A0A077Z8R2_TRITR Loading...

Neur chan LBD domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8R2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 363 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
1M75.7Confident76.7Confident48 Ų4849 Ų4924%0.23628%0.28CS..  0134.80-171.817784.100108.2L20 Y21 Y22 L104 W120 F161M1-L20 HydrophobicContact CG-CD1 4.04Å; M1-L20 HydrophobicContact CG-CD2 4.39Å; M1-L20 HydrophobicContact SD-CD1 4.42Å; M1-L20 HydrophobicContact SD-CD2 3.98Å; M1-Y21 CarbonylContact C-O 3.51Å; M1-Y21 WeakPolarHBondContact CA-O 3.31Å; M1-Y22 HydrophobicContact CB-CD2 4.22Å; M1-Y22 HydrophobicContact CG-CD2 4.23Å; M1-L104 HydrophobicContact CE-CD1 3.94Å; M1-L104 HydrophobicContact SD-CD1 4.04Å; M1-W120 HydrophobicContact CB-CZ3 4.25Å; M1-F161 HydrophobicContact CE-CB 3.87Å; M1-F161 HydrophobicContact CE-CD1 3.31Å; M1-F161 HydrophobicContact CE-CD2 3.73Å; M1-F161 HydrophobicContact CE-CE1 3.44Å; M1-F161 VanDerWaalsContact CE-CE1 3.44Å; M1-F161 HydrophobicContact CE-CE2 3.87Å; M1-F161 HydrophobicContact CE-CG 3.36Å; M1-F161 HydrophobicContact CE-CZ 3.69Å
2N76.9Confident76Confident81 Ų8151.3 Ų51.343%0.43330%0.301SS..EExtended strand (participates in β ladder)trans-127.3119.4176-176.7-6.4000108.7L20 Y21N2-L20 CarbonylContact O-C 3.54Å; N2-L20 VanDerWaalsContact O-CA 3.29Å; N2-L20 WeakPolarHBondContact O-CA 3.1Å; N2-L20 WeakPolarHBondContact O-CB 3.5Å; N2-Y21 PolarHBondContact N-O 2.97Å; N2-Y21 PolarHBondContact O-N 3.23Å
3L76.4Confident76Confident15 Ų1555.4 Ų55.48%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-88.4112.8-178.5-178.765.9000108.8I6 A18 L20 I132 Y142 F161 V163L3-I6 HydrophobicContact CD1-CG1 4.46Å; L3-I6 HydrophobicContact CD2-CD1 4.18Å; L3-I6 HydrophobicContact CD2-CG1 4.13Å; L3-A18 HydrophobicContact CD1-CB 3.91Å; L3-L20 HydrophobicContact CD1-CB 4.11Å; L3-I132 HydrophobicContact CB-CD1 4.06Å; L3-I132 HydrophobicContact CD2-CD1 3.22Å; L3-I132 HydrophobicContact CG-CD1 3.4Å; L3-Y142 HydrophobicContact CD2-CE1 4.11Å; L3-F161 HydrophobicContact CD2-CE1 4.3Å; L3-F161 HydrophobicContact CD2-CZ 4.25Å; L3-V163 HydrophobicContact CD2-CG2 4.16Å
4I76.7Confident76.1Confident53 Ų5360.4 Ų60.427%0.27234%0.337SS..EExtended strand (participates in β ladder)trans-76.2-53.2-176.1-54.5167.6000109.8E19 Y21I4-E19 HydrophobicContact CB-CB 4.23Å; I4-E19 WeakPolarHBondContact CB-O 3.47Å; I4-E19 HydrophobicContact CD1-CB 4.26Å; I4-E19 PolarHBondContact N-O 3.32Å; I4-Y21 HydrophobicContact CD1-CD2 3.45Å; I4-Y21 VanDerWaalsContact CD1-CD2 3.45Å; I4-Y21 HydrophobicContact CD1-CE1 4.44Å; I4-Y21 HydrophobicContact CD1-CE2 3.18Å; I4-Y21 HydrophobicContact CD1-CG 4.19Å; I4-Y21 HydrophobicContact CG1-CD2 3.55Å; I4-Y21 HydrophobicContact CG1-CE2 3.61Å
5S77.1Confident76.3Confident40 Ų4061.7 Ų61.728%0.2834%0.335SS..EExtended strand (participates in β ladder)trans-160.2156.3-178.967.70000111.1A18 E19S5-A18 WeakPolarHBondContact O-CA 3.38Å; S5-E19 PolarHBondContact N-O 3.37Å; S5-E19 PolarHBondContact O-N 2.97Å
6I79.3Confident76.5Confident11 Ų1158.8 Ų58.86%0.05632%0.318CS..EExtended strand (participates in β ladder)trans-108.9112.1164.9-57.1171.6000105.5L3 I9 F16 T17 A18 I132 L134 V163 L165L3-I6 HydrophobicContact CD1-CG1 4.46Å; L3-I6 HydrophobicContact CD2-CD1 4.18Å; L3-I6 HydrophobicContact CD2-CG1 4.13Å; I6-I9 HydrophobicContact CG2-CD1 4.34Å; I6-I9 HydrophobicContact CG2-CG1 3.96Å; I6-F16 HydrophobicContact CG2-CB 4.41Å; I6-F16 HydrophobicContact CG2-CD2 4.18Å; I6-T17 CarbonylContact C-O 3.56Å; I6-T17 WeakPolarHBondContact CA-O 3.43Å; I6-T17 WeakPolarHBondContact CG2-O 3.31Å; I6-A18 HydrophobicContact CG1-CB 4.43Å; I6-I132 HydrophobicContact CB-CG2 4.18Å; I6-I132 HydrophobicContact CD1-CG2 4.19Å; I6-I132 HydrophobicContact CG1-CG2 4.04Å; I6-L134 HydrophobicContact CB-CD1 4.12Å; I6-L134 HydrophobicContact CB-CD2 3.98Å; I6-L134 HydrophobicContact CB-CG 4.32Å; I6-L134 HydrophobicContact CD1-CD1 4.33Å; I6-L134 HydrophobicContact CG2-CD2 3.75Å; I6-L134 WeakPolarHBondContact O-CD2 3.38Å; I6-V163 HydrophobicContact CD1-CG1 4.46Å; I6-L165 HydrophobicContact CD1-CD1 4.45Å; I6-L165 HydrophobicContact CD1-CD2 4.15Å
7S78Confident76.7Confident70 Ų7056.4 Ų56.449%0.4931%0.306SS..EExtended strand (participates in β ladder)trans-82.1-40.5-169.2550000112.7T17S7-T17 PolarHBondContact N-O 3.49Å; S7-T17 WeakPolarHBondContact OG-CB 3.38Å; S7-T17 WeakPolarHBondContact OG-CG2 3.39Å; S7-T17 PolarHBondContact OG-O 3.47Å
8S77.5Confident76.9Confident61 Ų6153.3 Ų53.343%0.42729%0.289SS..EExtended strand (participates in β ladder)trans-149.4144.2179.561.10000111.9F16 T17S8-F16 CarbonylContact O-C 3.6Å; S8-F16 VanDerWaalsContact O-CA 3.23Å; S8-F16 WeakPolarHBondContact O-CA 3.46Å; S8-T17 PolarHBondContact O-N 3.46Å; S8-T17 PolarHBondContact OG-OG1 3.09Å
9I78.2Confident76.9Confident42 Ų4253.9 Ų53.922%0.21529%0.29CS..EExtended strand (participates in β ladder)trans-122.9118.2171.5-59173.6000107.4I6 E11 F16 L134 F137 L165I6-I9 HydrophobicContact CG2-CD1 4.34Å; I6-I9 HydrophobicContact CG2-CG1 3.96Å; I9-E11 HydrophobicContact CG2-CG 4.37Å; I9-F16 HydrophobicContact CG1-CB 4.01Å; I9-L134 HydrophobicContact CD1-CD1 4.42Å; I9-L134 HydrophobicContact CD1-CD2 3.52Å; I9-L134 HydrophobicContact CG1-CD2 3.76Å; I9-F137 HydrophobicContact CB-CE2 4.49Å; I9-F137 HydrophobicContact CD1-CB 4.33Å; I9-F137 HydrophobicContact CD1-CD2 3.74Å; I9-F137 HydrophobicContact CD1-CE2 4.22Å; I9-F137 HydrophobicContact CD1-CG 4.06Å; I9-F137 HydrophobicContact CG2-CE2 4.43Å; I9-L165 HydrophobicContact CD1-CD1 3.46Å; I9-L165 VanDerWaalsContact CD1-CD1 3.46Å
10D76.6Confident77Confident58 Ų5851.2 Ų51.231%0.3128%0.275SS..EExtended strand (participates in β ladder)trans-103101.4170.6-175.2-8000109.4S12 Q13 M14 R15D10-S12 VanDerWaalsContact C-N 3.25Å; D10-S12 PolarHBondContact O-N 3.13Å; D10-S12 WeakPolarHBondContact OD1-CA 3.49Å; D10-S12 VanDerWaalsContact OD1-CB 3.31Å; D10-S12 WeakPolarHBondContact OD1-CB 3.35Å; D10-S12 PolarHBondContact OD1-N 3.43Å; D10-S12 PolarHBondContact OD1-OG 3.31Å; D10-S12 PolarHBondContact OD2-OG 3.08Å; D10-Q13 PolarHBondContact OD1-N 3.48Å; D10-Q13 VanDerWaalsContact OD2-CG 3.25Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.46Å; D10-M14 CarbonylContact O-C 3.5Å; D10-M14 WeakPolarHBondContact O-CA 3.42Å; D10-M14 PolarHBondContact O-N 3.05Å; D10-R15 PolarHBondContact N-O 3Å; D10-R15 PolarHBondContact O-N 3.44Å
11E71.6Confident77Confident60 Ų6052.9 Ų52.928%0.2828%0.278SS..THydrogen-bonded Turntrans-69.1-24.9177.6-57.3-179.8-138.500113.3I9 M14 F137 R167 P221I9-E11 HydrophobicContact CG2-CG 4.37Å; E11-M14 PolarHBondContact O-N 3.25Å; E11-F137 HydrophobicContact CG-CZ 4.41Å; E11-F137 WeakPolarHBondContact OE1-CZ 3.35Å; E11-R167 IonicContact OE1-CZ 3.59Å; E11-R167 IonicContact OE1-NH1 2.68Å; E11-R167 PolarHBondContact OE1-NH1 3.3Å; E11-R167 IonicContact OE1-NH2 2.62Å; E11-R167 PolarHBondContact OE1-NH2 3.01Å; E11-R167 IonicContact OE2-CZ 2.84Å; E11-R167 IonicContact OE2-NH1 3.71Å; E11-R167 IonicContact OE2-NH2 3.21Å; E11-R167 PolarHBondContact OE2-NH2 3.39Å; E11-P221 HydrophobicContact CB-CB 4.1Å; E11-P221 HydrophobicContact CB-CG 3.82Å; E11-P221 WeakPolarHBondContact O-CB 3.25Å
12S68.6Low77.2Confident77 Ų7751.6 Ų51.654%0.53827%0.271SS..THydrogen-bonded Turntrans-73.6-38-176.376.90000111.4D10 P221D10-S12 VanDerWaalsContact C-N 3.25Å; D10-S12 PolarHBondContact O-N 3.13Å; D10-S12 WeakPolarHBondContact OD1-CA 3.49Å; D10-S12 VanDerWaalsContact OD1-CB 3.31Å; D10-S12 WeakPolarHBondContact OD1-CB 3.35Å; D10-S12 PolarHBondContact OD1-N 3.43Å; D10-S12 PolarHBondContact OD1-OG 3.31Å; D10-S12 PolarHBondContact OD2-OG 3.08Å; S12-P221 VanDerWaalsContact CA-CB 3.46Å
13Q75.6Confident77.6Confident104 Ų10450.6 Ų50.649%0.48626%0.264SS..THydrogen-bonded Turntrans-94.1-4.1175.2-61.6-170.4-14.400113D10 R15D10-Q13 PolarHBondContact OD1-N 3.48Å; D10-Q13 VanDerWaalsContact OD2-CG 3.25Å; D10-Q13 WeakPolarHBondContact OD2-CG 3.46Å; Q13-R15 HydrophobicContact CB-CB 4.44Å; Q13-R15 HydrophobicContact CB-CG 3.99Å; Q13-R15 WeakPolarHBondContact O-CG 3.45Å
14M77.3Confident78.2Confident126 Ų12650.7 Ų50.762%0.62126%0.264SS*.THydrogen-bonded Turntrans55.848.6-172.4-57.8-176.3176.700112.2D10 E11 A101 V223D10-M14 CarbonylContact O-C 3.5Å; D10-M14 WeakPolarHBondContact O-CA 3.42Å; D10-M14 PolarHBondContact O-N 3.05Å; E11-M14 PolarHBondContact O-N 3.25Å; M14-A101 WeakPolarHBondContact O-CA 3.35Å; M14-V223 HydrophobicContact CE-CG1 4.4Å
15R79Confident78.9Confident80 Ų8054.5 Ų54.530%0.30228%0.276SS..EExtended strand (participates in β ladder)trans-127.5147.6-175.2-65.9172.3-172.1-169.7-1.7111.3D10 Q13 L65 Q99 Q100D10-R15 PolarHBondContact N-O 3Å; D10-R15 PolarHBondContact O-N 3.44Å; Q13-R15 HydrophobicContact CB-CB 4.44Å; Q13-R15 HydrophobicContact CB-CG 3.99Å; Q13-R15 WeakPolarHBondContact O-CG 3.45Å; R15-L65 HydrophobicContact CG-CD1 3.8Å; R15-L65 VanDerWaalsContact CZ-CD1 3.5Å; R15-Q99 HydrophobicContact CB-CB 4.17Å; R15-Q99 HydrophobicContact CB-CG 4.49Å; R15-Q99 VanDerWaalsContact CD-OE1 3.24Å; R15-Q99 HydrophobicContact CG-CB 4.3Å; R15-Q100 CarbonylContact C-O 3.35Å; R15-Q100 VanDerWaalsContact C-O 3.3Å; R15-Q100 WeakPolarHBondContact CA-O 3.49Å
16F79.2Confident79.6Confident15 Ų1554.1 Ų54.17%0.06627%0.268CS..EExtended strand (participates in β ladder)trans-137.4150.316974.6-89000110.6I6 S8 I9 A18 Q99 Q100I6-F16 HydrophobicContact CG2-CB 4.41Å; I6-F16 HydrophobicContact CG2-CD2 4.18Å; S8-F16 CarbonylContact O-C 3.6Å; S8-F16 VanDerWaalsContact O-CA 3.23Å; S8-F16 WeakPolarHBondContact O-CA 3.46Å; I9-F16 HydrophobicContact CG1-CB 4.01Å; F16-A18 HydrophobicContact CD2-CB 3.92Å; F16-A18 HydrophobicContact CE2-CB 3.66Å; F16-Q99 CarbonylContact O-C 3.59Å; F16-Q99 WeakPolarHBondContact O-CA 3.08Å; F16-Q99 PolarHBondContact O-N 3.44Å; F16-Q100 HydrophobicContact CD1-CB 3.92Å; F16-Q100 WeakPolarHBondContact CD1-O 3.19Å; F16-Q100 HydrophobicContact CD2-CB 4.48Å; F16-Q100 HydrophobicContact CE1-CB 3.41Å; F16-Q100 VanDerWaalsContact CE1-CB 3.41Å; F16-Q100 WeakPolarHBondContact CE1-O 3.44Å; F16-Q100 HydrophobicContact CE2-CB 4.08Å; F16-Q100 HydrophobicContact CG-CB 4.41Å; F16-Q100 HydrophobicContact CZ-CB 3.53Å; F16-Q100 HydrophobicContact CZ-CG 4.39Å; F16-Q100 PolarHBondContact N-O 3.49Å; F16-Q100 PolarHBondContact O-N 2.88Å
17T81.2Confident80.2Confident18 Ų1860.7 Ų60.711%0.1129%0.292CS..EExtended strand (participates in β ladder)trans-110.5130.8176.8-63.20000107.9I6 S7 S8 F97 D98 Q99I6-T17 CarbonylContact C-O 3.56Å; I6-T17 WeakPolarHBondContact CA-O 3.43Å; I6-T17 WeakPolarHBondContact CG2-O 3.31Å; S7-T17 PolarHBondContact N-O 3.49Å; S7-T17 WeakPolarHBondContact OG-CB 3.38Å; S7-T17 WeakPolarHBondContact OG-CG2 3.39Å; S7-T17 PolarHBondContact OG-O 3.47Å; S8-T17 PolarHBondContact O-N 3.46Å; S8-T17 PolarHBondContact OG-OG1 3.09Å; T17-F97 WeakPolarHBondContact CG2-O 3.21Å; T17-D98 WeakPolarHBondContact CG2-OD1 3.48Å; T17-Q99 PolarHBondContact OG1-N 3.4Å
18A78.7Confident81Confident0 Ų058.2 Ų58.20%027%0.273CS..EExtended strand (participates in β ladder)trans-136.9139.4-175.500000111.3L3 S5 I6 F16 F97L3-A18 HydrophobicContact CD1-CB 3.91Å; S5-A18 WeakPolarHBondContact O-CA 3.38Å; I6-A18 HydrophobicContact CG1-CB 4.43Å; F16-A18 HydrophobicContact CD2-CB 3.92Å; F16-A18 HydrophobicContact CE2-CB 3.66Å; A18-F97 PolarHBondContact N-O 3.41Å; A18-F97 WeakPolarHBondContact O-CB 3.5Å; A18-F97 PolarHBondContact O-N 3.42Å; A18-F97 VanDerWaalsContact O-N 3.12Å
19E77.9Confident81.7Confident65 Ų6564.9 Ų64.930%0.30429%0.289SS..EExtended strand (participates in β ladder)trans-103.9126.6170.6-65.8-167.7-162.300109.2I4 S5 R94I4-E19 HydrophobicContact CB-CB 4.23Å; I4-E19 WeakPolarHBondContact CB-O 3.47Å; I4-E19 HydrophobicContact CD1-CB 4.26Å; I4-E19 PolarHBondContact N-O 3.32Å; S5-E19 PolarHBondContact N-O 3.37Å; S5-E19 PolarHBondContact O-N 2.97Å; E19-R94 IonicContact OE2-CZ 3.09Å; E19-R94 IonicContact OE2-NH2 3.59Å; E19-R94 PolarHBondContact OE2-NH2 3.33Å
20L77.9Confident82.4Confident0 Ų072 Ų720%031%0.313CS..EExtended strand (participates in β ladder)trans-141.7151.5178.467.582.4000112.4M1 N2 L3 Y95 F97 L104M1-L20 HydrophobicContact CG-CD1 4.04Å; M1-L20 HydrophobicContact CG-CD2 4.39Å; M1-L20 HydrophobicContact SD-CD1 4.42Å; M1-L20 HydrophobicContact SD-CD2 3.98Å; N2-L20 CarbonylContact O-C 3.54Å; N2-L20 VanDerWaalsContact O-CA 3.29Å; N2-L20 WeakPolarHBondContact O-CA 3.1Å; N2-L20 WeakPolarHBondContact O-CB 3.5Å; L3-L20 HydrophobicContact CD1-CB 4.11Å; L20-Y95 PolarHBondContact O-N 3.42Å; L20-F97 HydrophobicContact CD1-CD2 4.45Å; L20-F97 HydrophobicContact CD1-CE2 3.7Å; L20-F97 HydrophobicContact CD2-CD2 3.66Å; L20-F97 HydrophobicContact CD2-CE2 3.48Å; L20-F97 VanDerWaalsContact CD2-CE2 3.48Å; L20-F97 HydrophobicContact CG-CD2 3.76Å; L20-F97 HydrophobicContact CG-CE2 3.49Å; L20-F97 VanDerWaalsContact CG-CE2 3.49Å; L20-L104 HydrophobicContact CD2-CD1 3.49Å; L20-L104 VanDerWaalsContact CD2-CD1 3.49Å
21Y77.6Confident83.1Confident87 Ų8771.2 Ų71.234%0.34131%0.309SS..EExtended strand (participates in β ladder)trans-91.2122.6161.9-69.3-68.8000108.7M1 N2 I4 R94M1-Y21 CarbonylContact C-O 3.51Å; M1-Y21 WeakPolarHBondContact CA-O 3.31Å; N2-Y21 PolarHBondContact N-O 2.97Å; N2-Y21 PolarHBondContact O-N 3.23Å; I4-Y21 HydrophobicContact CD1-CD2 3.45Å; I4-Y21 VanDerWaalsContact CD1-CD2 3.45Å; I4-Y21 HydrophobicContact CD1-CE1 4.44Å; I4-Y21 HydrophobicContact CD1-CE2 3.18Å; I4-Y21 HydrophobicContact CD1-CG 4.19Å; I4-Y21 HydrophobicContact CG1-CD2 3.55Å; I4-Y21 HydrophobicContact CG1-CE2 3.61Å; Y21-R94 HydrophobicContact CD1-CB 4.07Å; Y21-R94 HydrophobicContact CD1-CG 4.17Å; Y21-R94 HydrophobicContact CE1-CB 3.88Å; Y21-R94 HydrophobicContact CE1-CG 3.81Å
22Y80.4Confident84Confident21 Ų2173 Ų738%0.08232%0.317CS..EExtended strand (participates in β ladder)trans-110130.2175.4-178.5-113.5000109.5M1 E24 T59 R93 Y95 L106M1-Y22 HydrophobicContact CB-CD2 4.22Å; M1-Y22 HydrophobicContact CG-CD2 4.23Å; Y22-E24 HydrophobicContact CD1-CG 3.98Å; Y22-E24 VanDerWaalsContact CE1-CD 3.43Å; Y22-E24 HydrophobicContact CE1-CG 3.17Å; Y22-E24 VanDerWaalsContact CE1-OE1 3.23Å; Y22-E24 WeakPolarHBondContact CE1-OE1 3.34Å; Y22-E24 WeakPolarHBondContact OH-CG 3.45Å; Y22-E24 PolarHBondContact OH-OE1 3.02Å; Y22-T59 HydrophobicContact CE1-CG2 4.23Å; Y22-R93 PolarHBondContact N-O 3.09Å; Y22-R93 VanDerWaalsContact N-O 3.11Å; Y22-R93 PolarHBondContact O-N 3.39Å; Y22-R93 VanDerWaalsContact O-N 3.07Å; Y22-Y95 HydrophobicContact CD1-CE2 4.28Å; Y22-L106 HydrophobicContact CD2-CD2 4.02Å; Y22-L106 HydrophobicContact CE1-CD2 4.31Å; Y22-L106 HydrophobicContact CE2-CD2 3.41Å; Y22-L106 VanDerWaalsContact CE2-CD2 3.41Å
23H85.2Confident85Confident60 Ų6070.3 Ų70.328%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-122.4127.5-176.6-64.4168.3000108.2Y25 F90 Y91 S92H23-Y25 HydrophobicContact CB-CE2 4.01Å; H23-F90 HydrophobicContact CB-CE2 3.83Å; H23-F90 AromaticContact CG-CE2 3.73Å; H23-F90 AromaticContact ND1-CE2 3.88Å; H23-Y91 WeakPolarHBondContact CA-O 3.44Å; H23-S92 PolarHBondContact CD2-OG 3.43Å; H23-S92 PolarHBondContact NE2-OG 2.96Å
24E88.6Confident85.6Confident17 Ų1769.5 Ų69.58%0.07930%0.295CS..EExtended strand (participates in β ladder)trans-111.9142.7173.5-66.5179.6144.200109.7Y22 W26 T59 Y91Y22-E24 HydrophobicContact CD1-CG 3.98Å; Y22-E24 VanDerWaalsContact CE1-CD 3.43Å; Y22-E24 HydrophobicContact CE1-CG 3.17Å; Y22-E24 VanDerWaalsContact CE1-OE1 3.23Å; Y22-E24 WeakPolarHBondContact CE1-OE1 3.34Å; Y22-E24 WeakPolarHBondContact OH-CG 3.45Å; Y22-E24 PolarHBondContact OH-OE1 3.02Å; E24-W26 HydrophobicContact CB-CE3 4.15Å; E24-W26 HydrophobicContact CB-CZ3 4.08Å; E24-T59 WeakPolarHBondContact OE1-CB 3.32Å; E24-T59 PolarHBondContact OE1-OG1 3.09Å; E24-Y91 PolarHBondContact N-O 3.41Å; E24-Y91 PolarHBondContact O-N 3.15Å
25Y90.8Very high86.1Confident133 Ų13368.3 Ų68.352%0.52228%0.284SS..EExtended strand (participates in β ladder)trans-128121.9173.1-60.7-96.8000107H23 V89 F90H23-Y25 HydrophobicContact CB-CE2 4.01Å; Y25-V89 WeakPolarHBondContact CA-O 3.37Å; Y25-F90 HydrophobicContact CD1-CB 4.18Å; Y25-F90 AromaticContact CD1-CD2 3.8Å; Y25-F90 HydrophobicContact CD1-CD2 3.8Å; Y25-F90 HydrophobicContact CD1-CG 4.48Å; Y25-F90 HydrophobicContact CE1-CB 4.08Å; Y25-F90 AromaticContact CE1-CD2 3.16Å; Y25-F90 HydrophobicContact CE1-CD2 3.16Å; Y25-F90 AromaticContact CE1-CE2 3.85Å; Y25-F90 HydrophobicContact CE1-CE2 3.85Å; Y25-F90 AromaticContact CE1-CG 3.99Å; Y25-F90 HydrophobicContact CE1-CG 3.99Å; Y25-F90 AromaticContact CE2-CD2 4Å; Y25-F90 HydrophobicContact CE2-CD2 4Å; Y25-F90 HydrophobicContact CE2-CE2 4.1Å; Y25-F90 HydrophobicContact CG-CD2 4.46Å; Y25-F90 AromaticContact CZ-CD2 3.27Å; Y25-F90 AromaticContact CZ-CE2 3.45Å; Y25-F90 VanDerWaalsContact CZ-CE2 3.45Å; Y25-F90 WeakPolarHBondContact OH-CD2 3.13Å; Y25-F90 WeakPolarHBondContact OH-CE2 3.46Å
26W92.5Very high86.5Confident31 Ų3169.1 Ų69.112%0.11730%0.297CS..EExtended strand (participates in β ladder)trans-137.7156.4169.871.297.2000109.4E24 W55 I56 P57 T88 V89 Y91E24-W26 HydrophobicContact CB-CE3 4.15Å; E24-W26 HydrophobicContact CB-CZ3 4.08Å; W26-W55 HydrophobicContact CG-CZ3 4.49Å; W26-W55 VanDerWaalsContact CZ2-O 3.24Å; W26-W55 WeakPolarHBondContact CZ2-O 3.37Å; W26-I56 HydrophobicContact CH2-CB 4.41Å; W26-I56 HydrophobicContact CH2-CG1 4.04Å; W26-I56 HydrophobicContact CH2-CG2 4.23Å; W26-I56 HydrophobicContact CZ2-CG1 4.25Å; W26-P57 HydrophobicContact CE3-CG 4.32Å; W26-T88 CarbonylContact O-C 3.59Å; W26-T88 WeakPolarHBondContact O-CA 3.36Å; W26-V89 HydrophobicContact CD2-CB 4.01Å; W26-V89 HydrophobicContact CD2-CG1 4.5Å; W26-V89 HydrophobicContact CE3-CB 4.44Å; W26-V89 HydrophobicContact CH2-CB 4.17Å; W26-V89 HydrophobicContact CH2-CG1 3.61Å; W26-V89 HydrophobicContact CZ2-CB 3.67Å; W26-V89 HydrophobicContact CZ2-CG1 3.4Å; W26-V89 VanDerWaalsContact CZ2-CG1 3.4Å; W26-V89 HydrophobicContact CZ2-CG2 4.17Å; W26-V89 HydrophobicContact CZ3-CG1 4.24Å; W26-V89 PolarHBondContact N-O 3Å; W26-V89 PolarHBondContact O-N 3.47Å; W26-Y91 HydrophobicContact CH2-CG 4.08Å; W26-Y91 HydrophobicContact CZ3-CD1 4.45Å; W26-Y91 HydrophobicContact CZ3-CG 4.12Å
27R92.6Very high86.9Confident150 Ų15077.1 Ų77.157%0.56633%0.327SS*.EExtended strand (participates in β ladder)trans-108.1116.3-180-171173.5-176.3172.31.5110.4D86R27-D86 IonicContact CZ-OD2 3.8Å; R27-D86 PolarHBondContact NE-O 3.15Å; R27-D86 IonicContact NE-OD2 3.75Å; R27-D86 PolarHBondContact NH2-O 2.83Å
28D93.5Very high87.2Confident18 Ų1880.7 Ų80.710%0.09634%0.341CS..  trans-110108.7172.8-168.6-18.5000110.2R30 L31 G87D28-R30 PolarHBondContact O-N 2.96Å; D28-R30 VanDerWaalsContact O-N 3.13Å; D28-R30 VanDerWaalsContact OD1-CB 3.26Å; D28-R30 WeakPolarHBondContact OD1-CB 3.25Å; D28-R30 WeakPolarHBondContact OD1-CG 3.5Å; D28-R30 IonicContact OD1-CZ 3.59Å; D28-R30 PolarHBondContact OD1-N 3.13Å; D28-R30 IonicContact OD1-NE 3.76Å; D28-R30 PolarHBondContact OD1-NE 3.42Å; D28-R30 IonicContact OD1-NH2 3.88Å; D28-R30 IonicContact OD2-CZ 3.77Å; D28-R30 IonicContact OD2-NE 2.71Å; D28-R30 PolarHBondContact OD2-NE 3.43Å; D28-R30 IonicContact OD2-NH2 2.79Å; D28-R30 PolarHBondContact OD2-NH2 2.92Å; D28-L31 HydrophobicContact CB-CD1 3.88Å; D28-L31 HydrophobicContact CB-CG 4.1Å; D28-L31 PolarHBondContact O-N 3.48Å; D28-L31 VanDerWaalsContact O-N 3.09Å; D28-G87 PolarHBondContact N-O 3.45Å; D28-G87 WeakPolarHBondContact O-CA 3.49Å
29R92.6Very high87.4Confident201 Ų20183.8 Ų83.876%0.75837%0.373SS*.G310 helixtrans-60.5-24.2-179.8-64.7-177.2-177.6177.51112.8L31 Q32R29-L31 PolarHBondContact O-N 2.9Å; R29-Q32 WeakPolarHBondContact O-CG 3.46Å; R29-Q32 PolarHBondContact O-N 2.97Å
30R92.7Very high87.8Confident191 Ų19186.4 Ų86.472%0.72139%0.389SS*.G310 helixtrans-71.3-18.2179.9-57.6171.9-65.8-1782.2112.6D28D28-R30 PolarHBondContact O-N 2.96Å; D28-R30 VanDerWaalsContact O-N 3.13Å; D28-R30 VanDerWaalsContact OD1-CB 3.26Å; D28-R30 WeakPolarHBondContact OD1-CB 3.25Å; D28-R30 WeakPolarHBondContact OD1-CG 3.5Å; D28-R30 IonicContact OD1-CZ 3.59Å; D28-R30 PolarHBondContact OD1-N 3.13Å; D28-R30 IonicContact OD1-NE 3.76Å; D28-R30 PolarHBondContact OD1-NE 3.42Å; D28-R30 IonicContact OD1-NH2 3.88Å; D28-R30 IonicContact OD2-CZ 3.77Å; D28-R30 IonicContact OD2-NE 2.71Å; D28-R30 PolarHBondContact OD2-NE 3.43Å; D28-R30 IonicContact OD2-NH2 2.79Å; D28-R30 PolarHBondContact OD2-NH2 2.92Å
31L91.1Very high88.2Confident42 Ų4294.6 Ų94.622%0.2242%0.42CS..G310 helixtrans-99.69.9-178.9-57.3174.6000112.9D28 R29 F33 L54 L83 V89D28-L31 HydrophobicContact CB-CD1 3.88Å; D28-L31 HydrophobicContact CB-CG 4.1Å; D28-L31 PolarHBondContact O-N 3.48Å; D28-L31 VanDerWaalsContact O-N 3.09Å; R29-L31 PolarHBondContact O-N 2.9Å; L31-F33 PolarHBondContact O-N 3.19Å; L31-L54 HydrophobicContact CD1-CD2 3.6Å; L31-L54 HydrophobicContact CD2-CD2 3.78Å; L31-L54 HydrophobicContact CG-CD2 4.34Å; L31-L83 HydrophobicContact CB-CD1 3.64Å; L31-L83 HydrophobicContact CB-CD2 4.19Å; L31-L83 HydrophobicContact CD1-CD1 4.04Å; L31-L83 HydrophobicContact CG-CD1 4.47Å; L31-V89 HydrophobicContact CD1-CG2 3.53Å
32Q91Very high88.7Confident98 Ų9892.8 Ų92.846%0.45842%0.42SS..  trans-63.6132.9173.8-75.4179.73.700110.7R29 D86R29-Q32 WeakPolarHBondContact O-CG 3.46Å; R29-Q32 PolarHBondContact O-N 2.97Å; Q32-D86 VanDerWaalsContact CG-C 3.47Å; Q32-D86 WeakPolarHBondContact CG-O 3.36Å; Q32-D86 PolarHBondContact NE2-O 2.66Å
33F89.6Confident89.2Confident20 Ų2095 Ų959%0.08844%0.436CS..  trans-135.4152-178.569.1-93.4000110.8L31 W37 F38 V44 L83 Q84 E85L31-F33 PolarHBondContact O-N 3.19Å; F33-W37 HydrophobicContact CB-CE3 3.94Å; F33-W37 HydrophobicContact CB-CZ3 4.14Å; F33-F38 HydrophobicContact CB-CE2 4.06Å; F33-F38 AromaticContact CD2-CD2 3.39Å; F33-F38 HydrophobicContact CD2-CD2 3.39Å; F33-F38 AromaticContact CD2-CE2 3.69Å; F33-F38 HydrophobicContact CD2-CE2 3.69Å; F33-F38 AromaticContact CE2-CD2 3.68Å; F33-F38 HydrophobicContact CE2-CD2 3.68Å; F33-F38 HydrophobicContact CE2-CE2 4.28Å; F33-F38 HydrophobicContact CE2-CG 4.49Å; F33-F38 HydrophobicContact CG-CD2 4.07Å; F33-F38 AromaticContact CG-CE2 3.87Å; F33-F38 HydrophobicContact CG-CE2 3.87Å; F33-V44 HydrophobicContact CE1-CG2 4.33Å; F33-V44 HydrophobicContact CE2-CG2 3.93Å; F33-V44 HydrophobicContact CZ-CB 4.44Å; F33-V44 HydrophobicContact CZ-CG2 3.63Å; F33-L83 HydrophobicContact CD1-CD2 3.75Å; F33-L83 HydrophobicContact CD1-CG 4.09Å; F33-L83 HydrophobicContact CE1-CB 4.46Å; F33-L83 HydrophobicContact CE1-CD2 3.9Å; F33-L83 HydrophobicContact CE1-CG 3.82Å; F33-Q84 WeakPolarHBondContact CE1-O 3.4Å; F33-E85 HydrophobicContact CE2-CB 4.49Å; F33-E85 HydrophobicContact CZ-CB 4.27Å; F33-E85 PolarHBondContact N-O 2.97Å
