574 CarbonylContact C-O 3.52Å; P453-A574 VanDerWaalsContact CA-O 3.26Å; P453-A574 WeakPolarHBondContact CA-O 3.35Å; P453-C575 WeakPolarHBondContact CG-O 3.41Å
454G93.8Very high95.6Very high17 Ų1718.7 Ų18.718%0.17512%0.117CC..THydrogen-bonded Turntrans81.51.8-175.500000114.7E452 A574 N595 L598E452-G454 PolarHBondContact O-N 3.4Å; G454-A574 PolarHBondContact N-O 3.37Å; G454-N595 WeakPolarHBondContact CA-OD1 3.23Å; G454-L598 WeakPolarHBondContact O-CD2 3.38Å
455T96.9Very high95.6Very high4 Ų418.5 Ų18.53%0.02512%0.115CC..  trans-81.8129.8171.7-53.70000110.5E452 P453 K504 V506 A574E452-T455 WeakPolarHBondContact O-CB 3.34Å; E452-T455 PolarHBondContact O-N 2.87Å; E452-T455 VanDerWaalsContact O-N 3.07Å; E452-T455 PolarHBondContact O-OG1 3.18Å; P453-T455 VanDerWaalsContact C-N 3.29Å; T455-K504 HydrophobicContact CG2-CG 4.19Å; T455-K504 WeakPolarHBondContact OG1-CD 3.31Å; T455-K504 WeakPolarHBondContact OG1-CE 3.39Å; T455-V506 HydrophobicContact CG2-CG1 3.95Å; T455-A574 PolarHBondContact O-N 3.15Å
456I98.5Very high95.7Very high0 Ų017.1 Ų17.10%011%0.113CC..EExtended strand (participates in β ladder)trans-79.9130168.9-63.3-67.1000109.8L458 V503 K504 H505 V506 I571 S572 V573 L598 V602I456-L458 HydrophobicContact CG2-CD2 3.78Å; I456-L458 HydrophobicContact CG2-CG 4.25Å; I456-V503 HydrophobicContact CB-CG1 4.36Å; I456-V503 HydrophobicContact CG1-CG1 3.57Å; I456-K504 PolarHBondContact N-O 2.85Å; I456-H505 HydrophobicContact CB-CB 4.01Å; I456-H505 HydrophobicContact CG2-CB 4.41Å; I456-H505 CarbonylContact O-C 3.57Å; I456-H505 WeakPolarHBondContact O-CA 3.5Å; I456-V506 PolarHBondContact O-N 2.92Å; I456-I571 HydrophobicContact CG2-CG2 3.97Å; I456-S572 CarbonylContact C-O 3.57Å; I456-S572 WeakPolarHBondContact CA-O 3.4Å; I456-V573 HydrophobicContact CD1-CB 3.98Å; I456-V573 HydrophobicContact CD1-CG2 4.2Å; I456-L598 HydrophobicContact CD1-CD2 4.36Å; I456-L598 HydrophobicContact CD1-CG 4.19Å; I456-L598 HydrophobicContact CG1-CD2 4.32Å; I456-L598 HydrophobicContact CG1-CG 4.36Å; I456-V602 HydrophobicContact CD1-CG2 4.32Å; I456-V602 HydrophobicContact CG1-CG2 4.14Å
457I98.6Very high95.9Very high0 Ų017.7 Ų17.70%012%0.115CC..EExtended strand (participates in β ladder)trans-113.4119.7-179.8-55.9173.5000107.7A451 V506 R548 N549 S572 A574A451-I457 HydrophobicContact CB-CD1 3.71Å; A451-I457 HydrophobicContact CB-CG1 4.31Å; I457-V506 WeakPolarHBondContact CA-O 3.13Å; I457-V506 HydrophobicContact CB-CG1 4.47Å; I457-V506 HydrophobicContact CG1-CG1 3.93Å; I457-V506 HydrophobicContact CG2-CG1 4.43Å; I457-R548 HydrophobicContact CD1-CB 4.38Å; I457-R548 WeakPolarHBondContact CD1-O 3.48Å; I457-R548 HydrophobicContact CG2-CB 4.03Å; I457-N549 HydrophobicContact CD1-CB 3.5Å; I457-N549 WeakPolarHBondContact CG2-OD1 3.21Å; I457-S572 PolarHBondContact N-O 2.87Å; I457-S572 PolarHBondContact O-N 2.73Å; I457-A574 HydrophobicContact CD1-CB 4.13Å
458L98.6Very high96.1Very high3 Ų322.1 Ų22.12%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-103.9106.4178.5-56.1178.4000107.7I456 T460 V491 A494 A495 V506 K507 G508 I571I456-L458 HydrophobicContact CG2-CD2 3.78Å; I456-L458 HydrophobicContact CG2-CG 4.25Å; L458-T460 PolarHBondContact O-N 3.25Å; L458-V491 HydrophobicContact CB-CG1 4.33Å; L458-A494 HydrophobicContact CD1-CB 4.07Å; L458-A494 HydrophobicContact CD2-CB 3.71Å; L458-A494 HydrophobicContact CG-CB 4.49Å; L458-A495 HydrophobicContact CD1-CB 3.64Å; L458-A495 VanDerWaalsContact CD1-N 3.31Å; L458-V506 PolarHBondContact N-O 3.23Å; L458-K507 HydrophobicContact CB-CG 4.23Å; L458-K507 HydrophobicContact CD1-CG 4.45Å; L458-K507 WeakPolarHBondContact O-CA 3.31Å; L458-G508 PolarHBondContact O-N 3.18Å; L458-G508 VanDerWaalsContact O-N 3.12Å; L458-I571 HydrophobicContact CD2-CB 4.5Å; L458-I571 HydrophobicContact CD2-CG1 4.12Å; L458-I571 HydrophobicContact CD2-CG2 4.01Å
459T98.7Very high96.3Very high1 Ų125.7 Ų25.71%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-68.1124.9-177-54.80000109.7A461 M486 V491 G508 T510 V570T459-A461 VanDerWaalsContact CG2-O 3.23Å; T459-A461 WeakPolarHBondContact CG2-O 3.42Å; T459-M486 HydrophobicContact CG2-CG 4.17Å; T459-M486 VanDerWaalsContact O-CG 3.25Å; T459-M486 WeakPolarHBondContact O-CG 3.16Å; T459-V491 WeakPolarHBondContact O-CG2 3.44Å; T459-G508 CarbonylContact C-O 3.58Å; T459-G508 WeakPolarHBondContact CA-O 3.39Å; T459-T510 WeakPolarHBondContact CG2-OG1 3.48Å; T459-T510 PolarHBondContact OG1-OG1 2.81Å; T459-V570 HydrophobicContact CG2-CB 4.4Å; T459-V570 PolarHBondContact N-O 2.85Å; T459-V570 VanDerWaalsContact N-O 3.14Å; T459-V570 WeakPolarHBondContact OG1-CB 3.45Å; T459-V570 WeakPolarHBondContact OG1-CG1 3.5Å; T459-V570 PolarHBondContact OG1-O 2.78Å
460T98.5Very high96.4Very high34 Ų3427.9 Ų27.921%0.20917%0.165CC..EExtended strand (participates in β ladder)trans-88.6-35.4172.3530000111.8L458 M486 Q488 V491 K507 G508L458-T460 PolarHBondContact O-N 3.25Å; T460-M486 WeakPolarHBondContact O-CB 3.47Å; T460-M486 PolarHBondContact O-N 2.8Å; T460-M486 VanDerWaalsContact O-N 3.14Å; T460-Q488 PolarHBondContact O-NE2 3.43Å; T460-Q488 VanDerWaalsContact O-NE2 3.13Å; T460-V491 HydrophobicContact CG2-CG1 4.15Å; T460-K507 HydrophobicContact CG2-CB 3.92Å; T460-G508 PolarHBondContact N-O 2.81Å; T460-G508 PolarHBondContact OG1-O 2.93Å
461A98.6Very high96.7Very high13 Ų1326.6 Ų26.611%0.10715%0.15CC..EExtended strand (participates in β ladder)trans-158.2161.9170.100000109T459 S484 V485 L509 T510T459-A461 VanDerWaalsContact CG2-O 3.23Å; T459-A461 WeakPolarHBondContact CG2-O 3.42Å; A461-S484 CarbonylContact C-O 3.45Å; A461-S484 WeakPolarHBondContact CA-O 3.46Å; A461-S484 WeakPolarHBondContact CB-O 3.46Å; A461-V485 HydrophobicContact CB-CG1 4.23Å; A461-L509 HydrophobicContact CB-CD2 3.79Å; A461-L509 VanDerWaalsContact O-CA 3.29Å; A461-L509 WeakPolarHBondContact O-CA 3.09Å; A461-L509 WeakPolarHBondContact O-CD2 3.4Å; A461-T510 PolarHBondContact O-N 3.39Å; A461-T510 VanDerWaalsContact O-N 3.12Å
462S98.6Very high96.8Very high0 Ų028.9 Ų28.90%016%0.159CC..EExtended strand (participates in β ladder)trans-105.9145.7172.8-62.60000111S484 T510 S554S462-S484 PolarHBondContact N-O 3.21Å; S462-S484 WeakPolarHBondContact O-CB 3.33Å; S462-T510 CarbonylContact C-O 3.58Å; S462-T510 WeakPolarHBondContact CA-O 3.48Å; S462-S554 WeakPolarHBondContact CB-OG 3.17Å; S462-S554 VanDerWaalsContact OG-C 3.26Å; S462-S554 WeakPolarHBondContact OG-CB 3.41Å; S462-S554 PolarHBondContact OG-O 3Å; S462-S554 VanDerWaalsContact OG-O 3.07Å; S462-S554 PolarHBondContact OG-OG 3.4Å
463V98.5Very high96.9Very high5 Ų525.1 Ų25.13%0.0314%0.142CC..EExtended strand (participates in β ladder)trans-114.1145.2169.1-68.10000109.5L467 K468 P469 L509 T510 L511 G512 V547 T555V463-L467 HydrophobicContact CG2-CD2 4.25Å; V463-K468 CarbonylContact C-O 3.55Å; V463-K468 VanDerWaalsContact CA-O 3.23Å; V463-K468 WeakPolarHBondContact CA-O 3.19Å; V463-P469 HydrophobicContact CG1-CB 4.31Å; V463-L509 HydrophobicContact CG1-CD1 3.98Å; V463-T510 PolarHBondContact N-O 3.04Å; V463-L511 HydrophobicContact CG2-CD1 3.8Å; V463-L511 WeakPolarHBondContact O-CA 3.22Å; V463-G512 PolarHBondContact O-N 3.21Å; V463-V547 HydrophobicContact CG2-CG2 3.75Å; V463-T555 WeakPolarHBondContact O-CG2 3.46Å
464N96.9Very high97.1Very high21 Ų2123.3 Ų23.311%0.11213%0.127CC..EExtended strand (participates in β ladder)trans-76.5176.8175.869.613.9000112V466 L467 K468 Y470 L511 G512 T555N464-V466 PolarHBondContact O-N 3.42Å; N464-V466 WeakPolarHBondContact OD1-CG2 3.4Å; N464-V466 PolarHBondContact OD1-N 2.96Å; N464-V466 VanDerWaalsContact OD1-N 3.1Å; N464-L467 WeakPolarHBondContact O-CA 3.26Å; N464-L467 PolarHBondContact O-N 3.45Å; N464-L467 PolarHBondContact OD1-N 3.27Å; N464-K468 PolarHBondContact N-O 3.19Å; N464-K468 PolarHBondContact OD1-N 3.28Å; N464-K468 PolarHBondContact OD1-O 2.95Å; N464-Y470 PolarHBondContact ND2-O 2.99Å; N464-L511 WeakPolarHBondContact O-CD1 3.33Å; N464-G512 CarbonylContact C-O 3.47Å; N464-G512 WeakPolarHBondContact CA-O 3.47Å; N464-T555 HydrophobicContact CB-CG2 4.26Å
465G94.8Very high97.1Very high5 Ų523 Ų235%0.05212%0.121CC..THydrogen-bonded Turntrans-62.5-6.1-178.400000116.7G167 G512G167-G465 WeakPolarHBondContact CA-O 3.11Å; G167-G465 PolarHBondContact N-O 3.48Å; G465-G512 PolarHBondContact N-O 3.29Å
466V96Very high97.1Very high43 Ų4324.3 Ų24.326%0.26113%0.127SC..THydrogen-bonded Turntrans-108.519.1169.3-59.60000112.8C164 N464 K468C164-V466 HydrophobicContact CB-CG1 4.37Å; N464-V466 PolarHBondContact O-N 3.42Å; N464-V466 WeakPolarHBondContact OD1-CG2 3.4Å; N464-V466 PolarHBondContact OD1-N 2.96Å; N464-V466 VanDerWaalsContact OD1-N 3.1Å; V466-K468 VanDerWaalsContact C-N 3.33Å; V466-K468 HydrophobicContact CG2-CG 3.96Å; V466-K468 PolarHBondContact O-N 3Å
467L96.6Very high96.9Very high24 Ų2425.6 Ų25.613%0.12614%0.141CC..SBendtrans60.933177.8-52.6176.6000114.4V463 N464 L511 F538 R541 A542 L545V463-L467 HydrophobicContact CG2-CD2 4.25Å; N464-L467 WeakPolarHBondContact O-CA 3.26Å; N464-L467 PolarHBondContact O-N 3.45Å; N464-L467 PolarHBondContact OD1-N 3.27Å; L467-L511 HydrophobicContact CD2-CD1 3.7Å; L467-F538 HydrophobicContact CD1-CD2 4.18Å; L467-F538 HydrophobicContact CD1-CE2 3.86Å; L467-F538 HydrophobicContact CD2-CE2 3.82Å; L467-F538 HydrophobicContact CD2-CZ 4.09Å; L467-F538 HydrophobicContact CG-CE2 3.72Å; L467-F538 HydrophobicContact CG-CZ 4.45Å; L467-R541 HydrophobicContact CD1-CB 4.06Å; L467-A542 HydrophobicContact CD1-CB 4.39Å; L467-A542 HydrophobicContact CD2-CB 3.92Å; L467-L545 HydrophobicContact CB-CD1 3.64Å; L467-L545 HydrophobicContact CD1-CD1 3.89Å; L467-L545 HydrophobicContact CG-CD1 4.22Å
468K97.3Very high96.8Very high108 Ų10832.8 Ų32.847%0.4717%0.172SC..  trans-103.8140.6175.4-60.2-63.9-177.5-177.90111.3V463 N464 V466 Y470V463-K468 CarbonylContact C-O 3.55Å; V463-K468 VanDerWaalsContact CA-O 3.23Å; V463-K468 WeakPolarHBondContact CA-O 3.19Å; N464-K468 PolarHBondContact N-O 3.19Å; N464-K468 PolarHBondContact OD1-N 3.28Å; N464-K468 PolarHBondContact OD1-O 2.95Å; V466-K468 VanDerWaalsContact C-N 3.33Å; V466-K468 HydrophobicContact CG2-CG 3.96Å; V466-K468 PolarHBondContact O-N 3Å; K468-Y470 HydrophobicContact CB-CD1 3.84Å; K468-Y470 HydrophobicContact CB-CE1 3.36Å; K468-Y470 HydrophobicContact CB-CE2 4.2Å; K468-Y470 HydrophobicContact CB-CG 4.45Å; K468-Y470 HydrophobicContact CD-CE1 4.48Å; K468-Y470 HydrophobicContact CG-CE1 3.95Å; K468-Y470 PolarHBondContact O-N 3.32Å
469P96.9Very high96.7Very high75 Ų7536.4 Ų36.449%0.48719%0.187SC..SBendtrans-81.441.3-171.735.9-38.6000113.2V463 S484V463-P469 HydrophobicContact CG1-CB 4.31Å; P469-S484 PolarHBondContact O-N 2.9Å
470Y97.8Very high96.5Very high47 Ų4738.3 Ų38.318%0.18420%0.199CC..EExtended strand (participates in β ladder)trans-143.2151.7178.556.6-105.2000111.5N464 K468 E472 K481 Y482N464-Y470 PolarHBondContact ND2-O 2.99Å; K468-Y470 HydrophobicContact CB-CD1 3.84Å; K468-Y470 HydrophobicContact CB-CE1 3.36Å; K468-Y470 HydrophobicContact CB-CE2 4.2Å; K468-Y470 HydrophobicContact CB-CG 4.45Å; K468-Y470 HydrophobicContact CD-CE1 4.48Å; K468-Y470 HydrophobicContact CG-CE1 3.95Å; K468-Y470 PolarHBondContact O-N 3.32Å; Y470-E472 HydrophobicContact CD2-CB 4.1Å; Y470-E472 HydrophobicContact CE2-CB 4Å; Y470-K481 HydrophobicContact CD1-CD 4.29Å; Y470-K481 HydrophobicContact CD2-CB 3.97Å; Y470-K481 HydrophobicContact CD2-CD 3.92Å; Y470-K481 HydrophobicContact CD2-CG 3.7Å; Y470-K481 HydrophobicContact CE1-CD 3.97Å; Y470-K481 HydrophobicContact CE2-CB 4.48Å; Y470-K481 HydrophobicContact CE2-CD 3.59Å; Y470-K481 HydrophobicContact CE2-CG 3.75Å; Y470-K481 HydrophobicContact CG-CB 4.09Å; Y470-K481 HydrophobicContact CG-CD 4.28Å; Y470-K481 HydrophobicContact CG-CG 4.23Å; Y470-K481 WeakPolarHBondContact OH-CE 3.47Å; Y470-K481 PolarHBondContact OH-NZ 3.29Å; Y470-K481 VanDerWaalsContact OH-NZ 3.14Å; Y470-Y482 CarbonylContact C-O 3.51Å; Y470-Y482 WeakPolarHBondContact CA-O 3.43Å; Y470-Y482 VanDerWaalsContact CB-O 3.24Å; Y470-Y482 WeakPolarHBondContact CB-O 3.35Å
471F97.8Very high96.4Very high7 Ų742.1 Ų42.13%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-84124.9162.5178.1-127.4000108.3L420 T473 K481 Y482 S484 C556 A559L420-F471 HydrophobicContact CD1-CE1 4.25Å; L420-F471 HydrophobicContact CD1-CZ 3.97Å; F471-T473 HydrophobicContact CD1-CG2 4.26Å; F471-T473 HydrophobicContact CE1-CG2 3.95Å; F471-K481 WeakPolarHBondContact O-CA 3.47Å; F471-Y482 PolarHBondContact N-O 2.84Å; F471-Y482 PolarHBondContact O-N 3.21Å; F471-S484 PolarHBondContact N-OG 3.46Å; F471-C556 HydrophobicContact CD1-CB 4.2Å; F471-C556 HydrophobicContact CD2-CB 3.98Å; F471-C556 HydrophobicContact CE1-CB 3.97Å; F471-C556 HydrophobicContact CE2-CB 3.78Å; F471-C556 HydrophobicContact CG-CB 4.21Å; F471-C556 HydrophobicContact CZ-CB 3.77Å; F471-A559 HydrophobicContact CB-CB 3.52Å; F471-A559 HydrophobicContact CD1-CB 4Å; F471-A559 HydrophobicContact CG-CB 4.16Å
472E95.1Very high96.4Very high53 Ų5343.1 Ų43.125%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-104130.2175.3-173.8171.2110.400108.6Y470 K479 V480 K481Y470-E472 HydrophobicContact CD2-CB 4.1Å; Y470-E472 HydrophobicContact CE2-CB 4Å; E472-K479 WeakPolarHBondContact OE1-CD 3.18Å; E472-K479 WeakPolarHBondContact OE1-CE 3.41Å; E472-K479 IonicContact OE1-NZ 4Å; E472-K479 PolarHBondContact OE1-NZ 3.29Å; E472-V480 WeakPolarHBondContact CA-O 3.21Å; E472-K481 HydrophobicContact CG-CG 4.33Å; E472-K481 WeakPolarHBondContact OE2-CE 3.39Å; E472-K481 IonicContact OE2-NZ 2.99Å