34N88.5Confident89.4Confident87 Ų8793.3 Ų93.347%0.46543%0.43SS..  trans-81.4131.4174.3-166.5-22.4000109.9T36 W37N34-T36 VanDerWaalsContact CG-OG1 3.24Å; N34-T36 PolarHBondContact O-N 3.43Å; N34-T36 PolarHBondContact OD1-N 3.4Å; N34-T36 PolarHBondContact OD1-OG1 3.36Å; N34-W37 HydrophobicContact CB-CD2 4.13Å; N34-W37 HydrophobicContact CB-CG 4.37Å; N34-W37 HydrophobicContact CB-CZ2 4.37Å; N34-W37 WeakPolarHBondContact O-CB 3.45Å; N34-W37 PolarHBondContact O-N 2.93Å
35R88.4Confident89.4Confident101 Ų10197.2 Ų97.238%0.38145%0.451SS..G310 helixtrans-49.8-32.3177.8-65.2-172.2-177.5179.55.6113W37 F38 N40 E85R35-W37 PolarHBondContact O-N 3.29Å; R35-F38 PolarHBondContact O-N 3.14Å; R35-N40 VanDerWaalsContact O-CA 3.26Å; R35-N40 WeakPolarHBondContact O-CA 3.38Å; R35-N40 PolarHBondContact O-N 3.37Å; R35-E85 WeakPolarHBondContact CG-OE2 3.41Å; R35-E85 IonicContact CZ-OE1 3.21Å; R35-E85 IonicContact CZ-OE2 3.37Å; R35-E85 VanDerWaalsContact CZ-OE2 3.31Å; R35-E85 IonicContact NE-OE1 2.74Å; R35-E85 IonicContact NE-OE2 3.79Å; R35-E85 PolarHBondContact NE-OE2 2.93Å; R35-E85 VanDerWaalsContact NH2-CD 3.3Å; R35-E85 IonicContact NH2-OE1 3.82Å; R35-E85 PolarHBondContact NH2-OE1 3.05Å; R35-E85 IonicContact NH2-OE2 2.95Å; R35-E85 PolarHBondContact NH2-OE2 3.35Å
36T87.4Confident89.2Confident96 Ų9692.9 Ų92.959%0.58944%0.437SS*.G310 helixtrans-61.4-27.4-179.955.50000113.3N34 F38N34-T36 VanDerWaalsContact CG-OG1 3.24Å; N34-T36 PolarHBondContact O-N 3.43Å; N34-T36 PolarHBondContact OD1-N 3.4Å; N34-T36 PolarHBondContact OD1-OG1 3.36Å; T36-F38 VanDerWaalsContact C-N 3.3Å; T36-F38 PolarHBondContact O-N 3.43Å
37W87.6Confident88.8Confident184 Ų18495.9 Ų95.970%0.69746%0.46SS*.G310 helixtrans-71.8-22.9-179.9-59.3-12.5000113.3F33 N34 R35F33-W37 HydrophobicContact CB-CE3 3.94Å; F33-W37 HydrophobicContact CB-CZ3 4.14Å; N34-W37 HydrophobicContact CB-CD2 4.13Å; N34-W37 HydrophobicContact CB-CG 4.37Å; N34-W37 HydrophobicContact CB-CZ2 4.37Å; N34-W37 WeakPolarHBondContact O-CB 3.45Å; N34-W37 PolarHBondContact O-N 2.93Å; R35-W37 PolarHBondContact O-N 3.29Å
38F86.1Confident88.2Confident93 Ų9391.3 Ų91.341%0.40846%0.46SS..G310 helixtrans-122.433.7-175.3-63.1-82.1000112.9F33 R35 T36 R41 V44F33-F38 HydrophobicContact CB-CE2 4.06Å; F33-F38 AromaticContact CD2-CD2 3.39Å; F33-F38 HydrophobicContact CD2-CD2 3.39Å; F33-F38 AromaticContact CD2-CE2 3.69Å; F33-F38 HydrophobicContact CD2-CE2 3.69Å; F33-F38 AromaticContact CE2-CD2 3.68Å; F33-F38 HydrophobicContact CE2-CD2 3.68Å; F33-F38 HydrophobicContact CE2-CE2 4.28Å; F33-F38 HydrophobicContact CE2-CG 4.49Å; F33-F38 HydrophobicContact CG-CD2 4.07Å; F33-F38 AromaticContact CG-CE2 3.87Å; F33-F38 HydrophobicContact CG-CE2 3.87Å; R35-F38 PolarHBondContact O-N 3.14Å; T36-F38 VanDerWaalsContact C-N 3.3Å; T36-F38 PolarHBondContact O-N 3.43Å; F38-R41 WeakPolarHBondContact O-CG 3.46Å; F38-V44 HydrophobicContact CB-CG2 3.8Å; F38-V44 HydrophobicContact CD1-CG1 4.18Å; F38-V44 HydrophobicContact CD1-CG2 3.99Å; F38-V44 HydrophobicContact CD2-CG2 3.99Å; F38-V44 HydrophobicContact CE1-CG1 4.28Å; F38-V44 HydrophobicContact CG-CG2 3.66Å
39G84.4Confident87.6Confident64 Ų6495.4 Ų95.466%0.6648%0.482SS*.THydrogen-bonded Turntrans69.738.7175.200000113.7R41G39-R41 PolarHBondContact O-N 2.96Å
40N86.3Confident87.2Confident121 Ų12186.4 Ų86.465%0.64745%0.45SS*.THydrogen-bonded Turntrans62.424-179.7-15220.5000114.6R35R35-N40 VanDerWaalsContact O-CA 3.26Å; R35-N40 WeakPolarHBondContact O-CA 3.38Å; R35-N40 PolarHBondContact O-N 3.37Å
41R86.6Confident86.7Confident172 Ų17277.9 Ų77.965%0.64942%0.42SS*.  trans-84.5134174.1-63.7-179.2-178.5-169.41.1110.3F38 G39F38-R41 WeakPolarHBondContact O-CG 3.46Å; G39-R41 PolarHBondContact O-N 2.96Å
42S87.6Confident86.3Confident49 Ų4986 Ų8634%0.34345%0.447SS..SBendtrans-81.5-17.9174.855.20000113.4E85S42-E85 PolarHBondContact O-N 3.49Å
43T89.9Confident86.1Confident68 Ų6891.7 Ų91.742%0.41747%0.465SS..EExtended strand (participates in β ladder)trans-132.5138.9179.453.20000109.8L83 Q84T43-L83 CarbonylContact C-O 3.59Å; T43-L83 WeakPolarHBondContact CA-O 3.28Å; T43-Q84 HydrophobicContact CG2-CG 4.36Å
44V90Very high86.1Confident24 Ų2492.5 Ų92.515%0.14547%0.47CS..EExtended strand (participates in β ladder)trans-126.6125.7-179.3179.20000108.5F33 F38 K82 L83F33-V44 HydrophobicContact CE1-CG2 4.33Å; F33-V44 HydrophobicContact CE2-CG2 3.93Å; F33-V44 HydrophobicContact CZ-CB 4.44Å; F33-V44 HydrophobicContact CZ-CG2 3.63Å; F38-V44 HydrophobicContact CB-CG2 3.8Å; F38-V44 HydrophobicContact CD1-CG1 4.18Å; F38-V44 HydrophobicContact CD1-CG2 3.99Å; F38-V44 HydrophobicContact CD2-CG2 3.99Å; F38-V44 HydrophobicContact CE1-CG1 4.28Å; F38-V44 HydrophobicContact CG-CG2 3.66Å; V44-K82 WeakPolarHBondContact O-CA 3.11Å; V44-L83 PolarHBondContact N-O 3.44Å; V44-L83 PolarHBondContact O-N 3Å
45D88.3Confident86.2Confident99 Ų9993.2 Ų93.253%0.52947%0.466SS..EExtended strand (participates in β ladder)trans-77.7125.1172.9-60-37.4000109H80 K82D45-H80 IonicContact OD1-NE2 2.61Å; D45-K82 WeakPolarHBondContact OD1-CE 3.49Å; D45-K82 WeakPolarHBondContact OD1-CG 3.33Å
46L86.7Confident86.1Confident42 Ų4290.5 Ų90.522%0.2246%0.459CS..PPolyproline II helixtrans-88.1148-179.8-62.5175.8000110.7A50 L54 T81 L83L46-A50 HydrophobicContact CB-CB 3.63Å; L46-A50 HydrophobicContact CD1-CB 4.14Å; L46-A50 HydrophobicContact CG-CB 4.39Å; L46-L54 HydrophobicContact CD1-CD1 3.64Å; L46-T81 WeakPolarHBondContact CB-O 3.07Å; L46-T81 HydrophobicContact CD1-CG2 3.61Å; L46-T81 HydrophobicContact CG-CG2 4.5Å; L46-T81 PolarHBondContact N-O 2.97Å; L46-L83 HydrophobicContact CD1-CB 4.13Å; L46-L83 HydrophobicContact CD2-CB 4.35Å; L46-L83 HydrophobicContact CG-CB 4.24Å
47P84.2Confident86.2Confident93 Ų9386.7 Ų86.760%0.60444%0.436SS*.PPolyproline II helixtrans-63.1155.6175.327-34.2000111.2D49 A50P47-D49 PolarHBondContact O-N 3.36Å; P47-A50 HydrophobicContact CG-CB 4.35Å; P47-A50 WeakPolarHBondContact O-CB 3.19Å; P47-A50 PolarHBondContact O-N 2.94Å
48G79.7Confident86.2Confident54 Ų5480.4 Ų80.456%0.55742%0.416SS*.THydrogen-bonded Turntrans-59.5-16.6-177.300000115.5P51G48-P51 WeakPolarHBondContact O-CD 3.25Å
49D81.9Confident86.3Confident104 Ų10476.7 Ų76.756%0.55640%0.4SS*.THydrogen-bonded Turntrans-87.6-9.5174.7-67.3-32000113.8P47 P51 R52P47-D49 PolarHBondContact O-N 3.36Å; D49-P51 VanDerWaalsContact C-CD 3.46Å; D49-R52 WeakPolarHBondContact O-CB 3.36Å; D49-R52 PolarHBondContact O-N 2.96Å
50A83.4Confident86.3Confident12 Ų1275.2 Ų75.210%0.09938%0.38CS..G310 helixtrans-59.3-39.6-179.600000113.9L46 P47 R52 R53 L54L46-A50 HydrophobicContact CB-CB 3.63Å; L46-A50 HydrophobicContact CD1-CB 4.14Å; L46-A50 HydrophobicContact CG-CB 4.39Å; P47-A50 HydrophobicContact CG-CB 4.35Å; P47-A50 WeakPolarHBondContact O-CB 3.19Å; P47-A50 PolarHBondContact O-N 2.94Å; A50-R52 PolarHBondContact O-N 2.98Å; A50-R52 VanDerWaalsContact O-N 3.07Å; A50-R53 PolarHBondContact O-N 3.18Å; A50-L54 HydrophobicContact CB-CD1 4.12Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.17Å
51P81.2Confident86.3Confident13 Ų1370.4 Ų70.48%0.08435%0.353CS..G310 helixtrans-51.5-31.6174.6-31.939.2000114.3G48 D49 R53 I56 Y91G48-P51 WeakPolarHBondContact O-CD 3.25Å; D49-P51 VanDerWaalsContact C-CD 3.46Å; P51-R53 VanDerWaalsContact C-N 3.25Å; P51-R53 PolarHBondContact O-N 3.31Å; P51-I56 HydrophobicContact CB-CD1 3.65Å; P51-Y91 HydrophobicContact CB-CE2 4.19Å; P51-Y91 HydrophobicContact CG-CE2 3.94Å
52R83.5Confident86.1Confident212 Ų21265.3 Ų65.380%0.834%0.339SS*.G310 helixtrans-71.9-16.9179.1-62.2178.7176.9-101.2-1.3113.9D49 A50D49-R52 WeakPolarHBondContact O-CB 3.36Å; D49-R52 PolarHBondContact O-N 2.96Å; A50-R52 PolarHBondContact O-N 2.98Å; A50-R52 VanDerWaalsContact O-N 3.07Å
53R86.4Confident85.9Confident218 Ų21864.7 Ų64.782%0.82333%0.332SS*.THydrogen-bonded Turntrans-111.2-9.4-177.7-59.7-177.6-172.8165.54.2112.9A50 P51A50-R53 PolarHBondContact O-N 3.18Å; P51-R53 VanDerWaalsContact C-N 3.25Å; P51-R53 PolarHBondContact O-N 3.31Å
54L89.4Confident85.4Confident37 Ų3762.9 Ų62.919%0.19432%0.324CS..SBendtrans-100.5149.2-179.3-66170000109.3L31 L46 A50 T81L31-L54 HydrophobicContact CD1-CD2 3.6Å; L31-L54 HydrophobicContact CD2-CD2 3.78Å; L31-L54 HydrophobicContact CG-CD2 4.34Å; L46-L54 HydrophobicContact CD1-CD1 3.64Å; A50-L54 HydrophobicContact CB-CD1 4.12Å; A50-L54 WeakPolarHBondContact O-CG 3.44Å; A50-L54 PolarHBondContact O-N 3.17Å; L54-T81 HydrophobicContact CD1-CG2 4.24Å
55W90.6Very high84.8Confident101 Ų10166.9 Ų66.938%0.38334%0.344SS..  trans-74.6126.1165.6178.883.1000108.3W26 P57 Y111 V116W26-W55 HydrophobicContact CG-CZ3 4.49Å; W26-W55 VanDerWaalsContact CZ2-O 3.24Å; W26-W55 WeakPolarHBondContact CZ2-O 3.37Å; W55-P57 HydrophobicContact CH2-CB 4.26Å; W55-Y111 AromaticContact CZ2-CE2 4Å; W55-Y111 HydrophobicContact CZ2-CE2 4Å; W55-Y111 AromaticContact NE1-CZ 3.92Å; W55-Y111 PolarHBondContact NE1-OH 3.43Å; W55-Y111 VanDerWaalsContact NE1-OH 3.16Å; W55-V116 HydrophobicContact CH2-CG2 4.36Å; W55-V116 HydrophobicContact CZ2-CG2 4.45Å
56I86.9Confident84.1Confident45 Ų4566.6 Ų66.623%0.23134%0.339CS..  trans-121.8133.4177.1-58.2177.5000106.3W26 P51 Y91W26-I56 HydrophobicContact CH2-CB 4.41Å; W26-I56 HydrophobicContact CH2-CG1 4.04Å; W26-I56 HydrophobicContact CH2-CG2 4.23Å; W26-I56 HydrophobicContact CZ2-CG1 4.25Å; P51-I56 HydrophobicContact CB-CD1 3.65Å; I56-Y91 HydrophobicContact CD1-CD2 4.45Å; I56-Y91 HydrophobicContact CD1-CE1 4.41Å; I56-Y91 HydrophobicContact CD1-CE2 4.01Å; I56-Y91 HydrophobicContact CG2-CD1 4.1Å; I56-Y91 HydrophobicContact CG2-CE1 4Å
57P89.1Confident83.2Confident16 Ų1667 Ų6710%0.10435%0.346CS..  trans-57.7142.2175.725.3-34.4000111.2W26 W55 T59W26-P57 HydrophobicContact CE3-CG 4.32Å; W55-P57 HydrophobicContact CH2-CB 4.26Å; P57-T59 PolarHBondContact O-N 3.49Å
58D88Confident82.2Confident52 Ų5268 Ų6828%0.27834%0.341SS..  trans-84.351-176.967.1-21.7000111.9C60 S108 Y109 G110 Y111D58-C60 PolarHBondContact O-N 2.99Å; D58-S108 VanDerWaalsContact CG-OG 3.29Å; D58-S108 WeakPolarHBondContact OD1-CB 3.23Å; D58-S108 PolarHBondContact OD1-OG 3.02Å; D58-S108 PolarHBondContact OD2-OG 3.49Å; D58-Y109 PolarHBondContact O-N 3.44Å; D58-Y109 PolarHBondContact OD2-N 3.38Å; D58-G110 PolarHBondContact OD2-N 3.4Å; D58-Y111 WeakPolarHBondContact OD1-CD2 3.49Å
59T87.3Confident81.4Confident14 Ų1467.1 Ų67.19%0.08633%0.331CS..EExtended strand (participates in β ladder)trans-66.6118.6-177.6-51.40000111.1Y22 E24 P57 L106 Y118Y22-T59 HydrophobicContact CE1-CG2 4.23Å; E24-T59 WeakPolarHBondContact OE1-CB 3.32Å; E24-T59 PolarHBondContact OE1-OG1 3.09Å; P57-T59 PolarHBondContact O-N 3.49Å; T59-L106 HydrophobicContact CG2-CB 4.12Å; T59-L106 HydrophobicContact CG2-CD2 3.93Å; T59-Y118 WeakPolarHBondContact CA-OH 3.43Å; T59-Y118 WeakPolarHBondContact CB-OH 3.3Å; T59-Y118 HydrophobicContact CG2-CE1 3.87Å; T59-Y118 VanDerWaalsContact OG1-CE1 3.24Å; T59-Y118 WeakPolarHBondContact OG1-CE1 3.47Å; T59-Y118 PolarHBondContact OG1-OH 2.86Å
60C85.2Confident80.2Confident34 Ų3462.9 Ų62.923%0.2331%0.309CS..EExtended strand (participates in β ladder)trans-115.1156.117670.10000111.2D58 L106 S107D58-C60 PolarHBondContact O-N 2.99Å; C60-L106 WeakPolarHBondContact O-CA 3.45Å; C60-S107 PolarHBondContact N-O 3.48Å; C60-S107 PolarHBondContact O-N 2.85Å; C60-S107 PolarHBondContact SG-O 2.9Å
61F85.7Confident78.9Confident20 Ų2069.8 Ų69.89%0.08834%0.34CS..EExtended strand (participates in β ladder)trans-99.2104.4174.1-71.4-96.5000108.4N63 A64 F97 L104 E105 L106F61-N63 PolarHBondContact O-N 3.1Å; F61-N63 VanDerWaalsContact O-N 3.16Å; F61-A64 HydrophobicContact CB-CB 3.71Å; F61-A64 PolarHBondContact O-N 3.35Å; F61-F97 HydrophobicContact CB-CE1 4.16Å; F61-F97 AromaticContact CD1-CE1 3.99Å; F61-F97 HydrophobicContact CD1-CE1 3.99Å; F61-F97 AromaticContact CD1-CZ 3.88Å; F61-F97 HydrophobicContact CD1-CZ 3.88Å; F61-F97 AromaticContact CD2-CE1 3.35Å; F61-F97 HydrophobicContact CD2-CE1 3.35Å; F61-F97 AromaticContact CD2-CZ 3.35Å; F61-F97 HydrophobicContact CD2-CZ 3.35Å; F61-F97 HydrophobicContact CE1-CE1 4.2Å; F61-F97 HydrophobicContact CE1-CE2 4.02Å; F61-F97 AromaticContact CE1-CZ 3.61Å; F61-F97 HydrophobicContact CE1-CZ 3.61Å; F61-F97 AromaticContact CE2-CE1 3.67Å; F61-F97 HydrophobicContact CE2-CE1 3.67Å; F61-F97 HydrophobicContact CE2-CE2 4.13Å; F61-F97 AromaticContact CE2-CZ 3.12Å; F61-F97 HydrophobicContact CE2-CZ 3.12Å; F61-F97 AromaticContact CG-CE1 3.53Å; F61-F97 HydrophobicContact CG-CE1 3.53Å; F61-F97 AromaticContact CG-CZ 3.74Å; F61-F97 HydrophobicContact CG-CZ 3.74Å; F61-F97 HydrophobicContact CZ-CE1 4.05Å; F61-F97 AromaticContact CZ-CE2 3.8Å; F61-F97 HydrophobicContact CZ-CE2 3.8Å; F61-F97 AromaticContact CZ-CZ 3.21Å; F61-F97 HydrophobicContact CZ-CZ 3.21Å; F61-L104 HydrophobicContact CD1-CD2 3.75Å; F61-L104 HydrophobicContact CE1-CD2 3.95Å; F61-E105 CarbonylContact C-O 3.3Å; F61-E105 VanDerWaalsContact CA-O 3.29Å; F61-E105 WeakPolarHBondContact CA-O 3.3Å; F61-L106 HydrophobicContact CD1-CD2 4.35Å; F61-L106 HydrophobicContact CD1-CG 3.93Å; F61-L106 HydrophobicContact CE1-CD1 4.03Å; F61-L106 HydrophobicContact CE1-CD2 3.57Å; F61-L106 HydrophobicContact CE1-CG 3.54Å; F61-L106 HydrophobicContact CE2-CD2 4.07Å; F61-L106 HydrophobicContact CZ-CD2 3.4Å; F61-L106 VanDerWaalsContact CZ-CD2 3.4Å; F61-L106 HydrophobicContact CZ-CG 3.92Å
62N82.7Confident77.7Confident65 Ų6575.8 Ų75.835%0.34838%0.375SS..THydrogen-bonded Turntrans-60.8-29.6-170.4-69.5-24.4000113.8E105 S107N62-E105 HydrophobicContact CB-CB 4.07Å; N62-E105 PolarHBondContact N-O 2.9Å; N62-S107 VanDerWaalsContact CG-OG 3.24Å; N62-S107 PolarHBondContact ND2-OG 3.44Å; N62-S107 PolarHBondContact OD1-OG 3.38Å
63N83.6Confident76.2Confident35 Ų3569.3 Ų69.319%0.18738%0.375CS..THydrogen-bonded Turntrans-109.514.9-176.669.1-33.8000113.5F61 A101 G103 E105F61-N63 PolarHBondContact O-N 3.1Å; F61-N63 VanDerWaalsContact O-N 3.16Å; N63-A101 PolarHBondContact ND2-O 3.41Å; N63-G103 PolarHBondContact ND2-O 3.01Å; N63-E105 PolarHBondContact OD1-N 3.5Å; N63-E105 VanDerWaalsContact OD1-N 3.16Å
64A80.3Confident74.5Confident31 Ų3161.3 Ų61.326%0.25635%0.352SS..EExtended strand (participates in β ladder)trans-78127.1169.700000110F61 F97F61-A64 HydrophobicContact CB-CB 3.71Å; F61-A64 PolarHBondContact O-N 3.35Å; A64-F97 HydrophobicContact CB-CD1 4.48Å
65L77.7Confident72.5Confident107 Ų10765.2 Ų65.256%0.5638%0.377SS*.EExtended strand (participates in β ladder)trans-83.1-41.5172.8-68.3169.8000110.9R15 Q99R15-L65 HydrophobicContact CG-CD1 3.8Å; R15-L65 VanDerWaalsContact CZ-CD1 3.5Å; L65-Q99 HydrophobicContact CB-CB 4.38Å; L65-Q99 WeakPolarHBondContact CB-O 3.45Å; L65-Q99 HydrophobicContact CD1-CB 4.26Å; L65-Q99 PolarHBondContact N-O 3.47Å; L65-Q99 VanDerWaalsContact N-O 3.13Å
66E71.9Confident70.5Confident93 Ų9362.6 Ų62.644%0.43537%0.374SS..EExtended strand (participates in β ladder)trans-137.4149175.7-164.2171.9173.500108.7D98E66-D98 CarbonylContact C-O 3.5Å; E66-D98 HydrophobicContact CB-CB 3.96Å; E66-D98 HydrophobicContact CG-CB 4.27Å; E66-D98 PolarHBondContact N-O 2.76Å; E66-D98 CarbonylContact O-C 3.47Å; E66-D98 PolarHBondContact O-N 3.35Å
67S68.7Low69Low52 Ų5263.4 Ų63.436%0.36438%0.377SS..EExtended strand (participates in β ladder)trans-139.2110.5170.3-179.90000105.3G69S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 2.98Å; S67-G69 VanDerWaalsContact O-N 3.1Å
68K63.6Low67.6Low114 Ų11472 Ų7250%0.49641%0.407SS..  trans-79.295.8171.6-76-174.3-179.91410105.8P96 D98K68-P96 HydrophobicContact CB-CB 4.37Å; K68-P96 PolarHBondContact N-O 3.24Å; K68-P96 WeakPolarHBondContact O-CB 3.33Å; K68-P96 WeakPolarHBondContact O-CD 3.18Å; K68-P96 WeakPolarHBondContact O-CG 3.3Å; K68-P96 VanDerWaalsContact O-O 3.11Å; K68-D98 WeakPolarHBondContact CD-OD2 3.45Å; K68-D98 WeakPolarHBondContact CE-OD2 3.44Å; K68-D98 IonicContact NZ-OD2 3.31Å; K68-D98 PolarHBondContact NZ-OD2 2.92Å
69G63.1Low66.9Low34 Ų3471.5 Ų71.535%0.35140%0.404SS..PPolyproline II helixtrans-53.9149.8163.800000109.4S67 E71S67-G69 VanDerWaalsContact C-N 3.34Å; S67-G69 PolarHBondContact O-N 2.98Å; S67-G69 VanDerWaalsContact O-N 3.1Å; G69-E71 PolarHBondContact O-N 3.26Å
70P55.8Low66.6Low16 Ų1674.2 Ų74.210%0.10442%0.415CS..PPolyproline II helixtrans-54.813317222.6-30.7000109.3H77P70-H77 HydrophobicContact CB-CB 3.99Å; P70-H77 HydrophobicContact CG-CB 4.36Å; P70-H77 PolarHBondContact O-CD2 2.96Å
71E57.3Low66.6Low157 Ų15772.8 Ų72.873%0.73441%0.405SS*.PPolyproline II helixtrans-59.6139.3179.6-70.2-179.3169.400110.8G69 G73 S74G69-E71 PolarHBondContact O-N 3.26Å; E71-G73 PolarHBondContact O-N 3.39Å; E71-S74 PolarHBondContact O-N 3.5Å
72V55.4Low66.8Low138 Ų13875.5 Ų75.584%0.83642%0.417SS*.THydrogen-bonded Turntrans-61.5111.9177.8-177.70000108.8
73G52.1Low67.2Low76 Ų7673.2 Ų73.278%0.78441%0.405SS*.THydrogen-bonded Turntrans102.5-5.3-178.800000115.5E71E71-G73 PolarHBondContact O-N 3.39Å
74S50.4Low67.6Low50 Ų5075.4 Ų75.435%0.3541%0.414SS..  trans-74.2145.1170.8-171.60000110.9E71 S76 H77E71-S74 PolarHBondContact O-N 3.5Å; S74-S76 WeakPolarHBondContact CB-OG 3.29Å; S74-S76 PolarHBondContact O-N 3.16Å; S74-S76 PolarHBondContact OG-OG 3.44Å; S74-H77 WeakPolarHBondContact O-CB 3.46Å; S74-H77 PolarHBondContact O-N 3.25Å
75V46.9Very low68Low119 Ų11976.9 Ų76.972%0.72142%0.415SS*.THydrogen-bonded Turntrans-58.8-19.7174.8-178.50000111.4H77V75-H77 VanDerWaalsContact C-N 3.31Å
76S49.5Very low68.6Low46 Ų4673.9 Ų73.932%0.32240%0.4SS..THydrogen-bonded Turntrans-72.9-15.1172.661.80000114.5S74 R78S74-S76 WeakPolarHBondContact CB-OG 3.29Å; S74-S76 PolarHBondContact O-N 3.16Å; S74-S76 PolarHBondContact OG-OG 3.44Å; S76-R78 PolarHBondContact O-N 2.87Å; S76-R78 VanDerWaalsContact O-N 3.08Å
77H54.9Low69.5Low62 Ų6269.4 Ų69.429%0.28738%0.379SS..  trans-84.157.5175.5-166.2-65.9000111.3P70 S74 V75 E79P70-H77 HydrophobicContact CB-CB 3.99Å; P70-H77 HydrophobicContact CG-CB 4.36Å; P70-H77 PolarHBondContact O-CD2 2.96Å; S74-H77 WeakPolarHBondContact O-CB 3.46Å; S74-H77 PolarHBondContact O-N 3.25Å; V75-H77 VanDerWaalsContact C-N 3.31Å; H77-E79 IonicContact CE1-OE1 2.67Å
78R60.1Low70.6Confident196 Ų19668.2 Ų68.274%0.7437%0.369SS*.  trans-103.492.8168.4-71.4-170-175.2-170.22.3109.2S76S76-R78 PolarHBondContact O-N 2.87Å; S76-R78 VanDerWaalsContact O-N 3.08Å
79E73.5Confident71.8Confident43 Ų4362.8 Ų62.820%0.20135%0.346CS..  trans-72.7132.6159.4-67.2174.5177.100107.5H77 Y91 R93H77-E79 IonicContact CE1-OE1 2.67Å; E79-Y91 HydrophobicContact CB-CE2 4.29Å; E79-Y91 VanDerWaalsContact CD-OH 3.24Å; E79-Y91 PolarHBondContact OE1-OH 3.36Å; E79-Y91 PolarHBondContact OE2-OH 2.85Å; E79-R93 HydrophobicContact CG-CG 4.42Å; E79-R93 IonicContact OE1-NE 2.67Å
80H80.6Confident73.1Confident71 Ų7162.7 Ų62.733%0.32934%0.336SS..EExtended strand (participates in β ladder)trans-125.5112.6-178.6177.3-120.6000108.5D45 K82 F90 S92D45-H80 IonicContact OD1-NE2 2.61Å; H80-K82 VanDerWaalsContact CE1-CD 3.44Å; H80-K82 WeakPolarHBondContact CE1-CD 3.5Å; H80-K82 WeakPolarHBondContact CE1-CE 3.34Å; H80-K82 WeakPolarHBondContact NE2-CE 3.32Å; H80-F90 AromaticContact ND1-CE1 3.85Å; H80-S92 PolarHBondContact N-O 2.97Å; H80-S92 PolarHBondContact O-N 3.03Å
81T86.1Confident74.4Confident4 Ų462.7 Ų62.73%0.02533%0.334CS..EExtended strand (participates in β ladder)trans-112.8124.4-179.6-47.90000109.2L46 L54 V89 F90 Y91L46-T81 WeakPolarHBondContact CB-O 3.07Å; L46-T81 HydrophobicContact CD1-CG2 3.61Å; L46-T81 HydrophobicContact CG-CG2 4.5Å; L46-T81 PolarHBondContact N-O 2.97Å; L54-T81 HydrophobicContact CD1-CG2 4.24Å; T81-V89 HydrophobicContact CG2-CG1 3.63Å; T81-F90 CarbonylContact C-O 3.52Å; T81-F90 VanDerWaalsContact CA-O 3.25Å; T81-F90 WeakPolarHBondContact CA-O 3.11Å; T81-Y91 HydrophobicContact CG2-CD2 4.45Å; T81-Y91 WeakPolarHBondContact OG1-CD2 3.33Å
82K89.2Confident75.5Confident77 Ų7756 Ų5634%0.33530%0.304SS..EExtended strand (participates in β ladder)trans-115.7138.8173.8-62.3-179142.9164.90109.3V44 D45 H80 F90V44-K82 WeakPolarHBondContact O-CA 3.11Å; D45-K82 WeakPolarHBondContact OD1-CE 3.49Å; D45-K82 WeakPolarHBondContact OD1-CG 3.33Å; H80-K82 VanDerWaalsContact CE1-CD 3.44Å; H80-K82 WeakPolarHBondContact CE1-CD 3.5Å; H80-K82 WeakPolarHBondContact CE1-CE 3.34Å; H80-K82 WeakPolarHBondContact NE2-CE 3.32Å; K82-F90 HydrophobicContact CB-CB 4.16Å; K82-F90 HydrophobicContact CB-CD1 4.06Å; K82-F90 HydrophobicContact CD-CD1 4.01Å; K82-F90 HydrophobicContact CD-CE1 4.47Å; K82-F90 HydrophobicContact CG-CD1 4.01Å; K82-F90 PolarHBondContact N-O 3.05Å; K82-F90 PolarHBondContact O-N 3.33Å
83L90.8Very high76.2Confident17 Ų1752.1 Ų52.19%0.08928%0.275CS..EExtended strand (participates in β ladder)trans-110.5126174.5-175.866.8000109.5L31 F33 T43 V44 L46 V89L31-L83 HydrophobicContact CB-CD1 3.64Å; L31-L83 HydrophobicContact CB-CD2 4.19Å; L31-L83 HydrophobicContact CD1-CD1 4.04Å; L31-L83 HydrophobicContact CG-CD1 4.47Å; F33-L83 HydrophobicContact CD1-CD2 3.75Å; F33-L83 HydrophobicContact CD1-CG 4.09Å; F33-L83 HydrophobicContact CE1-CB 4.46Å; F33-L83 HydrophobicContact CE1-CD2 3.9Å; F33-L83 HydrophobicContact CE1-CG 3.82Å; T43-L83 CarbonylContact C-O 3.59Å; T43-L83 WeakPolarHBondContact CA-O 3.28Å; V44-L83 PolarHBondContact N-O 3.44Å; V44-L83 PolarHBondContact O-N 3Å; L46-L83 HydrophobicContact CD1-CB 4.13Å; L46-L83 HydrophobicContact CD2-CB 4.35Å; L46-L83 HydrophobicContact CG-CB 4.24Å; L83-V89 HydrophobicContact CD1-CG2 3.78Å
84Q91.4Very high76.8Confident81 Ų8152.3 Ų52.338%0.37925%0.252SS..EExtended strand (participates in β ladder)trans-93.3152.5173-169.5168.421.700110.5F33 T43 D86 G87 T88F33-Q84 WeakPolarHBondContact CE1-O 3.4Å; T43-Q84 HydrophobicContact CG2-CG 4.36Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.33Å; Q84-D86 WeakPolarHBondContact CG-OD1 3.44Å; Q84-D86 PolarHBondContact O-N 3.29Å; Q84-G87 PolarHBondContact O-N 2.78Å; Q84-T88 WeakPolarHBondContact CB-O 3.29Å; Q84-T88 PolarHBondContact N-O 3.42Å
85E90.1Very high77Confident61 Ų6151.6 Ų51.629%0.28524%0.242SC..THydrogen-bonded Turntrans-51.1-30.9-176.865.4175.8157.600115.2F33 R35 S42 G87F33-E85 HydrophobicContact CE2-CB 4.49Å; F33-E85 HydrophobicContact CZ-CB 4.27Å; F33-E85 PolarHBondContact N-O 2.97Å; R35-E85 WeakPolarHBondContact CG-OE2 3.41Å; R35-E85 IonicContact CZ-OE1 3.21Å; R35-E85 IonicContact CZ-OE2 3.37Å; R35-E85 VanDerWaalsContact CZ-OE2 3.31Å; R35-E85 IonicContact NE-OE1 2.74Å; R35-E85 IonicContact NE-OE2 3.79Å; R35-E85 PolarHBondContact NE-OE2 2.93Å; R35-E85 VanDerWaalsContact NH2-CD 3.3Å; R35-E85 IonicContact NH2-OE1 3.82Å; R35-E85 PolarHBondContact NH2-OE1 3.05Å; R35-E85 IonicContact NH2-OE2 2.95Å; R35-E85 PolarHBondContact NH2-OE2 3.35Å; S42-E85 PolarHBondContact O-N 3.49Å; E85-G87 PolarHBondContact O-N 2.94Å
86D90.4Very high76.8Confident44 Ų4447.7 Ų47.724%0.23522%0.219CC..THydrogen-bonded Turntrans-85.41.4-173.373.2-34.4000113R27 Q32 Q84 T88R27-D86 IonicContact CZ-OD2 3.8Å; R27-D86 PolarHBondContact NE-O 3.15Å; R27-D86 IonicContact NE-OD2 3.75Å; R27-D86 PolarHBondContact NH2-O 2.83Å; Q32-D86 VanDerWaalsContact CG-C 3.47Å; Q32-D86 WeakPolarHBondContact CG-O 3.36Å; Q32-D86 PolarHBondContact NE2-O 2.66Å; Q84-D86 WeakPolarHBondContact CB-OD1 3.33Å; Q84-D86 WeakPolarHBondContact CG-OD1 3.44Å; Q84-D86 PolarHBondContact O-N 3.29Å; D86-T88 VanDerWaalsContact CG-OG1 3.26Å; D86-T88 VanDerWaalsContact OD1-CB 3.25Å; D86-T88 WeakPolarHBondContact OD1-CB 3.36Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 2.99Å; D86-T88 VanDerWaalsContact OD1-OG1 3.07Å; D86-T88 PolarHBondContact OD2-OG1 3.28Å
87G89.6Confident76.7Confident0 Ų045.6 Ų45.60%020%0.204CC..SBendtrans90.45.8-176.100000113.7D28 Q84 E85 V89D28-G87 PolarHBondContact N-O 3.45Å; D28-G87 WeakPolarHBondContact O-CA 3.49Å; Q84-G87 PolarHBondContact O-N 2.78Å; E85-G87 PolarHBondContact O-N 2.94Å; G87-V89 PolarHBondContact O-N 3.11Å
88T91.6Very high76Confident26 Ų2644.1 Ų44.116%0.1620%0.198CC..EExtended strand (participates in β ladder)trans-73.7118.9176.8-59.50000109.9W26 Q84 D86W26-T88 CarbonylContact O-C 3.59Å; W26-T88 WeakPolarHBondContact O-CA 3.36Å; Q84-T88 WeakPolarHBondContact CB-O 3.29Å; Q84-T88 PolarHBondContact N-O 3.42Å; D86-T88 VanDerWaalsContact CG-OG1 3.26Å; D86-T88 VanDerWaalsContact OD1-CB 3.25Å; D86-T88 WeakPolarHBondContact OD1-CB 3.36Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 2.99Å; D86-T88 VanDerWaalsContact OD1-OG1 3.07Å; D86-T88 PolarHBondContact OD2-OG1 3.28Å
89V90Very high74.6Confident0 Ų037.6 Ų37.60%018%0.176CC..EExtended strand (participates in β ladder)trans-95.7123.5175-174.50000108Y25 W26 L31 T81 L83 G87Y25-V89 WeakPolarHBondContact CA-O 3.37Å; W26-V89 HydrophobicContact CD2-CB 4.01Å; W26-V89 HydrophobicContact CD2-CG1 4.5Å; W26-V89 HydrophobicContact CE3-CB 4.44Å; W26-V89 HydrophobicContact CH2-CB 4.17Å; W26-V89 HydrophobicContact CH2-CG1 3.61Å; W26-V89 HydrophobicContact CZ2-CB 3.67Å; W26-V89 HydrophobicContact CZ2-CG1 3.4Å; W26-V89 VanDerWaalsContact CZ2-CG1 3.4Å; W26-V89 HydrophobicContact CZ2-CG2 4.17Å; W26-V89 HydrophobicContact CZ3-CG1 4.24Å; W26-V89 PolarHBondContact N-O 3Å; W26-V89 PolarHBondContact O-N 3.47Å; L31-V89 HydrophobicContact CD1-CG2 3.53Å; T81-V89 HydrophobicContact CG2-CG1 3.63Å; L83-V89 HydrophobicContact CD1-CG2 3.78Å; G87-V89 PolarHBondContact O-N 3.11Å
90F88.5Confident72.8Confident33 Ų3335.6 Ų35.615%0.14517%0.167CC..EExtended strand (participates in β ladder)trans-97.8122.1166.8167.1-107.5000108.4H23 Y25 H80 T81 K82H23-F90 HydrophobicContact CB-CE2 3.83Å; H23-F90 AromaticContact CG-CE2 3.73Å; H23-F90 AromaticContact ND1-CE2 3.88Å; Y25-F90 HydrophobicContact CD1-CB 4.18Å; Y25-F90 AromaticContact CD1-CD2 3.8Å; Y25-F90 HydrophobicContact CD1-CD2 3.8Å; Y25-F90 HydrophobicContact CD1-CG 4.48Å; Y25-F90 HydrophobicContact CE1-CB 4.08Å; Y25-F90 AromaticContact CE1-CD2 3.16Å; Y25-F90 HydrophobicContact CE1-CD2 3.16Å; Y25-F90 AromaticContact CE1-CE2 3.85Å; Y25-F90 HydrophobicContact CE1-CE2 3.85Å; Y25-F90 AromaticContact CE1-CG 3.99Å; Y25-F90 HydrophobicContact CE1-CG 3.99Å; Y25-F90 AromaticContact CE2-CD2 4Å; Y25-F90 HydrophobicContact CE2-CD2 4Å; Y25-F90 HydrophobicContact CE2-CE2 4.1Å; Y25-F90 HydrophobicContact CG-CD2 4.46Å; Y25-F90 AromaticContact CZ-CD2 3.27Å; Y25-F90 AromaticContact CZ-CE2 3.45Å; Y25-F90 VanDerWaalsContact CZ-CE2 3.45Å; Y25-F90 WeakPolarHBondContact OH-CD2 3.13Å; Y25-F90 WeakPolarHBondContact OH-CE2 3.46Å; H80-F90 AromaticContact ND1-CE1 3.85Å; T81-F90 CarbonylContact C-O 3.52Å; T81-F90 VanDerWaalsContact CA-O 3.25Å; T81-F90 WeakPolarHBondContact CA-O 3.11Å; K82-F90 HydrophobicContact CB-CB 4.16Å; K82-F90 HydrophobicContact CB-CD1 4.06Å; K82-F90 HydrophobicContact CD-CD1 4.01Å; K82-F90 HydrophobicContact CD-CE1 4.47Å; K82-F90 HydrophobicContact CG-CD1 4.01Å; K82-F90 PolarHBondContact N-O 3.05Å; K82-F90 PolarHBondContact O-N 3.33Å
91Y84.5Confident70.9Confident15 Ų1534.5 Ų34.56%0.05917%0.17CC..EExtended strand (participates in β ladder)trans-119.9118.9176.6-175.6-117.7000109.5H23 E24 W26 P51 I56 E79 T81 R93H23-Y91 WeakPolarHBondContact CA-O 3.44Å; E24-Y91 PolarHBondContact N-O 3.41Å; E24-Y91 PolarHBondContact O-N 3.15Å; W26-Y91 HydrophobicContact CH2-CG 4.08Å; W26-Y91 HydrophobicContact CZ3-CD1 4.45Å; W26-Y91 HydrophobicContact CZ3-CG 4.12Å; P51-Y91 HydrophobicContact CB-CE2 4.19Å; P51-Y91 HydrophobicContact CG-CE2 3.94Å; I56-Y91 HydrophobicContact CD1-CD2 4.45Å; I56-Y91 HydrophobicContact CD1-CE1 4.41Å; I56-Y91 HydrophobicContact CD1-CE2 4.01Å; I56-Y91 HydrophobicContact CG2-CD1 4.1Å; I56-Y91 HydrophobicContact CG2-CE1 4Å; E79-Y91 HydrophobicContact CB-CE2 4.29Å; E79-Y91 VanDerWaalsContact CD-OH 3.24Å; E79-Y91 PolarHBondContact OE1-OH 3.36Å; E79-Y91 PolarHBondContact OE2-OH 2.85Å; T81-Y91 HydrophobicContact CG2-CD2 4.45Å; T81-Y91 WeakPolarHBondContact OG1-CD2 3.33Å; Y91-R93 HydrophobicContact CE1-CB 4.16Å
92S79.8Confident69.7Low16 Ų1638.8 Ų38.811%0.11220%0.199CC..EExtended strand (participates in β ladder)trans-113125.2176179.10000109.6H23 H80H23-S92 PolarHBondContact CD2-OG 3.43Å; H23-S92 PolarHBondContact NE2-OG 2.96Å; H80-S92 PolarHBondContact N-O 2.97Å; H80-S92 PolarHBondContact O-N 3.03Å
93R70.6Confident68.8Low58 Ų5836 Ų3622%0.21919%0.192CC..EExtended strand (participates in β ladder)trans-130134.2175.5-172.5168.6-174.8-160.78.6109.7Y22 E79 Y91 Y95Y22-R93 PolarHBondContact N-O 3.09Å; Y22-R93 VanDerWaalsContact N-O 3.11Å; Y22-R93 PolarHBondContact O-N 3.39Å; Y22-R93 VanDerWaalsContact O-N 3.07Å; E79-R93 HydrophobicContact CG-CG 4.42Å; E79-R93 IonicContact OE1-NE 2.67Å; Y91-R93 HydrophobicContact CE1-CB 4.16Å; R93-Y95 HydrophobicContact CB-CD2 4.18Å; R93-Y95 HydrophobicContact CB-CE2 4Å; R93-Y95 HydrophobicContact CG-CD2 3.98Å; R93-Y95 HydrophobicContact CG-CE2 3.83Å; R93-Y95 VanDerWaalsContact NH1-CZ 3.31Å; R93-Y95 PolarHBondContact NH1-OH 3.49Å
94R64.1Low68.3Low79 Ų7935.2 Ų35.230%0.29819%0.188SC..EExtended strand (participates in β ladder)trans-80.7121166.7-170174.8-179.2-179.6-1.7107.9E19 Y21 P96E19-R94 IonicContact OE2-CZ 3.09Å; E19-R94 IonicContact OE2-NH2 3.59Å; E19-R94 PolarHBondContact OE2-NH2 3.33Å; Y21-R94 HydrophobicContact CD1-CB 4.07Å; Y21-R94 HydrophobicContact CD1-CG 4.17Å; Y21-R94 HydrophobicContact CE1-CB 3.88Å; Y21-R94 HydrophobicContact CE1-CG 3.81Å; R94-P96 WeakPolarHBondContact O-CD 3.38Å
95Y54.1Low68.1Low36 Ų3633.4 Ų33.414%0.14118%0.179CC..EExtended strand (participates in β ladder)trans-110.6109173.2-85.8-83.4000108.9L20 Y22 R93 F97L20-Y95 PolarHBondContact O-N 3.42Å; Y22-Y95 HydrophobicContact CD1-CE2 4.28Å; R93-Y95 HydrophobicContact CB-CD2 4.18Å; R93-Y95 HydrophobicContact CB-CE2 4Å; R93-Y95 HydrophobicContact CG-CD2 3.98Å; R93-Y95 HydrophobicContact CG-CE2 3.83Å; R93-Y95 VanDerWaalsContact NH1-CZ 3.31Å; R93-Y95 PolarHBondContact NH1-OH 3.49Å; Y95-F97 VanDerWaalsContact CB-CZ 3.44Å; Y95-F97 HydrophobicContact CD1-CE1 4.32Å; Y95-F97 HydrophobicContact CD1-CZ 4Å; Y95-F97 HydrophobicContact CG-CE2 4.23Å; Y95-F97 AromaticContact CG-CZ 3.79Å; Y95-F97 HydrophobicContact CG-CZ 3.79Å; Y95-F97 PolarHBondContact O-N 3.48Å
96P42.7Very low68Low36 Ų3630.6 Ų30.623%0.23417%0.166CC..EExtended strand (participates in β ladder)trans-71.6109.3160.4-7.121.7000108.4K68 R94K68-P96 HydrophobicContact CB-CB 4.37Å; K68-P96 PolarHBondContact N-O 3.24Å; K68-P96 WeakPolarHBondContact O-CB 3.33Å; K68-P96 WeakPolarHBondContact O-CD 3.18Å; K68-P96 WeakPolarHBondContact O-CG 3.3Å; K68-P96 VanDerWaalsContact O-O 3.11Å; R94-P96 WeakPolarHBondContact O-CD 3.38Å
97F48.8Very low68Low2 Ų228.7 Ų28.71%0.00916%0.156CC..EExtended strand (participates in β ladder)trans-90.9128169.5-67.2-73.4000110.2T17 A18 L20 F61 A64 Y95 Q100T17-F97 WeakPolarHBondContact CG2-O 3.21Å; A18-F97 PolarHBondContact N-O 3.41Å; A18-F97 WeakPolarHBondContact O-CB 3.5Å; A18-F97 PolarHBondContact O-N 3.42Å; A18-F97 VanDerWaalsContact O-N 3.12Å; L20-F97 HydrophobicContact CD1-CD2 4.45Å; L20-F97 HydrophobicContact CD1-CE2 3.7Å; L20-F97 HydrophobicContact CD2-CD2 3.66Å; L20-F97 HydrophobicContact CD2-CE2 3.48Å; L20-F97 VanDerWaalsContact CD2-CE2 3.48Å; L20-F97 HydrophobicContact CG-CD2 3.76Å; L20-F97 HydrophobicContact CG-CE2 3.49Å; L20-F97 VanDerWaalsContact CG-CE2 3.49Å; F61-F97 HydrophobicContact CB-CE1 4.16Å; F61-F97 AromaticContact CD1-CE1 3.99Å; F61-F97 HydrophobicContact CD1-CE1 3.99Å; F61-F97 AromaticContact CD1-CZ 3.88Å; F61-F97 HydrophobicContact CD1-CZ 3.88Å; F61-F97 AromaticContact CD2-CE1 3.35Å; F61-F97 HydrophobicContact CD2-CE1 3.35Å; F61-F97 AromaticContact CD2-CZ 3.35Å; F61-F97 HydrophobicContact CD2-CZ 3.35Å; F61-F97 HydrophobicContact CE1-CE1 4.2Å; F61-F97 HydrophobicContact CE1-CE2 4.02Å; F61-F97 AromaticContact CE1-CZ 3.61Å; F61-F97 HydrophobicContact CE1-CZ 3.61Å; F61-F97 AromaticContact CE2-CE1 3.67Å; F61-F97 HydrophobicContact CE2-CE1 3.67Å; F61-F97 HydrophobicContact CE2-CE2 4.13Å; F61-F97 AromaticContact CE2-CZ 3.12Å; F61-F97 HydrophobicContact CE2-CZ 3.12Å; F61-F97 AromaticContact CG-CE1 3.53Å; F61-F97 HydrophobicContact CG-CE1 3.53Å; F61-F97 AromaticContact CG-CZ 3.74Å; F61-F97 HydrophobicContact CG-CZ 3.74Å; F61-F97 HydrophobicContact CZ-CE1 4.05Å; F61-F97 AromaticContact CZ-CE2 3.8Å; F61-F97 HydrophobicContact CZ-CE2 3.8Å; F61-F97 AromaticContact CZ-CZ 3.21Å; F61-F97 HydrophobicContact CZ-CZ 3.21Å; A64-F97 HydrophobicContact CB-CD1 4.48Å; Y95-F97 VanDerWaalsContact CB-CZ 3.44Å; Y95-F97 HydrophobicContact CD1-CE1 4.32Å; Y95-F97 HydrophobicContact CD1-CZ 4Å; Y95-F97 HydrophobicContact CG-CE2 4.23Å; Y95-F97 AromaticContact CG-CZ 3.79Å; Y95-F97 HydrophobicContact CG-CZ 3.79Å; Y95-F97 PolarHBondContact O-N 3.48Å; F97-Q100 HydrophobicContact CB-CG 4.44Å
98D39.4Very low68Low32 Ų3228.9 Ų28.917%0.17116%0.158CC..EExtended strand (participates in β ladder)trans-103.1120.2166.9-95.5-14.4000108.8T17 E66 K68T17-D98 WeakPolarHBondContact CG2-OD1 3.48Å; E66-D98 CarbonylContact C-O 3.5Å; E66-D98 HydrophobicContact CB-CB 3.96Å; E66-D98 HydrophobicContact CG-CB 4.27Å; E66-D98 PolarHBondContact N-O 2.76Å; E66-D98 CarbonylContact O-C 3.47Å; E66-D98 PolarHBondContact O-N 3.35Å; K68-D98 WeakPolarHBondContact CD-OD2 3.45Å; K68-D98 WeakPolarHBondContact CE-OD2 3.44Å; K68-D98 IonicContact NZ-OD2 3.31Å; K68-D98 PolarHBondContact NZ-OD2 2.92Å
99Q30.5Very low67.7Low59 Ų5936.6 Ų36.628%0.27619%0.186SC..EExtended strand (participates in β ladder)trans58.9105.6171-53.5-177.916.800117R15 F16 T17 L65R15-Q99 HydrophobicContact CB-CB 4.17Å; R15-Q99 HydrophobicContact CB-CG 4.49Å; R15-Q99 VanDerWaalsContact CD-OE1 3.24Å; R15-Q99 HydrophobicContact CG-CB 4.3Å; F16-Q99 CarbonylContact O-C 3.59Å; F16-Q99 WeakPolarHBondContact O-CA 3.08Å; F16-Q99 PolarHBondContact O-N 3.44Å; T17-Q99 PolarHBondContact OG1-N 3.4Å; L65-Q99 HydrophobicContact CB-CB 4.38Å; L65-Q99 WeakPolarHBondContact CB-O 3.45Å; L65-Q99 HydrophobicContact CD1-CB 4.26Å; L65-Q99 PolarHBondContact N-O 3.47Å; L65-Q99 VanDerWaalsContact N-O 3.13Å
100Q36.9Very low67.6Low0 Ų039 Ų390%021%0.21CC..EExtended strand (participates in β ladder)trans-133.1149.1176.8-69.3173.8-13.100111R15 F16 F97R15-Q100 CarbonylContact C-O 3.35Å; R15-Q100 VanDerWaalsContact C-O 3.3Å; R15-Q100 WeakPolarHBondContact CA-O 3.49Å; F16-Q100 HydrophobicContact CD1-CB 3.92Å; F16-Q100 WeakPolarHBondContact CD1-O 3.19Å; F16-Q100 HydrophobicContact CD2-CB 4.48Å; F16-Q100 HydrophobicContact CE1-CB 3.41Å; F16-Q100 VanDerWaalsContact CE1-CB 3.41Å; F16-Q100 WeakPolarHBondContact CE1-O 3.44Å; F16-Q100 HydrophobicContact CE2-CB 4.08Å; F16-Q100 HydrophobicContact CG-CB 4.41Å; F16-Q100 HydrophobicContact CZ-CB 3.53Å; F16-Q100 HydrophobicContact CZ-CG 4.39Å; F16-Q100 PolarHBondContact N-O 3.49Å; F16-Q100 PolarHBondContact O-N 2.88Å; F97-Q100 HydrophobicContact CB-CG 4.44Å
101A40.5Very low67.8Low49 Ų4941.4 Ų41.441%0.40522%0.219SC..  trans-89.4123.2172.500000110M14 N63 G103M14-A101 WeakPolarHBondContact O-CA 3.35Å; N63-A101 PolarHBondContact ND2-O 3.41Å; A101-G103 PolarHBondContact O-N 3.32Å
102C60.2Low68.2Low94 Ų9442.3 Ų42.364%0.63523%0.225SC*.SBendtrans-23.7109-173.1-71.80000115.5
103G71.3Confident68.8Low17 Ų1742.8 Ų42.818%0.17523%0.228CC..SBendtrans124148.2-166.800000109.2N63 A101 F161N63-G103 PolarHBondContact ND2-O 3.01Å; A101-G103 PolarHBondContact O-N 3.32Å; G103-F161 CarbonylContact C-O 3.52Å; G103-F161 WeakPolarHBondContact CA-O 3.34Å
104L79.9Confident69.9Low2 Ų248 Ų481%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-120.5114.6169.4-81.2178.3000106.2M1 L20 F61 K160 F161M1-L104 HydrophobicContact CE-CD1 3.94Å; M1-L104 HydrophobicContact SD-CD1 4.04Å; L20-L104 HydrophobicContact CD2-CD1 3.49Å; L20-L104 VanDerWaalsContact CD2-CD1 3.49Å; F61-L104 HydrophobicContact CD1-CD2 3.75Å; F61-L104 HydrophobicContact CE1-CD2 3.95Å; L104-K160 CarbonylContact O-C 3.52Å; L104-K160 WeakPolarHBondContact O-CA 3.22Å; L104-F161 HydrophobicContact CB-CB 4.09Å; L104-F161 HydrophobicContact CB-CD1 3.97Å; L104-F161 HydrophobicContact CD1-CD1 3.63Å; L104-F161 HydrophobicContact CD1-CE1 4.02Å; L104-F161 HydrophobicContact CG-CD1 4.06Å; L104-F161 PolarHBondContact N-O 2.91Å; L104-F161 PolarHBondContact O-N 3.27Å
105E86.6Confident71.2Confident42 Ų4249.2 Ų49.220%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-107.2111.1176.8-60.8-163.417800109.3F61 N62 N63 V158 K160F61-E105 CarbonylContact C-O 3.3Å; F61-E105 VanDerWaalsContact CA-O 3.29Å; F61-E105 WeakPolarHBondContact CA-O 3.3Å; N62-E105 HydrophobicContact CB-CB 4.07Å; N62-E105 PolarHBondContact N-O 2.9Å; N63-E105 PolarHBondContact OD1-N 3.5Å; N63-E105 VanDerWaalsContact OD1-N 3.16Å; E105-V158 HydrophobicContact CB-CG1 4.15Å; E105-K160 HydrophobicContact CG-CG 4.28Å; E105-K160 WeakPolarHBondContact OE1-CE 3.24Å; E105-K160 IonicContact OE1-NZ 3.53Å; E105-K160 PolarHBondContact OE1-NZ 3Å
106L87.7Confident73Confident2 Ų248.4 Ų48.41%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-99.6133.5174.3-57.596.4000109.7Y22 T59 C60 F61 W120 V158 A159Y22-L106 HydrophobicContact CD2-CD2 4.02Å; Y22-L106 HydrophobicContact CE1-CD2 4.31Å; Y22-L106 HydrophobicContact CE2-CD2 3.41Å; Y22-L106 VanDerWaalsContact CE2-CD2 3.41Å; T59-L106 HydrophobicContact CG2-CB 4.12Å; T59-L106 HydrophobicContact CG2-CD2 3.93Å; C60-L106 WeakPolarHBondContact O-CA 3.45Å; F61-L106 HydrophobicContact CD1-CD2 4.35Å; F61-L106 HydrophobicContact CD1-CG 3.93Å; F61-L106 HydrophobicContact CE1-CD1 4.03Å; F61-L106 HydrophobicContact CE1-CD2 3.57Å; F61-L106 HydrophobicContact CE1-CG 3.54Å; F61-L106 HydrophobicContact CE2-CD2 4.07Å; F61-L106 HydrophobicContact CZ-CD2 3.4Å; F61-L106 VanDerWaalsContact CZ-CD2 3.4Å; F61-L106 HydrophobicContact CZ-CG 3.92Å; L106-W120 HydrophobicContact CD1-CH2 3.92Å; L106-W120 HydrophobicContact CD1-CZ2 4.4Å; L106-V158 CarbonylContact O-C 3.53Å; L106-V158 WeakPolarHBondContact O-CA 3.35Å; L106-A159 HydrophobicContact CB-CB 4.37Å; L106-A159 PolarHBondContact N-O 3Å; L106-A159 PolarHBondContact O-N 2.9Å
107S89.9Confident75.4Confident4 Ų450.5 Ų50.53%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-151.9170.416763.20000111.1C60 N62 N157C60-S107 PolarHBondContact N-O 3.48Å; C60-S107 PolarHBondContact O-N 2.85Å; C60-S107 PolarHBondContact SG-O 2.9Å; N62-S107 VanDerWaalsContact CG-OG 3.24Å; N62-S107 PolarHBondContact ND2-OG 3.44Å; N62-S107 PolarHBondContact OD1-OG 3.38Å; S107-N157 WeakPolarHBondContact CB-O 3.17Å
108S90.2Very high77.4Confident5 Ų551.5 Ų51.54%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-73.6146.4168170.70000109.4D58 G110 Y111 Y118D58-S108 VanDerWaalsContact CG-OG 3.29Å; D58-S108 WeakPolarHBondContact OD1-CB 3.23Å; D58-S108 PolarHBondContact OD1-OG 3.02Å; D58-S108 PolarHBondContact OD2-OG 3.49Å; S108-G110 PolarHBondContact OG-N 3.03Å; S108-Y111 WeakPolarHBondContact OG-CA 3.24Å; S108-Y111 VanDerWaalsContact OG-CB 3.24Å; S108-Y111 WeakPolarHBondContact OG-CB 3.47Å; S108-Y111 PolarHBondContact OG-N 2.88Å; S108-Y118 VanDerWaalsContact N-CE2 3.3Å; S108-Y118 PolarHBondContact N-OH 3.04Å
109Y86.4Confident79.8Confident188 Ų18858 Ų5874%0.73731%0.31SS*.SBendtrans-79.9-42.9175.6-176-98.6000112.3D58D58-Y109 PolarHBondContact O-N 3.44Å; D58-Y109 PolarHBondContact OD2-N 3.38Å
110G88.1Confident82.4Confident49 Ų4958 Ų5851%0.50531%0.308SS..SBendtrans-114.6-20.1-173.300000115.7D58 S108D58-G110 PolarHBondContact OD2-N 3.4Å; S108-G110 PolarHBondContact OG-N 3.03Å
111Y91.6Very high84.5Confident85 Ų8561.9 Ų61.933%0.33334%0.34SS..  trans-94.6131.6-175.4-62.7-67.6000112.1W55 D58 S108 D115 V116 F156W55-Y111 AromaticContact CZ2-CE2 4Å; W55-Y111 HydrophobicContact CZ2-CE2 4Å; W55-Y111 AromaticContact NE1-CZ 3.92Å; W55-Y111 PolarHBondContact NE1-OH 3.43Å; W55-Y111 VanDerWaalsContact NE1-OH 3.16Å; D58-Y111 WeakPolarHBondContact OD1-CD2 3.49Å; S108-Y111 WeakPolarHBondContact OG-CA 3.24Å; S108-Y111 VanDerWaalsContact OG-CB 3.24Å; S108-Y111 WeakPolarHBondContact OG-CB 3.47Å; S108-Y111 PolarHBondContact OG-N 2.88Å; Y111-D115 HydrophobicContact CD1-CB 3.89Å; Y111-D115 HydrophobicContact CG-CB 4.25Å; Y111-V116 HydrophobicContact CD1-CG2 4.49Å; Y111-V116 HydrophobicContact CD2-CG2 3.8Å; Y111-V116 HydrophobicContact CG-CG2 3.71Å; Y111-F156 WeakPolarHBondContact O-CD1 3.48Å; Y111-F156 VanDerWaalsContact O-CE1 3.29Å; Y111-F156 WeakPolarHBondContact O-CE1 3.32Å
112T93.2Very high86Confident33 Ų3362.3 Ų62.320%0.20234%0.338CS..  trans-79.4172.3178.166.50000111.4H114 D115 V116 E155 F156T112-H114 PolarHBondContact O-N 2.91Å; T112-D115 PolarHBondContact N-OD2 3.39Å; T112-D115 PolarHBondContact O-N 3.07Å; T112-D115 PolarHBondContact OG1-OD2 2.63Å; T112-V116 PolarHBondContact O-N 3.13Å; T112-E155 WeakPolarHBondContact CA-O 3.28Å; T112-E155 WeakPolarHBondContact CB-O 3.25Å; T112-F156 HydrophobicContact CG2-CZ 4.48Å
113V93Very high86.2Confident26 Ų2664 Ų6416%0.15834%0.341CS..THydrogen-bonded Turntrans-53.6-26.6174.3175.10000112.5D115 V117 N148 E155 F156 N157V113-D115 VanDerWaalsContact C-N 3.3Å; V113-V117 WeakPolarHBondContact O-CG2 3.22Å; V113-N148 HydrophobicContact CG2-CB 4.47Å; V113-E155 HydrophobicContact CG2-CB 4.15Å; V113-E155 HydrophobicContact CG2-CG 3.86Å; V113-E155 WeakPolarHBondContact CG2-O 3.5Å; V113-E155 PolarHBondContact N-O 3.13Å; V113-F156 VanDerWaalsContact CG2-C 3.48Å; V113-N157 HydrophobicContact CG2-CB 4.05Å
114H92.1Very high85.6Confident168 Ų16869.7 Ų69.778%0.77836%0.363SS*.THydrogen-bonded Turntrans-74.2-20.8178.3-60.7-53.1000113.7T112T112-H114 PolarHBondContact O-N 2.91Å
115D92.5Very high84.2Confident105 Ų10576.8 Ų76.856%0.56140%0.4SS*.THydrogen-bonded Turntrans-105.1-47.5-174.1-57.6-56000111.5Y111 T112 V113Y111-D115 HydrophobicContact CD1-CB 3.89Å; Y111-D115 HydrophobicContact CG-CB 4.25Å; T112-D115 PolarHBondContact N-OD2 3.39Å; T112-D115 PolarHBondContact O-N 3.07Å; T112-D115 PolarHBondContact OG1-OD2 2.63Å; V113-D115 VanDerWaalsContact C-N 3.3Å
116V91.6Very high82.5Confident18 Ų1881.3 Ų81.311%0.10942%0.422CS..  trans-133.3128.1-176.8177.20000110.5W55 Y111 T112 Y118W55-V116 HydrophobicContact CH2-CG2 4.36Å; W55-V116 HydrophobicContact CZ2-CG2 4.45Å; Y111-V116 HydrophobicContact CD1-CG2 4.49Å; Y111-V116 HydrophobicContact CD2-CG2 3.8Å; Y111-V116 HydrophobicContact CG-CG2 3.71Å; T112-V116 PolarHBondContact O-N 3.13Å; V116-Y118 HydrophobicContact CG1-CD2 4.4Å; V116-Y118 HydrophobicContact CG1-CE2 3.86Å
117V92.8Very high81Confident80 Ų8083.8 Ų83.849%0.48543%0.434SS..  trans-122.1129.8175.6-176.30000108.5V113V113-V117 WeakPolarHBondContact O-CG2 3.22Å
118Y91Very high79.2Confident24 Ų2492.3 Ų92.39%0.09447%0.473CS..  trans-94.9131.8176.5-68.7-83.9000110.6T59 S108 V116 N157T59-Y118 WeakPolarHBondContact CA-OH 3.43Å; T59-Y118 WeakPolarHBondContact CB-OH 3.3Å; T59-Y118 HydrophobicContact CG2-CE1 3.87Å; T59-Y118 VanDerWaalsContact OG1-CE1 3.24Å; T59-Y118 WeakPolarHBondContact OG1-CE1 3.47Å; T59-Y118 PolarHBondContact OG1-OH 2.86Å; S108-Y118 VanDerWaalsContact N-CE2 3.3Å; S108-Y118 PolarHBondContact N-OH 3.04Å; V116-Y118 HydrophobicContact CG1-CD2 4.4Å; V116-Y118 HydrophobicContact CG1-CE2 3.86Å; Y118-N157 WeakPolarHBondContact CA-OD1 3.19Å; Y118-N157 WeakPolarHBondContact CB-OD1 3.17Å; Y118-N157 PolarHBondContact N-OD1 3.23Å; Y118-N157 PolarHBondContact O-OD1 3.34Å
119E89.4Confident77.5Confident168 Ų16897.1 Ų97.179%0.78550%0.498SS*.  trans-128.9142.1174-64.9-175.2166.600109.5A121E119-A121 PolarHBondContact O-N 3.47Å
120W86.6Confident76.1Confident58 Ų5893.6 Ų93.622%0.2249%0.492CS..  trans-77.2120174.8-68.1107.5000109.3M1 L106 V122 F144 A159 F161M1-W120 HydrophobicContact CB-CZ3 4.25Å; L106-W120 HydrophobicContact CD1-CH2 3.92Å; L106-W120 HydrophobicContact CD1-CZ2 4.4Å; W120-V122 PolarHBondContact O-N 3.31Å; W120-V122 VanDerWaalsContact O-N 3.13Å; W120-F144 AromaticContact CD2-CD1 3.84Å; W120-F144 HydrophobicContact CD2-CD1 3.84Å; W120-F144 AromaticContact CE2-CD1 3.85Å; W120-F144 HydrophobicContact CE3-CD1 4.02Å; W120-F144 HydrophobicContact CE3-CE1 4.45Å; W120-F144 HydrophobicContact CG-CB 4.39Å; W120-F144 HydrophobicContact CG-CD1 4.36Å; W120-F144 HydrophobicContact CH2-CD1 4.25Å; W120-F144 HydrophobicContact CZ2-CD1 4.07Å; W120-F144 HydrophobicContact CZ3-CD1 4.23Å; W120-F144 HydrophobicContact CZ3-CE1 4.4Å; W120-A159 HydrophobicContact CZ2-CB 3.82Å; W120-F161 HydrophobicContact CH2-CB 3.96Å; W120-F161 HydrophobicContact CZ2-CB 4.11Å
121A80.2Confident74.8Confident82 Ų8299.7 Ų99.768%0.67851%0.508SS*.SBendtrans-64.4-17-179.700000114.1E119E119-A121 PolarHBondContact O-N 3.47Å
122V71.3Confident73.5Confident58 Ų5896.5 Ų96.535%0.35250%0.496SS..SBendtrans-121.5124.3-171.9-176.60000108.4W120 Q126 I127W120-V122 PolarHBondContact O-N 3.31Å; W120-V122 VanDerWaalsContact O-N 3.13Å; V122-Q126 HydrophobicContact CG1-CB 3.49Å; V122-Q126 VanDerWaalsContact CG1-CB 3.49Å; V122-Q126 HydrophobicContact CG1-CG 3.96Å; V122-I127 HydrophobicContact CG1-CG1 4.42Å
123N64.9Low71.9Confident131 Ų13198.6 Ų98.670%0.70151%0.512SS*.  trans-61.4147.1169.6-72.2-18.6000109N125 Q126N123-N125 PolarHBondContact O-N 3.12Å; N123-Q126 PolarHBondContact O-N 2.93Å; N123-Q126 VanDerWaalsContact O-N 3.1Å