473T95.2Very high96.3Very high0 Ų045.5 Ų45.50%023%0.233CC..EExtended strand (participates in β ladder)trans-148.2178.5-174.8-178.60000109.2E209 F471 R475 K479 V480 Y482E209-T473 VanDerWaalsContact CD-OG1 3.28Å; E209-T473 VanDerWaalsContact CG-OG1 3.27Å; E209-T473 WeakPolarHBondContact CG-OG1 3.46Å; E209-T473 WeakPolarHBondContact OE1-CB 3.02Å; E209-T473 PolarHBondContact OE1-OG1 2.99Å; F471-T473 HydrophobicContact CD1-CG2 4.26Å; F471-T473 HydrophobicContact CE1-CG2 3.95Å; T473-R475 PolarHBondContact OG1-NH1 3.12Å; T473-K479 WeakPolarHBondContact O-CA 3.29Å; T473-V480 PolarHBondContact N-O 3.13Å; T473-V480 PolarHBondContact O-N 3.22Å; T473-Y482 HydrophobicContact CG2-CD2 3.86Å; T473-Y482 HydrophobicContact CG2-CE2 3.62Å
474F94.5Very high96.3Very high29 Ų2945.3 Ų45.313%0.12723%0.232CC..EExtended strand (participates in β ladder)trans-114.1142.8-178.6-49.3-86.1000112.9L156 E209 K478 K479L156-F474 HydrophobicContact CD1-CE1 4.13Å; L156-F474 HydrophobicContact CD2-CD1 4Å; L156-F474 HydrophobicContact CD2-CE1 4.3Å; L156-F474 HydrophobicContact CG-CD1 3.78Å; L156-F474 HydrophobicContact CG-CE1 3.66Å; E209-F474 WeakPolarHBondContact CA-O 3.41Å; E209-F474 HydrophobicContact CG-CB 3.98Å; E209-F474 HydrophobicContact CG-CD2 4.35Å; E209-F474 WeakPolarHBondContact CG-O 3.49Å; E209-F474 PolarHBondContact OE1-N 2.77Å; F474-K478 CarbonylContact C-O 3.6Å; F474-K478 WeakPolarHBondContact CA-O 3.31Å; F474-K479 HydrophobicContact CD1-CG 3.83Å; F474-K479 HydrophobicContact CE1-CD 4.34Å; F474-K479 HydrophobicContact CE1-CG 3.62Å
475R95.4Very high96.4Very high12 Ų1247 Ų475%0.04524%0.243CC..EExtended strand (participates in β ladder)trans-135.3115.8171.1-59.6-69176.7-9611.2107.7D205 E208 T473 G477 K478 V480D205-R475 IonicContact OD2-CZ 2.69Å; D205-R475 IonicContact OD2-NH1 2.81Å; D205-R475 IonicContact OD2-NH2 3.73Å; D205-R475 PolarHBondContact OD2-NH2 2.67Å; D205-R475 VanDerWaalsContact OD2-NH2 3.14Å; E208-R475 VanDerWaalsContact CB-NH2 3.34Å; E208-R475 VanDerWaalsContact CD-CZ 3.43Å; E208-R475 VanDerWaalsContact CD-NE 3.27Å; E208-R475 IonicContact OE1-CZ 2.77Å; E208-R475 IonicContact OE1-NE 3.52Å; E208-R475 PolarHBondContact OE1-NE 3.29Å; E208-R475 IonicContact OE1-NH2 2.61Å; E208-R475 PolarHBondContact OE1-NH2 3.49Å; E208-R475 IonicContact OE2-CZ 3.74Å; E208-R475 IonicContact OE2-NE 2.66Å; E208-R475 IonicContact OE2-NH2 2.82Å; E208-R475 PolarHBondContact OE2-NH2 3.49Å; T473-R475 PolarHBondContact OG1-NH1 3.12Å; R475-G477 VanDerWaalsContact C-N 3.34Å; R475-G477 PolarHBondContact O-N 2.78Å; R475-K478 PolarHBondContact N-O 3.39Å; R475-K478 WeakPolarHBondContact O-CB 3.43Å; R475-K478 PolarHBondContact O-N 3.04Å; R475-V480 HydrophobicContact CB-CG2 3.87Å; R475-V480 HydrophobicContact CG-CB 4.24Å; R475-V480 HydrophobicContact CG-CG2 3.66Å
476L96.1Very high96.5Very high31 Ų3147.2 Ų47.216%0.16224%0.243CC..THydrogen-bonded Turntrans45.552.5175.5-51.1-174.3000113.6F220 E224 F228F220-L476 HydrophobicContact CB-CD1 3.62Å; F220-L476 HydrophobicContact CB-CG 4.43Å; F220-L476 HydrophobicContact CD1-CD1 4.25Å; F220-L476 HydrophobicContact CD1-CG 4.15Å; F220-L476 HydrophobicContact CD2-CD1 4.09Å; F220-L476 HydrophobicContact CD2-CD2 4.33Å; F220-L476 HydrophobicContact CD2-CG 4.46Å; F220-L476 HydrophobicContact CE2-CD2 4.4Å; F220-L476 HydrophobicContact CG-CD1 3.72Å; F220-L476 HydrophobicContact CG-CD2 4.43Å; F220-L476 HydrophobicContact CG-CG 4.09Å; E224-L476 HydrophobicContact CB-CD1 3.52Å; F228-L476 HydrophobicContact CB-CB 4.09Å; F228-L476 HydrophobicContact CB-CD2 3.77Å; F228-L476 HydrophobicContact CB-CG 4.41Å; F228-L476 HydrophobicContact CD1-CD2 3.95Å; F228-L476 HydrophobicContact CD2-CB 4.25Å; F228-L476 HydrophobicContact CG-CB 4.13Å; F228-L476 HydrophobicContact CG-CD2 3.93Å
477G95.1Very high96.6Very high27 Ų2747.7 Ų47.728%0.27824%0.244SC..THydrogen-bonded Turntrans837.4178.400000115.4G155 L156 R475G155-G477 WeakPolarHBondContact O-CA 3.09Å; G155-G477 PolarHBondContact O-N 3.15Å; L156-G477 WeakPolarHBondContact CD2-O 3.27Å; R475-G477 VanDerWaalsContact C-N 3.34Å; R475-G477 PolarHBondContact O-N 2.78Å
478K96.1Very high96.6Very high151 Ų15151.8 Ų51.866%0.65726%0.263SS*.EExtended strand (participates in β ladder)trans-124.8144.6-178.3-60.3175.6-176.8170.60111.7F474 R475F474-K478 CarbonylContact C-O 3.6Å; F474-K478 WeakPolarHBondContact CA-O 3.31Å; R475-K478 PolarHBondContact N-O 3.39Å; R475-K478 WeakPolarHBondContact O-CB 3.43Å; R475-K478 PolarHBondContact O-N 3.04Å
479K95.3Very high96.5Very high78 Ų7851.3 Ų51.334%0.33926%0.262SS..EExtended strand (participates in β ladder)trans-76.6133.7169.2-79.6-177.7172.2-152.40110.6L156 E162 E472 T473 F474L156-K479 HydrophobicContact CD1-CD 4.29Å; L156-K479 HydrophobicContact CD1-CG 4.17Å; L156-K479 HydrophobicContact CD2-CG 4.17Å; L156-K479 HydrophobicContact CG-CG 4.41Å; E162-K479 IonicContact OE1-NZ 3.5Å; E162-K479 PolarHBondContact OE1-NZ 3.17Å; E162-K479 WeakPolarHBondContact OE2-CE 3.49Å; E162-K479 IonicContact OE2-NZ 3.71Å; E162-K479 PolarHBondContact OE2-NZ 3.45Å; E472-K479 WeakPolarHBondContact OE1-CD 3.18Å; E472-K479 WeakPolarHBondContact OE1-CE 3.41Å; E472-K479 IonicContact OE1-NZ 4Å; E472-K479 PolarHBondContact OE1-NZ 3.29Å; T473-K479 WeakPolarHBondContact O-CA 3.29Å; F474-K479 HydrophobicContact CD1-CG 3.83Å; F474-K479 HydrophobicContact CE1-CD 4.34Å; F474-K479 HydrophobicContact CE1-CG 3.62Å
480V95.8Very high96.5Very high41 Ų4147.7 Ų47.725%0.24824%0.238CC..EExtended strand (participates in β ladder)trans-127.7146.3176.3-173.40000109.3E472 T473 R475 Y482E472-V480 WeakPolarHBondContact CA-O 3.21Å; T473-V480 PolarHBondContact N-O 3.13Å; T473-V480 PolarHBondContact O-N 3.22Å; R475-V480 HydrophobicContact CB-CG2 3.87Å; R475-V480 HydrophobicContact CG-CB 4.24Å; R475-V480 HydrophobicContact CG-CG2 3.66Å; V480-Y482 HydrophobicContact CB-CE2 4.4Å; V480-Y482 HydrophobicContact CG1-CD1 4.34Å; V480-Y482 HydrophobicContact CG1-CD2 4.48Å; V480-Y482 HydrophobicContact CG1-CE1 3.7Å; V480-Y482 HydrophobicContact CG1-CE2 3.86Å; V480-Y482 VanDerWaalsContact CG1-CZ 3.43Å
481K96.9Very high96.5Very high114 Ų11445.7 Ų45.750%0.49623%0.231SC..EExtended strand (participates in β ladder)trans-122.9130.6-178.5-65.5173.8177.31800109.7Y470 F471 E472Y470-K481 HydrophobicContact CD1-CD 4.29Å; Y470-K481 HydrophobicContact CD2-CB 3.97Å; Y470-K481 HydrophobicContact CD2-CD 3.92Å; Y470-K481 HydrophobicContact CD2-CG 3.7Å; Y470-K481 HydrophobicContact CE1-CD 3.97Å; Y470-K481 HydrophobicContact CE2-CB 4.48Å; Y470-K481 HydrophobicContact CE2-CD 3.59Å; Y470-K481 HydrophobicContact CE2-CG 3.75Å; Y470-K481 HydrophobicContact CG-CB 4.09Å; Y470-K481 HydrophobicContact CG-CD 4.28Å; Y470-K481 HydrophobicContact CG-CG 4.23Å; Y470-K481 WeakPolarHBondContact OH-CE 3.47Å; Y470-K481 PolarHBondContact OH-NZ 3.29Å; Y470-K481 VanDerWaalsContact OH-NZ 3.14Å; F471-K481 WeakPolarHBondContact O-CA 3.47Å; E472-K481 HydrophobicContact CG-CG 4.33Å; E472-K481 WeakPolarHBondContact OE2-CE 3.39Å; E472-K481 IonicContact OE2-NZ 2.99Å
482Y97.4Very high96.5Very high35 Ų3547.7 Ų47.714%0.13725%0.249CC..EExtended strand (participates in β ladder)trans-123.6132.9177.8-60.5-62.8000110.2Y470 F471 T473 V480 S484 R563Y470-Y482 CarbonylContact C-O 3.51Å; Y470-Y482 WeakPolarHBondContact CA-O 3.43Å; Y470-Y482 VanDerWaalsContact CB-O 3.24Å; Y470-Y482 WeakPolarHBondContact CB-O 3.35Å; F471-Y482 PolarHBondContact N-O 2.84Å; F471-Y482 PolarHBondContact O-N 3.21Å; T473-Y482 HydrophobicContact CG2-CD2 3.86Å; T473-Y482 HydrophobicContact CG2-CE2 3.62Å; V480-Y482 HydrophobicContact CB-CE2 4.4Å; V480-Y482 HydrophobicContact CG1-CD1 4.34Å; V480-Y482 HydrophobicContact CG1-CD2 4.48Å; V480-Y482 HydrophobicContact CG1-CE1 3.7Å; V480-Y482 HydrophobicContact CG1-CE2 3.86Å; V480-Y482 VanDerWaalsContact CG1-CZ 3.43Å; Y482-S484 PolarHBondContact O-N 3.12Å; Y482-R563 VanDerWaalsContact CD1-CD 3.47Å; Y482-R563 HydrophobicContact CD1-CG 4.08Å; Y482-R563 HydrophobicContact CG-CG 4.37Å; Y482-R563 VanDerWaalsContact CZ-CZ 3.43Å; Y482-R563 PolarHBondContact OH-NH2 3.14Å
483A97.8Very high96.6Very high50 Ų5047.3 Ų47.341%0.41325%0.247SC..EExtended strand (participates in β ladder)trans-61.2125.3179.800000110.8V485 N562A483-V485 VanDerWaalsContact C-N 3.32Å; A483-V485 HydrophobicContact CB-CG2 4.44Å; A483-V485 PolarHBondContact O-N 3.41Å; A483-N562 PolarHBondContact O-ND2 3.44Å
484S98.2Very high96.8Very high0 Ų047.3 Ų47.30%025%0.247CC..  trans-9555.9-179.2-67.60000111.1A461 S462 P469 F471 Y482 T555A461-S484 CarbonylContact C-O 3.45Å; A461-S484 WeakPolarHBondContact CA-O 3.46Å; A461-S484 WeakPolarHBondContact CB-O 3.46Å; S462-S484 PolarHBondContact N-O 3.21Å; S462-S484 WeakPolarHBondContact O-CB 3.33Å; P469-S484 PolarHBondContact O-N 2.9Å; F471-S484 PolarHBondContact N-OG 3.46Å; Y482-S484 PolarHBondContact O-N 3.12Å; S484-T555 PolarHBondContact OG-O 3.36Å
485V97.9Very high96.9Very high58 Ų5846.2 Ų46.235%0.35224%0.243SC..BIsolated β-bridgetrans-97.1145.1180-65.80000111A461 A483 N562A461-V485 HydrophobicContact CB-CG1 4.23Å; A483-V485 VanDerWaalsContact C-N 3.32Å; A483-V485 HydrophobicContact CB-CG2 4.44Å; A483-V485 PolarHBondContact O-N 3.41Å; V485-N562 HydrophobicContact CG2-CB 4.41Å; V485-N562 WeakPolarHBondContact CG2-ND2 3.19Å
486M97.9Very high97.1Very high9 Ų949 Ų494%0.04426%0.257CS..  trans-88.3159.1171.9-70.6-70.893.600111.4T459 T460 Q488 V491 F557 A558 V570T459-M486 HydrophobicContact CG2-CG 4.17Å; T459-M486 VanDerWaalsContact O-CG 3.25Å; T459-M486 WeakPolarHBondContact O-CG 3.16Å; T460-M486 WeakPolarHBondContact O-CB 3.47Å; T460-M486 PolarHBondContact O-N 2.8Å; T460-M486 VanDerWaalsContact O-N 3.14Å; M486-Q488 PolarHBondContact O-N 2.98Å; M486-Q488 PolarHBondContact O-NE2 2.83Å; M486-V491 HydrophobicContact CB-CG2 3.82Å; M486-F557 HydrophobicContact CE-CD1 4.4Å; M486-A558 HydrophobicContact CE-CB 3.09Å; M486-V570 HydrophobicContact CE-CG2 4.2Å; M486-V570 HydrophobicContact SD-CB 4.28Å; M486-V570 HydrophobicContact SD-CG2 3.64Å
487D96.9Very high97.1Very high52 Ų5247.6 Ų47.628%0.27825%0.249SC..  trans-65.4115.9167.7-177.2-63.8000109.4H489 M490 V491D487-H489 VanDerWaalsContact C-N 3.28Å; D487-H489 PolarHBondContact O-N 3.06Å; D487-H489 WeakPolarHBondContact OD1-CA 3.27Å; D487-H489 VanDerWaalsContact OD1-CB 3.23Å; D487-H489 WeakPolarHBondContact OD1-CB 3.39Å; D487-H489 PolarHBondContact OD1-N 3.03Å; D487-M490 HydrophobicContact CB-CB 4.12Å; D487-M490 HydrophobicContact CB-CG 3.88Å; D487-M490 PolarHBondContact O-N 2.7Å; D487-M490 PolarHBondContact OD1-N 2.6Å; D487-V491 WeakPolarHBondContact O-CG2 3.32Å; D487-V491 PolarHBondContact O-N 3.31Å; D487-V491 VanDerWaalsContact O-N 3.08Å
488Q97Very high97.3Very high111 Ų11146.3 Ų46.352%0.51924%0.236SC..Hα-helixtrans-69.5-27.1-174-60.1-55.3-58.900112.7T460 M486 A492T460-Q488 PolarHBondContact O-NE2 3.43Å; T460-Q488 VanDerWaalsContact O-NE2 3.13Å; M486-Q488 PolarHBondContact O-N 2.98Å; M486-Q488 PolarHBondContact O-NE2 2.83Å; Q488-A492 WeakPolarHBondContact O-CB 3.42Å; Q488-A492 PolarHBondContact O-N 3.02Å
489H96.1Very high97.4Very high97 Ų9744.5 Ų44.545%0.44923%0.229SC..Hα-helixtrans-67.4-45.4174176.485.5000109.9D487 V491 A492 Q493D487-H489 VanDerWaalsContact C-N 3.28Å; D487-H489 PolarHBondContact O-N 3.06Å; D487-H489 WeakPolarHBondContact OD1-CA 3.27Å; D487-H489 VanDerWaalsContact OD1-CB 3.23Å; D487-H489 WeakPolarHBondContact OD1-CB 3.39Å; D487-H489 PolarHBondContact OD1-N 3.03Å; H489-V491 VanDerWaalsContact C-N 3.35Å; H489-V491 PolarHBondContact O-N 3.26Å; H489-A492 WeakPolarHBondContact O-CB 3.3Å; H489-A492 PolarHBondContact O-N 3.18Å; H489-A492 VanDerWaalsContact O-N 3.14Å; H489-Q493 PolarHBondContact CE1-NE2 3.42Å; H489-Q493 VanDerWaalsContact CE1-NE2 3.31Å; H489-Q493 WeakPolarHBondContact O-CG 3.39Å; H489-Q493 PolarHBondContact O-N 2.76Å
490M97Very high97.5Very high0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-62.8-40.1177-63.3-54-61.500112.8Y439 F441 D487 A492 Q493 A494 K567 A569 L610Y439-M490 HydrophobicContact CD1-CE 3.5Å; Y439-M490 HydrophobicContact CD1-SD 3.52Å; Y439-M490 VanDerWaalsContact CD1-SD 3.52Å; Y439-M490 HydrophobicContact CE1-CE 4.02Å; Y439-M490 HydrophobicContact CE1-SD 3.53Å; Y439-M490 VanDerWaalsContact CE1-SD 3.53Å; Y439-M490 HydrophobicContact CG-CE 4.16Å; F441-M490 HydrophobicContact CE1-CE 3.6Å; F441-M490 HydrophobicContact CZ-CE 3.45Å; F441-M490 VanDerWaalsContact CZ-CE 3.45Å; D487-M490 HydrophobicContact CB-CB 4.12Å; D487-M490 HydrophobicContact CB-CG 3.88Å; D487-M490 PolarHBondContact O-N 2.7Å; D487-M490 PolarHBondContact OD1-N 2.6Å; M490-A492 VanDerWaalsContact C-N 3.31Å; M490-A492 PolarHBondContact O-N 3.14Å; M490-Q493 PolarHBondContact O-N 2.84Å; M490-A494 WeakPolarHBondContact O-CB 3.45Å; M490-A494 PolarHBondContact O-N 2.54Å; M490-K567 HydrophobicContact CG-CB 3.97Å; M490-K567 HydrophobicContact SD-CB 4.18Å; M490-A569 HydrophobicContact CB-CB 4.13Å; M490-L610 HydrophobicContact CE-CD1 3.58Å
491V98Very high97.6Very high4 Ų447.5 Ų47.52%0.02424%0.242CC..Hα-helixtrans-63.1-39.2174.3175.60000111.4L458 T459 T460 M486 D487 H489 A495 K507L458-V491 HydrophobicContact CB-CG1 4.33Å; T459-V491 WeakPolarHBondContact O-CG2 3.44Å; T460-V491 HydrophobicContact CG2-CG1 4.15Å; M486-V491 HydrophobicContact CB-CG2 3.82Å; D487-V491 WeakPolarHBondContact O-CG2 3.32Å; D487-V491 PolarHBondContact O-N 3.31Å; D487-V491 VanDerWaalsContact O-N 3.08Å; H489-V491 VanDerWaalsContact C-N 3.35Å; H489-V491 PolarHBondContact O-N 3.26Å; V491-A495 WeakPolarHBondContact O-CB 3.44Å; V491-A495 PolarHBondContact O-N 2.69Å; V491-K507 HydrophobicContact CG1-CD 3.86Å; V491-K507 HydrophobicContact CG1-CG 4.17Å