124E57.8Low70.8Confident136 Ų13697.9 Ų97.964%0.63651%0.507SS*.THydrogen-bonded Turntrans-43.2-20.6-172.7-62.2-179.8167.200116
125N51.6Low69.6Low150 Ų15095 Ų9580%0.80250%0.504SS*.THydrogen-bonded Turntrans-92.2-7-173.3-60.4-12000116.3N123N123-N125 PolarHBondContact O-N 3.12Å
126Q50Low68.3Low138 Ų13893.9 Ų93.965%0.64550%0.497SS*.  trans-108.517.4-173.6-32.1178.3-69.800115.3V122 N123 E128V122-Q126 HydrophobicContact CG1-CB 3.49Å; V122-Q126 VanDerWaalsContact CG1-CB 3.49Å; V122-Q126 HydrophobicContact CG1-CG 3.96Å; N123-Q126 PolarHBondContact O-N 2.93Å; N123-Q126 VanDerWaalsContact O-N 3.1Å; Q126-E128 PolarHBondContact O-N 3.32Å
127I56.9Low67.4Low53 Ų5394.1 Ų94.127%0.27250%0.497SS..  trans-87.697.7171.6-65.6171.1000107.2V122 L129 F144V122-I127 HydrophobicContact CG1-CG1 4.42Å; I127-L129 PolarHBondContact O-N 3.04Å; I127-L129 VanDerWaalsContact O-N 3.12Å; I127-F144 HydrophobicContact CD1-CD2 4.41Å; I127-F144 HydrophobicContact CD1-CE1 3.63Å; I127-F144 HydrophobicContact CD1-CE2 3.35Å; I127-F144 HydrophobicContact CD1-CZ 2.89Å; I127-F144 HydrophobicContact CG1-CZ 4.37Å
128E52.1Low66.3Low183 Ų18394.2 Ų94.286%0.85549%0.489SS*.  trans-56.8114.6166.3-71.1-176.1167.100107.6Q126 D130Q126-E128 PolarHBondContact O-N 3.32Å; E128-D130 PolarHBondContact O-N 3.48Å
129L54.6Low65.3Low106 Ų10694 Ų9456%0.55549%0.493SS*.  trans-71.6100.3178.1-69.595.1000107.8I127 E131 Y142I127-L129 PolarHBondContact O-N 3.04Å; I127-L129 VanDerWaalsContact O-N 3.12Å; L129-E131 PolarHBondContact O-N 3.46Å; L129-Y142 HydrophobicContact CD2-CD2 4.38Å; L129-Y142 HydrophobicContact CD2-CE2 3.86Å; L129-Y142 HydrophobicContact CG-CE2 4.05Å
130D57Low64.3Low114 Ų11491.7 Ų91.761%0.6148%0.48SS*.  trans-60.3129.1149-103.2-18.6000106.6E128 I132E128-D130 PolarHBondContact O-N 3.48Å; D130-I132 PolarHBondContact O-N 2.88Å
131E60.5Low63.6Low178 Ų17890.9 Ų90.983%0.83248%0.483SS*.  trans-6785.3-179.4-74.1-170.6170.900109.2L129 S133L129-E131 PolarHBondContact O-N 3.46Å; E131-S133 PolarHBondContact O-N 3.34Å
132I63.6Low63.3Low17 Ų1788.7 Ų88.79%0.08746%0.458CS..  trans-67.988.3169.8-53.3-177.8000106.9L3 I6 D130 L134 Y142L3-I132 HydrophobicContact CB-CD1 4.06Å; L3-I132 HydrophobicContact CD2-CD1 3.22Å; L3-I132 HydrophobicContact CG-CD1 3.4Å; I6-I132 HydrophobicContact CB-CG2 4.18Å; I6-I132 HydrophobicContact CD1-CG2 4.19Å; I6-I132 HydrophobicContact CG1-CG2 4.04Å; D130-I132 PolarHBondContact O-N 2.88Å; I132-L134 HydrophobicContact CG2-CD1 3.9Å; I132-Y142 WeakPolarHBondContact CD1-OH 3.32Å
133S60.7Low63.6Low77 Ų7789.9 Ų89.954%0.53846%0.462SS..BIsolated β-bridgetrans-95.998.9175.356.60000108.1E131E131-S133 PolarHBondContact O-N 3.34Å
134L69.6Low64.4Low11 Ų1184.9 Ų84.96%0.05843%0.434CS..  trans-77.3155.7163-6199.5000108.6I6 I9 I132 D136 F137 L165I6-L134 HydrophobicContact CB-CD1 4.12Å; I6-L134 HydrophobicContact CB-CD2 3.98Å; I6-L134 HydrophobicContact CB-CG 4.32Å; I6-L134 HydrophobicContact CD1-CD1 4.33Å; I6-L134 HydrophobicContact CG2-CD2 3.75Å; I6-L134 WeakPolarHBondContact O-CD2 3.38Å; I9-L134 HydrophobicContact CD1-CD1 4.42Å; I9-L134 HydrophobicContact CD1-CD2 3.52Å; I9-L134 HydrophobicContact CG1-CD2 3.76Å; I132-L134 HydrophobicContact CG2-CD1 3.9Å; L134-D136 VanDerWaalsContact C-N 3.26Å; L134-D136 PolarHBondContact O-N 3Å; L134-F137 CarbonylContact C-O 3.58Å; L134-F137 WeakPolarHBondContact CA-O 3.34Å; L134-F137 HydrophobicContact CB-CB 4.16Å; L134-F137 WeakPolarHBondContact CB-O 3.32Å; L134-F137 HydrophobicContact CD1-CB 4.2Å; L134-F137 PolarHBondContact N-O 3.45Å; L134-L165 HydrophobicContact CD1-CD2 4.25Å
135P66.3Low65.7Low109 Ų10981.3 Ų81.371%0.70842%0.424SS*.SBendtrans-55-43.2175.8-26.334.6000112.5
136D66.1Low67.5Low80 Ų8077.1 Ų77.143%0.42840%0.403SS..SBendtrans-102.7-15-173.6-64.7-42.2000114.4L134 R167 R168L134-D136 VanDerWaalsContact C-N 3.26Å; L134-D136 PolarHBondContact O-N 3Å; D136-R167 CarbonylContact O-C 3.57Å; D136-R167 WeakPolarHBondContact O-CA 3.36Å; D136-R167 WeakPolarHBondContact O-CG 3.47Å; D136-R168 PolarHBondContact O-N 3.41Å
137F71.7Confident69.4Low24 Ų2473.9 Ų73.911%0.10539%0.387CS..EExtended strand (participates in β ladder)trans-134.6150.1-174.5-63.3-91.2000111.5I9 E11 L134 L165 K166 R167I9-F137 HydrophobicContact CB-CE2 4.49Å; I9-F137 HydrophobicContact CD1-CB 4.33Å; I9-F137 HydrophobicContact CD1-CD2 3.74Å; I9-F137 HydrophobicContact CD1-CE2 4.22Å; I9-F137 HydrophobicContact CD1-CG 4.06Å; I9-F137 HydrophobicContact CG2-CE2 4.43Å; E11-F137 HydrophobicContact CG-CZ 4.41Å; E11-F137 WeakPolarHBondContact OE1-CZ 3.35Å; L134-F137 CarbonylContact C-O 3.58Å; L134-F137 WeakPolarHBondContact CA-O 3.34Å; L134-F137 HydrophobicContact CB-CB 4.16Å; L134-F137 WeakPolarHBondContact CB-O 3.32Å; L134-F137 HydrophobicContact CD1-CB 4.2Å; L134-F137 PolarHBondContact N-O 3.45Å; F137-L165 HydrophobicContact CB-CB 4.46Å; F137-L165 HydrophobicContact CD1-CB 4.25Å; F137-K166 WeakPolarHBondContact CA-O 3.39Å; F137-R167 HydrophobicContact CD1-CB 3.94Å; F137-R167 HydrophobicContact CD1-CG 4.31Å; F137-R167 HydrophobicContact CE1-CB 3.75Å; F137-R167 HydrophobicContact CE1-CG 3.98Å; F137-R167 HydrophobicContact CZ-CG 4.31Å
138Y70.4Confident71.2Confident81 Ų8174.9 Ų74.932%0.31839%0.393SS..EExtended strand (participates in β ladder)trans-128142.4168.466.8-84.7000109.5K140 K166 R168Y138-K140 PolarHBondContact O-N 2.94Å; Y138-K166 HydrophobicContact CD1-CB 4.22Å; Y138-K166 WeakPolarHBondContact CD1-O 3.29Å; Y138-K166 HydrophobicContact CD2-CB 4.45Å; Y138-K166 HydrophobicContact CE1-CB 3.75Å; Y138-K166 HydrophobicContact CE1-CD 4.11Å; Y138-K166 HydrophobicContact CE1-CG 3.64Å; Y138-K166 HydrophobicContact CE2-CB 4.02Å; Y138-K166 HydrophobicContact CE2-CD 4.34Å; Y138-K166 HydrophobicContact CE2-CG 4.41Å; Y138-K166 PolarHBondContact N-O 2.96Å; Y138-K166 PolarHBondContact O-N 3.41Å; Y138-K166 WeakPolarHBondContact OH-CD 3.33Å; Y138-K166 WeakPolarHBondContact OH-CE 3.18Å; Y138-K166 PolarHBondContact OH-NZ 3.1Å; Y138-R168 HydrophobicContact CD1-CG 3.88Å; Y138-R168 HydrophobicContact CE1-CG 4.47Å
139A71Confident73Confident20 Ų2067.5 Ų67.517%0.16536%0.36CS..EExtended strand (participates in β ladder)trans-67.9123.6173.600000109.5V163 L165A139-V163 HydrophobicContact CB-CG1 4.28Å; A139-L165 HydrophobicContact CB-CD2 4.34Å
140K68Low74.7Confident119 Ų11968 Ų6852%0.51737%0.367SS..EExtended strand (participates in β ladder)trans-87.7-46.3175.8-176-174.4175.9-169.80110.9Y138 I164 K166Y138-K140 PolarHBondContact O-N 2.94Å; K140-I164 HydrophobicContact CB-CG2 4.21Å; K140-I164 WeakPolarHBondContact CB-O 3.48Å; K140-I164 HydrophobicContact CD-CG2 4.35Å; K140-I164 PolarHBondContact N-O 3.08Å; K140-K166 HydrophobicContact CB-CB 4.37Å
141S71Confident76.2Confident41 Ų4167.5 Ų67.529%0.28736%0.357SS..EExtended strand (participates in β ladder)trans-163.6159.2-178.2560000110.5I164S141-I164 PolarHBondContact O-N 3Å; S141-I164 WeakPolarHBondContact OG-CD1 3.41Å
142Y75Confident77.6Confident36 Ų3666.7 Ų66.714%0.14137%0.365CS..EExtended strand (participates in β ladder)trans-110.3143.4172.3-59.6-78.6000109.3L3 L129 I132 F161 C162 V163L3-Y142 HydrophobicContact CD2-CE1 4.11Å; L129-Y142 HydrophobicContact CD2-CD2 4.38Å; L129-Y142 HydrophobicContact CD2-CE2 3.86Å; L129-Y142 HydrophobicContact CG-CE2 4.05Å; I132-Y142 WeakPolarHBondContact CD1-OH 3.32Å; Y142-F161 HydrophobicContact CD1-CE1 4.45Å; Y142-F161 AromaticContact CD1-CE2 3.49Å; Y142-F161 HydrophobicContact CD1-CE2 3.49Å; Y142-F161 VanDerWaalsContact CD1-CE2 3.49Å; Y142-F161 AromaticContact CD1-CZ 3.39Å; Y142-F161 HydrophobicContact CD1-CZ 3.39Å; Y142-F161 HydrophobicContact CE1-CE2 4.33Å; Y142-F161 AromaticContact CE1-CZ 3.8Å; Y142-F161 HydrophobicContact CE1-CZ 3.8Å; Y142-F161 HydrophobicContact CG-CE2 4.03Å; Y142-F161 HydrophobicContact CG-CZ 4.33Å; Y142-C162 CarbonylContact C-O 3.35Å; Y142-C162 WeakPolarHBondContact CA-O 3.44Å; Y142-V163 HydrophobicContact CD1-CB 4.17Å; Y142-V163 HydrophobicContact CD1-CG1 3.94Å; Y142-V163 HydrophobicContact CD1-CG2 3.8Å; Y142-V163 HydrophobicContact CE1-CB 4.12Å; Y142-V163 HydrophobicContact CE1-CG1 3.52Å; Y142-V163 HydrophobicContact CE1-CG2 3.71Å
143L77.3Confident78.9Confident83 Ų8370 Ų7044%0.43539%0.394SS..EExtended strand (participates in β ladder)trans-125134.2175.5-68.8172.9000109.5F161 C162 I164L143-F161 WeakPolarHBondContact O-CA 3.37Å; L143-C162 HydrophobicContact CB-CB 4.28Å; L143-C162 PolarHBondContact N-O 3.1Å; L143-C162 PolarHBondContact O-N 3.49Å; L143-I164 HydrophobicContact CD1-CD1 3.56Å; L143-I164 HydrophobicContact CD1-CG1 4.33Å; L143-I164 HydrophobicContact CG-CD1 4.12Å
144F81.7Confident80.3Confident27 Ų2767.6 Ų67.612%0.11838%0.382CS..EExtended strand (participates in β ladder)trans-114.2133.3175.8-58.3-88.4000107.8W120 I127 K160 F161W120-F144 AromaticContact CD2-CD1 3.84Å; W120-F144 HydrophobicContact CD2-CD1 3.84Å; W120-F144 AromaticContact CE2-CD1 3.85Å; W120-F144 HydrophobicContact CE3-CD1 4.02Å; W120-F144 HydrophobicContact CE3-CE1 4.45Å; W120-F144 HydrophobicContact CG-CB 4.39Å; W120-F144 HydrophobicContact CG-CD1 4.36Å; W120-F144 HydrophobicContact CH2-CD1 4.25Å; W120-F144 HydrophobicContact CZ2-CD1 4.07Å; W120-F144 HydrophobicContact CZ3-CD1 4.23Å; W120-F144 HydrophobicContact CZ3-CE1 4.4Å; I127-F144 HydrophobicContact CD1-CD2 4.41Å; I127-F144 HydrophobicContact CD1-CE1 3.63Å; I127-F144 HydrophobicContact CD1-CE2 3.35Å; I127-F144 HydrophobicContact CD1-CZ 2.89Å; I127-F144 HydrophobicContact CG1-CZ 4.37Å; F144-K160 WeakPolarHBondContact CA-O 3.16Å; F144-F161 AromaticContact CD1-CD2 3.86Å; F144-F161 HydrophobicContact CD1-CD2 3.86Å; F144-F161 HydrophobicContact CE1-CB 4.46Å; F144-F161 AromaticContact CE1-CD2 3.16Å; F144-F161 HydrophobicContact CE1-CD2 3.16Å; F144-F161 AromaticContact CE1-CE2 3.63Å; F144-F161 HydrophobicContact CE1-CE2 3.63Å; F144-F161 HydrophobicContact CE1-CG 4.21Å; F144-F161 HydrophobicContact CE2-CD2 4.38Å; F144-F161 HydrophobicContact CE2-CE2 4.44Å; F144-F161 AromaticContact CZ-CD2 3.4Å; F144-F161 HydrophobicContact CZ-CD2 3.4Å; F144-F161 AromaticContact CZ-CE2 3.42Å; F144-F161 HydrophobicContact CZ-CE2 3.42Å; F144-F161 VanDerWaalsContact CZ-CE2 3.42Å
145S84.7Confident81.5Confident61 Ų6171 Ų7143%0.42740%0.398SS..EExtended strand (participates in β ladder)trans-143.7143.1174.8-179.20000108.6K160S145-K160 PolarHBondContact N-O 3Å; S145-K160 WeakPolarHBondContact O-CA 3.39Å; S145-K160 PolarHBondContact O-N 3.36Å
146V89.4Confident82.8Confident61 Ų6166.6 Ų66.637%0.3737%0.367SS..EExtended strand (participates in β ladder)trans-115.9128.4168.5-178.60000106.1N157V146-N157 WeakPolarHBondContact CG1-ND2 3.46Å
147K91Very high84.1Confident71 Ų7163.2 Ų63.231%0.30935%0.349SS..EExtended strand (participates in β ladder)trans-138153.9177.263.2166.6-175.4159.50110.1N149 V158 K160K147-N149 VanDerWaalsContact CD-OD1 3.29Å; K147-N149 WeakPolarHBondContact CD-OD1 3.34Å; K147-N149 WeakPolarHBondContact CE-OD1 3.2Å; K147-N149 PolarHBondContact NZ-ND2 3.08Å; K147-N149 PolarHBondContact NZ-OD1 3.43Å; K147-V158 HydrophobicContact CG-CB 4.39Å; K147-V158 PolarHBondContact N-O 3.23Å; K147-V158 WeakPolarHBondContact O-CA 3.38Å; K147-V158 PolarHBondContact O-N 3.41Å; K147-K160 HydrophobicContact CD-CD 4.13Å; K147-K160 HydrophobicContact CG-CD 4.43Å
148N92.7Very high85Confident74 Ų7462.1 Ų62.140%0.39634%0.344SS..EExtended strand (participates in β ladder)trans-92.5126.3168.7-64.6-3.7000109.1V113 E155 F156 N157V113-N148 HydrophobicContact CG2-CB 4.47Å; N148-E155 HydrophobicContact CB-CG 3.96Å; N148-E155 WeakPolarHBondContact CB-OE1 3.21Å; N148-E155 PolarHBondContact ND2-OE1 3.34Å; N148-F156 WeakPolarHBondContact CA-O 3.32Å; N148-N157 PolarHBondContact OD1-ND2 3.01Å
149N90.3Very high86Confident28 Ų2858.5 Ų58.515%0.1533%0.331CS..EExtended strand (participates in β ladder)trans-105.5135.3172.3-77.5-8.8000109K147 Y151 F156 V158K147-N149 VanDerWaalsContact CD-OD1 3.29Å; K147-N149 WeakPolarHBondContact CD-OD1 3.34Å; K147-N149 WeakPolarHBondContact CE-OD1 3.2Å; K147-N149 PolarHBondContact NZ-ND2 3.08Å; K147-N149 PolarHBondContact NZ-OD1 3.43Å; N149-Y151 HydrophobicContact CB-CD2 4.19Å; N149-Y151 HydrophobicContact CB-CE2 3.45Å; N149-Y151 VanDerWaalsContact CB-CE2 3.45Å; N149-Y151 PolarHBondContact ND2-OH 3.37Å; N149-Y151 VanDerWaalsContact ND2-OH 3.07Å; N149-F156 PolarHBondContact N-O 2.99Å; N149-F156 PolarHBondContact O-N 3.43Å; N149-V158 HydrophobicContact CB-CG2 3.83Å
150T92Very high86.7Confident116 Ų11659.6 Ų59.671%0.71233%0.332SS*.EExtended strand (participates in β ladder)trans-91.3123.6172.250.30000109.9E155T150-E155 HydrophobicContact CG2-CB 4.42Å; T150-E155 HydrophobicContact CG2-CG 4.04Å
151Y88.4Confident87.5Confident104 Ų10454.3 Ų54.341%0.40831%0.309SS..EExtended strand (participates in β ladder)trans-116.2168.8172.8-62.7-84.3000109.4N149 A153 G154 F156N149-Y151 HydrophobicContact CB-CD2 4.19Å; N149-Y151 HydrophobicContact CB-CE2 3.45Å; N149-Y151 VanDerWaalsContact CB-CE2 3.45Å; N149-Y151 PolarHBondContact ND2-OH 3.37Å; N149-Y151 VanDerWaalsContact ND2-OH 3.07Å; Y151-A153 PolarHBondContact O-N 2.86Å; Y151-A153 VanDerWaalsContact O-N 3.14Å; Y151-G154 PolarHBondContact N-O 3.5Å; Y151-G154 PolarHBondContact O-N 3.46Å; Y151-G154 VanDerWaalsContact O-O 3.08Å; Y151-F156 HydrophobicContact CD2-CB 4.1Å; Y151-F156 AromaticContact CD2-CD2 3.66Å; Y151-F156 HydrophobicContact CD2-CD2 3.66Å; Y151-F156 HydrophobicContact CD2-CE2 4.46Å; Y151-F156 HydrophobicContact CD2-CG 4.16Å; Y151-F156 HydrophobicContact CE2-CB 4.15Å; Y151-F156 HydrophobicContact CE2-CD2 4.49Å; Y151-F156 HydrophobicContact CG-CD2 4.44Å
152T89.6Confident87.9Confident161 Ų16153 Ų5399%0.98830%0.3SS*.THydrogen-bonded Turntrans-57.5-29.7177.3-50.30000112.8
153A89.6Confident88Confident85 Ų8552.3 Ų52.370%0.70230%0.3SS*.THydrogen-bonded Turntrans-81.1-14.9179.400000114.3Y151 F156Y151-A153 PolarHBondContact O-N 2.86Å; Y151-A153 VanDerWaalsContact O-N 3.14Å; A153-F156 HydrophobicContact CB-CE2 4.02Å; A153-F156 HydrophobicContact CB-CZ 4.21Å
154G91Very high87.8Confident27 Ų2749.8 Ų49.828%0.27829%0.286SS..EExtended strand (participates in β ladder)trans145.9-173.9-17500000113.1Y151 F156Y151-G154 PolarHBondContact N-O 3.5Å; Y151-G154 PolarHBondContact O-N 3.46Å; Y151-G154 VanDerWaalsContact O-O 3.08Å; G154-F156 WeakPolarHBondContact O-CD2 3.24Å
155E94.3Very high87.4Confident83 Ų8350.4 Ų50.439%0.38829%0.29SS..EExtended strand (participates in β ladder)trans-89.8129.1172.6-162.4-179.216500109.4T112 V113 N148 T150T112-E155 WeakPolarHBondContact CA-O 3.28Å; T112-E155 WeakPolarHBondContact CB-O 3.25Å; V113-E155 HydrophobicContact CG2-CB 4.15Å; V113-E155 HydrophobicContact CG2-CG 3.86Å; V113-E155 WeakPolarHBondContact CG2-O 3.5Å; V113-E155 PolarHBondContact N-O 3.13Å; N148-E155 HydrophobicContact CB-CG 3.96Å; N148-E155 WeakPolarHBondContact CB-OE1 3.21Å; N148-E155 PolarHBondContact ND2-OE1 3.34Å; T150-E155 HydrophobicContact CG2-CB 4.42Å; T150-E155 HydrophobicContact CG2-CG 4.04Å
156F93.1Very high86.6Confident16 Ų1651.6 Ų51.67%0.0729%0.288CS..EExtended strand (participates in β ladder)trans-121.6139.1-179.3-69.2-102000110.1Y111 T112 V113 N148 N149 Y151 A153 G154Y111-F156 WeakPolarHBondContact O-CD1 3.48Å; Y111-F156 VanDerWaalsContact O-CE1 3.29Å; Y111-F156 WeakPolarHBondContact O-CE1 3.32Å; T112-F156 HydrophobicContact CG2-CZ 4.48Å; V113-F156 VanDerWaalsContact CG2-C 3.48Å; N148-F156 WeakPolarHBondContact CA-O 3.32Å; N149-F156 PolarHBondContact N-O 2.99Å; N149-F156 PolarHBondContact O-N 3.43Å; Y151-F156 HydrophobicContact CD2-CB 4.1Å; Y151-F156 AromaticContact CD2-CD2 3.66Å; Y151-F156 HydrophobicContact CD2-CD2 3.66Å; Y151-F156 HydrophobicContact CD2-CE2 4.46Å; Y151-F156 HydrophobicContact CD2-CG 4.16Å; Y151-F156 HydrophobicContact CE2-CB 4.15Å; Y151-F156 HydrophobicContact CE2-CD2 4.49Å; Y151-F156 HydrophobicContact CG-CD2 4.44Å; A153-F156 HydrophobicContact CB-CE2 4.02Å; A153-F156 HydrophobicContact CB-CZ 4.21Å; G154-F156 WeakPolarHBondContact O-CD2 3.24Å
157N93.8Very high85.7Confident10 Ų1053 Ų535%0.05329%0.287CS..EExtended strand (participates in β ladder)trans-82.4122.7175.5-170.3-103.2000109.3S107 V113 Y118 V146 N148S107-N157 WeakPolarHBondContact CB-O 3.17Å; V113-N157 HydrophobicContact CG2-CB 4.05Å; Y118-N157 WeakPolarHBondContact CA-OD1 3.19Å; Y118-N157 WeakPolarHBondContact CB-OD1 3.17Å; Y118-N157 PolarHBondContact N-OD1 3.23Å; Y118-N157 PolarHBondContact O-OD1 3.34Å; V146-N157 WeakPolarHBondContact CG1-ND2 3.46Å; N148-N157 PolarHBondContact OD1-ND2 3.01Å
158V91.9Very high84.6Confident0 Ų055.4 Ų55.40%029%0.294CS..EExtended strand (participates in β ladder)trans-118.6116.2-174.9-174.30000109.9E105 L106 K147 N149 K160E105-V158 HydrophobicContact CB-CG1 4.15Å; L106-V158 CarbonylContact O-C 3.53Å; L106-V158 WeakPolarHBondContact O-CA 3.35Å; K147-V158 HydrophobicContact CG-CB 4.39Å; K147-V158 PolarHBondContact N-O 3.23Å; K147-V158 WeakPolarHBondContact O-CA 3.38Å; K147-V158 PolarHBondContact O-N 3.41Å; N149-V158 HydrophobicContact CB-CG2 3.83Å; V158-K160 HydrophobicContact CG1-CG 4.31Å
159A89.6Confident83.2Confident5 Ų554.8 Ų54.84%0.04130%0.295CS..EExtended strand (participates in β ladder)trans-88.7116.1171.700000109.5L106 W120L106-A159 HydrophobicContact CB-CB 4.37Å; L106-A159 PolarHBondContact N-O 3Å; L106-A159 PolarHBondContact O-N 2.9Å; W120-A159 HydrophobicContact CZ2-CB 3.82Å
160K87.2Confident82Confident43 Ų4355.4 Ų55.419%0.18731%0.308CS..EExtended strand (participates in β ladder)trans-101.1130.2177.5-63.9-165.6137.4-164.40111.1L104 E105 F144 S145 K147 V158L104-K160 CarbonylContact O-C 3.52Å; L104-K160 WeakPolarHBondContact O-CA 3.22Å; E105-K160 HydrophobicContact CG-CG 4.28Å; E105-K160 WeakPolarHBondContact OE1-CE 3.24Å; E105-K160 IonicContact OE1-NZ 3.53Å; E105-K160 PolarHBondContact OE1-NZ 3Å; F144-K160 WeakPolarHBondContact CA-O 3.16Å; S145-K160 PolarHBondContact N-O 3Å; S145-K160 WeakPolarHBondContact O-CA 3.39Å; S145-K160 PolarHBondContact O-N 3.36Å; K147-K160 HydrophobicContact CD-CD 4.13Å; K147-K160 HydrophobicContact CG-CD 4.43Å; V158-K160 HydrophobicContact CG1-CG 4.31Å
161F83.4Confident80.7Confident8 Ų856.4 Ų56.44%0.03530%0.303CS..EExtended strand (participates in β ladder)trans-116.4128.4164.2165.2-103.1000109.6M1 L3 G103 L104 W120 Y142 L143 F144 V163M1-F161 HydrophobicContact CE-CB 3.87Å; M1-F161 HydrophobicContact CE-CD1 3.31Å; M1-F161 HydrophobicContact CE-CD2 3.73Å; M1-F161 HydrophobicContact CE-CE1 3.44Å; M1-F161 VanDerWaalsContact CE-CE1 3.44Å; M1-F161 HydrophobicContact CE-CE2 3.87Å; M1-F161 HydrophobicContact CE-CG 3.36Å; M1-F161 HydrophobicContact CE-CZ 3.69Å; L3-F161 HydrophobicContact CD2-CE1 4.3Å; L3-F161 HydrophobicContact CD2-CZ 4.25Å; G103-F161 CarbonylContact C-O 3.52Å; G103-F161 WeakPolarHBondContact CA-O 3.34Å; L104-F161 HydrophobicContact CB-CB 4.09Å; L104-F161 HydrophobicContact CB-CD1 3.97Å; L104-F161 HydrophobicContact CD1-CD1 3.63Å; L104-F161 HydrophobicContact CD1-CE1 4.02Å; L104-F161 HydrophobicContact CG-CD1 4.06Å; L104-F161 PolarHBondContact N-O 2.91Å; L104-F161 PolarHBondContact O-N 3.27Å; W120-F161 HydrophobicContact CH2-CB 3.96Å; W120-F161 HydrophobicContact CZ2-CB 4.11Å; Y142-F161 HydrophobicContact CD1-CE1 4.45Å; Y142-F161 AromaticContact CD1-CE2 3.49Å; Y142-F161 HydrophobicContact CD1-CE2 3.49Å; Y142-F161 VanDerWaalsContact CD1-CE2 3.49Å; Y142-F161 AromaticContact CD1-CZ 3.39Å; Y142-F161 HydrophobicContact CD1-CZ 3.39Å; Y142-F161 HydrophobicContact CE1-CE2 4.33Å; Y142-F161 AromaticContact CE1-CZ 3.8Å; Y142-F161 HydrophobicContact CE1-CZ 3.8Å; Y142-F161 HydrophobicContact CG-CE2 4.03Å; Y142-F161 HydrophobicContact CG-CZ 4.33Å; L143-F161 WeakPolarHBondContact O-CA 3.37Å; F144-F161 AromaticContact CD1-CD2 3.86Å; F144-F161 HydrophobicContact CD1-CD2 3.86Å; F144-F161 HydrophobicContact CE1-CB 4.46Å; F144-F161 AromaticContact CE1-CD2 3.16Å; F144-F161 HydrophobicContact CE1-CD2 3.16Å; F144-F161 AromaticContact CE1-CE2 3.63Å; F144-F161 HydrophobicContact CE1-CE2 3.63Å; F144-F161 HydrophobicContact CE1-CG 4.21Å; F144-F161 HydrophobicContact CE2-CD2 4.38Å; F144-F161 HydrophobicContact CE2-CE2 4.44Å; F144-F161 AromaticContact CZ-CD2 3.4Å; F144-F161 HydrophobicContact CZ-CD2 3.4Å; F144-F161 AromaticContact CZ-CE2 3.42Å; F144-F161 HydrophobicContact CZ-CE2 3.42Å; F144-F161 VanDerWaalsContact CZ-CE2 3.42Å; F161-V163 HydrophobicContact CD1-CG2 4.07Å; F161-V163 HydrophobicContact CE1-CG2 3.25Å; F161-V163 HydrophobicContact CE2-CG2 4.48Å; F161-V163 HydrophobicContact CZ-CG2 3.54Å
162C79.4Confident79.4Confident13 Ų1352.5 Ų52.59%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-124.9129.1179.4-176.20000110.8Y142 L143 C363Y142-C162 CarbonylContact C-O 3.35Å; Y142-C162 WeakPolarHBondContact CA-O 3.44Å; L143-C162 HydrophobicContact CB-CB 4.28Å; L143-C162 PolarHBondContact N-O 3.1Å; L143-C162 PolarHBondContact O-N 3.49Å; C162-C363 HydrophobicContact CB-CB 3.57Å; C162-C363 WeakPolarHBondContact CB-SG 3.45Å; C162-C363 WeakPolarHBondContact SG-CB 3.41Å; C162-C363 CovalentContact SG-SG 2.01Å; C162-C363 PolarHBondContact SG-SG 3.44Å
163V76.7Confident78.4Confident23 Ų2348.8 Ų48.814%0.13926%0.261CS..EExtended strand (participates in β ladder)trans-98.1115.4173-170.90000108.3L3 I6 A139 Y142 F161 L165L3-V163 HydrophobicContact CD2-CG2 4.16Å; I6-V163 HydrophobicContact CD1-CG1 4.46Å; A139-V163 HydrophobicContact CB-CG1 4.28Å; Y142-V163 HydrophobicContact CD1-CB 4.17Å; Y142-V163 HydrophobicContact CD1-CG1 3.94Å; Y142-V163 HydrophobicContact CD1-CG2 3.8Å; Y142-V163 HydrophobicContact CE1-CB 4.12Å; Y142-V163 HydrophobicContact CE1-CG1 3.52Å; Y142-V163 HydrophobicContact CE1-CG2 3.71Å; F161-V163 HydrophobicContact CD1-CG2 4.07Å; F161-V163 HydrophobicContact CE1-CG2 3.25Å; F161-V163 HydrophobicContact CE2-CG2 4.48Å; F161-V163 HydrophobicContact CZ-CG2 3.54Å; V163-L165 HydrophobicContact CG1-CD2 3.65Å; V163-L165 HydrophobicContact CG1-CG 3.92Å; V163-L165 PolarHBondContact O-N 2.83Å
164I74Confident77.6Confident30 Ų3049.3 Ų49.315%0.15425%0.251CS..EExtended strand (participates in β ladder)trans-83.3101.5171.8-62.3174.8000107.6K140 S141 L143K140-I164 HydrophobicContact CB-CG2 4.21Å; K140-I164 WeakPolarHBondContact CB-O 3.48Å; K140-I164 HydrophobicContact CD-CG2 4.35Å; K140-I164 PolarHBondContact N-O 3.08Å; S141-I164 PolarHBondContact O-N 3Å; S141-I164 WeakPolarHBondContact OG-CD1 3.41Å; L143-I164 HydrophobicContact CD1-CD1 3.56Å; L143-I164 HydrophobicContact CD1-CG1 4.33Å; L143-I164 HydrophobicContact CG-CD1 4.12Å