492A97.8Very high97.6Very high50 Ų5051.3 Ų51.341%0.41326%0.258SS..Hα-helixtrans-66.4-43.2176.500000112.1Q488 H489 M490 A494 A495 E496Q488-A492 WeakPolarHBondContact O-CB 3.42Å; Q488-A492 PolarHBondContact O-N 3.02Å; H489-A492 WeakPolarHBondContact O-CB 3.3Å; H489-A492 PolarHBondContact O-N 3.18Å; H489-A492 VanDerWaalsContact O-N 3.14Å; M490-A492 VanDerWaalsContact C-N 3.31Å; M490-A492 PolarHBondContact O-N 3.14Å; A492-A494 PolarHBondContact O-N 2.82Å; A492-A495 PolarHBondContact O-N 3.13Å; A492-E496 PolarHBondContact O-N 2.83Å
493Q97.2Very high97.5Very high45 Ų4550.5 Ų50.521%0.2126%0.257CS..Hα-helixtrans-59.6-46175.2-66.3-60.9-22.400111.4H489 M490 A495 E496 V497 L606 K609 L610H489-Q493 PolarHBondContact CE1-NE2 3.42Å; H489-Q493 VanDerWaalsContact CE1-NE2 3.31Å; H489-Q493 WeakPolarHBondContact O-CG 3.39Å; H489-Q493 PolarHBondContact O-N 2.76Å; M490-Q493 PolarHBondContact O-N 2.84Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 3.19Å; Q493-E496 PolarHBondContact O-N 2.86Å; Q493-V497 WeakPolarHBondContact O-CG2 3.35Å; Q493-V497 PolarHBondContact O-N 3.37Å; Q493-L606 HydrophobicContact CB-CD2 4.09Å; Q493-K609 VanDerWaalsContact OE1-CD 3.27Å; Q493-L610 HydrophobicContact CG-CD2 4.22Å
494A97.5Very high97.5Very high0 Ų054.2 Ų54.20%026%0.264CS..Hα-helixtrans-63.3-36.917800000112.7L458 M490 A492 C498 I571 L606L458-A494 HydrophobicContact CD1-CB 4.07Å; L458-A494 HydrophobicContact CD2-CB 3.71Å; L458-A494 HydrophobicContact CG-CB 4.49Å; M490-A494 WeakPolarHBondContact O-CB 3.45Å; M490-A494 PolarHBondContact O-N 2.54Å; A492-A494 PolarHBondContact O-N 2.82Å; A494-C498 PolarHBondContact O-N 3.4Å; A494-C498 VanDerWaalsContact O-N 3.1Å; A494-C498 PolarHBondContact O-SG 3.46Å; A494-I571 HydrophobicContact CB-CD1 4.35Å; A494-L606 HydrophobicContact CB-CD1 3.84Å; A494-L606 HydrophobicContact CB-CD2 4.04Å; A494-L606 HydrophobicContact CB-CG 4.35Å
495A98.2Very high97.5Very high5 Ų557 Ų574%0.04128%0.277CS..Hα-helixtrans-66.6-39.2175.800000111.6L458 V491 A492 Q493 C498 K499 K507L458-A495 HydrophobicContact CD1-CB 3.64Å; L458-A495 VanDerWaalsContact CD1-N 3.31Å; V491-A495 WeakPolarHBondContact O-CB 3.44Å; V491-A495 PolarHBondContact O-N 2.69Å; A492-A495 PolarHBondContact O-N 3.13Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 3.19Å; A495-C498 PolarHBondContact O-N 2.89Å; A495-K499 WeakPolarHBondContact O-CG 3.34Å; A495-K499 PolarHBondContact O-N 2.87Å; A495-K507 HydrophobicContact CB-CD 4.36Å
496E98Very high97.5Very high70 Ų7056.1 Ų56.133%0.32727%0.271SS..Hα-helixtrans-66.3-45178-161.856.6-145.900111.9A492 Q493 C498 K499 E500A492-E496 PolarHBondContact O-N 2.83Å; Q493-E496 PolarHBondContact O-N 2.86Å; E496-C498 VanDerWaalsContact C-N 3.27Å; E496-C498 PolarHBondContact O-N 3.41Å; E496-K499 WeakPolarHBondContact O-CB 3.44Å; E496-K499 PolarHBondContact O-N 2.85Å; E496-K499 IonicContact OE2-NZ 2.71Å; E496-K499 PolarHBondContact OE2-NZ 2.96Å; E496-E500 WeakPolarHBondContact O-CG 3.33Å; E496-E500 PolarHBondContact O-N 2.8Å
497V97.9Very high97.6Very high2 Ų261.5 Ų61.51%0.01230%0.295CS..Hα-helixtrans-53.9-45.7171.91710000110.9Q493 K499 E500 M501 V602 L606 K609Q493-V497 WeakPolarHBondContact O-CG2 3.35Å; Q493-V497 PolarHBondContact O-N 3.37Å; V497-K499 VanDerWaalsContact C-N 3.32Å; V497-K499 PolarHBondContact O-N 3.06Å; V497-E500 PolarHBondContact O-N 3.2Å; V497-M501 HydrophobicContact CG1-CG 4.35Å; V497-M501 HydrophobicContact CG1-SD 3.41Å; V497-M501 WeakPolarHBondContact CG1-SD 3.21Å; V497-M501 WeakPolarHBondContact O-CB 3.33Å; V497-M501 WeakPolarHBondContact O-CG 3.44Å; V497-M501 PolarHBondContact O-N 3.42Å; V497-V602 HydrophobicContact CG1-CG1 4.39Å; V497-L606 HydrophobicContact CB-CG 4.49Å; V497-L606 HydrophobicContact CG2-CD2 4Å; V497-L606 HydrophobicContact CG2-CG 4.05Å; V497-K609 HydrophobicContact CG2-CB 4.17Å; V497-K609 HydrophobicContact CG2-CD 3.56Å
498C98.2Very high97.6Very high0 Ų059.4 Ų59.40%029%0.285CS..Hα-helixtrans-62.6-36.5178.1-66.50000112.8A494 A495 E496 K502 V503 H505A494-C498 PolarHBondContact O-N 3.4Å; A494-C498 VanDerWaalsContact O-N 3.1Å; A494-C498 PolarHBondContact O-SG 3.46Å; A495-C498 PolarHBondContact O-N 2.89Å; E496-C498 VanDerWaalsContact C-N 3.27Å; E496-C498 PolarHBondContact O-N 3.41Å; C498-K502 PolarHBondContact O-N 3.2Å; C498-K502 VanDerWaalsContact O-N 3.16Å; C498-V503 PolarHBondContact O-N 3.21Å; C498-H505 HydrophobicContact CB-CB 3.78Å; C498-H505 VanDerWaalsContact CB-CG 3.45Å; C498-H505 VanDerWaalsContact CB-ND1 3.34Å; C498-H505 WeakPolarHBondContact CB-ND1 3.4Å
499K98.1Very high97.7Very high114 Ų11455.8 Ų55.850%0.49627%0.269SS..Hα-helixtrans-68.7-47.3175.9-68.5176.9-154.8156.30111.8A495 E496 V497 M501 K502A495-K499 WeakPolarHBondContact O-CG 3.34Å; A495-K499 PolarHBondContact O-N 2.87Å; E496-K499 WeakPolarHBondContact O-CB 3.44Å; E496-K499 PolarHBondContact O-N 2.85Å; E496-K499 IonicContact OE2-NZ 2.71Å; E496-K499 PolarHBondContact OE2-NZ 2.96Å; V497-K499 VanDerWaalsContact C-N 3.32Å; V497-K499 PolarHBondContact O-N 3.06Å; K499-M501 PolarHBondContact O-N 2.93Å; K499-K502 PolarHBondContact O-N 3.08Å
500E97.7Very high97.8Very high112 Ų11251.2 Ų51.252%0.52325%0.248SC..Hα-helixtrans-56.8-42.1178.6-72.3167.5169.600110.4E496 V497 K502 K609E496-E500 WeakPolarHBondContact O-CG 3.33Å; E496-E500 PolarHBondContact O-N 2.8Å; V497-E500 PolarHBondContact O-N 3.2Å; E500-K502 VanDerWaalsContact C-N 3.28Å; E500-K502 PolarHBondContact O-N 3.04Å; E500-K609 IonicContact OE1-NZ 2.98Å; E500-K609 PolarHBondContact OE1-NZ 2.96Å; E500-K609 IonicContact OE2-NZ 2.94Å; E500-K609 PolarHBondContact OE2-NZ 2.9Å
501M96.9Very high97.9Very high69 Ų6951.2 Ų51.234%0.3425%0.248SC..THydrogen-bonded Turntrans-80.4-2.3177-61.9170.269.500114.6V497 K499 V503 N601 V602V497-M501 HydrophobicContact CG1-CG 4.35Å; V497-M501 HydrophobicContact CG1-SD 3.41Å; V497-M501 WeakPolarHBondContact CG1-SD 3.21Å; V497-M501 WeakPolarHBondContact O-CB 3.33Å; V497-M501 WeakPolarHBondContact O-CG 3.44Å; V497-M501 PolarHBondContact O-N 3.42Å; K499-M501 PolarHBondContact O-N 2.93Å; M501-V503 HydrophobicContact CB-CG2 3.79Å; M501-V503 HydrophobicContact CE-CG2 4.41Å; M501-V503 PolarHBondContact O-N 3.36Å; M501-N601 HydrophobicContact CE-CB 3.43Å; M501-N601 VanDerWaalsContact CE-CB 3.43Å; M501-V602 HydrophobicContact CE-CG2 4.3Å; M501-V602 HydrophobicContact SD-CG2 4.25Å
502K97.3Very high97.8Very high195 Ų19551.1 Ų51.185%0.84825%0.248SC*.THydrogen-bonded Turntrans54.535.7-175.5-56.7176.9-178.1175.40113.4C498 K499 E500C498-K502 PolarHBondContact O-N 3.2Å; C498-K502 VanDerWaalsContact O-N 3.16Å; K499-K502 PolarHBondContact O-N 3.08Å; E500-K502 VanDerWaalsContact C-N 3.28Å; E500-K502 PolarHBondContact O-N 3.04Å
503V96.6Very high97.6Very high18 Ų1848.8 Ų48.811%0.10923%0.229CC..  trans-89.2132.5178174.60000110I456 C498 M501 H505 L598I456-V503 HydrophobicContact CB-CG1 4.36Å; I456-V503 HydrophobicContact CG1-CG1 3.57Å; C498-V503 PolarHBondContact O-N 3.21Å; M501-V503 HydrophobicContact CB-CG2 3.79Å; M501-V503 HydrophobicContact CE-CG2 4.41Å; M501-V503 PolarHBondContact O-N 3.36Å; V503-H505 PolarHBondContact O-N 2.99Å; V503-H505 VanDerWaalsContact O-N 3.16Å; V503-H505 PolarHBondContact O-ND1 2.86Å; V503-L598 HydrophobicContact CB-CD1 4.35Å; V503-L598 HydrophobicContact CG1-CD1 3.72Å; V503-L598 HydrophobicContact CG1-CD2 4.07Å; V503-L598 HydrophobicContact CG1-CG 4.13Å; V503-L598 HydrophobicContact CG2-CD1 3.62Å
504K97.4Very high97.6Very high128 Ų12847.4 Ų47.456%0.55722%0.223SC*.  trans-60.6118.4173.5-175.4-180177.1178.50109.3T455 I456T455-K504 HydrophobicContact CG2-CG 4.19Å; T455-K504 WeakPolarHBondContact OG1-CD 3.31Å; T455-K504 WeakPolarHBondContact OG1-CE 3.39Å; I456-K504 PolarHBondContact N-O 2.85Å
505H98.3Very high97.4Very high58 Ų5847.5 Ų47.527%0.26922%0.223SC..EExtended strand (participates in β ladder)trans-140.6160.3-178.667.7-79.7000112.5I456 C498 V503I456-H505 HydrophobicContact CB-CB 4.01Å; I456-H505 HydrophobicContact CG2-CB 4.41Å; I456-H505 CarbonylContact O-C 3.57Å; I456-H505 WeakPolarHBondContact O-CA 3.5Å; C498-H505 HydrophobicContact CB-CB 3.78Å; C498-H505 VanDerWaalsContact CB-CG 3.45Å; C498-H505 VanDerWaalsContact CB-ND1 3.34Å; C498-H505 WeakPolarHBondContact CB-ND1 3.4Å; V503-H505 PolarHBondContact O-N 2.99Å; V503-H505 VanDerWaalsContact O-N 3.16Å; V503-H505 PolarHBondContact O-ND1 2.86Å
506V98.3Very high97.2Very high39 Ų3949 Ų4924%0.23623%0.228CC..EExtended strand (participates in β ladder)trans-144.1137.2175.3640000110.3T455 I456 I457 L458 R548T455-V506 HydrophobicContact CG2-CG1 3.95Å; I456-V506 PolarHBondContact O-N 2.92Å; I457-V506 WeakPolarHBondContact CA-O 3.13Å; I457-V506 HydrophobicContact CB-CG1 4.47Å; I457-V506 HydrophobicContact CG1-CG1 3.93Å; I457-V506 HydrophobicContact CG2-CG1 4.43Å; L458-V506 PolarHBondContact N-O 3.23Å; V506-R548 HydrophobicContact CG1-CB 4.37Å; V506-R548 HydrophobicContact CG1-CG 4.25Å; V506-R548 HydrophobicContact CG2-CG 4.24Å
507K98.3Very high96.9Very high123 Ų12346 Ų4654%0.53521%0.214SC..EExtended strand (participates in β ladder)trans-88.1134.4167-67.2-173.4-65.4179.30109L458 T460 V491 A495L458-K507 HydrophobicContact CB-CG 4.23Å; L458-K507 HydrophobicContact CD1-CG 4.45Å; L458-K507 WeakPolarHBondContact O-CA 3.31Å; T460-K507 HydrophobicContact CG2-CB 3.92Å; V491-K507 HydrophobicContact CG1-CD 3.86Å; V491-K507 HydrophobicContact CG1-CG 4.17Å; A495-K507 HydrophobicContact CB-CD 4.36Å
508G98Very high96.6Very high8 Ų846 Ų468%0.08221%0.213CC..EExtended strand (participates in β ladder)trans-173.9-179.8179.500000113.8L458 T459 T460L458-G508 PolarHBondContact O-N 3.18Å; L458-G508 VanDerWaalsContact O-N 3.12Å; T459-G508 CarbonylContact C-O 3.58Å; T459-G508 WeakPolarHBondContact CA-O 3.39Å; T460-G508 PolarHBondContact N-O 2.81Å; T460-G508 PolarHBondContact OG1-O 2.93Å
509L98.5Very high96.2Very high35 Ų3546 Ų4618%0.18321%0.213CC..EExtended strand (participates in β ladder)trans-77.6149.2174.6-56.5-179.4000110.6A461 V463 L545 G546 V547 R548A461-L509 HydrophobicContact CB-CD2 3.79Å; A461-L509 VanDerWaalsContact O-CA 3.29Å; A461-L509 WeakPolarHBondContact O-CA 3.09Å; A461-L509 WeakPolarHBondContact O-CD2 3.4Å; V463-L509 HydrophobicContact CG1-CD1 3.98Å; L509-L545 HydrophobicContact CD1-CB 4.36Å; L509-L545 WeakPolarHBondContact CD1-O 3.17Å; L509-G546 PolarHBondContact N-O 2.9Å; L509-V547 HydrophobicContact CB-CG2 3.97Å; L509-V547 CarbonylContact O-C 3.39Å; L509-V547 VanDerWaalsContact O-CA 3.28Å; L509-V547 WeakPolarHBondContact O-CA 3.26Å; L509-R548 PolarHBondContact O-N 3.49Å
510T98.6Very high95.9Very high0 Ų040.9 Ų40.90%019%0.191CC..EExtended strand (participates in β ladder)trans-113.4133.8169.8-61.50000109.7T459 A461 S462 V463 N549 R551 S554T459-T510 WeakPolarHBondContact CG2-OG1 3.48Å; T459-T510 PolarHBondContact OG1-OG1 2.81Å; A461-T510 PolarHBondContact O-N 3.39Å; A461-T510 VanDerWaalsContact O-N 3.12Å; S462-T510 CarbonylContact C-O 3.58Å; S462-T510 WeakPolarHBondContact CA-O 3.48Å; V463-T510 PolarHBondContact N-O 3.04Å; T510-N549 WeakPolarHBondContact CB-OD1 3.32Å; T510-N549 WeakPolarHBondContact CG2-OD1 3.49Å; T510-N549 PolarHBondContact OG1-OD1 2.76Å; T510-R551 HydrophobicContact CG2-CB 3.67Å; T510-S554 WeakPolarHBondContact CG2-OG 3.32Å
511L98.1Very high95.4Very high0 Ų035.7 Ų35.70%017%0.168CC..EExtended strand (participates in β ladder)trans-86.4114.9174.7-175.466.2000109.7V463 N464 L467 T513 F538 V547 N549 F550 R551V463-L511 HydrophobicContact CG2-CD1 3.8Å; V463-L511 WeakPolarHBondContact O-CA 3.22Å; N464-L511 WeakPolarHBondContact O-CD1 3.33Å; L467-L511 HydrophobicContact CD2-CD1 3.7Å; L511-T513 HydrophobicContact CD1-CG2 4.42Å; L511-T513 HydrophobicContact CD2-CG2 4.25Å; L511-T513 HydrophobicContact CG-CG2 3.92Å; L511-F538 HydrophobicContact CD2-CE1 3.89Å; L511-F538 HydrophobicContact CD2-CZ 3.74Å; L511-V547 HydrophobicContact CB-CG1 3.85Å; L511-N549 PolarHBondContact N-O 2.96Å; L511-F550 HydrophobicContact CB-CD1 4.25Å; L511-F550 HydrophobicContact CD2-CD1 3.69Å; L511-F550 HydrophobicContact CD2-CE1 3.48Å; L511-F550 VanDerWaalsContact CD2-CE1 3.48Å; L511-F550 HydrophobicContact CD2-CZ 4.44Å; L511-F550 HydrophobicContact CG-CD1 4.28Å; L511-F550 CarbonylContact O-C 3.51Å; L511-F550 WeakPolarHBondContact O-CA 3.46Å; L511-R551 PolarHBondContact O-N 3Å
512G97.2Very high94.9Very high2 Ų232.8 Ų32.82%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-101.8116.3174.200000111.2V463 N464 G465 R551V463-G512 PolarHBondContact O-N 3.21Å; N464-G512 CarbonylContact C-O 3.47Å; N464-G512 WeakPolarHBondContact CA-O 3.47Å; G465-G512 PolarHBondContact N-O 3.29Å; G512-R551 VanDerWaalsContact CA-O 3.27Å; G512-R551 WeakPolarHBondContact CA-O 3.4Å
513T94.2Very high93.8Very high2 Ų228.1 Ų28.11%0.01213%0.131CC..  trans-127.5127.5174.275.70000108.3L511 D515 E520 M552L511-T513 HydrophobicContact CD1-CG2 4.42Å; L511-T513 HydrophobicContact CD2-CG2 4.25Å; L511-T513 HydrophobicContact CG-CG2 3.92Å; T513-D515 PolarHBondContact O-N 3.5Å; T513-D515 PolarHBondContact OG1-O 3.41Å; T513-E520 WeakPolarHBondContact OG1-CG 3.48Å; T513-M552 VanDerWaalsContact O-CA 3.31Å; T513-M552 WeakPolarHBondContact O-CA 3.21Å; T513-M552 VanDerWaalsContact O-CB 3.25Å; T513-M552 WeakPolarHBondContact O-CB 3.23Å; T513-M552 VanDerWaalsContact O-CG 3.24Å; T513-M552 WeakPolarHBondContact O-CG 3.45Å