165L73.2Confident76.5Confident39 Ų3952.3 Ų52.320%0.20426%0.261CS..EExtended strand (participates in β ladder)trans-88.5132.9175.1-62.9172.3000110.2I6 I9 L134 F137 A139 V163I6-L165 HydrophobicContact CD1-CD1 4.45Å; I6-L165 HydrophobicContact CD1-CD2 4.15Å; I9-L165 HydrophobicContact CD1-CD1 3.46Å; I9-L165 VanDerWaalsContact CD1-CD1 3.46Å; L134-L165 HydrophobicContact CD1-CD2 4.25Å; F137-L165 HydrophobicContact CB-CB 4.46Å; F137-L165 HydrophobicContact CD1-CB 4.25Å; A139-L165 HydrophobicContact CB-CD2 4.34Å; V163-L165 HydrophobicContact CG1-CD2 3.65Å; V163-L165 HydrophobicContact CG1-CG 3.92Å; V163-L165 PolarHBondContact O-N 2.83Å
166K68.1Low75.4Confident87 Ų8749 Ų4938%0.37825%0.246SC..EExtended strand (participates in β ladder)trans-109.5129.6170.9-176.8162162.5-165.10109.4F137 Y138 K140F137-K166 WeakPolarHBondContact CA-O 3.39Å; Y138-K166 HydrophobicContact CD1-CB 4.22Å; Y138-K166 WeakPolarHBondContact CD1-O 3.29Å; Y138-K166 HydrophobicContact CD2-CB 4.45Å; Y138-K166 HydrophobicContact CE1-CB 3.75Å; Y138-K166 HydrophobicContact CE1-CD 4.11Å; Y138-K166 HydrophobicContact CE1-CG 3.64Å; Y138-K166 HydrophobicContact CE2-CB 4.02Å; Y138-K166 HydrophobicContact CE2-CD 4.34Å; Y138-K166 HydrophobicContact CE2-CG 4.41Å; Y138-K166 PolarHBondContact N-O 2.96Å; Y138-K166 PolarHBondContact O-N 3.41Å; Y138-K166 WeakPolarHBondContact OH-CD 3.33Å; Y138-K166 WeakPolarHBondContact OH-CE 3.18Å; Y138-K166 PolarHBondContact OH-NZ 3.1Å; K140-K166 HydrophobicContact CB-CB 4.37Å
167R71Confident74.7Confident91 Ų9148.6 Ų48.634%0.34324%0.244SC..EExtended strand (participates in β ladder)trans-71.1136.7177.5-167.5-170.1-60.6-108-1.9110.7E11 D136 F137 S169E11-R167 IonicContact OE1-CZ 3.59Å; E11-R167 IonicContact OE1-NH1 2.68Å; E11-R167 PolarHBondContact OE1-NH1 3.3Å; E11-R167 IonicContact OE1-NH2 2.62Å; E11-R167 PolarHBondContact OE1-NH2 3.01Å; E11-R167 IonicContact OE2-CZ 2.84Å; E11-R167 IonicContact OE2-NH1 3.71Å; E11-R167 IonicContact OE2-NH2 3.21Å; E11-R167 PolarHBondContact OE2-NH2 3.39Å; D136-R167 CarbonylContact O-C 3.57Å; D136-R167 WeakPolarHBondContact O-CA 3.36Å; D136-R167 WeakPolarHBondContact O-CG 3.47Å; F137-R167 HydrophobicContact CD1-CB 3.94Å; F137-R167 HydrophobicContact CD1-CG 4.31Å; F137-R167 HydrophobicContact CE1-CB 3.75Å; F137-R167 HydrophobicContact CE1-CG 3.98Å; F137-R167 HydrophobicContact CZ-CG 4.31Å; R167-S169 PolarHBondContact O-N 3.01Å
168R66.6Low74.1Confident120 Ų12052.2 Ų52.245%0.45326%0.263SS..  trans-71.6110.5164.5-67.6-176.7174.4174.4-3.1108.6D136 Y138 G170D136-R168 PolarHBondContact O-N 3.41Å; Y138-R168 HydrophobicContact CD1-CG 3.88Å; Y138-R168 HydrophobicContact CE1-CG 4.47Å; R168-G170 VanDerWaalsContact C-N 3.32Å; R168-G170 PolarHBondContact O-N 3.23Å
169S63.4Low73.6Confident61 Ų6154.7 Ų54.743%0.42728%0.279SS..Hα-helixtrans-76.6-17.4-178.355.40000113.6R167 F171 C172 F173R167-S169 PolarHBondContact O-N 3.01Å; S169-F171 PolarHBondContact O-N 3.06Å; S169-C172 PolarHBondContact O-N 3.11Å; S169-F173 VanDerWaalsContact O-CB 3.24Å; S169-F173 WeakPolarHBondContact O-CB 3.17Å; S169-F173 PolarHBondContact O-N 3.4Å
170G65.7Low73.2Confident41 Ų4154.6 Ų54.642%0.42328%0.278SS..Hα-helixtrans-59.7-46.9-170.800000114.5R168 F173 L174R168-G170 VanDerWaalsContact C-N 3.32Å; R168-G170 PolarHBondContact O-N 3.23Å; G170-F173 WeakPolarHBondContact O-CB 2.97Å; G170-F173 PolarHBondContact O-N 3.47Å; G170-L174 WeakPolarHBondContact O-CG 3.36Å; G170-L174 PolarHBondContact O-N 3.16Å
171F64.3Low73Confident138 Ų13854.5 Ų54.561%0.60528%0.281SS*.Hα-helixtrans-67-44.8179.5-178.8-102.5000112.1S169 F173 L174 N175S169-F171 PolarHBondContact O-N 3.06Å; F171-F173 VanDerWaalsContact C-N 3.26Å; F171-F173 PolarHBondContact O-N 3.25Å; F171-L174 PolarHBondContact O-N 3.39Å; F171-N175 WeakPolarHBondContact CE1-ND2 3.26Å; F171-N175 WeakPolarHBondContact CE2-ND2 3.32Å; F171-N175 WeakPolarHBondContact CZ-ND2 2.96Å; F171-N175 PolarHBondContact O-N 3.38Å; F171-N175 VanDerWaalsContact O-N 3.09Å
172C62Low73Confident21 Ų2156.5 Ų56.514%0.14230%0.299CS..Hα-helixtrans-61-37.9174-175.70000111.2S169 L176S169-C172 PolarHBondContact O-N 3.11Å; C172-L176 WeakPolarHBondContact O-CB 3.29Å; C172-L176 PolarHBondContact O-N 3.23Å
173F68.8Low73.1Confident84 Ų8457.1 Ų57.137%0.36830%0.302SS..Iπ-helixtrans-62.3-52.3177.9-177-92.4000111.9S169 G170 F171 F177 F350S169-F173 VanDerWaalsContact O-CB 3.24Å; S169-F173 WeakPolarHBondContact O-CB 3.17Å; S169-F173 PolarHBondContact O-N 3.4Å; G170-F173 WeakPolarHBondContact O-CB 2.97Å; G170-F173 PolarHBondContact O-N 3.47Å; F171-F173 VanDerWaalsContact C-N 3.26Å; F171-F173 PolarHBondContact O-N 3.25Å; F173-F177 HydrophobicContact CB-CD2 4.39Å; F173-F177 HydrophobicContact CD2-CB 4.29Å; F173-F177 AromaticContact CD2-CD2 3.66Å; F173-F177 HydrophobicContact CD2-CD2 3.66Å; F173-F177 HydrophobicContact CD2-CE2 4.03Å; F173-F177 AromaticContact CD2-CG 3.94Å; F173-F177 HydrophobicContact CD2-CG 3.94Å; F173-F177 HydrophobicContact CE2-CB 4.23Å; F173-F177 HydrophobicContact CE2-CD1 4.46Å; F173-F177 HydrophobicContact CE2-CD2 4.24Å; F173-F177 HydrophobicContact CE2-CG 4.05Å; F173-F177 HydrophobicContact CG-CD2 4.19Å; F173-F177 WeakPolarHBondContact O-CB 3.48Å; F173-F177 PolarHBondContact O-N 3.47Å; F173-F350 HydrophobicContact CD2-CE1 4.32Å; F173-F350 HydrophobicContact CE2-CD1 4.37Å; F173-F350 AromaticContact CE2-CE1 3.5Å; F173-F350 HydrophobicContact CE2-CE1 3.5Å; F173-F350 VanDerWaalsContact CE2-CE1 3.5Å; F173-F350 AromaticContact CE2-CZ 3.7Å; F173-F350 HydrophobicContact CE2-CZ 3.7Å; F173-F350 HydrophobicContact CZ-CE1 4.41Å; F173-F350 HydrophobicContact CZ-CZ 4.27Å
174L71.3Confident73.4Confident95 Ų9556.3 Ų56.350%0.49730%0.297SS..Iπ-helixtrans-64.7-43.3-177.4-66.7174.1000112.4G170 F171 I178G170-L174 WeakPolarHBondContact O-CG 3.36Å; G170-L174 PolarHBondContact O-N 3.16Å; F171-L174 PolarHBondContact O-N 3.39Å; L174-I178 HydrophobicContact CB-CD1 4.26Å; L174-I178 HydrophobicContact CD2-CD1 3.48Å; L174-I178 VanDerWaalsContact CD2-CD1 3.48Å; L174-I178 HydrophobicContact CG-CD1 4.48Å; L174-I178 VanDerWaalsContact O-CB 3.32Å; L174-I178 WeakPolarHBondContact O-CB 3.1Å; L174-I178 WeakPolarHBondContact O-CG1 3.11Å
175N69.6Low73.7Confident91 Ų9156.9 Ų56.949%0.48730%0.302SS..Iπ-helixtrans-81-20.2-176-73.3-22.7000114.4F171 P179F171-N175 WeakPolarHBondContact CE1-ND2 3.26Å; F171-N175 WeakPolarHBondContact CE2-ND2 3.32Å; F171-N175 WeakPolarHBondContact CZ-ND2 2.96Å; F171-N175 PolarHBondContact O-N 3.38Å; F171-N175 VanDerWaalsContact O-N 3.09Å; N175-P179 WeakPolarHBondContact O-CD 3.49Å; N175-P179 VanDerWaalsContact O-CG 3.28Å; N175-P179 WeakPolarHBondContact O-CG 3.45Å
176L71Confident73.9Confident13 Ų1357.8 Ų57.87%0.06831%0.312CS..Iπ-helixtrans-103.2-53.4-178.5-173.264.7000112.3C172 A180 F216 M234C172-L176 WeakPolarHBondContact O-CB 3.29Å; C172-L176 PolarHBondContact O-N 3.23Å; L176-A180 WeakPolarHBondContact O-CB 3.39Å; L176-A180 PolarHBondContact O-N 2.99Å; L176-A180 VanDerWaalsContact O-N 3.08Å; L176-F216 HydrophobicContact CD1-CB 4.38Å; L176-F216 HydrophobicContact CD1-CD2 3.59Å; L176-F216 HydrophobicContact CD1-CE2 4.16Å; L176-F216 HydrophobicContact CD1-CG 4.23Å; L176-F216 HydrophobicContact CD2-CD2 3.91Å; L176-F216 HydrophobicContact CD2-CE2 3.57Å; L176-F216 HydrophobicContact CD2-CZ 4.4Å; L176-F216 HydrophobicContact CG-CD2 4.38Å; L176-F216 HydrophobicContact CG-CE2 4.5Å; L176-M234 HydrophobicContact CD2-CB 4.42Å; L176-M234 HydrophobicContact CD2-SD 4.19Å
177F76.8Confident74.4Confident8 Ų853.7 Ų53.74%0.03529%0.294CS..Iπ-helixtrans-73.9-39.4-171.6-70.9-97.5000111.2F173 A180 T181 M234 Y237 Y349 F350F173-F177 HydrophobicContact CB-CD2 4.39Å; F173-F177 HydrophobicContact CD2-CB 4.29Å; F173-F177 AromaticContact CD2-CD2 3.66Å; F173-F177 HydrophobicContact CD2-CD2 3.66Å; F173-F177 HydrophobicContact CD2-CE2 4.03Å; F173-F177 AromaticContact CD2-CG 3.94Å; F173-F177 HydrophobicContact CD2-CG 3.94Å; F173-F177 HydrophobicContact CE2-CB 4.23Å; F173-F177 HydrophobicContact CE2-CD1 4.46Å; F173-F177 HydrophobicContact CE2-CD2 4.24Å; F173-F177 HydrophobicContact CE2-CG 4.05Å; F173-F177 HydrophobicContact CG-CD2 4.19Å; F173-F177 WeakPolarHBondContact O-CB 3.48Å; F173-F177 PolarHBondContact O-N 3.47Å; F177-A180 PolarHBondContact O-N 2.79Å; F177-T181 VanDerWaalsContact O-CB 3.32Å; F177-T181 WeakPolarHBondContact O-CB 3.15Å; F177-T181 VanDerWaalsContact O-CG2 3.26Å; F177-T181 WeakPolarHBondContact O-CG2 3.36Å; F177-T181 PolarHBondContact O-N 2.81Å; F177-T181 PolarHBondContact O-OG1 3.24Å; F177-M234 HydrophobicContact CE2-CE 3.94Å; F177-M234 HydrophobicContact CE2-SD 3.47Å; F177-M234 WeakPolarHBondContact CE2-SD 3.45Å; F177-M234 HydrophobicContact CZ-CE 4.28Å; F177-M234 HydrophobicContact CZ-SD 3.45Å; F177-M234 WeakPolarHBondContact CZ-SD 3.39Å; F177-Y237 AromaticContact CD1-CD1 3.54Å; F177-Y237 HydrophobicContact CD1-CD1 3.54Å; F177-Y237 HydrophobicContact CD1-CD2 4.25Å; F177-Y237 AromaticContact CD1-CE1 3.35Å; F177-Y237 HydrophobicContact CD1-CE1 3.35Å; F177-Y237 HydrophobicContact CD1-CE2 4.09Å; F177-Y237 AromaticContact CD1-CG 4Å; F177-Y237 HydrophobicContact CD1-CG 4Å; F177-Y237 AromaticContact CD1-CZ 3.65Å; F177-Y237 AromaticContact CE1-CD1 3.51Å; F177-Y237 HydrophobicContact CE1-CD1 3.51Å; F177-Y237 AromaticContact CE1-CD2 3.83Å; F177-Y237 HydrophobicContact CE1-CD2 3.83Å; F177-Y237 AromaticContact CE1-CE1 3.81Å; F177-Y237 HydrophobicContact CE1-CE1 3.81Å; F177-Y237 HydrophobicContact CE1-CE2 4.1Å; F177-Y237 AromaticContact CE1-CG 3.53Å; F177-Y237 HydrophobicContact CE1-CG 3.53Å; F177-Y237 HydrophobicContact CG-CE1 4.3Å; F177-Y237 HydrophobicContact CZ-CG 4.5Å; F177-Y349 HydrophobicContact CE1-CD1 4.43Å; F177-Y349 AromaticContact CE1-CE1 3.54Å; F177-Y349 HydrophobicContact CE1-CE1 3.54Å; F177-Y349 AromaticContact CZ-CE1 3.93Å; F177-Y349 HydrophobicContact CZ-CE1 3.93Å; F177-F350 AromaticContact CD1-CE1 3.92Å; F177-F350 HydrophobicContact CD1-CE1 3.92Å; F177-F350 AromaticContact CD1-CZ 3.59Å; F177-F350 HydrophobicContact CD1-CZ 3.59Å; F177-F350 AromaticContact CE1-CE1 3.75Å; F177-F350 HydrophobicContact CE1-CE1 3.75Å; F177-F350 AromaticContact CE1-CZ 3.84Å; F177-F350 HydrophobicContact CE1-CZ 3.84Å; F177-F350 HydrophobicContact CG-CZ 4.38Å; F177-F350 HydrophobicContact CZ-CE1 4.32Å
178I81.4Confident74.8Confident86 Ų8652.9 Ų52.944%0.44129%0.291SS..Hα-helixtrans-63.5-49.7-179.8-58.2177000111L174 T181 A182L174-I178 HydrophobicContact CB-CD1 4.26Å; L174-I178 HydrophobicContact CD2-CD1 3.48Å; L174-I178 VanDerWaalsContact CD2-CD1 3.48Å; L174-I178 HydrophobicContact CG-CD1 4.48Å; L174-I178 VanDerWaalsContact O-CB 3.32Å; L174-I178 WeakPolarHBondContact O-CB 3.1Å; L174-I178 WeakPolarHBondContact O-CG1 3.11Å; I178-T181 WeakPolarHBondContact CA-OG1 3.35Å; I178-T181 PolarHBondContact O-OG1 3.06Å; I178-A182 WeakPolarHBondContact O-CB 3.48Å; I178-A182 PolarHBondContact O-N 3.33Å
179P81.7Confident75.1Confident52 Ų5251.9 Ų51.934%0.33829%0.294SS..Hα-helixtrans-65.1-40.1175.2-25.938.5000113.2N175 T181 A182 V183 L212N175-P179 WeakPolarHBondContact O-CD 3.49Å; N175-P179 VanDerWaalsContact O-CG 3.28Å; N175-P179 WeakPolarHBondContact O-CG 3.45Å; P179-T181 PolarHBondContact O-N 3.15Å; P179-A182 PolarHBondContact O-N 3.34Å; P179-V183 VanDerWaalsContact O-CG2 3.25Å; P179-V183 WeakPolarHBondContact O-CG2 3.31Å; P179-V183 PolarHBondContact O-N 2.87Å; P179-L212 HydrophobicContact CB-CD1 4.01Å; P179-L212 HydrophobicContact CB-CD2 4.48Å
180A80.7Confident75.5Confident3 Ų349.5 Ų49.53%0.02528%0.277CS..Hα-helixtrans-61.4-47.2178.400000112.1L176 F177 V183 V184 L212 Y237L176-A180 WeakPolarHBondContact O-CB 3.39Å; L176-A180 PolarHBondContact O-N 2.99Å; L176-A180 VanDerWaalsContact O-N 3.08Å; F177-A180 PolarHBondContact O-N 2.79Å; A180-V183 PolarHBondContact O-N 3.15Å; A180-V184 WeakPolarHBondContact O-CG2 3.47Å; A180-V184 PolarHBondContact O-N 3.47Å; A180-V184 VanDerWaalsContact O-N 3.16Å; A180-L212 HydrophobicContact CB-CD2 3.73Å; A180-Y237 HydrophobicContact CB-CE1 4.25Å
181T83.4Confident75.7Confident41 Ų4147.7 Ų47.725%0.25226%0.258SS..Hα-helixtrans-64-43.7174.751.20000111.6F177 I178 P179 V183 V184 T185 Y237 F342F177-T181 VanDerWaalsContact O-CB 3.32Å; F177-T181 WeakPolarHBondContact O-CB 3.15Å; F177-T181 VanDerWaalsContact O-CG2 3.26Å; F177-T181 WeakPolarHBondContact O-CG2 3.36Å; F177-T181 PolarHBondContact O-N 2.81Å; F177-T181 PolarHBondContact O-OG1 3.24Å; I178-T181 WeakPolarHBondContact CA-OG1 3.35Å; I178-T181 PolarHBondContact O-OG1 3.06Å; P179-T181 PolarHBondContact O-N 3.15Å; T181-V183 PolarHBondContact O-N 2.84Å; T181-V184 PolarHBondContact O-N 3.38Å; T181-T185 WeakPolarHBondContact O-CB 3.24Å; T181-T185 VanDerWaalsContact O-CG2 3.24Å; T181-T185 WeakPolarHBondContact O-CG2 3.44Å; T181-T185 PolarHBondContact O-N 2.65Å; T181-T185 PolarHBondContact O-OG1 3Å; T181-Y237 HydrophobicContact CG2-CE1 4.47Å; T181-Y237 WeakPolarHBondContact CG2-OH 3.45Å; T181-F342 HydrophobicContact CG2-CE1 4.44Å; T181-F342 HydrophobicContact CG2-CZ 4.22Å
182A83.5Confident76.1Confident50 Ų5049 Ų4941%0.41326%0.259SS..Hα-helixtrans-56.5-38.3176.100000112.1I178 P179 T185 S186I178-A182 WeakPolarHBondContact O-CB 3.48Å; I178-A182 PolarHBondContact O-N 3.33Å; P179-A182 PolarHBondContact O-N 3.34Å; A182-T185 VanDerWaalsContact CA-OG1 3.24Å; A182-T185 WeakPolarHBondContact CA-OG1 3.08Å; A182-T185 CarbonylContact O-C 3.46Å; A182-T185 PolarHBondContact O-OG1 3.43Å; A182-T185 VanDerWaalsContact O-OG1 3.08Å; A182-S186 WeakPolarHBondContact O-CB 3.32Å; A182-S186 PolarHBondContact O-N 3.45Å
183V81.1Confident76.3Confident25 Ų2552.1 Ų52.115%0.15227%0.273CS..Hα-helixtrans-70.1-45.3178.3172.30000112.1P179 A180 T181 T185 S186 S187 I205 A208 I209P179-V183 VanDerWaalsContact O-CG2 3.25Å; P179-V183 WeakPolarHBondContact O-CG2 3.31Å; P179-V183 PolarHBondContact O-N 2.87Å; A180-V183 PolarHBondContact O-N 3.15Å; T181-V183 PolarHBondContact O-N 2.84Å; V183-T185 VanDerWaalsContact C-N 3.31Å; V183-T185 PolarHBondContact O-N 3.47Å; V183-S186 WeakPolarHBondContact O-CB 3.2Å; V183-S186 PolarHBondContact O-N 3.26Å; V183-S186 VanDerWaalsContact O-N 3.11Å; V183-S187 PolarHBondContact O-N 2.85Å; V183-I205 HydrophobicContact CG1-CG2 4.21Å; V183-A208 HydrophobicContact CG2-CB 4.05Å; V183-I209 HydrophobicContact CG1-CD1 4.03Å; V183-I209 HydrophobicContact CG1-CG1 3.34Å
184V83.1Confident76Confident7 Ų756.2 Ų56.24%0.04229%0.293CS..Hα-helixtrans-64-39.6174.8178.10000110.9A180 T181 S186 S187 W188 C241 F244 F342A180-V184 WeakPolarHBondContact O-CG2 3.47Å; A180-V184 PolarHBondContact O-N 3.47Å; A180-V184 VanDerWaalsContact O-N 3.16Å; T181-V184 PolarHBondContact O-N 3.38Å; V184-S186 PolarHBondContact O-N 3.46Å; V184-S187 PolarHBondContact O-N 3.49Å; V184-S187 PolarHBondContact O-OG 2.9Å; V184-W188 PolarHBondContact O-N 3.37Å; V184-C241 HydrophobicContact CG2-CB 3.65Å; V184-F244 HydrophobicContact CG1-CB 4.23Å; V184-F342 HydrophobicContact CB-CE1 4.34Å; V184-F342 HydrophobicContact CB-CE2 4.35Å; V184-F342 HydrophobicContact CB-CZ 4.08Å; V184-F342 HydrophobicContact CG1-CD1 4.03Å; V184-F342 HydrophobicContact CG1-CD2 3.93Å; V184-F342 HydrophobicContact CG1-CE1 4.02Å; V184-F342 HydrophobicContact CG1-CE2 3.92Å; V184-F342 HydrophobicContact CG1-CG 3.98Å; V184-F342 HydrophobicContact CG1-CZ 3.96Å; V184-F342 HydrophobicContact CG2-CE2 4.23Å; V184-F342 HydrophobicContact CG2-CZ 4.26Å
185T81.9Confident75.3Confident41 Ų4157.7 Ų57.725%0.25230%0.301SS..Hα-helixtrans-76.8-6.5175.1620000113.7T181 A182 V183 W188 I189T181-T185 WeakPolarHBondContact O-CB 3.24Å; T181-T185 VanDerWaalsContact O-CG2 3.24Å; T181-T185 WeakPolarHBondContact O-CG2 3.44Å; T181-T185 PolarHBondContact O-N 2.65Å; T181-T185 PolarHBondContact O-OG1 3Å; A182-T185 VanDerWaalsContact CA-OG1 3.24Å; A182-T185 WeakPolarHBondContact CA-OG1 3.08Å; A182-T185 CarbonylContact O-C 3.46Å; A182-T185 PolarHBondContact O-OG1 3.43Å; A182-T185 VanDerWaalsContact O-OG1 3.08Å; V183-T185 VanDerWaalsContact C-N 3.31Å; V183-T185 PolarHBondContact O-N 3.47Å; T185-W188 VanDerWaalsContact CA-CE2 3.47Å; T185-W188 VanDerWaalsContact CB-CE2 3.48Å; T185-W188 VanDerWaalsContact CB-CZ2 3.47Å; T185-W188 HydrophobicContact CG2-CD2 4.35Å; T185-W188 HydrophobicContact CG2-CH2 3.5Å; T185-W188 VanDerWaalsContact CG2-CH2 3.5Å; T185-W188 HydrophobicContact CG2-CZ2 3.15Å; T185-W188 HydrophobicContact CG2-CZ3 4.19Å; T185-W188 PolarHBondContact O-NE1 2.93Å; T185-I189 WeakPolarHBondContact O-CD1 3.41Å; T185-I189 WeakPolarHBondContact O-CG1 3.34Å
186S77.5Confident74.7Confident58 Ų5860.6 Ų60.641%0.40631%0.312SS..Hα-helixtrans-85.2-40.7164.6-176.30000109.8A182 V183 V184 W188 I189 S190A182-S186 WeakPolarHBondContact O-CB 3.32Å; A182-S186 PolarHBondContact O-N 3.45Å; V183-S186 WeakPolarHBondContact O-CB 3.2Å; V183-S186 PolarHBondContact O-N 3.26Å; V183-S186 VanDerWaalsContact O-N 3.11Å; V184-S186 PolarHBondContact O-N 3.46Å; S186-W188 VanDerWaalsContact C-N 3.32Å; S186-W188 PolarHBondContact O-N 3.44Å; S186-I189 PolarHBondContact O-N 3.46Å; S186-I189 VanDerWaalsContact O-N 3.1Å; S186-S190 PolarHBondContact O-N 2.63Å
187S77.8Confident73.7Confident2 Ų264.3 Ų64.31%0.01434%0.335CS..Hα-helixtrans-64.1-34.2-177.2890000113.3V183 V184 S190 S248V183-S187 PolarHBondContact O-N 2.85Å; V184-S187 PolarHBondContact O-N 3.49Å; V184-S187 PolarHBondContact O-OG 2.9Å; S187-S190 PolarHBondContact O-OG 2.83Å; S187-S248 WeakPolarHBondContact CB-OG 3.2Å; S187-S248 PolarHBondContact OG-OG 3.29Å
188W78.7Confident73Confident73 Ų7365.1 Ų65.128%0.27734%0.339SS..THydrogen-bonded Turntrans-74.8-23.9175.471.8-4.2000114.2V184 T185 S186 S190 L191 P339V184-W188 PolarHBondContact O-N 3.37Å; T185-W188 VanDerWaalsContact CA-CE2 3.47Å; T185-W188 VanDerWaalsContact CB-CE2 3.48Å; T185-W188 VanDerWaalsContact CB-CZ2 3.47Å; T185-W188 HydrophobicContact CG2-CD2 4.35Å; T185-W188 HydrophobicContact CG2-CH2 3.5Å; T185-W188 VanDerWaalsContact CG2-CH2 3.5Å; T185-W188 HydrophobicContact CG2-CZ2 3.15Å; T185-W188 HydrophobicContact CG2-CZ3 4.19Å; T185-W188 PolarHBondContact O-NE1 2.93Å; S186-W188 VanDerWaalsContact C-N 3.32Å; S186-W188 PolarHBondContact O-N 3.44Å; W188-S190 VanDerWaalsContact C-N 3.33Å; W188-L191 WeakPolarHBondContact O-CB 3.47Å; W188-L191 WeakPolarHBondContact O-CG 3.24Å; W188-L191 PolarHBondContact O-N 3.12Å; W188-L191 VanDerWaalsContact O-N 3.13Å; W188-P339 HydrophobicContact CD2-CB 4.45Å; W188-P339 HydrophobicContact CD2-CG 4.22Å; W188-P339 HydrophobicContact CE3-CB 3.47Å; W188-P339 VanDerWaalsContact CE3-CB 3.47Å; W188-P339 HydrophobicContact CE3-CG 3.59Å; W188-P339 HydrophobicContact CZ3-CB 3.58Å; W188-P339 HydrophobicContact CZ3-CG 4.22Å
189I74.3Confident71.9Confident99 Ų9967 Ų6751%0.50834%0.344SS..G310 helixtrans-75.7-35.8-177-76.4167000107.2T185 S186 L191 W192T185-I189 WeakPolarHBondContact O-CD1 3.41Å; T185-I189 WeakPolarHBondContact O-CG1 3.34Å; S186-I189 PolarHBondContact O-N 3.46Å; S186-I189 VanDerWaalsContact O-N 3.1Å; I189-L191 PolarHBondContact O-N 3.01Å; I189-W192 WeakPolarHBondContact O-CB 3.31Å; I189-W192 PolarHBondContact O-N 3.39Å
190S70.1Confident71.1Confident11 Ų1168.1 Ų68.18%0.07735%0.353CS..G310 helixtrans-56.7-23.5171.6790000112.9S186 S187 W188 W192 M193 Q198 L252S186-S190 PolarHBondContact O-N 2.63Å; S187-S190 PolarHBondContact O-OG 2.83Å; W188-S190 VanDerWaalsContact C-N 3.33Å; S190-W192 VanDerWaalsContact C-N 3.26Å; S190-W192 PolarHBondContact O-N 2.87Å; S190-M193 PolarHBondContact O-N 3.24Å; S190-Q198 PolarHBondContact O-NE2 3.31Å; S190-L252 WeakPolarHBondContact OG-CD1 3.36Å
191L70.1Confident70.5Confident3 Ų370.9 Ų70.92%0.01637%0.368CS..G310 helixtrans-73.5-13.3175.1-54.5178.1000114.3W188 I189 K251 L252 H331 Q335 L338W188-L191 WeakPolarHBondContact O-CB 3.47Å; W188-L191 WeakPolarHBondContact O-CG 3.24Å; W188-L191 PolarHBondContact O-N 3.12Å; W188-L191 VanDerWaalsContact O-N 3.13Å; I189-L191 PolarHBondContact O-N 3.01Å; L191-K251 HydrophobicContact CD1-CD 4.18Å; L191-K251 HydrophobicContact CD2-CD 3.4Å; L191-K251 VanDerWaalsContact CD2-CD 3.4Å; L191-K251 HydrophobicContact CG-CD 4.36Å; L191-L252 HydrophobicContact CD2-CD1 4.49Å; L191-L252 HydrophobicContact CD2-CD2 3.69Å; L191-L252 HydrophobicContact CD2-CG 3.76Å; L191-H331 PolarHBondContact O-CE1 2.53Å; L191-Q335 HydrophobicContact CB-CG 4.38Å; L191-Q335 PolarHBondContact O-NE2 3.35Å; L191-L338 HydrophobicContact CD1-CD1 3.93Å
192W72.8Confident69.7Low166 Ų16670.3 Ų70.363%0.62936%0.362SS*.THydrogen-bonded Turntrans-95.8-17.2176.9-70.386.7000112.6I189 S190 E194 Q335I189-W192 WeakPolarHBondContact O-CB 3.31Å; I189-W192 PolarHBondContact O-N 3.39Å; S190-W192 VanDerWaalsContact C-N 3.26Å; S190-W192 PolarHBondContact O-N 2.87Å; W192-E194 PolarHBondContact O-N 2.86Å; W192-Q335 HydrophobicContact CZ2-CB 4.41Å
193M67.2Low69.1Low87 Ų8774.2 Ų74.243%0.42937%0.37SS..  trans-77119.1179.4-65.1-112.1-73.500109.6S190 Q198S190-M193 PolarHBondContact O-N 3.24Å; M193-Q198 PolarHBondContact O-NE2 3.5Å
194E61.6Low68.7Low170 Ų17075.9 Ų75.979%0.79439%0.386SS*.  trans-92.6-8.9-176.8-95.6159.6170.100113.6W192W192-E194 PolarHBondContact O-N 2.86Å
195D56.4Low68.2Low125 Ų12576 Ų7667%0.66839%0.387SS*.SBendtrans-97.6151.7-170.6-65.6-41.1000114.1T197D195-T197 PolarHBondContact O-N 3.41Å
196E56.8Low67.8Low152 Ų15276.9 Ų76.971%0.7139%0.389SS*.SBendtrans-60.65.8-167.7-67-146.9168.100116.1Q198 K263E196-Q198 PolarHBondContact O-N 3.08Å; E196-K263 IonicContact OE1-NZ 3.09Å; E196-K263 PolarHBondContact OE1-NZ 3.35Å; E196-K263 VanDerWaalsContact OE1-NZ 3.09Å
197T51.3Low67.9Low91 Ų9179.7 Ų79.756%0.55840%0.399SS*.  trans-95.783.8173.956.20000111.4D195D195-T197 PolarHBondContact O-N 3.41Å
198Q61.2Low67.9Low26 Ų2681.3 Ų81.312%0.12141%0.413CS..  trans-142.82.9-178.5-88.4-174.6-14.500115.3S190 M193 E196 K256S190-Q198 PolarHBondContact O-NE2 3.31Å; M193-Q198 PolarHBondContact O-NE2 3.5Å; E196-Q198 PolarHBondContact O-N 3.08Å; Q198-K256 PolarHBondContact O-NZ 2.83Å; Q198-K256 VanDerWaalsContact O-NZ 3.16Å
199F59.8Low67.7Low126 Ų12678.7 Ų78.755%0.55340%0.404SS*.Hα-helixtrans-87.5-40.2177.6-76.1-72000112.2D201 M202 F203 K256F199-D201 VanDerWaalsContact C-N 3.3Å; F199-D201 PolarHBondContact O-N 2.98Å; F199-M202 PolarHBondContact O-N 3.16Å; F199-F203 WeakPolarHBondContact O-CD2 3.42Å; F199-F203 PolarHBondContact O-N 2.92Å; F199-K256 HydrophobicContact CE1-CD 3.96Å; F199-K256 HydrophobicContact CE2-CD 4.05Å; F199-K256 HydrophobicContact CZ-CD 3.59Å
200S64.5Low67.8Low74 Ų7478.6 Ų78.652%0.51740%0.403SS..Hα-helixtrans-56-45.9175.346.80000112M202 F203 A204S200-M202 VanDerWaalsContact C-N 3.34Å; S200-M202 PolarHBondContact O-N 3.26Å; S200-F203 PolarHBondContact O-N 3.34Å; S200-A204 PolarHBondContact O-N 2.79Å; S200-A204 VanDerWaalsContact O-N 3.09Å