514N95.8Very high92.5Very high16 Ų1627.5 Ų27.59%0.08613%0.127CC..SBendtrans-77.526.6174.7-156.728.8000112.9G91 N204 G415 E416G91-N514 WeakPolarHBondContact CA-O 3.32Å; G91-N514 WeakPolarHBondContact CA-OD1 3.34Å; N204-N514 PolarHBondContact ND2-ND2 2.95Å; N204-N514 PolarHBondContact OD1-ND2 2.94Å; G415-N514 VanDerWaalsContact CA-OD1 3.23Å; G415-N514 WeakPolarHBondContact CA-OD1 3.5Å; E416-N514 HydrophobicContact CG-CB 3.81Å; E416-N514 PolarHBondContact N-OD1 2.88Å
515D94.4Very high91.2Very high1 Ų122.3 Ų22.31%0.00510%0.104CC..  trans-143.3107.8178.3-175.7-32.1000107.5L94 T513 Y517 E518 G519 E520L94-D515 HydrophobicContact CD1-CB 4.19Å; T513-D515 PolarHBondContact O-N 3.5Å; T513-D515 PolarHBondContact OG1-O 3.41Å; D515-Y517 VanDerWaalsContact C-N 3.31Å; D515-Y517 PolarHBondContact OD1-N 3.05Å; D515-E518 PolarHBondContact OD1-N 2.97Å; D515-G519 VanDerWaalsContact O-CA 3.26Å; D515-G519 WeakPolarHBondContact O-CA 3.25Å; D515-G519 PolarHBondContact O-N 3.38Å; D515-G519 PolarHBondContact OD1-N 3.18Å; D515-E520 PolarHBondContact O-N 2.98Å
516Y93.1Very high89.8Confident36 Ų3620.7 Ų20.714%0.14110%0.099CC..THydrogen-bonded Turntrans-68.6-30.5-177.6177.5-99.7000112.6H14 I95 E520 R522 M552H14-Y516 AromaticContact CE1-CD1 3.74Å; H14-Y516 AromaticContact CE1-CE1 3.45Å; H14-Y516 VanDerWaalsContact CE1-CE1 3.45Å; H14-Y516 WeakPolarHBondContact CE1-CE1 3.37Å; H14-Y516 AromaticContact CE1-CZ 3.65Å; I95-Y516 HydrophobicContact CD1-CG 4.22Å; I95-Y516 HydrophobicContact CG1-CD1 4.29Å; I95-Y516 HydrophobicContact CG1-CG 4.12Å; Y516-E520 WeakPolarHBondContact O-CB 3.39Å; Y516-R522 VanDerWaalsContact CE2-NE 3.26Å; Y516-R522 VanDerWaalsContact CZ-CD 3.46Å; Y516-R522 VanDerWaalsContact CZ-CZ 3.4Å; Y516-R522 WeakPolarHBondContact O-CD 3.47Å; Y516-R522 WeakPolarHBondContact O-CG 3.39Å; Y516-R522 PolarHBondContact O-NE 2.91Å; Y516-R522 VanDerWaalsContact OH-CZ 3.25Å; Y516-R522 PolarHBondContact OH-NE 3.5Å; Y516-R522 PolarHBondContact OH-NH1 3.07Å; Y516-M552 HydrophobicContact CD2-SD 4.49Å
517Y91.6Very high88.9Confident9 Ų919.4 Ų19.44%0.0359%0.09CC..THydrogen-bonded Turntrans-92.3-71.2-175.2-79.2-81.7000111.2H98 E99 D515 G521 R522H98-Y517 HydrophobicContact CB-CD2 3.52Å; H98-Y517 HydrophobicContact CB-CE2 3.49Å; H98-Y517 VanDerWaalsContact CB-CE2 3.49Å; H98-Y517 HydrophobicContact CB-CG 4.08Å; H98-Y517 AromaticContact CD2-CD2 3.38Å; H98-Y517 WeakPolarHBondContact CD2-CD2 3.38Å; H98-Y517 AromaticContact CD2-CG 3.65Å; H98-Y517 AromaticContact CG-CD2 3.6Å; H98-Y517 AromaticContact CG-CG 3.82Å; E99-Y517 HydrophobicContact CG-CE2 4.37Å; E99-Y517 WeakPolarHBondContact CG-OH 3.21Å; E99-Y517 PolarHBondContact OE1-OH 2.87Å; E99-Y517 VanDerWaalsContact OE1-OH 3.13Å; D515-Y517 VanDerWaalsContact C-N 3.31Å; D515-Y517 PolarHBondContact OD1-N 3.05Å; Y517-G521 PolarHBondContact O-N 3.35Å; Y517-R522 HydrophobicContact CD1-CB 4.1Å; Y517-R522 PolarHBondContact O-N 3.31Å
518E91.1Very high87.3Confident0 Ų017.8 Ų17.80%09%0.094CC..THydrogen-bonded Turntrans-73.2-35.9-175.3-61.8-167.2-138.600112.1R165 R253 D515 G521R165-E518 HydrophobicContact CG-CB 4.3Å; R253-E518 IonicContact CZ-OE1 2.81Å; R253-E518 VanDerWaalsContact CZ-OE1 3.24Å; R253-E518 IonicContact CZ-OE2 2.62Å; R253-E518 IonicContact NH1-OE1 3.29Å; R253-E518 PolarHBondContact NH1-OE1 3.17Å; R253-E518 IonicContact NH1-OE2 3Å; R253-E518 VanDerWaalsContact NH2-CD 3.32Å; R253-E518 IonicContact NH2-OE1 3.62Å; R253-E518 PolarHBondContact NH2-OE1 3.37Å; R253-E518 IonicContact NH2-OE2 3.64Å; R253-E518 PolarHBondContact NH2-OE2 3.19Å; R253-E518 VanDerWaalsContact NH2-OE2 3.11Å; D515-E518 PolarHBondContact OD1-N 2.97Å; E518-G521 PolarHBondContact O-N 2.74Å
519G91Very high85.7Confident0 Ų018.2 Ų18.20%010%0.095CC..THydrogen-bonded Turntrans-67.1-46.1179.600000113.1C164 D515 G521C164-G519 WeakPolarHBondContact O-CA 3.43Å; D515-G519 VanDerWaalsContact O-CA 3.26Å; D515-G519 WeakPolarHBondContact O-CA 3.25Å; D515-G519 PolarHBondContact O-N 3.38Å; D515-G519 PolarHBondContact OD1-N 3.18Å; G519-G521 PolarHBondContact O-N 2.71Å
520E91.1Very high84.4Confident7 Ų718 Ų183%0.03310%0.102CC..THydrogen-bonded Turntrans-84.67.5176.7-54.4-170.2168.700113.8T513 D515 Y516 R522 F550 R578T513-E520 WeakPolarHBondContact OG1-CG 3.48Å; D515-E520 PolarHBondContact O-N 2.98Å; Y516-E520 WeakPolarHBondContact O-CB 3.39Å; E520-R522 HydrophobicContact CB-CG 4.31Å; E520-R522 PolarHBondContact O-N 3.37Å; E520-R522 IonicContact OE2-CZ 3.73Å; E520-R522 VanDerWaalsContact OE2-CZ 3.31Å; E520-R522 IonicContact OE2-NE 3.9Å; E520-R522 PolarHBondContact OE2-NE 2.92Å; E520-R522 IonicContact OE2-NH2 3.82Å; E520-R522 PolarHBondContact OE2-NH2 3.41Å; E520-F550 HydrophobicContact CB-CD1 3.84Å; E520-F550 HydrophobicContact CB-CE1 4.15Å; E520-F550 HydrophobicContact CG-CB 4.28Å; E520-F550 HydrophobicContact CG-CD1 3.82Å; E520-F550 HydrophobicContact CG-CG 4.35Å; E520-R578 PolarHBondContact O-NH1 3.34Å; E520-R578 PolarHBondContact O-NH2 3.25Å
521G88.4Confident83.6Confident4 Ų421.4 Ų21.44%0.04112%0.123CC..THydrogen-bonded Turntrans60.631.9-18000000113.4L166 Y517 E518 G519 K535 R578L166-G521 VanDerWaalsContact CD2-CA 3.49Å; Y517-G521 PolarHBondContact O-N 3.35Å; E518-G521 PolarHBondContact O-N 2.74Å; G519-G521 PolarHBondContact O-N 2.71Å; G521-K535 VanDerWaalsContact O-CD 3.31Å; G521-K535 WeakPolarHBondContact O-CD 3.42Å; G521-K535 WeakPolarHBondContact O-CE 3.41Å; G521-K535 PolarHBondContact O-NZ 3.06Å; G521-R578 PolarHBondContact O-NH2 2.84Å
522R86.3Confident82.9Confident8 Ų826.7 Ų26.73%0.0315%0.151CC..PPolyproline II helixtrans-78.5147.1169.8-58.2-177.4-175.4-92.52.9108.8T447 Y516 Y517 E520 S524 D583T447-R522 VanDerWaalsContact CG2-NH2 3.33Å; T447-R522 PolarHBondContact OG1-NH2 3.2Å; Y516-R522 VanDerWaalsContact CE2-NE 3.26Å; Y516-R522 VanDerWaalsContact CZ-CD 3.46Å; Y516-R522 VanDerWaalsContact CZ-CZ 3.4Å; Y516-R522 WeakPolarHBondContact O-CD 3.47Å; Y516-R522 WeakPolarHBondContact O-CG 3.39Å; Y516-R522 PolarHBondContact O-NE 2.91Å; Y516-R522 VanDerWaalsContact OH-CZ 3.25Å; Y516-R522 PolarHBondContact OH-NE 3.5Å; Y516-R522 PolarHBondContact OH-NH1 3.07Å; Y517-R522 HydrophobicContact CD1-CB 4.1Å; Y517-R522 PolarHBondContact O-N 3.31Å; E520-R522 HydrophobicContact CB-CG 4.31Å; E520-R522 PolarHBondContact O-N 3.37Å; E520-R522 IonicContact OE2-CZ 3.73Å; E520-R522 VanDerWaalsContact OE2-CZ 3.31Å; E520-R522 IonicContact OE2-NE 3.9Å; E520-R522 PolarHBondContact OE2-NE 2.92Å; E520-R522 IonicContact OE2-NH2 3.82Å; E520-R522 PolarHBondContact OE2-NH2 3.41Å; R522-S524 PolarHBondContact O-N 3.14Å; R522-D583 IonicContact CZ-OD1 3.2Å; R522-D583 IonicContact NH1-OD1 3.52Å; R522-D583 PolarHBondContact NH1-OD1 3.44Å
523R74.7Confident82.4Confident97 Ų9734 Ų3437%0.36618%0.184SC..PPolyproline II helixtrans-74.3117.6174.3-163.7173.9-173.9164.5-0.6107.6
524S69.3Low82.1Confident4 Ų437.7 Ų37.73%0.02820%0.204CC..PPolyproline II helixtrans-104121.1155.9-168.30000106.8H98 R522 T526H98-S524 WeakPolarHBondContact ND1-CB 3.47Å; H98-S524 PolarHBondContact ND1-OG 3.27Å; R522-S524 PolarHBondContact O-N 3.14Å; S524-T526 PolarHBondContact O-N 2.86Å; S524-T526 PolarHBondContact OG-OG1 3.48Å
525E69Low81.9Confident19 Ų1938.7 Ų38.79%0.08921%0.208CC..THydrogen-bonded Turntrans-67.3-12.2175.7-59.1102.5174.600111.6I4 K102I4-E525 HydrophobicContact CB-CB 4.19Å; I4-E525 HydrophobicContact CD1-CB 3.49Å; I4-E525 VanDerWaalsContact CD1-CB 3.49Å; I4-E525 WeakPolarHBondContact CD1-O 3.1Å; I4-E525 HydrophobicContact CG1-CB 3.66Å; I4-E525 WeakPolarHBondContact CG1-O 3.44Å; I4-E525 HydrophobicContact CG2-CB 3.75Å; I4-E525 HydrophobicContact CG2-CG 4.04Å; K102-E525 VanDerWaalsContact CE-OE2 3.25Å; K102-E525 WeakPolarHBondContact CE-OE2 3.37Å; K102-E525 IonicContact NZ-OE2 2.88Å; K102-E525 PolarHBondContact NZ-OE2 3.38Å
526T68Low81.7Confident25 Ų2546.8 Ų46.815%0.15324%0.238CC..THydrogen-bonded Turntrans-73.1-37.5-178.668.10000113.5H98 T101 K102 S524H98-T526 PolarHBondContact ND1-OG1 3.07Å; T101-T526 HydrophobicContact CG2-CG2 3.71Å; K102-T526 HydrophobicContact CB-CG2 4.35Å; K102-T526 HydrophobicContact CG-CG2 3.46Å; K102-T526 VanDerWaalsContact CG-CG2 3.46Å; S524-T526 PolarHBondContact O-N 2.86Å; S524-T526 PolarHBondContact OG-OG1 3.48Å
527L79.6Confident81.6Confident11 Ų1147.7 Ų47.76%0.05825%0.25CC..SBendtrans-133.7137.4-176.8-64.5176.2000109.6F250 R253 A254 C529F250-L527 HydrophobicContact CD2-CD1 3.54Å; F250-L527 HydrophobicContact CE2-CD1 3.53Å; F250-L527 HydrophobicContact CE2-CG 4.3Å; F250-L527 HydrophobicContact CG-CD1 4.31Å; F250-L527 HydrophobicContact CZ-CD1 4.28Å; R253-L527 HydrophobicContact CB-CD2 3.83Å; A254-L527 HydrophobicContact CB-CD2 4.32Å; L527-C529 PolarHBondContact O-N 2.72Å
528C65.3Low81.8Confident89 Ų8947.2 Ų47.260%0.60125%0.248SC*.  trans-65.1107.1-179.5-174.50000111.2R165R165-C528 PolarHBondContact NH1-O 3.4Å
529C64.6Low82Confident18 Ų1847.5 Ų47.512%0.12225%0.249CC..  trans-88.61.7-175.956.10000114.4L166 L527L166-C529 WeakPolarHBondContact CD1-O 3.47Å; L527-C529 PolarHBondContact O-N 2.72Å
530G71Confident82.1Confident31 Ų3152 Ų5232%0.3227%0.27SS..  trans105.9174.3-176.100000113.8
531T81.6Confident82.4Confident71 Ų7157.5 Ų57.544%0.43629%0.291SS..  trans-79.6157.6179.163.50000111.8E533 N534 K535T531-E533 PolarHBondContact O-N 3.12Å; T531-N534 PolarHBondContact O-N 2.88Å; T531-N534 PolarHBondContact OG1-N 2.99Å; T531-N534 VanDerWaalsContact OG1-N 3.14Å; T531-N534 PolarHBondContact OG1-ND2 3Å; T531-K535 PolarHBondContact O-N 2.67Å
532N83.1Confident82.8Confident111 Ų11157.4 Ų57.459%0.59429%0.289SS*.Hα-helixtrans-57.7-33.1172.1-78.8-14.7000112.1K535 R536N532-K535 PolarHBondContact O-N 3.3Å; N532-R536 WeakPolarHBondContact O-CB 3.18Å; N532-R536 PolarHBondContact O-N 3.17Å
533E87.6Confident83.3Confident154 Ų15459.1 Ų59.172%0.7230%0.298SS*.Hα-helixtrans-64.5-48175.2-67168-176.700112T531 K535 R536 S537T531-E533 PolarHBondContact O-N 3.12Å; E533-K535 VanDerWaalsContact C-N 3.27Å; E533-K535 PolarHBondContact O-N 2.91Å; E533-R536 PolarHBondContact O-N 2.77Å; E533-S537 WeakPolarHBondContact O-CB 2.89Å; E533-S537 PolarHBondContact O-N 2.8Å
534N88.5Confident84.3Confident80 Ų8060.7 Ų60.743%0.42832%0.317SS..Hα-helixtrans-60.8-39.8176.5-76-22.9000111.4L166 T531 F538L166-N534 HydrophobicContact CD1-CB 3.84Å; T531-N534 PolarHBondContact O-N 2.88Å; T531-N534 PolarHBondContact OG1-N 2.99Å; T531-N534 VanDerWaalsContact OG1-N 3.14Å; T531-N534 PolarHBondContact OG1-ND2 3Å; N534-F538 WeakPolarHBondContact O-CB 3.41Å; N534-F538 PolarHBondContact O-N 2.81Å
535K89.9Confident85.6Confident37 Ų3764.8 Ų64.816%0.16134%0.339CS..Hα-helixtrans-62.3-49.9175.4179-175.5175.3176.50111.3L166 G521 T531 N532 E533 F538 F539L166-K535 HydrophobicContact CD1-CB 4.34Å; L166-K535 HydrophobicContact CD2-CB 4.16Å; L166-K535 HydrophobicContact CD2-CG 4.32Å; G521-K535 VanDerWaalsContact O-CD 3.31Å; G521-K535 WeakPolarHBondContact O-CD 3.42Å; G521-K535 WeakPolarHBondContact O-CE 3.41Å; G521-K535 PolarHBondContact O-NZ 3.06Å; T531-K535 PolarHBondContact O-N 2.67Å; N532-K535 PolarHBondContact O-N 3.3Å; E533-K535 VanDerWaalsContact C-N 3.27Å; E533-K535 PolarHBondContact O-N 2.91Å; K535-F538 PolarHBondContact O-N 3.39Å; K535-F539 HydrophobicContact CD-CE2 4.45Å; K535-F539 HydrophobicContact CD-CZ 4.43Å; K535-F539 VanDerWaalsContact CE-CE2 3.43Å; K535-F539 HydrophobicContact CG-CD2 4.47Å; K535-F539 HydrophobicContact CG-CE1 4.23Å; K535-F539 HydrophobicContact CG-CE2 4.17Å; K535-F539 HydrophobicContact CG-CZ 4.04Å; K535-F539 WeakPolarHBondContact O-CG 3.48Å; K535-F539 PolarHBondContact O-N 3.34Å
536R90.2Very high87Confident172 Ų17264.8 Ų64.865%0.64934%0.343SS*.Hα-helixtrans-59.8-49.1179.3-178.3175.8177.6163.53.8111.4N532 E533 F538 F539 E540N532-R536 WeakPolarHBondContact O-CB 3.18Å; N532-R536 PolarHBondContact O-N 3.17Å; E533-R536 PolarHBondContact O-N 2.77Å; R536-F538 VanDerWaalsContact C-N 3.31Å; R536-F538 PolarHBondContact O-N 2.96Å; R536-F539 PolarHBondContact O-N 2.86Å; R536-F539 VanDerWaalsContact O-N 3.15Å; R536-E540 HydrophobicContact CG-CG 4.43Å; R536-E540 VanDerWaalsContact CG-OE1 3.32Å; R536-E540 WeakPolarHBondContact CG-OE1 3.38Å; R536-E540 IonicContact CZ-OE1 3.81Å; R536-E540 IonicContact NE-OE1 2.77Å; R536-E540 PolarHBondContact NE-OE1 2.91Å; R536-E540 IonicContact NH2-OE1 2.89Å; R536-E540 WeakPolarHBondContact O-CG 3.36Å; R536-E540 PolarHBondContact O-N 2.83Å
537S92.9Very high88.5Confident54 Ų5463.6 Ų63.638%0.37834%0.336SS..Hα-helixtrans-58.4-41.6176.8177.90000112.3E533 R541E533-S537 WeakPolarHBondContact O-CB 2.89Å; E533-S537 PolarHBondContact O-N 2.8Å; S537-R541 WeakPolarHBondContact O-CG 3.4Å; S537-R541 PolarHBondContact O-N 3.11Å
538F94.2Very high89.3Confident0 Ų066.3 Ų66.30%035%0.345CS..Hα-helixtrans-63.3-44.9175.3175.7-118.9000112.3L166 L467 L511 N534 K535 R536 R541 A542L166-F538 VanDerWaalsContact C-CD2 3.42Å; L166-F538 HydrophobicContact CB-CB 4.28Å; L166-F538 HydrophobicContact CB-CD1 4.46Å; L166-F538 HydrophobicContact CB-CG 4.35Å; L166-F538 HydrophobicContact CD2-CD1 4.02Å; L467-F538 HydrophobicContact CD1-CD2 4.18Å; L467-F538 HydrophobicContact CD1-CE2 3.86Å; L467-F538 HydrophobicContact CD2-CE2 3.82Å; L467-F538 HydrophobicContact CD2-CZ 4.09Å; L467-F538 HydrophobicContact CG-CE2 3.72Å; L467-F538 HydrophobicContact CG-CZ 4.45Å; L511-F538 HydrophobicContact CD2-CE1 3.89Å; L511-F538 HydrophobicContact CD2-CZ 3.74Å; N534-F538 WeakPolarHBondContact O-CB 3.41Å; N534-F538 PolarHBondContact O-N 2.81Å; K535-F538 PolarHBondContact O-N 3.39Å; R536-F538 VanDerWaalsContact C-N 3.31Å; R536-F538 PolarHBondContact O-N 2.96Å; F538-R541 PolarHBondContact O-N 3.34Å; F538-A542 WeakPolarHBondContact O-CB 3.28Å; F538-A542 PolarHBondContact O-N 3.47Å
539F95Very high90.9Very high6 Ų662 Ų623%0.02632%0.317CS..Hα-helixtrans-65.1-39.6178.5-77.411.8000112.4L449 K535 R536 A542 Q543 F550 R578 L579L449-F539 HydrophobicContact CD1-CB 3.95Å; L449-F539 HydrophobicContact CD1-CD1 4.26Å; L449-F539 HydrophobicContact CD1-CD2 3.56Å; L449-F539 HydrophobicContact CD1-CE2 4.08Å; L449-F539 HydrophobicContact CD1-CG 3.66Å; K535-F539 HydrophobicContact CD-CE2 4.45Å; K535-F539 HydrophobicContact CD-CZ 4.43Å; K535-F539 VanDerWaalsContact CE-CE2 3.43Å; K535-F539 HydrophobicContact CG-CD2 4.47Å; K535-F539 HydrophobicContact CG-CE1 4.23Å; K535-F539 HydrophobicContact CG-CE2 4.17Å; K535-F539 HydrophobicContact CG-CZ 4.04Å; K535-F539 WeakPolarHBondContact O-CG 3.48Å; K535-F539 PolarHBondContact O-N 3.34Å; R536-F539 PolarHBondContact O-N 2.86Å; R536-F539 VanDerWaalsContact O-N 3.15Å; F539-A542 PolarHBondContact O-N 3.44Å; F539-Q543 WeakPolarHBondContact O-CG 3.13Å; F539-Q543 PolarHBondContact O-N 2.98Å; F539-F550 HydrophobicContact CD1-CZ 4.19Å; F539-F550 HydrophobicContact CE1-CE1 4.06Å; F539-F550 AromaticContact CE1-CZ 3.59Å; F539-F550 HydrophobicContact CE1-CZ 3.59Å; F539-F550 HydrophobicContact CE2-CZ 4.45Å; F539-F550 HydrophobicContact CZ-CE1 4.44Å; F539-F550 AromaticContact CZ-CZ 3.74Å; F539-F550 HydrophobicContact CZ-CZ 3.74Å; F539-R578 HydrophobicContact CE2-CB 3.89Å; F539-L579 HydrophobicContact CB-CD2 4.08Å; F539-L579 HydrophobicContact CD2-CD2 4.25Å
540E94.5Very high92.4Very high93 Ų9361.4 Ų61.444%0.43531%0.312SS..Hα-helixtrans-62-47.3174.4-74.1168.7-18000111.1R536 A542 Q543 V544R536-E540 HydrophobicContact CG-CG 4.43Å; R536-E540 VanDerWaalsContact CG-OE1 3.32Å; R536-E540 WeakPolarHBondContact CG-OE1 3.38Å; R536-E540 IonicContact CZ-OE1 3.81Å; R536-E540 IonicContact NE-OE1 2.77Å; R536-E540 PolarHBondContact NE-OE1 2.91Å; R536-E540 IonicContact NH2-OE1 2.89Å; R536-E540 WeakPolarHBondContact O-CG 3.36Å; R536-E540 PolarHBondContact O-N 2.83Å; E540-A542 VanDerWaalsContact C-N 3.33Å; E540-A542 PolarHBondContact O-N 2.96Å; E540-Q543 WeakPolarHBondContact O-CB 3.06Å; E540-Q543 PolarHBondContact O-N 2.87Å; E540-V544 WeakPolarHBondContact O-CG2 3.44Å; E540-V544 PolarHBondContact O-N 3.47Å
541R96.1Very high93.6Very high124 Ų12460.5 Ų60.547%0.46830%0.299SS..Hα-helixtrans-60.3-42174.6-70.8-172.5-58.3-175.84.6112.4L467 S537 F538 V544 L545L467-R541 HydrophobicContact CD1-CB 4.06Å; S537-R541 WeakPolarHBondContact O-CG 3.4Å; S537-R541 PolarHBondContact O-N 3.11Å; F538-R541 PolarHBondContact O-N 3.34Å; R541-V544 PolarHBondContact O-N 3.49Å; R541-L545 WeakPolarHBondContact O-CG 3.13Å; R541-L545 PolarHBondContact O-N 3.39Å; R541-L545 VanDerWaalsContact O-N 3.13Å
542A97.4Very high94.3Very high1 Ų157.2 Ų57.21%0.00828%0.279CS..Hα-helixtrans-62.9-42.217600000111.6L449 L467 F538 F539 E540 L545 G546 V547L449-A542 HydrophobicContact CD2-CB 3.77Å; L467-A542 HydrophobicContact CD1-CB 4.39Å; L467-A542 HydrophobicContact CD2-CB 3.92Å; F538-A542 WeakPolarHBondContact O-CB 3.28Å; F538-A542 PolarHBondContact O-N 3.47Å; F539-A542 PolarHBondContact O-N 3.44Å; E540-A542 VanDerWaalsContact C-N 3.33Å; E540-A542 PolarHBondContact O-N 2.96Å; A542-L545 PolarHBondContact O-N 3.23Å; A542-G546 PolarHBondContact O-N 3.01Å; A542-V547 HydrophobicContact CB-CB 4.02Å; A542-V547 HydrophobicContact CB-CG1 4.44Å; A542-V547 HydrophobicContact CB-CG2 4.03Å; A542-V547 WeakPolarHBondContact O-CB 3.47Å; A542-V547 WeakPolarHBondContact O-CG2 3.09Å; A542-V547 PolarHBondContact O-N 2.77Å
543Q96.1Very high94.9Very high45 Ų4552 Ų5221%0.2125%0.251CS..Hα-helixtrans-60.6-45.2175-80.1-64.2-7400112.8L449 F539 E540 L545 G546 V547 R548 L579L449-Q543 HydrophobicContact CD2-CG 4.13Å; L449-Q543 HydrophobicContact CG-CG 4.1Å; L449-Q543 PolarHBondContact O-NE2 2.99Å; F539-Q543 WeakPolarHBondContact O-CG 3.13Å; F539-Q543 PolarHBondContact O-N 2.98Å; E540-Q543 WeakPolarHBondContact O-CB 3.06Å; E540-Q543 PolarHBondContact O-N 2.87Å; Q543-L545 PolarHBondContact O-N 3.48Å; Q543-G546 WeakPolarHBondContact O-CA 3.45Å; Q543-G546 PolarHBondContact O-N 2.99Å; Q543-V547 PolarHBondContact NE2-O 3.25Å; Q543-R548 PolarHBondContact O-NH1 3.41Å; Q543-L579 HydrophobicContact CG-CD1 3.99Å; Q543-L579 HydrophobicContact CG-CD2 4.45Å
544V96.7Very high95.4Very high129 Ų12944.7 Ų44.778%0.78222%0.216SC*.Hα-helixtrans-58.9-37.7177.4169.30000111.1E540 R541 G546E540-V544 WeakPolarHBondContact O-CG2 3.44Å; E540-V544 PolarHBondContact O-N 3.47Å; R541-V544 PolarHBondContact O-N 3.49Å; V544-G546 PolarHBondContact O-N 2.91Å
545L97.2Very high95.9Very high91 Ų9140.9 Ų40.948%0.47620%0.196SC..THydrogen-bonded Turntrans-72.4-8.5174.4-69.3175.8000114.1L467 L509 R541 A542 Q543L467-L545 HydrophobicContact CB-CD1 3.64Å; L467-L545 HydrophobicContact CD1-CD1 3.89Å; L467-L545 HydrophobicContact CG-CD1 4.22Å; L509-L545 HydrophobicContact CD1-CB 4.36Å; L509-L545 WeakPolarHBondContact CD1-O 3.17Å; R541-L545 WeakPolarHBondContact O-CG 3.13Å; R541-L545 PolarHBondContact O-N 3.39Å; R541-L545 VanDerWaalsContact O-N 3.13Å; A542-L545 PolarHBondContact O-N 3.23Å; Q543-L545 PolarHBondContact O-N 3.48Å
546G97.8Very high96.3Very high18 Ų1839.1 Ų39.119%0.18619%0.189CC..THydrogen-bonded Turntrans91.714.9-178.100000114.5L509 A542 Q543 V544L509-G546 PolarHBondContact N-O 2.9Å; A542-G546 PolarHBondContact O-N 3.01Å; Q543-G546 WeakPolarHBondContact O-CA 3.45Å; Q543-G546 PolarHBondContact O-N 2.99Å; V544-G546 PolarHBondContact O-N 2.91Å
547V98.4Very high96.7Very high0 Ų031 Ų310%016%0.158CC..EExtended strand (participates in β ladder)trans-63.8137.3171.5178.30000109.8L449 V463 L509 L511 A542 Q543L449-V547 HydrophobicContact CD2-CB 4.36Å; L449-V547 HydrophobicContact CD2-CG1 4.05Å; V463-V547 HydrophobicContact CG2-CG2 3.75Å; L509-V547 HydrophobicContact CB-CG2 3.97Å; L509-V547 CarbonylContact O-C 3.39Å; L509-V547 VanDerWaalsContact O-CA 3.28Å; L509-V547 WeakPolarHBondContact O-CA 3.26Å; L511-V547 HydrophobicContact CB-CG1 3.85Å; A542-V547 HydrophobicContact CB-CB 4.02Å; A542-V547 HydrophobicContact CB-CG1 4.44Å; A542-V547 HydrophobicContact CB-CG2 4.03Å; A542-V547 WeakPolarHBondContact O-CB 3.47Å; A542-V547 WeakPolarHBondContact O-CG2 3.09Å; A542-V547 PolarHBondContact O-N 2.77Å; Q543-V547 PolarHBondContact NE2-O 3.25Å
548R97.9Very high97Very high68 Ų6828.4 Ų28.426%0.25714%0.14SC..EExtended strand (participates in β ladder)trans-124.2-12.3180-65.1-63.9177.4-96.92.2114.5G448 L449 I457 V506 L509 Q543G448-R548 CarbonylContact C-O 3.43Å; G448-R548 WeakPolarHBondContact CA-O 3.42Å; L449-R548 PolarHBondContact N-O 2.61Å; L449-R548 WeakPolarHBondContact O-CA 3.34Å; I457-R548 HydrophobicContact CD1-CB 4.38Å; I457-R548 WeakPolarHBondContact CD1-O 3.48Å; I457-R548 HydrophobicContact CG2-CB 4.03Å; V506-R548 HydrophobicContact CG1-CB 4.37Å; V506-R548 HydrophobicContact CG1-CG 4.25Å; V506-R548 HydrophobicContact CG2-CG 4.24Å; L509-R548 PolarHBondContact O-N 3.49Å; Q543-R548 PolarHBondContact O-NH1 3.41Å
549N97.5Very high97.2Very high0 Ų028.4 Ų28.40%014%0.14CC..EExtended strand (participates in β ladder)trans-163.5174178.361.9-35.1000112.7C446 T447 I457 T510 L511C446-N549 HydrophobicContact CB-CB 4.34Å; C446-N549 PolarHBondContact SG-ND2 2.89Å; T447-N549 WeakPolarHBondContact O-CA 3.19Å; T447-N549 WeakPolarHBondContact O-CB 3.42Å; I457-N549 HydrophobicContact CD1-CB 3.5Å; I457-N549 WeakPolarHBondContact CG2-OD1 3.21Å; T510-N549 WeakPolarHBondContact CB-OD1 3.32Å; T510-N549 WeakPolarHBondContact CG2-OD1 3.49Å; T510-N549 PolarHBondContact OG1-OD1 2.76Å; L511-N549 PolarHBondContact N-O 2.96Å
550F96.4Very high97.3Very high4 Ų428.3 Ų28.32%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-109.7137.6171.7-55.8-102.2000110C446 T447 L449 L511 E520 F539 R578C446-F550 WeakPolarHBondContact CB-O 3.39Å; T447-F550 PolarHBondContact O-N 3.07Å; L449-F550 HydrophobicContact CB-CE2 3.92Å; L449-F550 HydrophobicContact CD1-CE2 3.92Å; L449-F550 HydrophobicContact CD1-CZ 4.04Å; L449-F550 HydrophobicContact CD2-CZ 4.42Å; L449-F550 HydrophobicContact CG-CE2 4.33Å; L511-F550 HydrophobicContact CB-CD1 4.25Å; L511-F550 HydrophobicContact CD2-CD1 3.69Å; L511-F550 HydrophobicContact CD2-CE1 3.48Å; L511-F550 VanDerWaalsContact CD2-CE1 3.48Å; L511-F550 HydrophobicContact CD2-CZ 4.44Å; L511-F550 HydrophobicContact CG-CD1 4.28Å; L511-F550 CarbonylContact O-C 3.51Å; L511-F550 WeakPolarHBondContact O-CA 3.46Å; E520-F550 HydrophobicContact CB-CD1 3.84Å; E520-F550 HydrophobicContact CB-CE1 4.15Å; E520-F550 HydrophobicContact CG-CB 4.28Å; E520-F550 HydrophobicContact CG-CD1 3.82Å; E520-F550 HydrophobicContact CG-CG 4.35Å; F539-F550 HydrophobicContact CD1-CZ 4.19Å; F539-F550 HydrophobicContact CE1-CE1 4.06Å; F539-F550 AromaticContact CE1-CZ 3.59Å; F539-F550 HydrophobicContact CE1-CZ 3.59Å; F539-F550 HydrophobicContact CE2-CZ 4.45Å; F539-F550 HydrophobicContact CZ-CE1 4.44Å; F539-F550 AromaticContact CZ-CZ 3.74Å; F539-F550 HydrophobicContact CZ-CZ 3.74Å; F550-R578 HydrophobicContact CD2-CG 4.34Å; F550-R578 HydrophobicContact CE2-CB 4.21Å; F550-R578 HydrophobicContact CE2-CG 3.92Å
551R95.9Very high97.5Very high13 Ų1324 Ų245%0.04912%0.119CC..  trans-157.5109.8169.3-172.5166.9-170.7160.4-1.2110L442 V443 T510 L511 G512 E553 S554 I571 S572L442-R551 VanDerWaalsContact CD1-NH2 3.3Å; L442-R551 PolarHBondContact O-NH1 2.95Å; V443-R551 VanDerWaalsContact C-NH1 3.3Å; V443-R551 PolarHBondContact O-NH2 3.12Å; T510-R551 HydrophobicContact CG2-CB 3.67Å; L511-R551 PolarHBondContact O-N 3Å; G512-R551 VanDerWaalsContact CA-O 3.27Å; G512-R551 WeakPolarHBondContact CA-O 3.4Å; R551-E553 PolarHBondContact O-N 2.87Å; R551-S554 WeakPolarHBondContact O-CB 3.08Å; R551-S554 PolarHBondContact O-N 3.07Å; R551-S554 VanDerWaalsContact O-N 3.08Å; R551-S554 PolarHBondContact O-OG 3.47Å; R551-I571 PolarHBondContact NH1-O 2.77Å; R551-S572 PolarHBondContact NH1-OG 2.86Å
552M96.1Very high97.5Very high2 Ų220.8 Ų20.81%0.0111%0.112CC..THydrogen-bonded Turntrans-50-38.7-170.7-57.2176.967.700113.6I95 T513 Y516I95-M552 HydrophobicContact CD1-CE 4.46Å; I95-M552 HydrophobicContact CD1-SD 4.26Å; T513-M552 VanDerWaalsContact O-CA 3.31Å; T513-M552 WeakPolarHBondContact O-CA 3.21Å; T513-M552 VanDerWaalsContact O-CB 3.25Å; T513-M552 WeakPolarHBondContact O-CB 3.23Å; T513-M552 VanDerWaalsContact O-CG 3.24Å; T513-M552 WeakPolarHBondContact O-CG 3.45Å; Y516-M552 HydrophobicContact CD2-SD 4.49Å
553E97.4Very high97.4Very high1 Ų123.8 Ų23.81%0.00512%0.123CC..THydrogen-bonded Turntrans-90.9-2.9-170.7-49.484.4179.200113.8K364 H412 G415 C419 L442 R551 T555 C556 F557K364-E553 IonicContact NZ-OE1 3.48Å; K364-E553 PolarHBondContact NZ-OE1 2.64Å; H412-E553 IonicContact CE1-OE1 3.72Å; G415-E553 PolarHBondContact N-OE1 3.5Å; G415-E553 VanDerWaalsContact O-CG 3.28Å; G415-E553 WeakPolarHBondContact O-CG 3.47Å; C419-E553 HydrophobicContact CB-CB 4.1Å; C419-E553 HydrophobicContact CB-CG 4.11Å; L442-E553 HydrophobicContact CD2-CB 4.26Å; R551-E553 PolarHBondContact O-N 2.87Å; E553-T555 PolarHBondContact O-N 2.98Å; E553-C556 PolarHBondContact O-SG 3.2Å; E553-F557 WeakPolarHBondContact O-CB 3.47Å; E553-F557 PolarHBondContact O-N 2.89Å
554S98.2Very high97.3Very high0 Ų022.3 Ų22.30%012%0.118CC..Hα-helixtrans-71.3-31.1-167.676.30000113.9S462 T510 R551 A558S462-S554 WeakPolarHBondContact CB-OG 3.17Å; S462-S554 VanDerWaalsContact OG-C 3.26Å; S462-S554 WeakPolarHBondContact OG-CB 3.41Å; S462-S554 PolarHBondContact OG-O 3Å; S462-S554 VanDerWaalsContact OG-O 3.07Å; S462-S554 PolarHBondContact OG-OG 3.4Å; T510-S554 WeakPolarHBondContact CG2-OG 3.32Å; R551-S554 WeakPolarHBondContact O-CB 3.08Å; R551-S554 PolarHBondContact O-N 3.07Å; R551-S554 VanDerWaalsContact O-N 3.08Å; R551-S554 PolarHBondContact O-OG 3.47Å; S554-A558 WeakPolarHBondContact O-CB 3.33Å; S554-A558 PolarHBondContact O-N 3.14Å; S554-A558 VanDerWaalsContact O-N 3.12Å
555T98.3Very high97.2Very high1 Ų123.5 Ų23.51%0.00612%0.116CC..Hα-helixtrans-67.6-53.3177.740.30000111.8E416 V463 N464 S484 E553 A558 A559E416-T555 PolarHBondContact OE1-OG1 3.1Å; V463-T555 WeakPolarHBondContact O-CG2 3.46Å; N464-T555 HydrophobicContact CB-CG2 4.26Å; S484-T555 PolarHBondContact OG-O 3.36Å; E553-T555 PolarHBondContact O-N 2.98Å; T555-A558 PolarHBondContact O-N 3.1Å; T555-A559 WeakPolarHBondContact O-CB 3.42Å; T555-A559 PolarHBondContact O-N 2.97Å
556C98.2Very high97Very high0 Ų019.6 Ų19.60%010%0.095CC..Hα-helixtrans-67.5-42.4-179.365.20000111.6E416 L420 F471 E553 A558 A559 F560E416-C556 HydrophobicContact CB-CB 4.38Å; E416-C556 HydrophobicContact CG-CB 4.23Å; L420-C556 HydrophobicContact CD1-CB 4.16Å; L420-C556 HydrophobicContact CD2-CB 4.03Å; L420-C556 HydrophobicContact CG-CB 4.02Å; F471-C556 HydrophobicContact CD1-CB 4.2Å; F471-C556 HydrophobicContact CD2-CB 3.98Å; F471-C556 HydrophobicContact CE1-CB 3.97Å; F471-C556 HydrophobicContact CE2-CB 3.78Å; F471-C556 HydrophobicContact CG-CB 4.21Å; F471-C556 HydrophobicContact CZ-CB 3.77Å; E553-C556 PolarHBondContact O-SG 3.2Å; C556-A558 VanDerWaalsContact C-N 3.35Å; C556-A558 PolarHBondContact O-N 3.49Å; C556-A559 PolarHBondContact O-N 3.43Å; C556-F560 VanDerWaalsContact O-CB 3.29Å; C556-F560 WeakPolarHBondContact O-CB 3.47Å; C556-F560 PolarHBondContact O-N 3.37Å