201D67.2Low68.3Low62 Ų6284.9 Ų84.933%0.33243%0.43SS..Hα-helixtrans-72-33-170.3-57.94.9000111.3F199 A204 I205F199-D201 VanDerWaalsContact C-N 3.3Å; F199-D201 PolarHBondContact O-N 2.98Å; D201-A204 PolarHBondContact O-N 2.84Å; D201-I205 WeakPolarHBondContact O-CD1 3.44Å; D201-I205 VanDerWaalsContact O-CG1 3.3Å; D201-I205 WeakPolarHBondContact O-CG1 3.42Å; D201-I205 PolarHBondContact O-N 3.27Å
202M66.7Low68.5Low28 Ų2885.9 Ų85.914%0.13844%0.435CS..Hα-helixtrans-63-45173.6166170119.400111.8F199 S200 A204 I205 I206 L249 I253F199-M202 PolarHBondContact O-N 3.16Å; S200-M202 VanDerWaalsContact C-N 3.34Å; S200-M202 PolarHBondContact O-N 3.26Å; M202-A204 VanDerWaalsContact C-N 3.31Å; M202-A204 PolarHBondContact O-N 2.89Å; M202-I205 PolarHBondContact O-N 2.88Å; M202-I206 HydrophobicContact CG-CD1 4.01Å; M202-I206 WeakPolarHBondContact O-CG1 3.22Å; M202-I206 PolarHBondContact O-N 3.01Å; M202-I206 VanDerWaalsContact O-N 3.08Å; M202-L249 HydrophobicContact CB-CD2 4.03Å; M202-L249 HydrophobicContact CG-CD2 3.5Å; M202-L249 VanDerWaalsContact CG-CD2 3.5Å; M202-L249 HydrophobicContact CG-CG 4.5Å; M202-L249 HydrophobicContact SD-CD2 4.03Å; M202-I253 HydrophobicContact SD-CG1 4.43Å
203F70.5Confident68.4Low133 Ų13380.1 Ų80.158%0.58342%0.42SS*.Hα-helixtrans-64.9-38.1176.9-71-66000111.5F199 S200 I205 I206 L207F199-F203 WeakPolarHBondContact O-CD2 3.42Å; F199-F203 PolarHBondContact O-N 2.92Å; S200-F203 PolarHBondContact O-N 3.34Å; F203-I205 PolarHBondContact O-N 2.71Å; F203-I206 PolarHBondContact O-N 3.39Å; F203-L207 VanDerWaalsContact O-CB 3.28Å; F203-L207 WeakPolarHBondContact O-CB 3.36Å; F203-L207 PolarHBondContact O-N 3.43Å
204A73.2Confident68.7Low59 Ų5983.2 Ų83.249%0.48843%0.431SS..Hα-helixtrans-61.9-42.5176.200000112.2S200 D201 M202 L207 A208S200-A204 PolarHBondContact O-N 2.79Å; S200-A204 VanDerWaalsContact O-N 3.09Å; D201-A204 PolarHBondContact O-N 2.84Å; M202-A204 VanDerWaalsContact C-N 3.31Å; M202-A204 PolarHBondContact O-N 2.89Å; A204-L207 PolarHBondContact O-N 2.9Å; A204-A208 WeakPolarHBondContact O-CB 3.23Å; A204-A208 PolarHBondContact O-N 2.98Å
205I73.1Confident69.3Low11 Ų1177.6 Ų77.66%0.05641%0.411CS..Hα-helixtrans-65.6-46.6177.5-67.5159000111.1V183 D201 M202 F203 L207 A208 I209V183-I205 HydrophobicContact CG1-CG2 4.21Å; D201-I205 WeakPolarHBondContact O-CD1 3.44Å; D201-I205 VanDerWaalsContact O-CG1 3.3Å; D201-I205 WeakPolarHBondContact O-CG1 3.42Å; D201-I205 PolarHBondContact O-N 3.27Å; M202-I205 PolarHBondContact O-N 2.88Å; F203-I205 PolarHBondContact O-N 2.71Å; I205-L207 VanDerWaalsContact C-N 3.3Å; I205-L207 PolarHBondContact O-N 2.9Å; I205-A208 PolarHBondContact O-N 3.26Å; I205-I209 HydrophobicContact CG2-CD1 3.98Å; I205-I209 VanDerWaalsContact O-CG1 3.29Å; I205-I209 WeakPolarHBondContact O-CG1 3.43Å; I205-I209 PolarHBondContact O-N 3.34Å
206I72.7Confident69.8Low58 Ų5872.7 Ų72.730%0.29738%0.383SS..Hα-helixtrans-59.1-45.9177.5-65.1165.9000110.2M202 F203 A208 I209 I210 L249M202-I206 HydrophobicContact CG-CD1 4.01Å; M202-I206 WeakPolarHBondContact O-CG1 3.22Å; M202-I206 PolarHBondContact O-N 3.01Å; M202-I206 VanDerWaalsContact O-N 3.08Å; F203-I206 PolarHBondContact O-N 3.39Å; I206-A208 VanDerWaalsContact C-N 3.33Å; I206-A208 PolarHBondContact O-N 3.46Å; I206-I209 PolarHBondContact O-N 3.19Å; I206-I210 HydrophobicContact CG2-CD1 3.75Å; I206-I210 HydrophobicContact CG2-CG1 4.44Å; I206-I210 WeakPolarHBondContact O-CG1 3.45Å; I206-I210 PolarHBondContact O-N 3.36Å; I206-L249 HydrophobicContact CD1-CD1 3.77Å; I206-L249 HydrophobicContact CG1-CD1 3.35Å
207L80.5Confident70.3Confident118 Ų11869.9 Ų69.962%0.61837%0.373SS*.Hα-helixtrans-62.2-41.7178.8-174.265.4000111.4F203 A204 I205 I209 I210 F211F203-L207 VanDerWaalsContact O-CB 3.28Å; F203-L207 WeakPolarHBondContact O-CB 3.36Å; F203-L207 PolarHBondContact O-N 3.43Å; A204-L207 PolarHBondContact O-N 2.9Å; I205-L207 VanDerWaalsContact C-N 3.3Å; I205-L207 PolarHBondContact O-N 2.9Å; L207-I209 PolarHBondContact O-N 2.85Å; L207-I210 PolarHBondContact O-N 3.4Å; L207-F211 VanDerWaalsContact O-CB 3.22Å; L207-F211 WeakPolarHBondContact O-CB 3.02Å; L207-F211 PolarHBondContact O-N 3.31Å
208A78Confident71.1Confident36 Ų3669.1 Ų69.130%0.29838%0.376SS..Hα-helixtrans-62.2-40.5176.400000112.3V183 A204 I205 I206 F211 L212V183-A208 HydrophobicContact CG2-CB 4.05Å; A204-A208 WeakPolarHBondContact O-CB 3.23Å; A204-A208 PolarHBondContact O-N 2.98Å; I205-A208 PolarHBondContact O-N 3.26Å; I206-A208 VanDerWaalsContact C-N 3.33Å; I206-A208 PolarHBondContact O-N 3.46Å; A208-F211 PolarHBondContact O-N 2.86Å; A208-L212 VanDerWaalsContact O-CB 3.32Å; A208-L212 WeakPolarHBondContact O-CB 3.44Å; A208-L212 PolarHBondContact O-N 3.4Å
209I73.4Confident71.2Confident17 Ų1773.3 Ų73.39%0.08740%0.404CS..Hα-helixtrans-65.4-46.3176.8-64.2165.7000111.1V183 I205 I206 L207 F211 L212 S213 F242 A245V183-I209 HydrophobicContact CG1-CD1 4.03Å; V183-I209 HydrophobicContact CG1-CG1 3.34Å; I205-I209 HydrophobicContact CG2-CD1 3.98Å; I205-I209 VanDerWaalsContact O-CG1 3.29Å; I205-I209 WeakPolarHBondContact O-CG1 3.43Å; I205-I209 PolarHBondContact O-N 3.34Å; I206-I209 PolarHBondContact O-N 3.19Å; L207-I209 PolarHBondContact O-N 2.85Å; I209-F211 VanDerWaalsContact C-N 3.33Å; I209-L212 PolarHBondContact O-N 3.32Å; I209-S213 WeakPolarHBondContact O-CB 3.12Å; I209-S213 PolarHBondContact O-N 3Å; I209-F242 HydrophobicContact CG2-CD2 3.5Å; I209-F242 VanDerWaalsContact CG2-CD2 3.5Å; I209-F242 HydrophobicContact CG2-CE2 4.06Å; I209-A245 HydrophobicContact CD1-CB 3.26Å; I209-A245 HydrophobicContact CG1-CB 4.5Å
210I76Confident71.3Confident97 Ų9768.9 Ų68.950%0.49739%0.385SS..Hα-helixtrans-62.2-44.7178-67.3169.5000110I206 L207 S213 F214I206-I210 HydrophobicContact CG2-CD1 3.75Å; I206-I210 HydrophobicContact CG2-CG1 4.44Å; I206-I210 WeakPolarHBondContact O-CG1 3.45Å; I206-I210 PolarHBondContact O-N 3.36Å; L207-I210 PolarHBondContact O-N 3.4Å; I210-S213 PolarHBondContact O-N 2.89Å; I210-F214 WeakPolarHBondContact O-CB 3.46Å; I210-F214 PolarHBondContact O-N 2.93Å
211F81.1Confident71Confident144 Ų14466.3 Ų66.363%0.63237%0.366SS*.Hα-helixtrans-61.5-44.7177.9-176.8-99.1000111.9L207 A208 I209 S213 F214 S215L207-F211 VanDerWaalsContact O-CB 3.22Å; L207-F211 WeakPolarHBondContact O-CB 3.02Å; L207-F211 PolarHBondContact O-N 3.31Å; A208-F211 PolarHBondContact O-N 2.86Å; I209-F211 VanDerWaalsContact C-N 3.33Å; F211-S213 PolarHBondContact O-N 3.07Å; F211-F214 PolarHBondContact O-N 2.99Å; F211-S215 WeakPolarHBondContact O-CB 3.25Å; F211-S215 PolarHBondContact O-N 3.43Å
212L75.1Confident70.3Confident23 Ų2372.9 Ų72.912%0.1239%0.392CS..Hα-helixtrans-63.5-42177.1-173.765.2000111.8P179 A180 A208 I209 S215 F216 L238P179-L212 HydrophobicContact CB-CD1 4.01Å; P179-L212 HydrophobicContact CB-CD2 4.48Å; A180-L212 HydrophobicContact CB-CD2 3.73Å; A208-L212 VanDerWaalsContact O-CB 3.32Å; A208-L212 WeakPolarHBondContact O-CB 3.44Å; A208-L212 PolarHBondContact O-N 3.4Å; I209-L212 PolarHBondContact O-N 3.32Å; L212-S215 PolarHBondContact O-N 2.91Å; L212-F216 PolarHBondContact O-N 2.87Å; L212-L238 HydrophobicContact CD2-CD1 4.18Å
213S71.2Confident69.6Low45 Ų4573.9 Ų73.932%0.31540%0.399SS..Hα-helixtrans-63.4-42.6175.7-176.30000111.9I209 I210 F211 F216 N217I209-S213 WeakPolarHBondContact O-CB 3.12Å; I209-S213 PolarHBondContact O-N 3Å; I210-S213 PolarHBondContact O-N 2.89Å; F211-S213 PolarHBondContact O-N 3.07Å; S213-F216 PolarHBondContact O-N 3.29Å; S213-N217 PolarHBondContact O-N 2.94Å; S213-N217 PolarHBondContact O-ND2 3.35Å
214F72.7Confident68.6Low152 Ų15273.8 Ų73.867%0.66742%0.415SS*.Hα-helixtrans-64.9-43.9176.1-173-99.4000111.7I210 F211 F216 N217 A218I210-F214 WeakPolarHBondContact O-CB 3.46Å; I210-F214 PolarHBondContact O-N 2.93Å; F211-F214 PolarHBondContact O-N 2.99Å; F214-F216 VanDerWaalsContact C-N 3.29Å; F214-F216 PolarHBondContact O-N 3.15Å; F214-N217 PolarHBondContact O-N 3.26Å; F214-A218 PolarHBondContact O-N 3.36Å
215S74.3Confident67.3Low53 Ų5377.6 Ų77.637%0.37142%0.418SS..Hα-helixtrans-59.5-39.4176.7-171.30000111.9F211 L212 A218 V219F211-S215 WeakPolarHBondContact O-CB 3.25Å; F211-S215 PolarHBondContact O-N 3.43Å; L212-S215 PolarHBondContact O-N 2.91Å; S215-A218 PolarHBondContact O-N 3.06Å; S215-V219 WeakPolarHBondContact O-CG2 3.4Å; S215-V219 PolarHBondContact O-N 3.26Å
216F66.8Low65.7Low21 Ų2184.9 Ų84.99%0.09246%0.455CS..Hα-helixtrans-68.5-44.1177.2-176.7-104.1000112.2L176 L212 S213 F214 A218 V219 M220 M234 D235 L238L176-F216 HydrophobicContact CD1-CB 4.38Å; L176-F216 HydrophobicContact CD1-CD2 3.59Å; L176-F216 HydrophobicContact CD1-CE2 4.16Å; L176-F216 HydrophobicContact CD1-CG 4.23Å; L176-F216 HydrophobicContact CD2-CD2 3.91Å; L176-F216 HydrophobicContact CD2-CE2 3.57Å; L176-F216 HydrophobicContact CD2-CZ 4.4Å; L176-F216 HydrophobicContact CG-CD2 4.38Å; L176-F216 HydrophobicContact CG-CE2 4.5Å; L212-F216 PolarHBondContact O-N 2.87Å; S213-F216 PolarHBondContact O-N 3.29Å; F214-F216 VanDerWaalsContact C-N 3.29Å; F214-F216 PolarHBondContact O-N 3.15Å; F216-A218 PolarHBondContact O-N 3.09Å; F216-V219 PolarHBondContact O-N 3.41Å; F216-M220 HydrophobicContact CD1-CG 4.21Å; F216-M220 HydrophobicContact CD2-CE 4.32Å; F216-M220 HydrophobicContact CD2-CG 3.97Å; F216-M220 HydrophobicContact CE1-CB 4.43Å; F216-M220 HydrophobicContact CE1-CG 3.8Å; F216-M220 HydrophobicContact CE2-CE 3.39Å; F216-M220 HydrophobicContact CE2-CG 3.55Å; F216-M220 HydrophobicContact CE2-SD 4.27Å; F216-M220 HydrophobicContact CG-CG 4.31Å; F216-M220 HydrophobicContact CZ-CE 3.78Å; F216-M220 HydrophobicContact CZ-CG 3.47Å; F216-M220 VanDerWaalsContact CZ-CG 3.47Å; F216-M220 HydrophobicContact CZ-SD 4.25Å; F216-M220 WeakPolarHBondContact O-CB 3.46Å; F216-M220 PolarHBondContact O-N 3.03Å; F216-M234 HydrophobicContact CZ-CB 3.98Å; F216-D235 WeakPolarHBondContact CE1-OD1 3.41Å; F216-L238 HydrophobicContact CD1-CD2 4.41Å
217N66.5Low64.6Low93 Ų9384.4 Ų84.450%0.49745%0.451SS..Hα-helixtrans-64.4-23.5176.3-76.2-56.6000113.1S213 F214S213-N217 PolarHBondContact O-N 2.94Å; S213-N217 PolarHBondContact O-ND2 3.35Å; F214-N217 PolarHBondContact O-N 3.26Å
218A68.4Low62.9Low75 Ų7582.7 Ų82.762%0.6245%0.454SS*.Hα-helixtrans-78.2-33.1175.200000112.8F214 S215 F216F214-A218 PolarHBondContact O-N 3.36Å; S215-A218 PolarHBondContact O-N 3.06Å; F216-A218 PolarHBondContact O-N 3.09Å
219V64.5Low61.2Low115 Ų11592.5 Ų92.570%0.69748%0.484SS*.Hα-helixtrans-89.4-29.9-177.4177.10000112.1S215 F216S215-V219 WeakPolarHBondContact O-CG2 3.4Å; S215-V219 PolarHBondContact O-N 3.26Å; F216-V219 PolarHBondContact O-N 3.41Å
220M61.8Low59.9Low32 Ų32100.3 Ų100.316%0.15851%0.512CS..SBendtrans-88.3145.9-179.3-71.6-69177.700112.3F216 K222F216-M220 HydrophobicContact CD1-CG 4.21Å; F216-M220 HydrophobicContact CD2-CE 4.32Å; F216-M220 HydrophobicContact CD2-CG 3.97Å; F216-M220 HydrophobicContact CE1-CB 4.43Å; F216-M220 HydrophobicContact CE1-CG 3.8Å; F216-M220 HydrophobicContact CE2-CE 3.39Å; F216-M220 HydrophobicContact CE2-CG 3.55Å; F216-M220 HydrophobicContact CE2-SD 4.27Å; F216-M220 HydrophobicContact CG-CG 4.31Å; F216-M220 HydrophobicContact CZ-CE 3.78Å; F216-M220 HydrophobicContact CZ-CG 3.47Å; F216-M220 VanDerWaalsContact CZ-CG 3.47Å; F216-M220 HydrophobicContact CZ-SD 4.25Å; F216-M220 WeakPolarHBondContact O-CB 3.46Å; F216-M220 PolarHBondContact O-N 3.03Å; M220-K222 PolarHBondContact O-N 2.94Å
221P57.4Low58.5Low20 Ų2097.3 Ų97.313%0.1351%0.505CS..  trans-57.9134.6171.128.4-37.7000110.2E11 S12 V223E11-P221 HydrophobicContact CB-CB 4.1Å; E11-P221 HydrophobicContact CB-CG 3.82Å; E11-P221 WeakPolarHBondContact O-CB 3.25Å; S12-P221 VanDerWaalsContact CA-CB 3.46Å; P221-V223 HydrophobicContact CG-CG2 4.43Å; P221-V223 WeakPolarHBondContact O-CG2 3.03Å; P221-V223 PolarHBondContact O-N 3.39Å
222K53.2Low57.3Low200 Ų20090.7 Ų90.787%0.8748%0.478SS*.  trans-72.275.8178.1-64.8178.4-176.3173.20110.2M220M220-K222 PolarHBondContact O-N 2.94Å
223V52.1Low56.7Low49 Ų4991.6 Ų91.630%0.29748%0.484SS..  trans-89.5124171.6-97.80000109.7M14 P221 Y225M14-V223 HydrophobicContact CE-CG1 4.4Å; P221-V223 HydrophobicContact CG-CG2 4.43Å; P221-V223 WeakPolarHBondContact O-CG2 3.03Å; P221-V223 PolarHBondContact O-N 3.39Å; V223-Y225 VanDerWaalsContact C-N 3.26Å; V223-Y225 HydrophobicContact CB-CD1 3.86Å; V223-Y225 HydrophobicContact CB-CE1 3.54Å; V223-Y225 HydrophobicContact CG1-CD1 4.05Å; V223-Y225 HydrophobicContact CG1-CE1 3.44Å; V223-Y225 VanDerWaalsContact CG1-CE1 3.44Å; V223-Y225 HydrophobicContact CG2-CE1 4.25Å; V223-Y225 PolarHBondContact O-N 3.33Å
224S49.9Very low56.3Low131 Ų13191 Ų9192%0.91648%0.477SS*.  trans-79.32.7-174.449.90000114.7
225Y44.2Very low56.1Low140 Ų14087 Ų8755%0.54946%0.462SS..SBendtrans-94.2127176.262.1-89.5000110.4V223 K227V223-Y225 VanDerWaalsContact C-N 3.26Å; V223-Y225 HydrophobicContact CB-CD1 3.86Å; V223-Y225 HydrophobicContact CB-CE1 3.54Å; V223-Y225 HydrophobicContact CG1-CD1 4.05Å; V223-Y225 HydrophobicContact CG1-CE1 3.44Å; V223-Y225 VanDerWaalsContact CG1-CE1 3.44Å; V223-Y225 HydrophobicContact CG2-CE1 4.25Å; V223-Y225 PolarHBondContact O-N 3.33Å; Y225-K227 HydrophobicContact CD2-CB 4.37Å; Y225-K227 HydrophobicContact CD2-CG 4.32Å; Y225-K227 HydrophobicContact CE2-CB 4.3Å; Y225-K227 HydrophobicContact CE2-CG 3.76Å; Y225-K227 PolarHBondContact O-N 3.4Å
226I40.3Very low56.2Low163 Ų16389.8 Ų89.884%0.83647%0.472SS*.  trans-55.5109.6166.1-61.4167.9000106.2A228I226-A228 HydrophobicContact CG2-CB 3.83Å; I226-A228 PolarHBondContact O-N 3.46Å
227K50Low56.8Low48 Ų4889 Ų8921%0.20947%0.469CS..  trans-73.814.8-164.8-153.1179.9-169.2165.80111.9Y225 R229 G231 G232 D235Y225-K227 HydrophobicContact CD2-CB 4.37Å; Y225-K227 HydrophobicContact CD2-CG 4.32Å; Y225-K227 HydrophobicContact CE2-CB 4.3Å; Y225-K227 HydrophobicContact CE2-CG 3.76Å; Y225-K227 PolarHBondContact O-N 3.4Å; K227-R229 VanDerWaalsContact C-N 3.34Å; K227-R229 PolarHBondContact O-N 2.86Å; K227-R229 VanDerWaalsContact O-N 3.08Å; K227-G231 VanDerWaalsContact CD-O 3.25Å; K227-G231 WeakPolarHBondContact CD-O 3.18Å; K227-G231 WeakPolarHBondContact CE-O 3.21Å; K227-G231 VanDerWaalsContact CG-C 3.43Å; K227-G231 PolarHBondContact O-N 3.04Å; K227-G232 VanDerWaalsContact C-CA 3.47Å; K227-G232 WeakPolarHBondContact O-CA 3.23Å; K227-G232 PolarHBondContact O-N 3.01Å; K227-D235 WeakPolarHBondContact CB-OD2 3.39Å
228A43.2Very low57.2Low83 Ų8385.9 Ų85.969%0.68645%0.452SS*.THydrogen-bonded Turntrans-62-22-162.700000116.9I226I226-A228 HydrophobicContact CG2-CB 3.83Å; I226-A228 PolarHBondContact O-N 3.46Å
229R43.4Very low57.8Low241 Ų24183.8 Ų83.891%0.90944%0.437SS*.THydrogen-bonded Turntrans-97.9-17.9-170.8-159.9168.6-177.6159.50.5115.9K227K227-R229 VanDerWaalsContact C-N 3.34Å; K227-R229 PolarHBondContact O-N 2.86Å; K227-R229 VanDerWaalsContact O-N 3.08Å
230R46.4Very low58.7Low181 Ų18178.9 Ų78.968%0.68341%0.409SS*.THydrogen-bonded Turntrans-154.4-3.8-176.2-138.5170.5179.881.40.9116.9S360R230-S360 PolarHBondContact NE-OG 3.02Å; R230-S360 VanDerWaalsContact NH2-CB 3.3Å; R230-S360 PolarHBondContact NH2-OG 3.27Å
231G46.8Very low59.7Low35 Ų3577.7 Ų77.736%0.36140%0.404SS..THydrogen-bonded Turntrans-160.94.5-178.600000116.5K227 V233K227-G231 VanDerWaalsContact CD-O 3.25Å; K227-G231 WeakPolarHBondContact CD-O 3.18Å; K227-G231 WeakPolarHBondContact CE-O 3.21Å; K227-G231 VanDerWaalsContact CG-C 3.43Å; K227-G231 PolarHBondContact O-N 3.04Å; G231-V233 PolarHBondContact O-N 2.94Å
232G54.7Low60.9Low5 Ų582 Ų825%0.05242%0.421CS..  trans-96.326.7-175.200000113.2K227 M234 D235 L236K227-G232 VanDerWaalsContact C-CA 3.47Å; K227-G232 WeakPolarHBondContact O-CA 3.23Å; K227-G232 PolarHBondContact O-N 3.01Å; G232-M234 PolarHBondContact O-N 3.27Å; G232-D235 PolarHBondContact O-N 3.18Å; G232-L236 WeakPolarHBondContact O-CB 3.05Å; G232-L236 PolarHBondContact O-N 2.84Å
233V62.4Low62.5Low41 Ų4177.3 Ų77.325%0.24840%0.404CS..Hα-helixtrans-62.1-41.8179.4-167.10000107.5G231 D235 L236 Y237 Y349 F353G231-V233 PolarHBondContact O-N 2.94Å; V233-D235 PolarHBondContact O-N 2.94Å; V233-L236 PolarHBondContact O-N 3.41Å; V233-Y237 PolarHBondContact O-N 3.19Å; V233-Y349 HydrophobicContact CB-CE2 4.42Å; V233-Y349 HydrophobicContact CG1-CD2 4.31Å; V233-Y349 HydrophobicContact CG1-CE1 4.26Å; V233-Y349 HydrophobicContact CG1-CE2 3.38Å; V233-Y349 WeakPolarHBondContact CG1-OH 3.4Å; V233-Y349 VanDerWaalsContact O-CE2 3.24Å; V233-Y349 WeakPolarHBondContact O-CE2 3.44Å; V233-Y349 PolarHBondContact O-OH 2.97Å; V233-F353 HydrophobicContact CB-CD2 4.49Å; V233-F353 HydrophobicContact CG1-CD2 3.9Å
234M64.4Low64.1Low34 Ų3476.6 Ų76.617%0.16740%0.397CS..Hα-helixtrans-59.4-48174.9-57.4-54.9-171.600113.4L176 F177 F216 G232 L236 Y237 L238L176-M234 HydrophobicContact CD2-CB 4.42Å; L176-M234 HydrophobicContact CD2-SD 4.19Å; F177-M234 HydrophobicContact CE2-CE 3.94Å; F177-M234 HydrophobicContact CE2-SD 3.47Å; F177-M234 WeakPolarHBondContact CE2-SD 3.45Å; F177-M234 HydrophobicContact CZ-CE 4.28Å; F177-M234 HydrophobicContact CZ-SD 3.45Å; F177-M234 WeakPolarHBondContact CZ-SD 3.39Å; F216-M234 HydrophobicContact CZ-CB 3.98Å; G232-M234 PolarHBondContact O-N 3.27Å; M234-L236 VanDerWaalsContact C-N 3.31Å; M234-L236 PolarHBondContact O-N 3.4Å; M234-Y237 PolarHBondContact O-N 2.87Å; M234-L238 PolarHBondContact O-N 3Å
235D68.6Low65.6Low67 Ų6770.4 Ų70.436%0.35835%0.354SS..Hα-helixtrans-65.9-36.3-179.7-55.5-35.3000111.3F216 K227 G232 V233 G239F216-D235 WeakPolarHBondContact CE1-OD1 3.41Å; K227-D235 WeakPolarHBondContact CB-OD2 3.39Å; G232-D235 PolarHBondContact O-N 3.18Å; V233-D235 PolarHBondContact O-N 2.94Å; D235-G239 PolarHBondContact O-N 3.44Å
236L75Confident67.4Low111 Ų11169.4 Ų69.458%0.58135%0.352SS*.Hα-helixtrans-65.2-41.4175.5-178.765.1000111.6G232 V233 M234 A240G232-L236 WeakPolarHBondContact O-CB 3.05Å; G232-L236 PolarHBondContact O-N 2.84Å; V233-L236 PolarHBondContact O-N 3.41Å; M234-L236 VanDerWaalsContact C-N 3.31Å; M234-L236 PolarHBondContact O-N 3.4Å; L236-A240 VanDerWaalsContact O-CB 3.31Å; L236-A240 WeakPolarHBondContact O-CB 3.09Å; L236-A240 PolarHBondContact O-N 2.78Å
237Y78.9Confident69.6Low6 Ų665.4 Ų65.42%0.02433%0.333CS..Hα-helixtrans-63.9-50.6176.3-169-98.7000111.6F177 A180 T181 V233 M234 G239 A240 C241 F345 Y349 F350F177-Y237 AromaticContact CD1-CD1 3.54Å; F177-Y237 HydrophobicContact CD1-CD1 3.54Å; F177-Y237 HydrophobicContact CD1-CD2 4.25Å; F177-Y237 AromaticContact CD1-CE1 3.35Å; F177-Y237 HydrophobicContact CD1-CE1 3.35Å; F177-Y237 HydrophobicContact CD1-CE2 4.09Å; F177-Y237 AromaticContact CD1-CG 4Å; F177-Y237 HydrophobicContact CD1-CG 4Å; F177-Y237 AromaticContact CD1-CZ 3.65Å; F177-Y237 AromaticContact CE1-CD1 3.51Å; F177-Y237 HydrophobicContact CE1-CD1 3.51Å; F177-Y237 AromaticContact CE1-CD2 3.83Å; F177-Y237 HydrophobicContact CE1-CD2 3.83Å; F177-Y237 AromaticContact CE1-CE1 3.81Å; F177-Y237 HydrophobicContact CE1-CE1 3.81Å; F177-Y237 HydrophobicContact CE1-CE2 4.1Å; F177-Y237 AromaticContact CE1-CG 3.53Å; F177-Y237 HydrophobicContact CE1-CG 3.53Å; F177-Y237 HydrophobicContact CG-CE1 4.3Å; F177-Y237 HydrophobicContact CZ-CG 4.5Å; A180-Y237 HydrophobicContact CB-CE1 4.25Å; T181-Y237 HydrophobicContact CG2-CE1 4.47Å; T181-Y237 WeakPolarHBondContact CG2-OH 3.45Å; V233-Y237 PolarHBondContact O-N 3.19Å; M234-Y237 PolarHBondContact O-N 2.87Å; Y237-G239 VanDerWaalsContact C-N 3.3Å; Y237-G239 PolarHBondContact O-N 3.27Å; Y237-A240 PolarHBondContact O-N 3.38Å; Y237-C241 WeakPolarHBondContact CE1-SG 3.47Å; Y237-C241 PolarHBondContact O-N 3.47Å; Y237-C241 PolarHBondContact O-SG 2.86Å; Y237-F345 AromaticContact CD2-CE1 3.8Å; Y237-F345 HydrophobicContact CD2-CE1 3.8Å; Y237-F345 HydrophobicContact CD2-CZ 4.4Å; Y237-F345 HydrophobicContact CE2-CE1 4.03Å; Y237-Y349 WeakPolarHBondContact CB-OH 3.37Å; Y237-Y349 AromaticContact CD2-CD1 3.61Å; Y237-Y349 HydrophobicContact CD2-CD1 3.61Å; Y237-Y349 AromaticContact CD2-CD2 3.99Å; Y237-Y349 HydrophobicContact CD2-CD2 3.99Å; Y237-Y349 AromaticContact CD2-CE1 3.63Å; Y237-Y349 HydrophobicContact CD2-CE1 3.63Å; Y237-Y349 AromaticContact CD2-CE2 3.99Å; Y237-Y349 HydrophobicContact CD2-CE2 3.99Å; Y237-Y349 AromaticContact CD2-CG 3.8Å; Y237-Y349 HydrophobicContact CD2-CG 3.8Å; Y237-Y349 AromaticContact CD2-CZ 3.81Å; Y237-Y349 HydrophobicContact CE2-CD1 4.09Å; Y237-Y349 HydrophobicContact CE2-CE1 4.36Å; Y237-Y349 HydrophobicContact CE2-CG 4.42Å; Y237-Y349 HydrophobicContact CG-CE1 4.13Å; Y237-Y349 HydrophobicContact CG-CE2 4.29Å; Y237-Y349 AromaticContact CG-CZ 3.98Å; Y237-F350 HydrophobicContact CE2-CZ 4.44Å
238L75.5Confident71.1Confident26 Ų2663.3 Ų63.314%0.13632%0.324CS..Hα-helixtrans-62.3-40.3179.3-172.664.2000111.3L212 F216 M234 C241 F242L212-L238 HydrophobicContact CD2-CD1 4.18Å; F216-L238 HydrophobicContact CD1-CD2 4.41Å; M234-L238 PolarHBondContact O-N 3Å; L238-C241 WeakPolarHBondContact O-CB 3.13Å; L238-C241 PolarHBondContact O-N 3.25Å; L238-F242 PolarHBondContact O-N 2.98Å
239G80.9Confident72.8Confident31 Ų3160 Ų6032%0.3229%0.294SS..Hα-helixtrans-62.9-42.4173.800000112.8D235 Y237 F242 I243D235-G239 PolarHBondContact O-N 3.44Å; Y237-G239 VanDerWaalsContact C-N 3.3Å; Y237-G239 PolarHBondContact O-N 3.27Å; G239-F242 WeakPolarHBondContact O-CB 3.01Å; G239-F242 PolarHBondContact O-N 3.43Å; G239-I243 WeakPolarHBondContact O-CG1 3.1Å; G239-I243 PolarHBondContact O-N 3.16Å
240A84.1Confident74.6Confident12 Ų1250.3 Ų50.310%0.09926%0.264CS..Hα-helixtrans-63.9-43.8174.100000111.6L236 Y237 F242 I243 F244 F345L236-A240 VanDerWaalsContact O-CB 3.31Å; L236-A240 WeakPolarHBondContact O-CB 3.09Å; L236-A240 PolarHBondContact O-N 2.78Å; Y237-A240 PolarHBondContact O-N 3.38Å; A240-F242 VanDerWaalsContact C-N 3.28Å; A240-F242 PolarHBondContact O-N 3.4Å; A240-I243 PolarHBondContact O-N 3.44Å; A240-I243 VanDerWaalsContact O-N 3.15Å; A240-F244 WeakPolarHBondContact O-CD2 3.4Å; A240-F244 PolarHBondContact O-N 2.96Å; A240-F345 HydrophobicContact CB-CD1 4.14Å; A240-F345 HydrophobicContact CB-CD2 4.46Å; A240-F345 HydrophobicContact CB-CE1 3.36Å; A240-F345 HydrophobicContact CB-CE2 3.75Å; A240-F345 HydrophobicContact CB-CZ 3.13Å
241C83.2Confident76.3Confident7 Ų742.2 Ų42.25%0.04723%0.233CC..Hα-helixtrans-56.6-42.5173.1-67.20000111.7V184 Y237 L238 F244 A245V184-C241 HydrophobicContact CG2-CB 3.65Å; Y237-C241 WeakPolarHBondContact CE1-SG 3.47Å; Y237-C241 PolarHBondContact O-N 3.47Å; Y237-C241 PolarHBondContact O-SG 2.86Å; L238-C241 WeakPolarHBondContact O-CB 3.13Å; L238-C241 PolarHBondContact O-N 3.25Å; C241-F244 PolarHBondContact O-N 3.4Å; C241-A245 WeakPolarHBondContact O-CB 3.18Å; C241-A245 PolarHBondContact O-N 3.39Å