557F98.7Very high96.9Very high0 Ų023.5 Ų23.50%011%0.107CC..Hα-helixtrans-59.1-46.2176-178.9-89.3000111.6F362 L423 L442 M486 E553 F560 C561 A568 V570F362-F557 AromaticContact CD2-CE2 3.69Å; F362-F557 HydrophobicContact CD2-CE2 3.69Å; F362-F557 HydrophobicContact CD2-CZ 4.32Å; F362-F557 HydrophobicContact CE2-CE2 4.01Å; F362-F557 HydrophobicContact CG-CE2 4.05Å; L423-F557 HydrophobicContact CD1-CB 4.48Å; L423-F557 HydrophobicContact CD1-CD2 4.05Å; L423-F557 HydrophobicContact CD2-CD2 3.9Å; L423-F557 HydrophobicContact CD2-CE2 3.95Å; L423-F557 HydrophobicContact CG-CD2 4.42Å; L442-F557 HydrophobicContact CB-CD1 3.82Å; L442-F557 HydrophobicContact CB-CD2 3.93Å; L442-F557 HydrophobicContact CB-CE1 3.67Å; L442-F557 HydrophobicContact CB-CE2 3.8Å; L442-F557 HydrophobicContact CB-CG 3.94Å; L442-F557 HydrophobicContact CB-CZ 3.66Å; L442-F557 HydrophobicContact CD1-CD2 4.47Å; L442-F557 HydrophobicContact CD2-CB 3.82Å; L442-F557 HydrophobicContact CD2-CD1 4.14Å; L442-F557 HydrophobicContact CD2-CD2 4.23Å; L442-F557 HydrophobicContact CD2-CG 3.81Å; L442-F557 HydrophobicContact CG-CD2 4.4Å; L442-F557 HydrophobicContact CG-CG 4.36Å; M486-F557 HydrophobicContact CE-CD1 4.4Å; E553-F557 WeakPolarHBondContact O-CB 3.47Å; E553-F557 PolarHBondContact O-N 2.89Å; F557-F560 PolarHBondContact O-N 3.49Å; F557-C561 WeakPolarHBondContact O-CB 3.41Å; F557-C561 PolarHBondContact O-N 2.9Å; F557-C561 PolarHBondContact O-SG 3.33Å; F557-A568 HydrophobicContact CE1-CB 3.99Å; F557-A568 HydrophobicContact CZ-CB 4.28Å; F557-V570 HydrophobicContact CD1-CG2 3.7Å; F557-V570 HydrophobicContact CE1-CG2 4.04Å
558A98.6Very high96.9Very high0 Ų023.5 Ų23.50%011%0.107CC..Hα-helixtrans-62.8-48.7177.700000113.3M486 S554 T555 C556 F560 C561 N562M486-A558 HydrophobicContact CE-CB 3.09Å; S554-A558 WeakPolarHBondContact O-CB 3.33Å; S554-A558 PolarHBondContact O-N 3.14Å; S554-A558 VanDerWaalsContact O-N 3.12Å; T555-A558 PolarHBondContact O-N 3.1Å; C556-A558 VanDerWaalsContact C-N 3.35Å; C556-A558 PolarHBondContact O-N 3.49Å; A558-F560 VanDerWaalsContact C-N 3.33Å; A558-F560 PolarHBondContact O-N 3.3Å; A558-C561 PolarHBondContact O-N 2.8Å; A558-N562 WeakPolarHBondContact O-CB 3.46Å; A558-N562 PolarHBondContact O-N 3.01Å
559A98.4Very high96.9Very high1 Ų120.4 Ų20.41%0.00810%0.096CC..Hα-helixtrans-62.3-42.4179.200000111.7F471 T555 C556 R563F471-A559 HydrophobicContact CB-CB 3.52Å; F471-A559 HydrophobicContact CD1-CB 4Å; F471-A559 HydrophobicContact CG-CB 4.16Å; T555-A559 WeakPolarHBondContact O-CB 3.42Å; T555-A559 PolarHBondContact O-N 2.97Å; C556-A559 PolarHBondContact O-N 3.43Å; A559-R563 WeakPolarHBondContact O-CB 3.34Å; A559-R563 WeakPolarHBondContact O-CD 3.47Å; A559-R563 WeakPolarHBondContact O-CG 3.37Å; A559-R563 PolarHBondContact O-N 3.2Å
560F98.2Very high96.9Very high3 Ų320.5 Ų20.51%0.01310%0.096CC..Hα-helixtrans-61.8-54.3177.1-176.3-81.5000111.2A216 L217 L420 L423 H424 T427 C556 F557 A558 N562 R563 A564 I566A216-F560 HydrophobicContact CB-CZ 4.18Å; L217-F560 HydrophobicContact CD1-CD2 3.64Å; L217-F560 HydrophobicContact CD1-CE2 3.59Å; L217-F560 HydrophobicContact CD1-CG 4.21Å; L217-F560 HydrophobicContact CD1-CZ 4.13Å; L217-F560 HydrophobicContact CG-CD2 4.4Å; L217-F560 HydrophobicContact CG-CE2 3.84Å; L217-F560 HydrophobicContact CG-CZ 4.16Å; L420-F560 HydrophobicContact CD2-CD2 4.38Å; L423-F560 HydrophobicContact CB-CD1 3.88Å; L423-F560 HydrophobicContact CB-CD2 4.09Å; L423-F560 HydrophobicContact CB-CE1 3.85Å; L423-F560 HydrophobicContact CB-CE2 4.05Å; L423-F560 HydrophobicContact CB-CG 4.01Å; L423-F560 HydrophobicContact CB-CZ 3.93Å; L423-F560 HydrophobicContact CD1-CB 3.91Å; L423-F560 HydrophobicContact CD1-CD1 4.14Å; L423-F560 HydrophobicContact CD1-CG 3.93Å; L423-F560 HydrophobicContact CD2-CD1 3.9Å; L423-F560 HydrophobicContact CD2-CE1 4.22Å; L423-F560 HydrophobicContact CG-CD1 4.2Å; L423-F560 HydrophobicContact CG-CG 4.39Å; H424-F560 AromaticContact CD2-CE2 3.46Å; H424-F560 VanDerWaalsContact CD2-CE2 3.46Å; H424-F560 WeakPolarHBondContact CD2-CE2 3.28Å; H424-F560 AromaticContact CE1-CE2 3.95Å; H424-F560 AromaticContact CG-CE2 3.89Å; H424-F560 AromaticContact NE2-CD2 3.88Å; H424-F560 AromaticContact NE2-CE2 3.49Å; H424-F560 WeakPolarHBondContact NE2-CE2 3.21Å; T427-F560 HydrophobicContact CG2-CE1 4.48Å; T427-F560 HydrophobicContact CG2-CZ 4.38Å; C556-F560 VanDerWaalsContact O-CB 3.29Å; C556-F560 WeakPolarHBondContact O-CB 3.47Å; C556-F560 PolarHBondContact O-N 3.37Å; F557-F560 PolarHBondContact O-N 3.49Å; A558-F560 VanDerWaalsContact C-N 3.33Å; A558-F560 PolarHBondContact O-N 3.3Å; F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 3.02Å; F560-R563 PolarHBondContact O-N 2.83Å; F560-A564 HydrophobicContact CD1-CB 4.39Å; F560-A564 HydrophobicContact CE1-CB 4.15Å; F560-A564 VanDerWaalsContact O-CB 3.25Å; F560-A564 WeakPolarHBondContact O-CB 3.1Å; F560-A564 PolarHBondContact O-N 2.71Å; F560-I566 HydrophobicContact CD1-CD1 4.38Å; F560-I566 HydrophobicContact CE1-CD1 3.93Å
561C97.9Very high97Very high2 Ų220.3 Ų20.31%0.01410%0.096CC..Hα-helixtrans-62.1-41.8-177.4-64.40000111.7F557 A558 A564 Q565 I566 A568F557-C561 WeakPolarHBondContact O-CB 3.41Å; F557-C561 PolarHBondContact O-N 2.9Å; F557-C561 PolarHBondContact O-SG 3.33Å; A558-C561 PolarHBondContact O-N 2.8Å; C561-A564 CarbonylContact O-C 3.5Å; C561-A564 PolarHBondContact O-N 2.91Å; C561-Q565 PolarHBondContact O-N 2.91Å; C561-I566 HydrophobicContact CB-CB 4.12Å; C561-I566 PolarHBondContact O-N 2.95Å; C561-A568 HydrophobicContact CB-CB 3.64Å
562N96.7Very high97.1Very high57 Ų5719.7 Ų19.731%0.3059%0.093SC..Hα-helixtrans-61.3-46.9176.1-17839.8000111.9A483 V485 A558 F560 A564 Q565A483-N562 PolarHBondContact O-ND2 3.44Å; V485-N562 HydrophobicContact CG2-CB 4.41Å; V485-N562 WeakPolarHBondContact CG2-ND2 3.19Å; A558-N562 WeakPolarHBondContact O-CB 3.46Å; A558-N562 PolarHBondContact O-N 3.01Å; F560-N562 VanDerWaalsContact C-N 3.33Å; F560-N562 PolarHBondContact O-N 3.02Å; N562-A564 VanDerWaalsContact C-N 3.34Å; N562-A564 PolarHBondContact O-N 2.72Å; N562-Q565 PolarHBondContact O-N 3.37Å; N562-Q565 PolarHBondContact O-NE2 2.98Å
563R95.6Very high97.2Very high65 Ų6519.6 Ų19.625%0.2459%0.093CC..Hα-helixtrans-63.4-40.7176.2-73167.569.6-156.9-1.3112.5E208 L217 Y482 A559 F560 Q565E208-R563 IonicContact OE1-CZ 3.39Å; E208-R563 IonicContact OE1-NH1 3.62Å; E208-R563 IonicContact OE1-NH2 2.91Å; E208-R563 PolarHBondContact OE1-NH2 3.13Å; E208-R563 IonicContact OE2-CZ 2.7Å; E208-R563 IonicContact OE2-NH1 3.14Å; E208-R563 PolarHBondContact OE2-NH1 2.69Å; E208-R563 IonicContact OE2-NH2 3.8Å; E208-R563 PolarHBondContact OE2-NH2 3.29Å; L217-R563 HydrophobicContact CD1-CB 4.06Å; Y482-R563 VanDerWaalsContact CD1-CD 3.47Å; Y482-R563 HydrophobicContact CD1-CG 4.08Å; Y482-R563 HydrophobicContact CG-CG 4.37Å; Y482-R563 VanDerWaalsContact CZ-CZ 3.43Å; Y482-R563 PolarHBondContact OH-NH2 3.14Å; A559-R563 WeakPolarHBondContact O-CB 3.34Å; A559-R563 WeakPolarHBondContact O-CD 3.47Å; A559-R563 WeakPolarHBondContact O-CG 3.37Å; A559-R563 PolarHBondContact O-N 3.2Å; F560-R563 PolarHBondContact O-N 2.83Å; R563-Q565 PolarHBondContact O-N 3.37Å
564A93.8Very high97.1Very high14 Ų1419.6 Ų19.612%0.1169%0.093CC..THydrogen-bonded Turntrans-78.7-2.6-179.500000113.3L217 F560 C561 N562 I566L217-A564 HydrophobicContact CD1-CB 4.37Å; L217-A564 HydrophobicContact CD2-CB 4.06Å; F560-A564 HydrophobicContact CD1-CB 4.39Å; F560-A564 HydrophobicContact CE1-CB 4.15Å; F560-A564 VanDerWaalsContact O-CB 3.25Å; F560-A564 WeakPolarHBondContact O-CB 3.1Å; F560-A564 PolarHBondContact O-N 2.71Å; C561-A564 CarbonylContact O-C 3.5Å; C561-A564 PolarHBondContact O-N 2.91Å; N562-A564 VanDerWaalsContact C-N 3.34Å; N562-A564 PolarHBondContact O-N 2.72Å; A564-I566 HydrophobicContact CB-CD1 3.51Å; A564-I566 HydrophobicContact CB-CG1 3.64Å; A564-I566 PolarHBondContact O-N 2.85Å
565Q93.4Very high96.7Very high154 Ų15420.1 Ų20.172%0.7210%0.096SC*.THydrogen-bonded Turntrans55.337.1-175-60.4-67.9-60.700112.8C561 N562 R563C561-Q565 PolarHBondContact O-N 2.91Å; N562-Q565 PolarHBondContact O-N 3.37Å; N562-Q565 PolarHBondContact O-NE2 2.98Å; R563-Q565 PolarHBondContact O-N 3.37Å
566I94.1Very high96.3Very high9 Ų921.6 Ų21.65%0.04610%0.104CC..  trans-90.6123.3177.7-59.1171.1000108.2T427 F437 Y440 F560 C561 A564 A568T427-I566 HydrophobicContact CG2-CD1 4.35Å; F437-I566 HydrophobicContact CD1-CB 4.16Å; F437-I566 HydrophobicContact CD1-CD1 4.11Å; F437-I566 HydrophobicContact CD1-CG1 3.6Å; F437-I566 HydrophobicContact CD1-CG2 3.76Å; F437-I566 HydrophobicContact CE1-CB 4.03Å; F437-I566 HydrophobicContact CE1-CD1 3.28Å; F437-I566 HydrophobicContact CE1-CG1 3.31Å; F437-I566 HydrophobicContact CE1-CG2 3.56Å; F437-I566 HydrophobicContact CG-CG1 4.48Å; F437-I566 HydrophobicContact CZ-CD1 3.56Å; F437-I566 HydrophobicContact CZ-CG1 3.97Å; Y440-I566 HydrophobicContact CD1-CG2 4.09Å; Y440-I566 HydrophobicContact CD2-CD1 4.12Å; Y440-I566 HydrophobicContact CD2-CG2 3.9Å; Y440-I566 HydrophobicContact CE2-CD1 3.86Å; Y440-I566 HydrophobicContact CG-CG2 3.66Å; F560-I566 HydrophobicContact CD1-CD1 4.38Å; F560-I566 HydrophobicContact CE1-CD1 3.93Å; C561-I566 HydrophobicContact CB-CB 4.12Å; C561-I566 PolarHBondContact O-N 2.95Å; A564-I566 HydrophobicContact CB-CD1 3.51Å; A564-I566 HydrophobicContact CB-CG1 3.64Å; A564-I566 PolarHBondContact O-N 2.85Å; I566-A568 PolarHBondContact O-N 3.16Å; I566-A568 VanDerWaalsContact O-N 3.11Å
567K95.6Very high96Very high99 Ų9921.8 Ų21.843%0.4311%0.105SC..  trans-65112171.6-67.3-173.7-179.3176.40108.9Y439 Y440 M490Y439-K567 WeakPolarHBondContact CA-O 3.44Å; Y439-K567 HydrophobicContact CD1-CB 3.57Å; Y439-K567 HydrophobicContact CD1-CD 4.23Å; Y439-K567 HydrophobicContact CE1-CB 3.8Å; Y439-K567 HydrophobicContact CE1-CD 3.55Å; Y439-K567 HydrophobicContact CE1-CG 4.33Å; Y440-K567 PolarHBondContact N-O 3.03Å; M490-K567 HydrophobicContact CG-CB 3.97Å; M490-K567 HydrophobicContact SD-CB 4.18Å
568A97.3Very high95.5Very high1 Ų122.2 Ų22.21%0.00811%0.107CC..EExtended strand (participates in β ladder)trans-141.6154-171.500000113.6Y440 F557 C561 I566Y440-A568 CarbonylContact O-C 3.52Å; Y440-A568 WeakPolarHBondContact O-CA 3.5Å; Y440-A568 VanDerWaalsContact O-CB 3.28Å; Y440-A568 WeakPolarHBondContact O-CB 3.49Å; F557-A568 HydrophobicContact CE1-CB 3.99Å; F557-A568 HydrophobicContact CZ-CB 4.28Å; C561-A568 HydrophobicContact CB-CB 3.64Å; I566-A568 PolarHBondContact O-N 3.16Å; I566-A568 VanDerWaalsContact O-N 3.11Å
569A98Very high94.9Very high2 Ų225.6 Ų25.62%0.01712%0.124CC..EExtended strand (participates in β ladder)trans-137.6147.1172.100000111.8Y440 F441 L442 M490 I571Y440-A569 PolarHBondContact O-N 3.35Å; F441-A569 WeakPolarHBondContact CA-O 3.46Å; F441-A569 HydrophobicContact CD1-CB 4.03Å; F441-A569 HydrophobicContact CE1-CB 4.25Å; L442-A569 PolarHBondContact N-O 3.25Å; M490-A569 HydrophobicContact CB-CB 4.13Å; A569-I571 HydrophobicContact CB-CG1 4.3Å
570V98.4Very high93.7Very high2 Ų232.6 Ų32.61%0.01216%0.157CC..EExtended strand (participates in β ladder)trans-104.7119.8167.6179.50000107.7L442 T459 M486 F557L442-V570 HydrophobicContact CB-CB 4.42Å; L442-V570 HydrophobicContact CB-CG1 4.34Å; L442-V570 HydrophobicContact CB-CG2 3.99Å; L442-V570 HydrophobicContact CD2-CG1 4.14Å; L442-V570 HydrophobicContact CD2-CG2 4.03Å; L442-V570 HydrophobicContact CG-CG1 4.33Å; L442-V570 HydrophobicContact CG-CG2 4.49Å; L442-V570 WeakPolarHBondContact O-CA 3.28Å; T459-V570 HydrophobicContact CG2-CB 4.4Å; T459-V570 PolarHBondContact N-O 2.85Å; T459-V570 VanDerWaalsContact N-O 3.14Å; T459-V570 WeakPolarHBondContact OG1-CB 3.45Å; T459-V570 WeakPolarHBondContact OG1-CG1 3.5Å; T459-V570 PolarHBondContact OG1-O 2.78Å; M486-V570 HydrophobicContact CE-CG2 4.2Å; M486-V570 HydrophobicContact SD-CB 4.28Å; M486-V570 HydrophobicContact SD-CG2 3.64Å; F557-V570 HydrophobicContact CD1-CG2 3.7Å; F557-V570 HydrophobicContact CE1-CG2 4.04Å
571I98.3Very high92.2Very high1 Ų134.2 Ų34.21%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-123.1120.8-176.5-52.6172.1000107.3F441 L442 V443 G444 I456 L458 A494 R551 A569 L599 V602 L606F441-I571 HydrophobicContact CD1-CD1 4.02Å; L442-I571 PolarHBondContact O-N 2.89Å; V443-I571 WeakPolarHBondContact CA-O 3.4Å; V443-I571 HydrophobicContact CG1-CB 4.33Å; G444-I571 PolarHBondContact N-O 3.47Å; I456-I571 HydrophobicContact CG2-CG2 3.97Å; L458-I571 HydrophobicContact CD2-CB 4.5Å; L458-I571 HydrophobicContact CD2-CG1 4.12Å; L458-I571 HydrophobicContact CD2-CG2 4.01Å; A494-I571 HydrophobicContact CB-CD1 4.35Å; R551-I571 PolarHBondContact NH1-O 2.77Å; A569-I571 HydrophobicContact CB-CG1 4.3Å; I571-L599 HydrophobicContact CB-CD1 4.35Å; I571-L599 HydrophobicContact CG2-CD1 3.73Å; I571-V602 HydrophobicContact CG2-CG1 4.32Å; I571-L606 HydrophobicContact CD1-CD1 3.2Å
572S98Very high90.6Very high0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-128.9148.6-177.7-50.50000111.6G444 C446 I456 I457 R551G444-S572 WeakPolarHBondContact O-CA 3.33Å; C446-S572 VanDerWaalsContact SG-CB 3.52Å; I456-S572 CarbonylContact C-O 3.57Å; I456-S572 WeakPolarHBondContact CA-O 3.4Å; I457-S572 PolarHBondContact N-O 2.87Å; I457-S572 PolarHBondContact O-N 2.73Å; R551-S572 PolarHBondContact NH1-OG 2.86Å