242F81.9Confident77.7Confident111 Ų11141 Ų4149%0.48722%0.219SC..Hα-helixtrans-60.7-45.2175.2-174.2-88.3000112I209 L238 G239 A240 A245 F246I209-F242 HydrophobicContact CG2-CD2 3.5Å; I209-F242 VanDerWaalsContact CG2-CD2 3.5Å; I209-F242 HydrophobicContact CG2-CE2 4.06Å; L238-F242 PolarHBondContact O-N 2.98Å; G239-F242 WeakPolarHBondContact O-CB 3.01Å; G239-F242 PolarHBondContact O-N 3.43Å; A240-F242 VanDerWaalsContact C-N 3.28Å; A240-F242 PolarHBondContact O-N 3.4Å; F242-A245 PolarHBondContact O-N 3.43Å; F242-F246 WeakPolarHBondContact O-CB 3.18Å; F242-F246 PolarHBondContact O-N 3.04Å
243I85.9Confident78.9Confident102 Ų10244.7 Ų44.752%0.52324%0.236SC..Hα-helixtrans-62.8-47.8178-67.5165.8000110.8G239 A240 A245 F246 L247G239-I243 WeakPolarHBondContact O-CG1 3.1Å; G239-I243 PolarHBondContact O-N 3.16Å; A240-I243 PolarHBondContact O-N 3.44Å; A240-I243 VanDerWaalsContact O-N 3.15Å; I243-A245 VanDerWaalsContact C-N 3.35Å; I243-A245 PolarHBondContact O-N 3.31Å; I243-F246 PolarHBondContact O-N 3.43Å; I243-L247 HydrophobicContact CG2-CD1 4.04Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 2.92Å; I243-L247 PolarHBondContact O-N 2.99Å
244F86.6Confident79.9Confident33 Ų3345.8 Ų45.815%0.14524%0.243CC..Hα-helixtrans-62.3-41.8178.5-81.2-69.8000112.3V184 A240 C241 L247 S248 A341 F342 F345V184-F244 HydrophobicContact CG1-CB 4.23Å; A240-F244 WeakPolarHBondContact O-CD2 3.4Å; A240-F244 PolarHBondContact O-N 2.96Å; C241-F244 PolarHBondContact O-N 3.4Å; F244-L247 PolarHBondContact O-N 3.49Å; F244-S248 PolarHBondContact O-N 3.37Å; F244-A341 HydrophobicContact CE1-CB 3.81Å; F244-A341 HydrophobicContact CZ-CB 4.19Å; F244-F342 HydrophobicContact CB-CD2 4.43Å; F244-F342 HydrophobicContact CD1-CB 4.35Å; F244-F342 AromaticContact CD2-CD2 3.62Å; F244-F342 HydrophobicContact CD2-CD2 3.62Å; F244-F342 HydrophobicContact CD2-CE2 4.35Å; F244-F342 HydrophobicContact CE1-CB 4.33Å; F244-F342 AromaticContact CE2-CD2 3.98Å; F244-F342 HydrophobicContact CE2-CD2 3.98Å; F244-F342 HydrophobicContact CG-CB 4.49Å; F244-F342 HydrophobicContact CG-CD2 4Å; F244-F342 HydrophobicContact CZ-CB 4.45Å; F244-F345 HydrophobicContact CE2-CB 4.12Å; F244-F345 HydrophobicContact CE2-CD1 4.25Å; F244-F345 HydrophobicContact CE2-CG 4.12Å; F244-F345 HydrophobicContact CZ-CB 4.32Å
245A81.5Confident80.5Confident1 Ų146 Ų461%0.00825%0.246CC..Hα-helixtrans-62.1-47.1173.600000111.4I209 C241 F242 I243 L247 S248 L249I209-A245 HydrophobicContact CD1-CB 3.26Å; I209-A245 HydrophobicContact CG1-CB 4.5Å; C241-A245 WeakPolarHBondContact O-CB 3.18Å; C241-A245 PolarHBondContact O-N 3.39Å; F242-A245 PolarHBondContact O-N 3.43Å; I243-A245 VanDerWaalsContact C-N 3.35Å; I243-A245 PolarHBondContact O-N 3.31Å; A245-L247 VanDerWaalsContact C-N 3.32Å; A245-L247 PolarHBondContact O-N 2.61Å; A245-S248 PolarHBondContact O-N 2.81Å; A245-S248 VanDerWaalsContact O-N 3.12Å; A245-S248 PolarHBondContact O-OG 2.98Å; A245-L249 WeakPolarHBondContact O-CG 2.91Å; A245-L249 PolarHBondContact O-N 3.48Å
246F82.9Confident80.9Confident119 Ų11945 Ų4552%0.52224%0.239SC..Hα-helixtrans-59.8-39.5177.2-175.6-95.6000112.9F242 I243 L249 S250F242-F246 WeakPolarHBondContact O-CB 3.18Å; F242-F246 PolarHBondContact O-N 3.04Å; I243-F246 PolarHBondContact O-N 3.43Å; F246-L249 PolarHBondContact O-N 3.32Å; F246-S250 WeakPolarHBondContact CE1-OG 3.34Å; F246-S250 WeakPolarHBondContact O-CB 3.37Å; F246-S250 PolarHBondContact O-N 3.5Å; F246-S250 PolarHBondContact O-OG 3.29Å
247L85.4Confident81.2Confident80 Ų8044.2 Ų44.242%0.41924%0.235SC..Hα-helixtrans-63.8-41.6174.6-72173.3000111.8I243 F244 A245 L249 S250 K251 L338I243-L247 HydrophobicContact CG2-CD1 4.04Å; I243-L247 HydrophobicContact CG2-CG 4.38Å; I243-L247 VanDerWaalsContact O-CG 3.29Å; I243-L247 WeakPolarHBondContact O-CG 2.92Å; I243-L247 PolarHBondContact O-N 2.99Å; F244-L247 PolarHBondContact O-N 3.49Å; A245-L247 VanDerWaalsContact C-N 3.32Å; A245-L247 PolarHBondContact O-N 2.61Å; L247-L249 VanDerWaalsContact C-N 3.34Å; L247-L249 PolarHBondContact O-N 3.46Å; L247-S250 PolarHBondContact O-N 2.79Å; L247-K251 WeakPolarHBondContact O-CB 3.37Å; L247-K251 PolarHBondContact O-N 2.94Å; L247-L338 HydrophobicContact CB-CD2 4.16Å
248S80.8Confident81.3Confident3 Ų346.2 Ų46.22%0.02125%0.245CC..Hα-helixtrans-63.1-40.517671.50000112.1S187 F244 A245 K251 L252S187-S248 WeakPolarHBondContact CB-OG 3.2Å; S187-S248 PolarHBondContact OG-OG 3.29Å; F244-S248 PolarHBondContact O-N 3.37Å; A245-S248 PolarHBondContact O-N 2.81Å; A245-S248 VanDerWaalsContact O-N 3.12Å; A245-S248 PolarHBondContact O-OG 2.98Å; S248-K251 PolarHBondContact O-N 2.68Å; S248-L252 WeakPolarHBondContact O-CG 3.4Å; S248-L252 PolarHBondContact O-N 2.84Å; S248-L252 VanDerWaalsContact O-N 3.1Å
249L78.7Confident81.4Confident14 Ų1450 Ų507%0.07326%0.262CS..Hα-helixtrans-68.6-44.9176.8-66179.5000112.4M202 I206 A245 F246 L247 K251 L252 I253M202-L249 HydrophobicContact CB-CD2 4.03Å; M202-L249 HydrophobicContact CG-CD2 3.5Å; M202-L249 VanDerWaalsContact CG-CD2 3.5Å; M202-L249 HydrophobicContact CG-CG 4.5Å; M202-L249 HydrophobicContact SD-CD2 4.03Å; I206-L249 HydrophobicContact CD1-CD1 3.77Å; I206-L249 HydrophobicContact CG1-CD1 3.35Å; A245-L249 WeakPolarHBondContact O-CG 2.91Å; A245-L249 PolarHBondContact O-N 3.48Å; F246-L249 PolarHBondContact O-N 3.32Å; L247-L249 VanDerWaalsContact C-N 3.34Å; L247-L249 PolarHBondContact O-N 3.46Å; L249-K251 PolarHBondContact O-N 2.82Å; L249-L252 HydrophobicContact CD2-CD1 4.19Å; L249-L252 WeakPolarHBondContact O-CB 3.41Å; L249-L252 PolarHBondContact O-N 3.42Å; L249-L252 VanDerWaalsContact O-N 3.13Å; L249-I253 WeakPolarHBondContact O-CG1 3.39Å; L249-I253 PolarHBondContact O-N 3.3Å
250S82.7Confident81.3Confident38 Ų3856.1 Ų56.127%0.26628%0.276SS..Hα-helixtrans-57.4-42.2176.1-62.80000110.9F246 L247 I253 V254F246-S250 WeakPolarHBondContact CE1-OG 3.34Å; F246-S250 WeakPolarHBondContact O-CB 3.37Å; F246-S250 PolarHBondContact O-N 3.5Å; F246-S250 PolarHBondContact O-OG 3.29Å; L247-S250 PolarHBondContact O-N 2.79Å; S250-I253 PolarHBondContact O-N 2.96Å; S250-V254 WeakPolarHBondContact O-CG2 3.36Å; S250-V254 PolarHBondContact O-N 2.9Å
251K81.4Confident81.2Confident10 Ų1060.4 Ų60.44%0.04329%0.294CS..Hα-helixtrans-61.9-45.9175.2-175.3-124.6179.1154.10111.9L191 L247 S248 L249 I253 V254 V255 F330 H331 S334L191-K251 HydrophobicContact CD1-CD 4.18Å; L191-K251 HydrophobicContact CD2-CD 3.4Å; L191-K251 VanDerWaalsContact CD2-CD 3.4Å; L191-K251 HydrophobicContact CG-CD 4.36Å; L247-K251 WeakPolarHBondContact O-CB 3.37Å; L247-K251 PolarHBondContact O-N 2.94Å; S248-K251 PolarHBondContact O-N 2.68Å; L249-K251 PolarHBondContact O-N 2.82Å; K251-I253 VanDerWaalsContact C-N 3.31Å; K251-I253 PolarHBondContact O-N 2.98Å; K251-V254 PolarHBondContact O-N 3.33Å; K251-V255 HydrophobicContact CG-CG2 4.38Å; K251-V255 VanDerWaalsContact O-CG2 3.3Å; K251-V255 WeakPolarHBondContact O-CG2 3.42Å; K251-V255 PolarHBondContact O-N 2.67Å; K251-F330 HydrophobicContact CG-CE1 4.01Å; K251-F330 HydrophobicContact CG-CZ 4.35Å; K251-H331 PolarHBondContact NZ-O 3.3Å; K251-S334 WeakPolarHBondContact CD-OG 3.37Å; K251-S334 VanDerWaalsContact CE-CB 3.44Å; K251-S334 WeakPolarHBondContact CE-OG 3.49Å; K251-S334 WeakPolarHBondContact CG-OG 3.41Å; K251-S334 PolarHBondContact NZ-OG 2.87Å; K251-S334 VanDerWaalsContact NZ-OG 3.16Å
252L75.9Confident80.7Confident11 Ų1160.8 Ų60.86%0.05830%0.295CS..Hα-helixtrans-58-43.4176.1-73169000112.1S190 L191 S248 L249 V255 K256S190-L252 WeakPolarHBondContact OG-CD1 3.36Å; L191-L252 HydrophobicContact CD2-CD1 4.49Å; L191-L252 HydrophobicContact CD2-CD2 3.69Å; L191-L252 HydrophobicContact CD2-CG 3.76Å; S248-L252 WeakPolarHBondContact O-CG 3.4Å; S248-L252 PolarHBondContact O-N 2.84Å; S248-L252 VanDerWaalsContact O-N 3.1Å; L249-L252 HydrophobicContact CD2-CD1 4.19Å; L249-L252 WeakPolarHBondContact O-CB 3.41Å; L249-L252 PolarHBondContact O-N 3.42Å; L249-L252 VanDerWaalsContact O-N 3.13Å; L252-V255 PolarHBondContact O-N 3.32Å; L252-K256 WeakPolarHBondContact O-CB 3.46Å; L252-K256 WeakPolarHBondContact O-CG 3.49Å; L252-K256 PolarHBondContact O-N 3.38Å
253I80.9Confident80.5Confident81 Ų8160.1 Ų60.142%0.41529%0.292SS..Hα-helixtrans-60.5-48.1176.8-65.8167.6000110.1M202 L249 S250 K251 V255 K256 L257M202-I253 HydrophobicContact SD-CG1 4.43Å; L249-I253 WeakPolarHBondContact O-CG1 3.39Å; L249-I253 PolarHBondContact O-N 3.3Å; S250-I253 PolarHBondContact O-N 2.96Å; K251-I253 VanDerWaalsContact C-N 3.31Å; K251-I253 PolarHBondContact O-N 2.98Å; I253-V255 PolarHBondContact O-N 3.43Å; I253-K256 PolarHBondContact O-N 3.47Å; I253-L257 HydrophobicContact CG2-CD1 3.92Å; I253-L257 HydrophobicContact CG2-CG 4.31Å; I253-L257 WeakPolarHBondContact O-CB 3.5Å; I253-L257 VanDerWaalsContact O-CG 3.25Å; I253-L257 WeakPolarHBondContact O-CG 3.29Å; I253-L257 PolarHBondContact O-N 3.25Å
254V82.3Confident80.2Confident65 Ų6560.6 Ų60.639%0.39429%0.29SS..Hα-helixtrans-59.9-48.2178.3171.60000111.2S250 K251 K256 L257 L258 F330S250-V254 WeakPolarHBondContact O-CG2 3.36Å; S250-V254 PolarHBondContact O-N 2.9Å; K251-V254 PolarHBondContact O-N 3.33Å; V254-K256 PolarHBondContact O-N 2.74Å; V254-L257 PolarHBondContact O-N 2.87Å; V254-L258 HydrophobicContact CG1-CD1 3.87Å; V254-L258 HydrophobicContact CG1-CG 4.37Å; V254-L258 WeakPolarHBondContact O-CB 3.42Å; V254-L258 VanDerWaalsContact O-CG 3.23Å; V254-L258 WeakPolarHBondContact O-CG 3.02Å; V254-L258 PolarHBondContact O-N 3.41Å; V254-F330 HydrophobicContact CG1-CE1 4.27Å
255V78.1Confident79.7Confident39 Ų3966 Ų6624%0.23631%0.309CS..Hα-helixtrans-60.9-43.8179.2172.60000111.1K251 L252 I253 L258 H259 F330K251-V255 HydrophobicContact CG-CG2 4.38Å; K251-V255 VanDerWaalsContact O-CG2 3.3Å; K251-V255 WeakPolarHBondContact O-CG2 3.42Å; K251-V255 PolarHBondContact O-N 2.67Å; L252-V255 PolarHBondContact O-N 3.32Å; I253-V255 PolarHBondContact O-N 3.43Å; V255-L258 PolarHBondContact O-N 3.48Å; V255-H259 WeakPolarHBondContact O-CB 3.46Å; V255-H259 PolarHBondContact O-N 2.83Å; V255-F330 HydrophobicContact CG2-CE1 4.44Å
256K77.1Confident79.4Confident44 Ų4471.4 Ų71.419%0.19133%0.333CS..Hα-helixtrans-65-41.3176.5-77.3-176.4171.8-1790112.8Q198 F199 L252 I253 V254 L258 H259 R260Q198-K256 PolarHBondContact O-NZ 2.83Å; Q198-K256 VanDerWaalsContact O-NZ 3.16Å; F199-K256 HydrophobicContact CE1-CD 3.96Å; F199-K256 HydrophobicContact CE2-CD 4.05Å; F199-K256 HydrophobicContact CZ-CD 3.59Å; L252-K256 WeakPolarHBondContact O-CB 3.46Å; L252-K256 WeakPolarHBondContact O-CG 3.49Å; L252-K256 PolarHBondContact O-N 3.38Å; I253-K256 PolarHBondContact O-N 3.47Å; V254-K256 PolarHBondContact O-N 2.74Å; K256-L258 VanDerWaalsContact C-N 3.34Å; K256-H259 PolarHBondContact O-N 3.31Å; K256-R260 WeakPolarHBondContact O-CB 2.76Å; K256-R260 PolarHBondContact O-N 2.61Å
257L81.8Confident79.1Confident96 Ų9671.9 Ų71.950%0.50334%0.337SS..Hα-helixtrans-62.1-43.9175-71.8175.7000110.7I253 V254 R260 Q261I253-L257 HydrophobicContact CG2-CD1 3.92Å; I253-L257 HydrophobicContact CG2-CG 4.31Å; I253-L257 WeakPolarHBondContact O-CB 3.5Å; I253-L257 VanDerWaalsContact O-CG 3.25Å; I253-L257 WeakPolarHBondContact O-CG 3.29Å; I253-L257 PolarHBondContact O-N 3.25Å; V254-L257 PolarHBondContact O-N 2.87Å; L257-R260 PolarHBondContact O-N 3.02Å; L257-Q261 WeakPolarHBondContact O-CG 3.36Å; L257-Q261 PolarHBondContact O-N 2.75Å
258L80.2Confident78.5Confident47 Ų4771.3 Ų71.325%0.24634%0.339CS..Hα-helixtrans-61.3-46.6174.9-67.9169.6000111.4V254 V255 K256 R260 Q261 I262 F323V254-L258 HydrophobicContact CG1-CD1 3.87Å; V254-L258 HydrophobicContact CG1-CG 4.37Å; V254-L258 WeakPolarHBondContact O-CB 3.42Å; V254-L258 VanDerWaalsContact O-CG 3.23Å; V254-L258 WeakPolarHBondContact O-CG 3.02Å; V254-L258 PolarHBondContact O-N 3.41Å; V255-L258 PolarHBondContact O-N 3.48Å; K256-L258 VanDerWaalsContact C-N 3.34Å; L258-R260 PolarHBondContact O-N 2.65Å; L258-Q261 PolarHBondContact O-N 2.74Å; L258-I262 VanDerWaalsContact O-CG1 3.25Å; L258-I262 WeakPolarHBondContact O-CG1 3.41Å; L258-I262 PolarHBondContact O-N 2.88Å; L258-F323 HydrophobicContact CD2-CE1 4.49Å; L258-F323 HydrophobicContact CD2-CE2 4.26Å; L258-F323 HydrophobicContact CD2-CZ 3.61Å
259H76.7Confident78.1Confident106 Ų10674.8 Ų74.849%0.49136%0.36SS..Hα-helixtrans-63.3-40178.3-161.2-100.9000112.2V255 K256 I262 K263V255-H259 WeakPolarHBondContact O-CB 3.46Å; V255-H259 PolarHBondContact O-N 2.83Å; K256-H259 PolarHBondContact O-N 3.31Å; H259-I262 WeakPolarHBondContact O-CB 3.29Å; H259-I262 PolarHBondContact O-N 2.84Å; H259-K263 WeakPolarHBondContact O-CB 3.37Å; H259-K263 PolarHBondContact O-N 3.05Å
260R79.9Confident77.9Confident160 Ų16078.5 Ų78.560%0.60438%0.384SS*.Hα-helixtrans-64.6-41175.2-170.7177.7-176.5-168.31.7112K256 L257 L258 I262 K263 K264K256-R260 WeakPolarHBondContact O-CB 2.76Å; K256-R260 PolarHBondContact O-N 2.61Å; L257-R260 PolarHBondContact O-N 3.02Å; L258-R260 PolarHBondContact O-N 2.65Å; R260-I262 VanDerWaalsContact C-N 3.3Å; R260-I262 PolarHBondContact O-N 3.37Å; R260-K263 PolarHBondContact O-N 3.08Å; R260-K264 WeakPolarHBondContact O-CB 2.9Å; R260-K264 WeakPolarHBondContact O-CG 3.49Å; R260-K264 PolarHBondContact O-N 3.27Å
261Q80.4Confident77.4Confident102 Ų10278.1 Ų78.148%0.47739%0.386SS..Hα-helixtrans-62.5-39.8174.5-69.5-72.7-9.900111L257 L258 R265L257-Q261 WeakPolarHBondContact O-CG 3.36Å; L257-Q261 PolarHBondContact O-N 2.75Å; L258-Q261 PolarHBondContact O-N 2.74Å; Q261-R265 WeakPolarHBondContact O-CB 3.44Å; Q261-R265 VanDerWaalsContact O-CG 3.32Å; Q261-R265 WeakPolarHBondContact O-CG 3.38Å; Q261-R265 PolarHBondContact O-N 3.07Å
262I74.4Confident77.1Confident14 Ų1482.4 Ų82.47%0.07241%0.409CS..Hα-helixtrans-65.8-46.6175.6-67.7164.4000111.1L258 H259 R260 K264 R265 K266 F323 W324L258-I262 VanDerWaalsContact O-CG1 3.25Å; L258-I262 WeakPolarHBondContact O-CG1 3.41Å; L258-I262 PolarHBondContact O-N 2.88Å; H259-I262 WeakPolarHBondContact O-CB 3.29Å; H259-I262 PolarHBondContact O-N 2.84Å; R260-I262 VanDerWaalsContact C-N 3.3Å; R260-I262 PolarHBondContact O-N 3.37Å; I262-K264 VanDerWaalsContact C-N 3.33Å; I262-K264 PolarHBondContact O-N 3.37Å; I262-R265 PolarHBondContact O-N 3.27Å; I262-K266 HydrophobicContact CG2-CD 4.34Å; I262-K266 HydrophobicContact CG2-CG 4.47Å; I262-K266 PolarHBondContact O-N 2.97Å; I262-F323 HydrophobicContact CD1-CE1 4.32Å; I262-F323 HydrophobicContact CG1-CE1 4.27Å; I262-W324 HydrophobicContact CD1-CH2 4.47Å; I262-W324 HydrophobicContact CD1-CZ2 4.16Å; I262-W324 HydrophobicContact CG2-CH2 4.26Å; I262-W324 HydrophobicContact CG2-CZ2 3.53Å
263K77.7Confident76.9Confident98 Ų9887.6 Ų87.643%0.42644%0.435SS..Hα-helixtrans-59.1-43.9178-166171-174.41710111E196 H259 R260 K266 Q267E196-K263 IonicContact OE1-NZ 3.09Å; E196-K263 PolarHBondContact OE1-NZ 3.35Å; E196-K263 VanDerWaalsContact OE1-NZ 3.09Å; H259-K263 WeakPolarHBondContact O-CB 3.37Å; H259-K263 PolarHBondContact O-N 3.05Å; R260-K263 PolarHBondContact O-N 3.08Å; K263-K266 PolarHBondContact O-N 2.83Å; K263-Q267 WeakPolarHBondContact O-CG 3.44Å; K263-Q267 PolarHBondContact O-N 2.96Å
264K79.8Confident76.5Confident111 Ų11187.3 Ų87.348%0.48344%0.437SS..Hα-helixtrans-62.1-43.5173.9-74.6-176.4175.8-170.10112.8R260 I262 Q267 S268R260-K264 WeakPolarHBondContact O-CB 2.9Å; R260-K264 WeakPolarHBondContact O-CG 3.49Å; R260-K264 PolarHBondContact O-N 3.27Å; I262-K264 VanDerWaalsContact C-N 3.33Å; I262-K264 PolarHBondContact O-N 3.37Å; K264-Q267 PolarHBondContact O-N 3.19Å; K264-S268 PolarHBondContact O-N 3.05Å
265R76Confident76.1Confident146 Ų14688.6 Ų88.655%0.55144%0.441SS*.Hα-helixtrans-66.1-41.4177.6-75.4179.2-179.2-170.91112.1Q261 I262 S268 T269Q261-R265 WeakPolarHBondContact O-CB 3.44Å; Q261-R265 VanDerWaalsContact O-CG 3.32Å; Q261-R265 WeakPolarHBondContact O-CG 3.38Å; Q261-R265 PolarHBondContact O-N 3.07Å; I262-R265 PolarHBondContact O-N 3.27Å; R265-S268 PolarHBondContact O-N 3.03Å; R265-T269 PolarHBondContact O-N 3.18Å; R265-T269 PolarHBondContact O-OG1 2.72Å
266K74.8Confident76Confident116 Ų11689.9 Ų89.950%0.50445%0.452SS..Hα-helixtrans-62-44.9174.7-73.5-174.6179.7-177.80111.4I262 K263 S268 T269 V270I262-K266 HydrophobicContact CG2-CD 4.34Å; I262-K266 HydrophobicContact CG2-CG 4.47Å; I262-K266 PolarHBondContact O-N 2.97Å; K263-K266 PolarHBondContact O-N 2.83Å; K266-S268 PolarHBondContact O-N 3.27Å; K266-T269 PolarHBondContact O-N 3.35Å; K266-V270 VanDerWaalsContact O-CG2 3.31Å; K266-V270 WeakPolarHBondContact O-CG2 3.15Å; K266-V270 PolarHBondContact O-N 3.43Å
267Q75.3Confident75.7Confident129 Ų12991.3 Ų91.360%0.60346%0.464SS*.Hα-helixtrans-62.2-41.3176-76.2177.6-1700112.6K263 K264 G271K263-Q267 WeakPolarHBondContact O-CG 3.44Å; K263-Q267 PolarHBondContact O-N 2.96Å; K264-Q267 PolarHBondContact O-N 3.19Å; Q267-G271 PolarHBondContact O-N 2.86Å
268S74.2Confident75.3Confident67 Ų6790.8 Ų90.847%0.46946%0.461SS..Hα-helixtrans-66-40.9175.9179.50000112.7K264 R265 K266 G271 N272K264-S268 PolarHBondContact O-N 3.05Å; R265-S268 PolarHBondContact O-N 3.03Å; K266-S268 PolarHBondContact O-N 3.27Å; S268-G271 PolarHBondContact O-N 2.98Å; S268-N272 WeakPolarHBondContact O-CB 3.37Å; S268-N272 PolarHBondContact O-N 3.37Å; S268-N272 PolarHBondContact O-ND2 2.79Å
269T72.7Confident74.9Confident76 Ų7698 Ų9847%0.46649%0.485SS..Hα-helixtrans-66.2-42176.8-56.70000111.9R265 K266 N272 M273R265-T269 PolarHBondContact O-N 3.18Å; R265-T269 PolarHBondContact O-OG1 2.72Å; K266-T269 PolarHBondContact O-N 3.35Å; T269-N272 PolarHBondContact O-N 3.12Å; T269-M273 WeakPolarHBondContact O-CB 3.24Å; T269-M273 PolarHBondContact O-N 3.29Å
270V73.9Confident74.7Confident92 Ų9295.6 Ų95.656%0.55848%0.484SS*.Hα-helixtrans-66.1-44.2176.2173.90000110.8K266 N272 M273 V274K266-V270 VanDerWaalsContact O-CG2 3.31Å; K266-V270 WeakPolarHBondContact O-CG2 3.15Å; K266-V270 PolarHBondContact O-N 3.43Å; V270-N272 VanDerWaalsContact C-N 3.33Å; V270-N272 PolarHBondContact O-N 3.35Å; V270-M273 PolarHBondContact O-N 2.71Å; V270-V274 HydrophobicContact CG1-CG2 4.39Å; V270-V274 WeakPolarHBondContact O-CG2 3.23Å; V270-V274 PolarHBondContact O-N 2.82Å
271G72.4Confident74.1Confident31 Ų3193.2 Ų93.232%0.3248%0.483SS..Hα-helixtrans-60-40.5175.400000112.9Q267 S268 N275Q267-G271 PolarHBondContact O-N 2.86Å; S268-G271 PolarHBondContact O-N 2.98Å; G271-N275 WeakPolarHBondContact O-CB 3.45Å; G271-N275 PolarHBondContact O-N 3.04Å; G271-N275 PolarHBondContact O-ND2 3.48Å
272N75.4Confident73.5Confident99 Ų9993.3 Ų93.353%0.52949%0.487SS..Hα-helixtrans-67.8-37.5175.7-71.1-13.8000112.5S268 T269 V270 S276S268-N272 WeakPolarHBondContact O-CB 3.37Å; S268-N272 PolarHBondContact O-N 3.37Å; S268-N272 PolarHBondContact O-ND2 2.79Å; T269-N272 PolarHBondContact O-N 3.12Å; V270-N272 VanDerWaalsContact C-N 3.33Å; V270-N272 PolarHBondContact O-N 3.35Å; N272-S276 WeakPolarHBondContact O-CB 3.16Å; N272-S276 PolarHBondContact O-N 2.75Å; N272-S276 PolarHBondContact O-OG 2.91Å
273M70.9Confident73Confident121 Ų12195.6 Ų95.660%0.59651%0.508SS*.Hα-helixtrans-65.9-47.5176.6-168.7175-74.200110.8T269 V270 N275 S276 T277T269-M273 WeakPolarHBondContact O-CB 3.24Å; T269-M273 PolarHBondContact O-N 3.29Å; V270-M273 PolarHBondContact O-N 2.71Å; M273-N275 PolarHBondContact O-N 2.8Å; M273-S276 PolarHBondContact O-N 2.86Å; M273-S276 VanDerWaalsContact O-N 3.13Å; M273-S276 PolarHBondContact O-OG 3.35Å; M273-T277 PolarHBondContact O-N 3.06Å; M273-T277 PolarHBondContact O-OG1 3.13Å
274V73.5Confident72.2Confident75 Ų7594.4 Ų94.446%0.45552%0.516SS..Hα-helixtrans-59.4-45175.6173.90000111.2V270 S276 T277 I278V270-V274 HydrophobicContact CG1-CG2 4.39Å; V270-V274 WeakPolarHBondContact O-CG2 3.23Å; V270-V274 PolarHBondContact O-N 2.82Å; V274-S276 VanDerWaalsContact C-N 3.3Å; V274-S276 PolarHBondContact O-N 2.87Å; V274-T277 PolarHBondContact O-N 3.23Å; V274-I278 HydrophobicContact CG1-CD1 3.85Å; V274-I278 HydrophobicContact CG1-CG1 4.47Å; V274-I278 WeakPolarHBondContact O-CG1 3.45Å; V274-I278 PolarHBondContact O-N 3.4Å
275N73.4Confident71.1Confident92 Ų9291.7 Ų91.749%0.49252%0.52SS..Hα-helixtrans-62.6-35.5176.6-74.6-10.9000112.8G271 M273 R279G271-N275 WeakPolarHBondContact O-CB 3.45Å; G271-N275 PolarHBondContact O-N 3.04Å; G271-N275 PolarHBondContact O-ND2 3.48Å; M273-N275 PolarHBondContact O-N 2.8Å; N275-R279 WeakPolarHBondContact O-CG 3.38Å; N275-R279 PolarHBondContact O-N 2.97Å; N275-R279 VanDerWaalsContact O-N 3.09Å
276S74.6Confident70.1Confident66 Ų6691.3 Ų91.346%0.46253%0.529SS..Hα-helixtrans-69.3-38.3175.869.70000112.5N272 M273 V274 R279 A280N272-S276 WeakPolarHBondContact O-CB 3.16Å; N272-S276 PolarHBondContact O-N 2.75Å; N272-S276 PolarHBondContact O-OG 2.91Å; M273-S276 PolarHBondContact O-N 2.86Å; M273-S276 VanDerWaalsContact O-N 3.13Å; M273-S276 PolarHBondContact O-OG 3.35Å; V274-S276 VanDerWaalsContact C-N 3.3Å; V274-S276 PolarHBondContact O-N 2.87Å; S276-R279 PolarHBondContact O-N 3.2Å; S276-A280 WeakPolarHBondContact O-CB 3.37Å; S276-A280 PolarHBondContact O-N 3.08Å
277T72.5Confident68.9Low73 Ų7392.7 Ų92.745%0.44854%0.542SS..Hα-helixtrans-68.3-41.1176.8-47.80000111.5M273 V274 R279 A280 N281M273-T277 PolarHBondContact O-N 3.06Å; M273-T277 PolarHBondContact O-OG1 3.13Å; V274-T277 PolarHBondContact O-N 3.23Å; T277-R279 PolarHBondContact O-N 2.69Å; T277-A280 PolarHBondContact O-N 3.27Å; T277-N281 PolarHBondContact O-N 3.24Å
278I71.8Confident67.5Low86 Ų8690.7 Ų90.744%0.44155%0.547SS..Hα-helixtrans-62.3-43.2174.8-66.7168.7000110.7V274 N281 N282V274-I278 HydrophobicContact CG1-CD1 3.85Å; V274-I278 HydrophobicContact CG1-CG1 4.47Å; V274-I278 WeakPolarHBondContact O-CG1 3.45Å; V274-I278 PolarHBondContact O-N 3.4Å; I278-N281 PolarHBondContact O-N 3.1Å; I278-N282 VanDerWaalsContact O-CG 3.31Å; I278-N282 PolarHBondContact O-N 3.17Å
279R72.9Confident65.9Low197 Ų19794.6 Ų94.674%0.74356%0.563SS**Hα-helixtrans-63.9-39.7176.1-78.5-178.5178.1172.8-0.3113N275 S276 T277 N282 A283N275-R279 WeakPolarHBondContact O-CG 3.38Å; N275-R279 PolarHBondContact O-N 2.97Å; N275-R279 VanDerWaalsContact O-N 3.09Å; S276-R279 PolarHBondContact O-N 3.2Å; T277-R279 PolarHBondContact O-N 2.69Å; R279-N282 PolarHBondContact O-N 2.79Å; R279-A283 WeakPolarHBondContact O-CB 3.18Å; R279-A283 PolarHBondContact O-N 2.01Å
280A72Confident64.3Low56 Ų5696.5 Ų96.546%0.46358%0.579SS.*Hα-helixtrans-65.5-40.6177.100000112S276 T277 A283 A284S276-A280 WeakPolarHBondContact O-CB 3.37Å; S276-A280 PolarHBondContact O-N 3.08Å; T277-A280 PolarHBondContact O-N 3.27Å; A280-A283 PolarHBondContact O-N 3.1Å; A280-A284 PolarHBondContact O-N 2.69Å; A280-A284 VanDerWaalsContact O-N 3.08Å