573V97.4Very high88.7Confident0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-106.5125.4169.962.90000109.5G444 K445 C446 I456 C575 N595 L598 L599G444-V573 PolarHBondContact O-N 3.46Å; K445-V573 HydrophobicContact CB-CG1 4.37Å; K445-V573 HydrophobicContact CG-CG1 3.75Å; C446-V573 PolarHBondContact N-O 2.88Å; C446-V573 PolarHBondContact SG-O 3.33Å; C446-V573 VanDerWaalsContact SG-O 3.35Å; I456-V573 HydrophobicContact CD1-CB 3.98Å; I456-V573 HydrophobicContact CD1-CG2 4.2Å; V573-C575 PolarHBondContact O-N 2.96Å; V573-N595 HydrophobicContact CG1-CB 4.12Å; V573-N595 HydrophobicContact CG2-CB 3.83Å; V573-L598 HydrophobicContact CG2-CD2 4.48Å; V573-L599 HydrophobicContact CB-CB 4.33Å; V573-L599 HydrophobicContact CG1-CB 4.11Å; V573-L599 HydrophobicContact CG1-CD2 4.38Å
574A94.8Very high86.7Confident0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-67.6127.3174.800000109.6A451 E452 P453 G454 T455 I457 N595A451-A574 HydrophobicContact CB-CB 4.14Å; E452-A574 WeakPolarHBondContact O-CB 3.5Å; P453-A574 CarbonylContact C-O 3.52Å; P453-A574 VanDerWaalsContact CA-O 3.26Å; P453-A574 WeakPolarHBondContact CA-O 3.35Å; G454-A574 PolarHBondContact N-O 3.37Å; T455-A574 PolarHBondContact O-N 3.15Å; I457-A574 HydrophobicContact CD1-CB 4.13Å; A574-N595 PolarHBondContact O-ND2 2.9Å
575C91.5Very high84.8Confident12 Ų1241.3 Ų41.38%0.08121%0.206CC..EExtended strand (participates in β ladder)trans-107.1-26.7176.4-70.60000111.9C446 P453 V573 M587C446-C575 PolarHBondContact O-N 3.18Å; P453-C575 WeakPolarHBondContact CG-O 3.41Å; V573-C575 PolarHBondContact O-N 2.96Å; C575-M587 HydrophobicContact CB-CE 4.47Å; C575-M587 HydrophobicContact CB-SD 3.52Å; C575-M587 VanDerWaalsContact CB-SD 3.52Å
576L89.4Confident83Confident32 Ų3239.1 Ų39.117%0.16819%0.194CC..EExtended strand (participates in β ladder)trans-143.1151.3-179.7-65.3169000109T447 G448 I585 M587T447-L576 HydrophobicContact CG2-CB 4.13Å; T447-L576 HydrophobicContact CG2-CD1 4.15Å; G448-L576 WeakPolarHBondContact CA-O 3.17Å; G448-L576 PolarHBondContact N-O 3.4Å; L576-I585 HydrophobicContact CD2-CB 4.43Å; L576-M587 HydrophobicContact CD2-CG 4.2Å
577N91Very high81.6Confident4 Ų441 Ų412%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-108.9108.7172.5-175.9-7.5000110.7G450 A451 E452 L579 H580 T581G450-N577 PolarHBondContact N-OD1 3Å; A451-N577 WeakPolarHBondContact O-CB 3.47Å; E452-N577 PolarHBondContact OE1-ND2 3.08Å; N577-L579 PolarHBondContact O-N 2.94Å; N577-L579 VanDerWaalsContact O-N 3.17Å; N577-L579 PolarHBondContact OD1-N 3.16Å; N577-L579 VanDerWaalsContact OD1-N 3.12Å; N577-H580 PolarHBondContact ND2-CD2 3.39Å; N577-H580 PolarHBondContact O-N 2.95Å; N577-T581 PolarHBondContact O-N 3.28Å; N577-T581 PolarHBondContact O-OG1 3.36Å
578R88.8Confident80.2Confident9 Ų939.2 Ų39.23%0.03420%0.204CC..THydrogen-bonded Turntrans-69.8-7.6-175-62.8-68.7-59-565.2114.9G448 L449 E520 G521 F539 F550 D583G448-R578 WeakPolarHBondContact O-CB 3.33Å; G448-R578 WeakPolarHBondContact O-CG 3.45Å; G448-R578 PolarHBondContact O-N 2.87Å; L449-R578 HydrophobicContact CD1-CB 4.23Å; E520-R578 PolarHBondContact O-NH1 3.34Å; E520-R578 PolarHBondContact O-NH2 3.25Å; G521-R578 PolarHBondContact O-NH2 2.84Å; F539-R578 HydrophobicContact CE2-CB 3.89Å; F550-R578 HydrophobicContact CD2-CG 4.34Å; F550-R578 HydrophobicContact CE2-CB 4.21Å; F550-R578 HydrophobicContact CE2-CG 3.92Å; R578-D583 IonicContact CZ-OD1 3.18Å; R578-D583 VanDerWaalsContact CZ-OD1 3.29Å; R578-D583 IonicContact NE-OD1 3.54Å; R578-D583 PolarHBondContact NE-OD1 2.88Å; R578-D583 IonicContact NH2-OD1 2.76Å; R578-D583 PolarHBondContact NH2-OD1 2.96Å; R578-D583 IonicContact NH2-OD2 3.43Å
579L85.1Confident78.9Confident70 Ų7047.2 Ų47.237%0.36624%0.241SC..THydrogen-bonded Turntrans-82.2-33.1174.2-67.2-177.6000112.9L449 F539 Q543 N577L449-L579 HydrophobicContact CD1-CD2 3.69Å; L449-L579 HydrophobicContact CD1-CG 4.01Å; L449-L579 HydrophobicContact CG-CD2 4.34Å; L449-L579 HydrophobicContact CG-CG 4.43Å; F539-L579 HydrophobicContact CB-CD2 4.08Å; F539-L579 HydrophobicContact CD2-CD2 4.25Å; Q543-L579 HydrophobicContact CG-CD1 3.99Å; Q543-L579 HydrophobicContact CG-CD2 4.45Å; N577-L579 PolarHBondContact O-N 2.94Å; N577-L579 VanDerWaalsContact O-N 3.17Å; N577-L579 PolarHBondContact OD1-N 3.16Å; N577-L579 VanDerWaalsContact OD1-N 3.12Å
580H73.6Confident77.6Confident149 Ų14950.2 Ų50.269%0.6926%0.261SS*.THydrogen-bonded Turntrans-111.4-20.7-174.3-59.7-54.2000113.4N577N577-H580 PolarHBondContact ND2-CD2 3.39Å; N577-H580 PolarHBondContact O-N 2.95Å
581T67.3Low76.7Confident36 Ų3652.6 Ų52.622%0.22128%0.278CS..  trans-117.9134-177.661.70000110.1N577 I585N577-T581 PolarHBondContact O-N 3.28Å; N577-T581 PolarHBondContact O-OG1 3.36Å; T581-I585 HydrophobicContact CG2-CD1 3.56Å
582E63.4Low76Confident95 Ų9555.5 Ų55.544%0.44429%0.293SS..  trans-71.3166160.6-70.5-160.9157.700110R7 T584R7-E582 IonicContact CZ-OE2 2.97Å; R7-E582 IonicContact NH1-OE2 2.64Å; R7-E582 IonicContact NH2-OE1 2.64Å; R7-E582 IonicContact NH2-OE2 3.29Å; R7-E582 PolarHBondContact NH2-OE2 3.49Å; E582-T584 PolarHBondContact O-N 3.24Å
583D58.5Low75.4Confident23 Ų2361.2 Ų61.212%0.12332%0.322CS..THydrogen-bonded Turntrans-60.35.2-173.5-60.1-44.4000114.5Y13 R522 R578Y13-D583 VanDerWaalsContact CZ-O 3.24Å; Y13-D583 PolarHBondContact OH-O 3.16Å; R522-D583 IonicContact CZ-OD1 3.2Å; R522-D583 IonicContact NH1-OD1 3.52Å; R522-D583 PolarHBondContact NH1-OD1 3.44Å; R578-D583 IonicContact CZ-OD1 3.18Å; R578-D583 VanDerWaalsContact CZ-OD1 3.29Å; R578-D583 IonicContact NE-OD1 3.54Å; R578-D583 PolarHBondContact NE-OD1 2.88Å; R578-D583 IonicContact NH2-OD1 2.76Å; R578-D583 PolarHBondContact NH2-OD1 2.96Å; R578-D583 IonicContact NH2-OD2 3.43Å
584T53.1Low75.1Confident73 Ų7367.5 Ų67.545%0.44835%0.349SS..THydrogen-bonded Turntrans-100.8-10.7-16338.70000116.9R7 E582 K586R7-T584 VanDerWaalsContact NH1-CG2 3.32Å; E582-T584 PolarHBondContact O-N 3.24Å; T584-K586 PolarHBondContact O-N 3.23Å
585I54.2Low75.1Confident97 Ų9768.3 Ų68.350%0.49735%0.353SS..  trans-73.3103.4176.9-59.6179.8000108.5L576 T581 M587L576-I585 HydrophobicContact CD2-CB 4.43Å; T581-I585 HydrophobicContact CG2-CD1 3.56Å; I585-M587 PolarHBondContact O-N 2.74Å
586K56.1Low75.1Confident108 Ų10868.4 Ų68.447%0.4735%0.352SS..  trans-58.5102162.5-80.4179.3-178.8166.60107E20 T584 S588E20-K586 IonicContact OE2-NZ 3.5Å; T584-K586 PolarHBondContact O-N 3.23Å; K586-S588 PolarHBondContact O-N 3.38Å
587M64.4Low75.4Confident47 Ų4771.4 Ų71.423%0.23237%0.365CS..  trans-55.6137.1163.2-88.9-176.37100108.7C575 L576 I585 S591 N592 N595C575-M587 HydrophobicContact CB-CE 4.47Å; C575-M587 HydrophobicContact CB-SD 3.52Å; C575-M587 VanDerWaalsContact CB-SD 3.52Å; L576-M587 HydrophobicContact CD2-CG 4.2Å; I585-M587 PolarHBondContact O-N 2.74Å; M587-S591 WeakPolarHBondContact CE-O 3.48Å; M587-N592 HydrophobicContact CE-CB 4.21Å; M587-N595 VanDerWaalsContact CE-ND2 3.28Å; M587-N595 WeakPolarHBondContact CE-ND2 3.32Å
588S65.6Low75.6Confident63 Ų6373 Ų7344%0.44137%0.374SS..  trans-58.6146.817073.80000109.6K586 C590 S591 N592K586-S588 PolarHBondContact O-N 3.38Å; S588-C590 PolarHBondContact O-N 3.38Å; S588-S591 PolarHBondContact O-N 2.81Å; S588-S591 VanDerWaalsContact O-N 3.12Å; S588-S591 WeakPolarHBondContact OG-CB 3.19Å; S588-S591 PolarHBondContact OG-N 3.27Å; S588-S591 PolarHBondContact OG-OG 2.85Å; S588-N592 PolarHBondContact O-N 3.27Å
589Q70.3Confident76Confident168 Ų16872.8 Ų72.879%0.78537%0.373SS*.Hα-helixtrans-54.9-37.9174.2-71178.6-13.700110.9N592 M593Q589-N592 WeakPolarHBondContact O-CB 3.38Å; Q589-N592 PolarHBondContact O-N 3.24Å; Q589-M593 WeakPolarHBondContact O-CG 3.35Å; Q589-M593 PolarHBondContact O-N 2.96Å
590C70.6Confident76.5Confident65 Ų6569.8 Ų69.844%0.43936%0.357SS..Hα-helixtrans-57.8-50.3174.8-177.70000112.5S588 N592 M593 K594S588-C590 PolarHBondContact O-N 3.38Å; C590-N592 VanDerWaalsContact C-N 3.28Å; C590-N592 PolarHBondContact O-N 3.14Å; C590-M593 PolarHBondContact O-N 2.88Å; C590-K594 WeakPolarHBondContact O-CG 3.47Å; C590-K594 PolarHBondContact O-N 3.22Å
591S80.4Confident77.5Confident53 Ų5365 Ų6537%0.37134%0.337SS..Hα-helixtrans-64.7-34.4177.6-620000112.2M587 S588 K594 N595M587-S591 WeakPolarHBondContact CE-O 3.48Å; S588-S591 PolarHBondContact O-N 2.81Å; S588-S591 VanDerWaalsContact O-N 3.12Å; S588-S591 WeakPolarHBondContact OG-CB 3.19Å; S588-S591 PolarHBondContact OG-N 3.27Å; S588-S591 PolarHBondContact OG-OG 2.85Å; S591-K594 PolarHBondContact O-N 3.14Å; S591-N595 PolarHBondContact O-N 3.28Å; S591-N595 VanDerWaalsContact O-N 3.13Å
592N81.7Confident78.9Confident61 Ų6163.3 Ų63.333%0.32633%0.327SS..Hα-helixtrans-67.3-42.1178.2-166.710.4000111.6K445 M587 S588 Q589 C590 N595 E596K445-N592 WeakPolarHBondContact CD-OD1 3.24Å; K445-N592 WeakPolarHBondContact CE-OD1 3.15Å; K445-N592 PolarHBondContact NZ-OD1 2.88Å; M587-N592 HydrophobicContact CE-CB 4.21Å; S588-N592 PolarHBondContact O-N 3.27Å; Q589-N592 WeakPolarHBondContact O-CB 3.38Å; Q589-N592 PolarHBondContact O-N 3.24Å; C590-N592 VanDerWaalsContact C-N 3.28Å; C590-N592 PolarHBondContact O-N 3.14Å; N592-N595 PolarHBondContact O-N 3.27Å; N592-E596 PolarHBondContact O-N 2.88Å
593M86.5Confident80.4Confident121 Ų12158.9 Ų58.960%0.59631%0.306SS*.Hα-helixtrans-65-42.5174.4-69.7-171.3-58.300112Q589 C590 N595 E596 Q597Q589-M593 WeakPolarHBondContact O-CG 3.35Å; Q589-M593 PolarHBondContact O-N 2.96Å; C590-M593 PolarHBondContact O-N 2.88Å; M593-N595 VanDerWaalsContact C-N 3.34Å; M593-N595 PolarHBondContact O-N 2.85Å; M593-E596 PolarHBondContact O-N 2.93Å; M593-Q597 WeakPolarHBondContact O-CB 3.49Å; M593-Q597 PolarHBondContact O-N 3.47Å
594K91.6Very high82Confident132 Ų13258 Ų5857%0.57430%0.302SS*.Hα-helixtrans-58.8-43.2177-75179.4178.7-177.20112.6C590 S591 Q597 L598C590-K594 WeakPolarHBondContact O-CG 3.47Å; C590-K594 PolarHBondContact O-N 3.22Å; S591-K594 PolarHBondContact O-N 3.14Å; K594-Q597 PolarHBondContact O-N 3Å; K594-L598 WeakPolarHBondContact O-CB 3.23Å; K594-L598 PolarHBondContact O-N 3.13Å
595N93.2Very high84Confident16 Ų1655.1 Ų55.19%0.08629%0.286CS..Hα-helixtrans-65.9-40.2177.7-76.2-12.4000112.2G454 V573 A574 M587 S591 N592 M593 L598 L599G454-N595 WeakPolarHBondContact CA-OD1 3.23Å; V573-N595 HydrophobicContact CG1-CB 4.12Å; V573-N595 HydrophobicContact CG2-CB 3.83Å; A574-N595 PolarHBondContact O-ND2 2.9Å; M587-N595 VanDerWaalsContact CE-ND2 3.28Å; M587-N595 WeakPolarHBondContact CE-ND2 3.32Å; S591-N595 PolarHBondContact O-N 3.28Å; S591-N595 VanDerWaalsContact O-N 3.13Å; N592-N595 PolarHBondContact O-N 3.27Å; M593-N595 VanDerWaalsContact C-N 3.34Å; M593-N595 PolarHBondContact O-N 2.85Å; N595-L598 WeakPolarHBondContact O-CB 3.36Å; N595-L598 PolarHBondContact O-N 2.8Å; N595-L599 PolarHBondContact O-N 3.23Å; N595-L599 VanDerWaalsContact O-N 3.08Å
596E93Very high85.9Confident15 Ų1550.5 Ų50.57%0.0726%0.263CS..Hα-helixtrans-65.4-44.2176.6-169.7168.6-87.700111.6R371 K445 N592 M593 L598 L599 F600R371-E596 IonicContact CZ-OE1 3.67Å; R371-E596 IonicContact CZ-OE2 2.8Å; R371-E596 VanDerWaalsContact CZ-OE2 3.24Å; R371-E596 IonicContact NE-OE2 2.72Å; R371-E596 PolarHBondContact NE-OE2 3.41Å; R371-E596 VanDerWaalsContact NH2-CD 3.32Å; R371-E596 IonicContact NH2-OE1 3.66Å; R371-E596 PolarHBondContact NH2-OE1 2.92Å; R371-E596 IonicContact NH2-OE2 3.51Å; R371-E596 PolarHBondContact NH2-OE2 3Å; K445-E596 IonicContact NZ-OE1 3.25Å; K445-E596 PolarHBondContact NZ-OE1 3.08Å; N592-E596 PolarHBondContact O-N 2.88Å; M593-E596 PolarHBondContact O-N 2.93Å; E596-L598 VanDerWaalsContact C-N 3.32Å; E596-L598 PolarHBondContact O-N 3.14Å; E596-L599 WeakPolarHBondContact O-CB 3.45Å; E596-L599 PolarHBondContact O-N 3.43Å; E596-F600 HydrophobicContact CG-CD1 4.43Å; E596-F600 HydrophobicContact CG-CE1 3.84Å; E596-F600 HydrophobicContact CG-CE2 3.92Å; E596-F600 HydrophobicContact CG-CZ 3.56Å; E596-F600 WeakPolarHBondContact O-CD1 3.5Å; E596-F600 WeakPolarHBondContact O-CG 3.39Å; E596-F600 PolarHBondContact O-N 3.12Å
597Q94.5Very high87.6Confident94 Ų9445.4 Ų45.444%0.43924%0.24SC..Hα-helixtrans-60.5-40.9174.5-171.9175.115.500112.2Y375 M593 K594 L599 F600 N601Y375-Q597 HydrophobicContact CE2-CG 3.84Å; Y375-Q597 VanDerWaalsContact OH-CG 3.31Å; Y375-Q597 WeakPolarHBondContact OH-CG 3.28Å; M593-Q597 WeakPolarHBondContact O-CB 3.49Å; M593-Q597 PolarHBondContact O-N 3.47Å; K594-Q597 PolarHBondContact O-N 3Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.38Å; Q597-F600 PolarHBondContact O-N 3.42Å; Q597-N601 PolarHBondContact O-N 3.25Å; Q597-N601 PolarHBondContact O-ND2 3.37Å
598L95.9Very high88.9Confident38 Ų3846.9 Ų46.920%0.19925%0.247CC..Hα-helixtrans-59.6-44.5175-178.263.3000111.8G454 I456 V503 V573 K594 N595 E596 N601 V602G454-L598 WeakPolarHBondContact O-CD2 3.38Å; I456-L598 HydrophobicContact CD1-CD2 4.36Å; I456-L598 HydrophobicContact CD1-CG 4.19Å; I456-L598 HydrophobicContact CG1-CD2 4.32Å; I456-L598 HydrophobicContact CG1-CG 4.36Å; V503-L598 HydrophobicContact CB-CD1 4.35Å; V503-L598 HydrophobicContact CG1-CD1 3.72Å; V503-L598 HydrophobicContact CG1-CD2 4.07Å; V503-L598 HydrophobicContact CG1-CG 4.13Å; V503-L598 HydrophobicContact CG2-CD1 3.62Å; V573-L598 HydrophobicContact CG2-CD2 4.48Å; K594-L598 WeakPolarHBondContact O-CB 3.23Å; K594-L598 PolarHBondContact O-N 3.13Å; N595-L598 WeakPolarHBondContact O-CB 3.36Å; N595-L598 PolarHBondContact O-N 2.8Å; E596-L598 VanDerWaalsContact C-N 3.32Å; E596-L598 PolarHBondContact O-N 3.14Å; L598-N601 PolarHBondContact O-N 2.99Å; L598-V602 PolarHBondContact O-N 3.39Å
599L96.6Very high90Very high4 Ų447.2 Ų47.22%0.02124%0.24CC..Hα-helixtrans-61.4-43.6175.5175.869.9000111.5V443 G444 I571 V573 N595 E596 Q597 N601 V602 A603V443-L599 HydrophobicContact CB-CD1 4.41Å; V443-L599 HydrophobicContact CB-CD2 4.28Å; G444-L599 VanDerWaalsContact N-CD2 3.3Å; I571-L599 HydrophobicContact CB-CD1 4.35Å; I571-L599 HydrophobicContact CG2-CD1 3.73Å; V573-L599 HydrophobicContact CB-CB 4.33Å; V573-L599 HydrophobicContact CG1-CB 4.11Å; V573-L599 HydrophobicContact CG1-CD2 4.38Å; N595-L599 PolarHBondContact O-N 3.23Å; N595-L599 VanDerWaalsContact O-N 3.08Å; E596-L599 WeakPolarHBondContact O-CB 3.45Å; E596-L599 PolarHBondContact O-N 3.43Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.38Å; L599-N601 VanDerWaalsContact C-N 3.34Å; L599-V602 PolarHBondContact O-N 3.25Å; L599-A603 PolarHBondContact O-N 3.03Å
600F95.9Very high91Very high7 Ų740.8 Ų40.83%0.03121%0.211CC..Hα-helixtrans-66.9-35.3179.1-64.9-5.9000112.3R371 M372 Y375 E596 Q597 A603 T604R371-F600 HydrophobicContact CB-CE2 3.93Å; R371-F600 HydrophobicContact CB-CZ 4.26Å; M372-F600 HydrophobicContact CB-CD1 4.45Å; M372-F600 HydrophobicContact CB-CE1 3.94Å; M372-F600 HydrophobicContact CB-CE2 4.35Å; M372-F600 HydrophobicContact CB-CZ 3.88Å; M372-F600 HydrophobicContact CE-CD1 3.52Å; M372-F600 HydrophobicContact CE-CE1 3.88Å; M372-F600 HydrophobicContact CE-CG 4.37Å; M372-F600 HydrophobicContact CG-CD1 4.48Å; M372-F600 HydrophobicContact CG-CE1 4.37Å; M372-F600 HydrophobicContact SD-CB 3.96Å; M372-F600 HydrophobicContact SD-CD1 3.28Å; M372-F600 WeakPolarHBondContact SD-CD1 3.18Å; M372-F600 HydrophobicContact SD-CD2 4.31Å; M372-F600 HydrophobicContact SD-CE1 3.72Å; M372-F600 HydrophobicContact SD-CG 3.61Å; M372-F600 HydrophobicContact SD-CZ 4.39Å; Y375-F600 HydrophobicContact CD1-CB 3.46Å; Y375-F600 VanDerWaalsContact CD1-CB 3.46Å; Y375-F600 HydrophobicContact CD1-CD2 4.27Å; Y375-F600 HydrophobicContact CD1-CG 4.34Å; Y375-F600 HydrophobicContact CD2-CB 4.37Å; Y375-F600 AromaticContact CD2-CD2 3.95Å; Y375-F600 HydrophobicContact CD2-CD2 3.95Å; Y375-F600 HydrophobicContact CE1-CB 3.61Å; Y375-F600 HydrophobicContact CG-CB 3.85Å; Y375-F600 AromaticContact CG-CD2 3.75Å; Y375-F600 HydrophobicContact CG-CD2 3.75Å; Y375-F600 HydrophobicContact CG-CG 4.27Å; E596-F600 HydrophobicContact CG-CD1 4.43Å; E596-F600 HydrophobicContact CG-CE1 3.84Å; E596-F600 HydrophobicContact CG-CE2 3.92Å; E596-F600 HydrophobicContact CG-CZ 3.56Å; E596-F600 WeakPolarHBondContact O-CD1 3.5Å; E596-F600 WeakPolarHBondContact O-CG 3.39Å; E596-F600 PolarHBondContact O-N 3.12Å; Q597-F600 PolarHBondContact O-N 3.42Å; F600-A603 PolarHBondContact O-N 3.48Å; F600-T604 WeakPolarHBondContact O-CB 3.5Å; F600-T604 PolarHBondContact O-N 3.19Å; F600-T604 PolarHBondContact O-OG1 2.88Å
601N95.9Very high91.6Very high50 Ų5038.8 Ų38.827%0.26720%0.196SC..Hα-helixtrans-61-45.8172.5-75.4-35000111.9Y375 M501 Q597 L598 L599 T604 G605Y375-N601 WeakPolarHBondContact CE1-OD1 3.25Å; Y375-N601 VanDerWaalsContact OH-CG 3.23Å; Y375-N601 PolarHBondContact OH-OD1 2.71Å; M501-N601 HydrophobicContact CE-CB 3.43Å; M501-N601 VanDerWaalsContact CE-CB 3.43Å; Q597-N601 PolarHBondContact O-N 3.25Å; Q597-N601 PolarHBondContact O-ND2 3.37Å; L598-N601 PolarHBondContact O-N 2.99Å; L599-N601 VanDerWaalsContact C-N 3.34Å; N601-T604 PolarHBondContact O-N 2.99Å; N601-G605 PolarHBondContact O-N 3.28Å
602V96.4Very high90.8Very high0 Ų038.1 Ų38.10%019%0.191CC..Hα-helixtrans-65.3-40.5177.61730000111.4I456 V497 M501 I571 L598 L599 T604 G605 L606I456-V602 HydrophobicContact CD1-CG2 4.32Å; I456-V602 HydrophobicContact CG1-CG2 4.14Å; V497-V602 HydrophobicContact CG1-CG1 4.39Å; M501-V602 HydrophobicContact CE-CG2 4.3Å; M501-V602 HydrophobicContact SD-CG2 4.25Å; I571-V602 HydrophobicContact CG2-CG1 4.32Å; L598-V602 PolarHBondContact O-N 3.39Å; L599-V602 PolarHBondContact O-N 3.25Å; V602-T604 VanDerWaalsContact C-N 3.33Å; V602-T604 PolarHBondContact O-N 3.12Å; V602-G605 PolarHBondContact O-N 3.3Å; V602-L606 HydrophobicContact CG1-CD1 4.48Å; V602-L606 WeakPolarHBondContact O-CB 3.44Å; V602-L606 PolarHBondContact O-N 3.32Å
603A93.6Very high89.5Confident1 Ų141.2 Ų41.21%0.00821%0.214CC..Hα-helixtrans-60.7-42.5174.300000112.1F361 M372 L599 F600 L606 I607F361-A603 HydrophobicContact CD1-CB 4.21Å; F361-A603 HydrophobicContact CE1-CB 3.52Å; F361-A603 HydrophobicContact CZ-CB 4.03Å; M372-A603 HydrophobicContact CE-CB 3.5Å; M372-A603 VanDerWaalsContact CE-CB 3.5Å; M372-A603 HydrophobicContact SD-CB 4.21Å; L599-A603 PolarHBondContact O-N 3.03Å; F600-A603 PolarHBondContact O-N 3.48Å; A603-L606 WeakPolarHBondContact O-CB 3.45Å; A603-L606 PolarHBondContact O-N 3.03Å; A603-I607 WeakPolarHBondContact O-CG1 3.1Å; A603-I607 PolarHBondContact O-N 3.02Å
604T93.3Very high87.8Confident6 Ų640.8 Ų40.84%0.03722%0.219CC..Hα-helixtrans-66.2-48.5177.7-51.30000111R379 L380 F600 N601 V602 L606 I607 E608R379-T604 HydrophobicContact CB-CG2 4.21Å; L380-T604 HydrophobicContact CD2-CG2 4.23Å; F600-T604 WeakPolarHBondContact O-CB 3.5Å; F600-T604 PolarHBondContact O-N 3.19Å; F600-T604 PolarHBondContact O-OG1 2.88Å; N601-T604 PolarHBondContact O-N 2.99Å; V602-T604 VanDerWaalsContact C-N 3.33Å; V602-T604 PolarHBondContact O-N 3.12Å; T604-L606 PolarHBondContact O-N 3.35Å; T604-I607 WeakPolarHBondContact O-CA 3.36Å; T604-I607 WeakPolarHBondContact O-CB 3.33Å; T604-I607 PolarHBondContact O-N 2.91Å; T604-E608 WeakPolarHBondContact O-CG 3.42Å; T604-E608 PolarHBondContact O-N 2.92Å
605G94.3Very high85.8Confident12 Ų1237.8 Ų37.812%0.12421%0.207CC..Hα-helixtrans-61.1-29.8177.600000113.4N601 V602 K609N601-G605 PolarHBondContact O-N 3.28Å; V602-G605 PolarHBondContact O-N 3.3Å; G605-K609 VanDerWaalsContact O-CB 3.32Å; G605-K609 WeakPolarHBondContact O-CB 3.29Å; G605-K609 PolarHBondContact O-N 3.48Å
606L94.1Very high83.2Confident0 Ų041.7 Ų41.70%022%0.221CC..Hα-helixtrans-66.5-40.7171-90.6170.4000113.1F441 Q493 A494 V497 I571 V602 A603 T604 K609 L610F441-L606 HydrophobicContact CD1-CD1 4.38Å; F441-L606 HydrophobicContact CE1-CD1 4.04Å; Q493-L606 HydrophobicContact CB-CD2 4.09Å; A494-L606 HydrophobicContact CB-CD1 3.84Å; A494-L606 HydrophobicContact CB-CD2 4.04Å; A494-L606 HydrophobicContact CB-CG 4.35Å; V497-L606 HydrophobicContact CB-CG 4.49Å; V497-L606 HydrophobicContact CG2-CD2 4Å; V497-L606 HydrophobicContact CG2-CG 4.05Å; I571-L606 HydrophobicContact CD1-CD1 3.2Å; V602-L606 HydrophobicContact CG1-CD1 4.48Å; V602-L606 WeakPolarHBondContact O-CB 3.44Å; V602-L606 PolarHBondContact O-N 3.32Å; A603-L606 WeakPolarHBondContact O-CB 3.45Å; A603-L606 PolarHBondContact O-N 3.03Å; T604-L606 PolarHBondContact O-N 3.35Å; L606-K609 PolarHBondContact O-N 3.1Å; L606-L610 HydrophobicContact CD2-CD1 4.45Å; L606-L610 VanDerWaalsContact O-CB 3.32Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 WeakPolarHBondContact O-CD1 3.47Å; L606-L610 WeakPolarHBondContact O-CG 3.42Å; L606-L610 PolarHBondContact O-N 3.34Å; L606-L610 VanDerWaalsContact O-N 3.1Å
607I92.1Very high80.8Confident1 Ų144.3 Ų44.31%0.00525%0.252CS..Hα-helixtrans-61.1-51174.6-64.9161.1000109.3F359 F361 I376 L380 V407 A603 T604 K609 L610 L611F359-I607 HydrophobicContact CD1-CG1 4.11Å; F359-I607 HydrophobicContact CD2-CG1 4.21Å; F359-I607 HydrophobicContact CD2-CG2 3.97Å; F359-I607 HydrophobicContact CE1-CG1 4.44Å; F359-I607 HydrophobicContact CE2-CB 4.42Å; F359-I607 HydrophobicContact CE2-CG2 3.67Å; F359-I607 HydrophobicContact CG-CG1 4.01Å; F359-I607 HydrophobicContact CZ-CB 4.42Å; F359-I607 HydrophobicContact CZ-CG2 4.03Å; F361-I607 HydrophobicContact CE2-CD1 3.64Å; F361-I607 HydrophobicContact CE2-CG1 3.95Å; F361-I607 HydrophobicContact CZ-CD1 3.83Å; F361-I607 HydrophobicContact CZ-CG1 3.87Å; I376-I607 HydrophobicContact CD1-CD1 3.84Å; I376-I607 HydrophobicContact CG1-CD1 4.28Å; I376-I607 HydrophobicContact CG2-CD1 4.23Å; L380-I607 HydrophobicContact CD1-CD1 4.37Å; L380-I607 HydrophobicContact CD1-CG2 3.79Å; L380-I607 HydrophobicContact CD2-CG2 4.47Å; V407-I607 HydrophobicContact CG2-CD1 3.96Å; A603-I607 WeakPolarHBondContact O-CG1 3.1Å; A603-I607 PolarHBondContact O-N 3.02Å; T604-I607 WeakPolarHBondContact O-CA 3.36Å; T604-I607 WeakPolarHBondContact O-CB 3.33Å; T604-I607 PolarHBondContact O-N 2.91Å; I607-K609 VanDerWaalsContact C-N 3.28Å; I607-K609 PolarHBondContact O-N 3.05Å; I607-L610 PolarHBondContact O-N 3.3Å; I607-L610 VanDerWaalsContact O-N 3.14Å; I607-L611 HydrophobicContact CG2-CD1 3.59Å; I607-L611 HydrophobicContact CG2-CG 4.1Å; I607-L611 WeakPolarHBondContact O-CB 3.45Å; I607-L611 WeakPolarHBondContact O-CG 3.34Å; I607-L611 PolarHBondContact O-N 3.36Å
608E90.8Very high77.9Confident78 Ų7849.8 Ų49.836%0.36428%0.278SS..Hα-helixtrans-59.2-38.8-178.9-61.9-179.9133.600112.4L380 T604 Y616L380-E608 HydrophobicContact CD2-CG 3.97Å; T604-E608 WeakPolarHBondContact O-CG 3.42Å; T604-E608 PolarHBondContact O-N 2.92Å; E608-Y616 HydrophobicContact CB-CE2 4.27Å; E608-Y616 HydrophobicContact CG-CE2 4.03Å; E608-Y616 PolarHBondContact OE1-OH 3.03Å
609K90.4Very high77Confident69 Ų6950.4 Ų50.430%0.328%0.282SS..Hα-helixtrans-71-32.8178.5-168.4176-161.980.20113.4Q493 V497 E500 G605 L606 I607Q493-K609 VanDerWaalsContact OE1-CD 3.27Å; V497-K609 HydrophobicContact CG2-CB 4.17Å; V497-K609 HydrophobicContact CG2-CD 3.56Å; E500-K609 IonicContact OE1-NZ 2.98Å; E500-K609 PolarHBondContact OE1-NZ 2.96Å; E500-K609 IonicContact OE2-NZ 2.94Å; E500-K609 PolarHBondContact OE2-NZ 2.9Å; G605-K609 VanDerWaalsContact O-CB 3.32Å; G605-K609 WeakPolarHBondContact O-CB 3.29Å; G605-K609 PolarHBondContact O-N 3.48Å; L606-K609 PolarHBondContact O-N 3.1Å; I607-K609 VanDerWaalsContact C-N 3.28Å; I607-K609 PolarHBondContact O-N 3.05Å
610L90.1Very high76Confident33 Ų3352.8 Ų52.817%0.17330%0.295CS..Hα-helixtrans-91.9-19.9-175.4-69.5171.2000113.1F359 F441 M490 Q493 L606 I607F359-L610 HydrophobicContact CE1-CB 3.7Å; F359-L610 HydrophobicContact CE1-CD1 3.92Å; F359-L610 HydrophobicContact CE1-CG 4.48Å; F359-L610 HydrophobicContact CZ-CB 3.93Å; F441-L610 HydrophobicContact CZ-CD1 3.97Å; M490-L610 HydrophobicContact CE-CD1 3.58Å; Q493-L610 HydrophobicContact CG-CD2 4.22Å; L606-L610 HydrophobicContact CD2-CD1 4.45Å; L606-L610 VanDerWaalsContact O-CB 3.32Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 WeakPolarHBondContact O-CD1 3.47Å; L606-L610 WeakPolarHBondContact O-CG 3.42Å; L606-L610 PolarHBondContact O-N 3.34Å; L606-L610 VanDerWaalsContact O-N 3.1Å; I607-L610 PolarHBondContact O-N 3.3Å; I607-L610 VanDerWaalsContact O-N 3.14Å
611L83.5Confident74.9Confident24 Ų2455.3 Ų55.313%0.12631%0.31CS..SBendtrans-71.5139.6166.9-73.8173.6000110K358 F359 I607K358-L611 HydrophobicContact CD-CD2 3.87Å; F359-L611 HydrophobicContact CE2-CD1 4.42Å; F359-L611 HydrophobicContact CE2-CD2 3.72Å; F359-L611 HydrophobicContact CE2-CG 3.84Å; F359-L611 HydrophobicContact CZ-CD2 4.09Å; F359-L611 HydrophobicContact CZ-CG 3.94Å; I607-L611 HydrophobicContact CG2-CD1 3.59Å; I607-L611 HydrophobicContact CG2-CG 4.1Å; I607-L611 WeakPolarHBondContact O-CB 3.45Å; I607-L611 WeakPolarHBondContact O-CG 3.34Å; I607-L611 PolarHBondContact O-N 3.36Å
612S64.1Low73.6Confident39 Ų3955.6 Ų55.627%0.27331%0.313SS..  trans-75.3152.7174.769.90000111.3T614 E615 Y616S612-T614 PolarHBondContact O-N 3.28Å; S612-T614 PolarHBondContact OG-OG1 3.4Å; S612-E615 WeakPolarHBondContact CB-OE2 3.45Å; S612-E615 PolarHBondContact N-OE2 3.13Å; S612-E615 WeakPolarHBondContact O-CB 3.39Å; S612-E615 PolarHBondContact O-N 2.94Å; S612-E615 WeakPolarHBondContact OG-CG 3.41Å; S612-E615 PolarHBondContact OG-OE2 3.05Å; S612-Y616 PolarHBondContact O-N 2.89Å
613P53.7Low72.2Confident125 Ų12559.1 Ų59.181%0.81233%0.332SS*.THydrogen-bonded Turntrans-57.8-33.1179.3-24.833.4000114E615 Y616P613-E615 VanDerWaalsContact C-N 3.25Å; P613-E615 PolarHBondContact O-N 3.19Å; P613-Y616 PolarHBondContact O-N 3.31Å
614T50.9Low70.8Confident112 Ų11263 Ų6369%0.68735%0.354SS*.THydrogen-bonded Turntrans-66.4-23.9175.522.80000113.6S612S612-T614 PolarHBondContact O-N 3.28Å; S612-T614 PolarHBondContact OG-OG1 3.4Å
615E50.1Low69.2Low70 Ų7067.1 Ų67.133%0.32738%0.376SS..THydrogen-bonded Turntrans-93.2-14.3-179.4-66.9162.7155.100112.7K358 S612 P613 G617K358-E615 IonicContact NZ-OE1 2.71Å; K358-E615 PolarHBondContact NZ-OE1 3.4Å; K358-E615 IonicContact NZ-OE2 3.79Å; S612-E615 WeakPolarHBondContact CB-OE2 3.45Å; S612-E615 PolarHBondContact N-OE2 3.13Å; S612-E615 WeakPolarHBondContact O-CB 3.39Å; S612-E615 PolarHBondContact O-N 2.94Å; S612-E615 WeakPolarHBondContact OG-CG 3.41Å; S612-E615 PolarHBondContact OG-OE2 3.05Å; P613-E615 VanDerWaalsContact C-N 3.25Å; P613-E615 PolarHBondContact O-N 3.19Å; E615-G617 PolarHBondContact O-N 2.77Å
616Y39.3Very low67.3Low97 Ų9771.3 Ų71.338%0.3840%0.396SS..SBendtrans-73.6-17178.4-150.2-88000112.7P381 E608 S612 P613P381-Y616 HydrophobicContact CG-CD1 4.28Å; P381-Y616 HydrophobicContact CG-CE1 3.99Å; E608-Y616 HydrophobicContact CB-CE2 4.27Å; E608-Y616 HydrophobicContact CG-CE2 4.03Å; E608-Y616 PolarHBondContact OE1-OH 3.03Å; S612-Y616 PolarHBondContact O-N 2.89Å; P613-Y616 PolarHBondContact O-N 3.31Å
617G40.8Very low65Low70 Ų7077.3 Ų77.372%0.72243%0.429SS*.  trans-111.7-0.8-174.100000116.2E615E615-G617 PolarHBondContact O-N 2.77Å
618Q34.6Very low62.6Low209 Ų20984.2 Ų84.298%0.97747%0.467SS*.  trans-99.70169.2-67.2-173.23.200108.8

Retrieved 618 of 618 residues in 583.5 ms (Link to these results)

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