281N67.5Low62.4Low110 Ų11098.5 Ų98.559%0.58859%0.592SS**Hα-helixtrans-67.9-39.3177-74.5-1.8000112.3T277 I278 A284 G285T277-N281 PolarHBondContact O-N 3.24Å; I278-N281 PolarHBondContact O-N 3.1Å; N281-A284 PolarHBondContact O-N 2.84Å; N281-G285 PolarHBondContact O-N 3.44Å; N281-G285 VanDerWaalsContact O-N 3.13Å
282N68.8Low60.6Low104 Ų104105.2 Ų105.256%0.55662%0.615SS**Hα-helixtrans-66.1-39.1175.9-68.6-6.5000111.8I278 R279 A284 G285 D286I278-N282 VanDerWaalsContact O-CG 3.31Å; I278-N282 PolarHBondContact O-N 3.17Å; R279-N282 PolarHBondContact O-N 2.79Å; N282-A284 VanDerWaalsContact C-N 3.3Å; N282-A284 PolarHBondContact O-N 2.85Å; N282-G285 PolarHBondContact O-N 2.88Å; N282-D286 PolarHBondContact O-N 3.12Å
283A63.6Low58.7Low63 Ų63109 Ų10952%0.52163%0.629SS.*Hα-helixtrans-68.5-2717600000113.5R279 A280R279-A283 WeakPolarHBondContact O-CB 3.18Å; R279-A283 PolarHBondContact O-N 2.01Å; A280-A283 PolarHBondContact O-N 3.1Å
284A59.7Low56.8Low72 Ų72108.7 Ų108.760%0.59564%0.639SS**Hα-helixtrans-78.2-25.7174.200000112.7A280 N281 N282A280-A284 PolarHBondContact O-N 2.69Å; A280-A284 VanDerWaalsContact O-N 3.08Å; N281-A284 PolarHBondContact O-N 2.84Å; N282-A284 VanDerWaalsContact C-N 3.3Å; N282-A284 PolarHBondContact O-N 2.85Å
285G57Low54.9Low54 Ų54110.1 Ų110.156%0.55765%0.653SS**Hα-helixtrans-77-21.8178.300000115N281 N282N281-G285 PolarHBondContact O-N 3.44Å; N281-G285 VanDerWaalsContact O-N 3.13Å; N282-G285 PolarHBondContact O-N 2.88Å
286D55.9Low52.9Low138 Ų138116.7 Ų116.774%0.73867%0.671SS**THydrogen-bonded Turntrans-873.2-177.6-80.3-16.4000114.4N282 A288N282-D286 PolarHBondContact O-N 3.12Å; D286-A288 PolarHBondContact O-N 3.25Å
287N48.4Very low51.1Low146 Ų146125.3 Ų125.378%0.78169%0.693SS**  trans-94.223.9179.6-76-36000114.5
288A46.7Very low49.7Very low86 Ų86127.1 Ų127.171%0.71171%0.706SS**SBendtrans-124.344.4178.400000112.5D286D286-A288 PolarHBondContact O-N 3.25Å
289D39.8Very low48.1Very low150 Ų150129 Ų12980%0.80272%0.723SS**SBendtrans-170.3145149.2-113.5-26.6000112.4
290S40.2Very low46.9Very low116 Ų116126.8 Ų126.881%0.81173%0.725SS**  trans81.5108.4164.672.80000120.6
291T32.8Very low45.3Very low133 Ų133130 Ų13082%0.81673%0.734SS**  trans-62.3155164.6-28.20000113.2
292Q35.2Very low44.1Very low172 Ų172130.7 Ų130.780%0.80474%0.737SS**  trans98.8111156.2-65-177.1-1900119.9
293Q35.5Very low43.1Very low178 Ų178133.8 Ų133.883%0.83275%0.748SS**  121.996.2119.3-138.5149.74.600118.6
294S30.6Very low42.3Very low116 Ų116135.4 Ų135.481%0.81175%0.752SS**  trans4.8128.9141.2-174.50000120
295S34.2Very low41.6Very low105 Ų105138.1 Ų138.173%0.73476%0.756SS**  178.8115.2121.9-179.80000114.2
296R31.1Very low41.1Very low230 Ų230139.6 Ų139.687%0.86875%0.75SS**  trans34.1124.4144.3-71.4176.8171.7169.5-1.8121.5
297R37.5Very low40.4Very low247 Ų247139 Ų13993%0.93274%0.742SS**  -169.6155.7124.8-100164.6-161.1-167.26.8111.8
298P43.4Very low40.2Very low110 Ų110139.6 Ų139.671%0.71474%0.739SS**  trans-92.6-179.3-148.341.8-38.7000114
299P36.9Very low40.2Very low125 Ų125139 Ų13981%0.81273%0.729SS**  trans-79.5138.7-151.634.6-32.5000112.1
300I47.9Very low40.6Very low151 Ų151137.5 Ų137.577%0.77472%0.721SS**  trans-107.8123.1165.1-62.4171.2000105.2L302I300-L302 PolarHBondContact O-N 3.16Å
301D38.6Very low40.7Very low123 Ų123137.4 Ų137.466%0.65871%0.706SS**  trans-47.5103.8-176.5-86.1-32.2000112.2E303 T304D301-E303 PolarHBondContact O-N 2.81Å; D301-T304 PolarHBondContact O-N 2.85Å; D301-T304 PolarHBondContact O-OG1 3.16Å; D301-T304 VanDerWaalsContact O-OG1 3.14Å
302L43.1Very low41.4Very low125 Ų125136.8 Ų136.865%0.65469%0.693SS**Hα-helixtrans-67.9-19.8179.5-168.366.2000111.5I300 I306I300-L302 PolarHBondContact O-N 3.16Å; L302-I306 HydrophobicContact CD1-CD1 4.4Å; L302-I306 HydrophobicContact CD2-CD1 4.32Å; L302-I306 HydrophobicContact CG-CD1 3.79Å; L302-I306 HydrophobicContact CG-CG1 4.49Å; L302-I306 WeakPolarHBondContact O-CD1 3.38Å; L302-I306 WeakPolarHBondContact O-CG1 3.5Å; L302-I306 PolarHBondContact O-N 2.74Å
303E46.1Very low42.2Very low169 Ų169132.3 Ų132.379%0.7968%0.679SS**Hα-helixtrans-74.4-28.3179.1-72.7-147.3143.100114D301 H307D301-E303 PolarHBondContact O-N 2.81Å; E303-H307 PolarHBondContact O-N 3.47Å
304T48.1Very low42.7Very low98 Ų98130.7 Ų130.760%0.60167%0.67SS**Hα-helixtrans-82.6-24.7178.144.50000113.1D301D301-T304 PolarHBondContact O-N 2.85Å; D301-T304 PolarHBondContact O-OG1 3.16Å; D301-T304 VanDerWaalsContact O-OG1 3.14Å
305L45.1Very low43.4Very low128 Ų128130.3 Ų130.367%0.6766%0.658SS**Hα-helixtrans-81.1-26.4174.7-129.996.6000113S309L305-S309 PolarHBondContact O-N 3.34Å; L305-S309 PolarHBondContact O-OG 2.83Å
306I46.5Very low44.1Very low85 Ų85133.9 Ų133.944%0.43666%0.655SS.*Hα-helixtrans-79.2-33.6176.9-67.3171.4000111.3L302 S309 L310L302-I306 HydrophobicContact CD1-CD1 4.4Å; L302-I306 HydrophobicContact CD2-CD1 4.32Å; L302-I306 HydrophobicContact CG-CD1 3.79Å; L302-I306 HydrophobicContact CG-CG1 4.49Å; L302-I306 WeakPolarHBondContact O-CD1 3.38Å; L302-I306 WeakPolarHBondContact O-CG1 3.5Å; L302-I306 PolarHBondContact O-N 2.74Å; I306-S309 PolarHBondContact O-OG 2.72Å; I306-L310 HydrophobicContact CG2-CD1 4.04Å; I306-L310 PolarHBondContact O-N 2.91Å
307H40.7Very low45Very low125 Ų125131.8 Ų131.858%0.57965%0.647SS**Hα-helixtrans-74.8-27.7179.1-150-101.2000113.4E303 F311E303-H307 PolarHBondContact O-N 3.47Å; H307-F311 AromaticContact CE1-CE2 3.62Å; H307-F311 AromaticContact NE2-CE2 3.95Å
308F44Very low45.6Very low160 Ų160123.3 Ų123.370%0.70262%0.623SS**Hα-helixtrans-83.4-26.3179-144.6-95.4000113.4
309S46.9Very low46.2Very low74 Ų74122.4 Ų122.452%0.51762%0.616SS.*Hα-helixtrans-81-24.2178.954.30000113.7L305 I306 P313L305-S309 PolarHBondContact O-N 3.34Å; L305-S309 PolarHBondContact O-OG 2.83Å; I306-S309 PolarHBondContact O-OG 2.72Å; S309-P313 WeakPolarHBondContact O-CD 3.25Å
310L47.1Very low47.2Very low118 Ų118119.9 Ų119.962%0.61859%0.593SS**Hα-helixtrans-83.1-29.9176.9-75.4166.7000113.8I306 P313I306-L310 HydrophobicContact CG2-CD1 4.04Å; I306-L310 PolarHBondContact O-N 2.91Å; L310-P313 WeakPolarHBondContact O-CD 3.46Å
311F43.3Very low47.8Very low113 Ų113116.6 Ų116.650%0.49658%0.577SS.*Hα-helixtrans-82.1-27.6-179.8-95.2-86.7000114.3H307 F314 L315H307-F311 AromaticContact CE1-CE2 3.62Å; H307-F311 AromaticContact NE2-CE2 3.95Å; F311-F314 PolarHBondContact O-N 3.11Å; F311-L315 PolarHBondContact O-N 2.79Å; F311-L315 VanDerWaalsContact O-N 3.15Å
312H48.2Very low48.8Very low121 Ų121115 Ų11556%0.5658%0.575SS**Hα-helixtrans-65.3-39.7-178.6-149.4-82.8000115.3R316H312-R316 WeakPolarHBondContact O-CB 3.34Å; H312-R316 PolarHBondContact O-N 3.07Å
313P50.2Low49.9Very low78 Ų78113 Ų11351%0.50656%0.561SS.*Hα-helixtrans-72.3-30.617425.2-31.4000112.6S309 L310 R316 R317S309-P313 WeakPolarHBondContact O-CD 3.25Å; L310-P313 WeakPolarHBondContact O-CD 3.46Å; P313-R316 PolarHBondContact O-N 3.05Å; P313-R317 VanDerWaalsContact O-CB 3.31Å; P313-R317 WeakPolarHBondContact O-CB 3.41Å; P313-R317 PolarHBondContact O-N 3.07Å
314F46Very low50.7Low144 Ų144109.4 Ų109.463%0.63254%0.54SS*.Hα-helixtrans-70.4-43.5-179.2-161.1-99.7000112F311 R317 T318F311-F314 PolarHBondContact O-N 3.11Å; F314-R317 PolarHBondContact O-N 3.31Å; F314-T318 WeakPolarHBondContact O-CG2 3.5Å; F314-T318 PolarHBondContact O-N 3.22Å; F314-T318 VanDerWaalsContact O-N 3.15Å; F314-T318 PolarHBondContact O-OG1 3.26Å; F314-T318 VanDerWaalsContact O-OG1 3.11Å
315L46.4Very low51.7Low108 Ų108111.9 Ų111.957%0.56554%0.542SS*.Hα-helixtrans-69.1-31.2174.8-77.5158.3000113.2F311 T318 T319F311-L315 PolarHBondContact O-N 2.79Å; F311-L315 VanDerWaalsContact O-N 3.15Å; L315-T318 WeakPolarHBondContact CA-OG1 3.5Å; L315-T318 PolarHBondContact O-OG1 2.83Å; L315-T318 VanDerWaalsContact O-OG1 3.05Å; L315-T319 WeakPolarHBondContact O-CG2 3.48Å; L315-T319 PolarHBondContact O-N 2.99Å; L315-T319 PolarHBondContact O-OG1 3.06Å; L315-T319 VanDerWaalsContact O-OG1 3.05Å
316R48.5Very low53.2Low179 Ų179107.6 Ų107.668%0.67553%0.53SS*.Hα-helixtrans-76-29.5176-162.7178.1-170.9-171.24.2112.8H312 P313 T319 H320H312-R316 WeakPolarHBondContact O-CB 3.34Å; H312-R316 PolarHBondContact O-N 3.07Å; P313-R316 PolarHBondContact O-N 3.05Å; R316-T319 WeakPolarHBondContact CA-OG1 3.14Å; R316-T319 PolarHBondContact O-OG1 2.92Å; R316-H320 PolarHBondContact O-N 3Å
317R50.5Low54.3Low186 Ų186104.8 Ų104.870%0.70252%0.519SS*.Hα-helixtrans-76.3-40.7177.3-150.9167.7-163.2161.11.9111.4P313 F314 T319 H320 D321P313-R317 VanDerWaalsContact O-CB 3.31Å; P313-R317 WeakPolarHBondContact O-CB 3.41Å; P313-R317 PolarHBondContact O-N 3.07Å; F314-R317 PolarHBondContact O-N 3.31Å; R317-T319 PolarHBondContact O-N 2.82Å; R317-H320 PolarHBondContact O-N 2.8Å; R317-D321 PolarHBondContact O-N 3.19Å
318T50.8Low55.9Low69 Ų69106 Ų10642%0.42352%0.523SS..Hα-helixtrans-65.5-36.9176.449.10000113.1F314 L315 C322F314-T318 WeakPolarHBondContact O-CG2 3.5Å; F314-T318 PolarHBondContact O-N 3.22Å; F314-T318 VanDerWaalsContact O-N 3.15Å; F314-T318 PolarHBondContact O-OG1 3.26Å; F314-T318 VanDerWaalsContact O-OG1 3.11Å; L315-T318 WeakPolarHBondContact CA-OG1 3.5Å; L315-T318 PolarHBondContact O-OG1 2.83Å; L315-T318 VanDerWaalsContact O-OG1 3.05Å; T318-C322 VanDerWaalsContact O-CB 3.3Å; T318-C322 WeakPolarHBondContact O-CB 3.29Å; T318-C322 PolarHBondContact O-N 3.07Å
319T54.8Low57.6Low92 Ų92103.4 Ų103.456%0.56452%0.515SS*.Hα-helixtrans-68.6-37174.148.40000112.8L315 R316 R317 F323L315-T319 WeakPolarHBondContact O-CG2 3.48Å; L315-T319 PolarHBondContact O-N 2.99Å; L315-T319 PolarHBondContact O-OG1 3.06Å; L315-T319 VanDerWaalsContact O-OG1 3.05Å; R316-T319 WeakPolarHBondContact CA-OG1 3.14Å; R316-T319 PolarHBondContact O-OG1 2.92Å; R317-T319 PolarHBondContact O-N 2.82Å; T319-F323 WeakPolarHBondContact O-CB 3.2Å; T319-F323 PolarHBondContact O-N 2.75Å
320H57.7Low59.1Low72 Ų72104.4 Ų104.433%0.33351%0.51SS..Hα-helixtrans-66.8-44.2175.5-177.3-95.6000112R316 R317 F323 W324R316-H320 PolarHBondContact O-N 3Å; R317-H320 PolarHBondContact O-N 2.8Å; H320-F323 PolarHBondContact O-N 3.07Å; H320-W324 AromaticContact CD2-NE1 3.99Å; H320-W324 AromaticContact CE1-CD1 3.19Å; H320-W324 AromaticContact CE1-NE1 2.98Å; H320-W324 PolarHBondContact CE1-NE1 2.8Å; H320-W324 AromaticContact CG-CD1 4Å; H320-W324 AromaticContact ND1-CD1 3.47Å; H320-W324 AromaticContact ND1-NE1 3.76Å; H320-W324 AromaticContact NE2-CD1 3.53Å; H320-W324 AromaticContact NE2-NE1 3.1Å; H320-W324 PolarHBondContact NE2-NE1 2.88Å; H320-W324 VanDerWaalsContact NE2-NE1 3.1Å; H320-W324 VanDerWaalsContact O-CD1 3.3Å; H320-W324 PolarHBondContact O-N 3.48Å
321D60.9Low60.5Low81 Ų81100.8 Ų100.843%0.43349%0.49SS..Hα-helixtrans-70.1-35.3-179.8-66.6-19.5000112.1R317 W324 K325R317-D321 PolarHBondContact O-N 3.19Å; D321-W324 PolarHBondContact O-N 2.81Å; D321-K325 WeakPolarHBondContact O-CB 3.43Å; D321-K325 WeakPolarHBondContact O-CG 2.81Å; D321-K325 PolarHBondContact O-N 2.99Å
322C60.1Low62.3Low91 Ų9198.8 Ų98.862%0.61549%0.487SS*.Hα-helixtrans-64.7-41.8172.2-166.10000111.5T318 K325 G326T318-C322 VanDerWaalsContact O-CB 3.3Å; T318-C322 WeakPolarHBondContact O-CB 3.29Å; T318-C322 PolarHBondContact O-N 3.07Å; C322-K325 PolarHBondContact O-N 3.34Å; C322-G326 PolarHBondContact O-N 2.54Å
323F65.7Low63.9Low82 Ų8295.5 Ų95.536%0.3648%0.477SS..Hα-helixtrans-64.2-40.4175.7-175.7-98.5000112.6L258 I262 T319 H320 G326 A327L258-F323 HydrophobicContact CD2-CE1 4.49Å; L258-F323 HydrophobicContact CD2-CE2 4.26Å; L258-F323 HydrophobicContact CD2-CZ 3.61Å; I262-F323 HydrophobicContact CD1-CE1 4.32Å; I262-F323 HydrophobicContact CG1-CE1 4.27Å; T319-F323 WeakPolarHBondContact O-CB 3.2Å; T319-F323 PolarHBondContact O-N 2.75Å; H320-F323 PolarHBondContact O-N 3.07Å; F323-G326 PolarHBondContact O-N 3.34Å; F323-A327 WeakPolarHBondContact O-CB 3.11Å; F323-A327 PolarHBondContact O-N 2.82Å
324W63.2Low65.3Low94 Ų9492.4 Ų92.436%0.35646%0.458SS..Hα-helixtrans-65.4-43.2174.9-92.592.9000112.9I262 H320 D321 G326 A327 K328I262-W324 HydrophobicContact CD1-CH2 4.47Å; I262-W324 HydrophobicContact CD1-CZ2 4.16Å; I262-W324 HydrophobicContact CG2-CH2 4.26Å; I262-W324 HydrophobicContact CG2-CZ2 3.53Å; H320-W324 AromaticContact CD2-NE1 3.99Å; H320-W324 AromaticContact CE1-CD1 3.19Å; H320-W324 AromaticContact CE1-NE1 2.98Å; H320-W324 PolarHBondContact CE1-NE1 2.8Å; H320-W324 AromaticContact CG-CD1 4Å; H320-W324 AromaticContact ND1-CD1 3.47Å; H320-W324 AromaticContact ND1-NE1 3.76Å; H320-W324 AromaticContact NE2-CD1 3.53Å; H320-W324 AromaticContact NE2-NE1 3.1Å; H320-W324 PolarHBondContact NE2-NE1 2.88Å; H320-W324 VanDerWaalsContact NE2-NE1 3.1Å; H320-W324 VanDerWaalsContact O-CD1 3.3Å; H320-W324 PolarHBondContact O-N 3.48Å; D321-W324 PolarHBondContact O-N 2.81Å; W324-G326 VanDerWaalsContact C-N 3.34Å; W324-A327 PolarHBondContact O-N 2.89Å; W324-K328 WeakPolarHBondContact O-CB 3.43Å; W324-K328 PolarHBondContact O-N 2.73Å
325K69.9Low67Low149 Ų14986.6 Ų86.665%0.64843%0.433SS*.Hα-helixtrans-60.8-45.6173.5-75-179.9-178.8-178.40110.4D321 C322 K328 I329D321-K325 WeakPolarHBondContact O-CB 3.43Å; D321-K325 WeakPolarHBondContact O-CG 2.81Å; D321-K325 PolarHBondContact O-N 2.99Å; C322-K325 PolarHBondContact O-N 3.34Å; K325-K328 PolarHBondContact O-N 2.92Å; K325-I329 WeakPolarHBondContact O-CB 3.34Å; K325-I329 WeakPolarHBondContact O-CD1 3.47Å; K325-I329 WeakPolarHBondContact O-CG1 3.24Å; K325-I329 PolarHBondContact O-N 3.42Å
326G74.9Confident68.8Low39 Ų3985.6 Ų85.640%0.40243%0.431SS..Hα-helixtrans-60.2-46.4177.200000113.6C322 F323 W324 I329 F330C322-G326 PolarHBondContact O-N 2.54Å; F323-G326 PolarHBondContact O-N 3.34Å; W324-G326 VanDerWaalsContact C-N 3.34Å; G326-I329 PolarHBondContact O-N 3.1Å; G326-F330 WeakPolarHBondContact O-CB 3.34Å; G326-F330 PolarHBondContact O-N 2.83Å
327A70.8Confident70.7Confident26 Ų2682.2 Ų82.222%0.21543%0.425CS..Hα-helixtrans-66.4-39.9178.700000112.6F323 W324 F330 H331F323-A327 WeakPolarHBondContact O-CB 3.11Å; F323-A327 PolarHBondContact O-N 2.82Å; W324-A327 PolarHBondContact O-N 2.89Å; A327-F330 PolarHBondContact O-N 2.94Å; A327-H331 WeakPolarHBondContact O-CB 3.24Å; A327-H331 PolarHBondContact O-N 2.91Å
328K74.5Confident72.3Confident151 Ų15174.7 Ų74.766%0.65740%0.399SS*.Hα-helixtrans-67.9-42.4176.5-170.8171.9-178.1175.10111.5W324 K325 H331 V332W324-K328 WeakPolarHBondContact O-CB 3.43Å; W324-K328 PolarHBondContact O-N 2.73Å; K325-K328 PolarHBondContact O-N 2.92Å; K328-H331 PolarHBondContact O-N 2.85Å; K328-V332 WeakPolarHBondContact O-CB 3.44Å; K328-V332 VanDerWaalsContact O-CG2 3.29Å; K328-V332 WeakPolarHBondContact O-CG2 3.29Å; K328-V332 PolarHBondContact O-N 3.45Å
329I79.3Confident74Confident105 Ų10573 Ų7354%0.53839%0.389SS..Hα-helixtrans-61-48.2173.9-69163.1000109.7K325 G326 H331 V332 S333K325-I329 WeakPolarHBondContact O-CB 3.34Å; K325-I329 WeakPolarHBondContact O-CD1 3.47Å; K325-I329 WeakPolarHBondContact O-CG1 3.24Å; K325-I329 PolarHBondContact O-N 3.42Å; G326-I329 PolarHBondContact O-N 3.1Å; I329-H331 VanDerWaalsContact C-N 3.31Å; I329-H331 PolarHBondContact O-N 2.85Å; I329-V332 PolarHBondContact O-N 2.91Å; I329-S333 WeakPolarHBondContact O-CB 2.92Å; I329-S333 PolarHBondContact O-N 2.66Å; I329-S333 PolarHBondContact O-OG 3.43Å
330F78.8Confident75.7Confident94 Ų9472.7 Ų72.741%0.41239%0.386SS..Hα-helixtrans-57.7-43177.3179.7-98.6000112.5K251 V254 V255 G326 A327 S334K251-F330 HydrophobicContact CG-CE1 4.01Å; K251-F330 HydrophobicContact CG-CZ 4.35Å; V254-F330 HydrophobicContact CG1-CE1 4.27Å; V255-F330 HydrophobicContact CG2-CE1 4.44Å; G326-F330 WeakPolarHBondContact O-CB 3.34Å; G326-F330 PolarHBondContact O-N 2.83Å; A327-F330 PolarHBondContact O-N 2.94Å; F330-S334 WeakPolarHBondContact O-CB 3.47Å; F330-S334 PolarHBondContact O-N 2.9Å
331H77.1Confident77.3Confident42 Ų4270.9 Ų70.919%0.19438%0.384CS..Hα-helixtrans-61.4-51.2178.4-168.5-98.3000112.2L191 K251 A327 K328 I329 S334 Q335L191-H331 PolarHBondContact O-CE1 2.53Å; K251-H331 PolarHBondContact NZ-O 3.3Å; A327-H331 WeakPolarHBondContact O-CB 3.24Å; A327-H331 PolarHBondContact O-N 2.91Å; K328-H331 PolarHBondContact O-N 2.85Å; I329-H331 VanDerWaalsContact C-N 3.31Å; I329-H331 PolarHBondContact O-N 2.85Å; H331-S334 PolarHBondContact O-N 2.92Å; H331-Q335 PolarHBondContact CE1-NE2 2.9Å; H331-Q335 PolarHBondContact ND1-NE2 3.34Å; H331-Q335 WeakPolarHBondContact O-CG 3.46Å; H331-Q335 PolarHBondContact O-N 3.31Å; H331-Q335 VanDerWaalsContact O-N 3.15Å
332V80.4Confident78.7Confident71 Ų7167.8 Ų67.843%0.4337%0.367SS..Hα-helixtrans-69.3-46.1-177.4173.70000111.3K328 I329 S334 Q335 V336K328-V332 WeakPolarHBondContact O-CB 3.44Å; K328-V332 VanDerWaalsContact O-CG2 3.29Å; K328-V332 WeakPolarHBondContact O-CG2 3.29Å; K328-V332 PolarHBondContact O-N 3.45Å; I329-V332 PolarHBondContact O-N 2.91Å; V332-S334 VanDerWaalsContact C-N 3.27Å; V332-S334 PolarHBondContact O-N 3.18Å; V332-Q335 WeakPolarHBondContact O-CB 3.44Å; V332-Q335 PolarHBondContact O-N 2.94Å; V332-Q335 VanDerWaalsContact O-N 3.15Å; V332-V336 PolarHBondContact O-N 2.86Å
333S81.7Confident80Confident52 Ų5265.5 Ų65.536%0.36436%0.359SS..Hα-helixtrans-58.2-42.6176.3-64.90000110.9I329 Q335 V336 I337I329-S333 WeakPolarHBondContact O-CB 2.92Å; I329-S333 PolarHBondContact O-N 2.66Å; I329-S333 PolarHBondContact O-OG 3.43Å; S333-Q335 PolarHBondContact O-N 3.2Å; S333-V336 PolarHBondContact O-N 2.87Å; S333-I337 WeakPolarHBondContact O-CB 3.38Å; S333-I337 WeakPolarHBondContact O-CD1 3.4Å; S333-I337 WeakPolarHBondContact O-CG1 3.44Å; S333-I337 PolarHBondContact O-N 2.83Å
334S79Confident81.2Confident14 Ų1464.9 Ų64.910%0.09836%0.361CS..Hα-helixtrans-69-29.5178.9171.30000113.7K251 F330 H331 V332 V336 L338K251-S334 WeakPolarHBondContact CD-OG 3.37Å; K251-S334 VanDerWaalsContact CE-CB 3.44Å; K251-S334 WeakPolarHBondContact CE-OG 3.49Å; K251-S334 WeakPolarHBondContact CG-OG 3.41Å; K251-S334 PolarHBondContact NZ-OG 2.87Å; K251-S334 VanDerWaalsContact NZ-OG 3.16Å; F330-S334 WeakPolarHBondContact O-CB 3.47Å; F330-S334 PolarHBondContact O-N 2.9Å; H331-S334 PolarHBondContact O-N 2.92Å; V332-S334 VanDerWaalsContact C-N 3.27Å; V332-S334 PolarHBondContact O-N 3.18Å; S334-V336 PolarHBondContact O-N 2.78Å; S334-L338 PolarHBondContact O-N 3.19Å; S334-L338 WeakPolarHBondContact OG-CD1 3.44Å
335Q81.3Confident82.5Confident22 Ų2262.8 Ų62.810%0.10336%0.355CS..Hα-helixtrans-64.4-27.4174.1-76.8172-2700112.5L191 W192 H331 V332 S333 P339L191-Q335 HydrophobicContact CB-CG 4.38Å; L191-Q335 PolarHBondContact O-NE2 3.35Å; W192-Q335 HydrophobicContact CZ2-CB 4.41Å; H331-Q335 PolarHBondContact CE1-NE2 2.9Å; H331-Q335 PolarHBondContact ND1-NE2 3.34Å; H331-Q335 WeakPolarHBondContact O-CG 3.46Å; H331-Q335 PolarHBondContact O-N 3.31Å; H331-Q335 VanDerWaalsContact O-N 3.15Å; V332-Q335 WeakPolarHBondContact O-CB 3.44Å; V332-Q335 PolarHBondContact O-N 2.94Å; V332-Q335 VanDerWaalsContact O-N 3.15Å; S333-Q335 PolarHBondContact O-N 3.2Å; Q335-P339 WeakPolarHBondContact O-CD 3.35Å; Q335-P339 VanDerWaalsContact O-CG 3.24Å; Q335-P339 WeakPolarHBondContact O-CG 3.37Å
336V84.9Confident83.4Confident87 Ų8756.2 Ų56.253%0.52733%0.329SS..Hα-helixtrans-95-44.3179.3-179.20000111.6V332 S333 S334 L338 P339 V340V332-V336 PolarHBondContact O-N 2.86Å; S333-V336 PolarHBondContact O-N 2.87Å; S334-V336 PolarHBondContact O-N 2.78Å; V336-L338 PolarHBondContact O-N 2.79Å; V336-P339 WeakPolarHBondContact O-CD 3.02Å; V336-V340 HydrophobicContact CG1-CG2 4.15Å; V336-V340 WeakPolarHBondContact O-CB 3.37Å; V336-V340 WeakPolarHBondContact O-CG2 3.37Å; V336-V340 PolarHBondContact O-N 3.05Å
337I87.8Confident84Confident107 Ų10761.3 Ų61.355%0.54934%0.341SS..Hα-helixtrans-64.4-42.6-172.9-69.2165000111.8S333 A341S333-I337 WeakPolarHBondContact O-CB 3.38Å; S333-I337 WeakPolarHBondContact O-CD1 3.4Å; S333-I337 WeakPolarHBondContact O-CG1 3.44Å; S333-I337 PolarHBondContact O-N 2.83Å; I337-A341 WeakPolarHBondContact O-CB 3.5Å; I337-A341 PolarHBondContact O-N 3.35Å
338L85.3Confident84.7Confident29 Ų2966.3 Ų66.315%0.15236%0.358CS..Hα-helixtrans-67.1-50.3-175.6-73.5170.6000112.6L191 L247 S334 V336 V340 A341 F342L191-L338 HydrophobicContact CD1-CD1 3.93Å; L247-L338 HydrophobicContact CB-CD2 4.16Å; S334-L338 PolarHBondContact O-N 3.19Å; S334-L338 WeakPolarHBondContact OG-CD1 3.44Å; V336-L338 PolarHBondContact O-N 2.79Å; L338-V340 PolarHBondContact O-N 3.13Å; L338-A341 PolarHBondContact O-N 2.86Å; L338-F342 PolarHBondContact O-N 3Å
339P86.9Confident85.2Confident33 Ų3359.8 Ų59.821%0.21433%0.329CS..Hα-helixtrans-59.8-42.1174.2-27.236.6000113.7W188 Q335 V336 F342 G343W188-P339 HydrophobicContact CD2-CB 4.45Å; W188-P339 HydrophobicContact CD2-CG 4.22Å; W188-P339 HydrophobicContact CE3-CB 3.47Å; W188-P339 VanDerWaalsContact CE3-CB 3.47Å; W188-P339 HydrophobicContact CE3-CG 3.59Å; W188-P339 HydrophobicContact CZ3-CB 3.58Å; W188-P339 HydrophobicContact CZ3-CG 4.22Å; Q335-P339 WeakPolarHBondContact O-CD 3.35Å; Q335-P339 VanDerWaalsContact O-CG 3.24Å; Q335-P339 WeakPolarHBondContact O-CG 3.37Å; V336-P339 WeakPolarHBondContact O-CD 3.02Å; P339-F342 PolarHBondContact O-N 3.29Å; P339-G343 PolarHBondContact O-N 3.14Å
340V89.5Confident85.2Confident85 Ų8558 Ų5852%0.51532%0.318SS..Hα-helixtrans-64.4-44.2179.5172.20000110.5V336 L338 F342 G343 T344V336-V340 HydrophobicContact CG1-CG2 4.15Å; V336-V340 WeakPolarHBondContact O-CB 3.37Å; V336-V340 WeakPolarHBondContact O-CG2 3.37Å; V336-V340 PolarHBondContact O-N 3.05Å; L338-V340 PolarHBondContact O-N 3.13Å; V340-F342 VanDerWaalsContact C-N 3.35Å; V340-F342 PolarHBondContact O-N 3.05Å; V340-G343 PolarHBondContact O-N 2.91Å; V340-T344 HydrophobicContact CG1-CG2 4.47Å; V340-T344 WeakPolarHBondContact O-CG2 3.44Å; V340-T344 PolarHBondContact O-N 2.71Å; V340-T344 PolarHBondContact O-OG1 2.84Å
341A90.6Very high85.3Confident34 Ų3455.5 Ų55.528%0.28131%0.314SS..Hα-helixtrans-64.1-37.3177.200000112.8F244 I337 L338 T344 F345F244-A341 HydrophobicContact CE1-CB 3.81Å; F244-A341 HydrophobicContact CZ-CB 4.19Å; I337-A341 WeakPolarHBondContact O-CB 3.5Å; I337-A341 PolarHBondContact O-N 3.35Å; L338-A341 PolarHBondContact O-N 2.86Å; A341-T344 PolarHBondContact O-OG1 3.16Å; A341-F345 VanDerWaalsContact O-CB 3.29Å; A341-F345 WeakPolarHBondContact O-CB 3.38Å; A341-F345 PolarHBondContact O-N 2.91Å
342F90.2Very high85.2Confident17 Ų1758.5 Ų58.58%0.07533%0.331CS..Hα-helixtrans-70-40.9175.2-176.4-111000112T181 V184 F244 L338 P339 V340 F345 G346T181-F342 HydrophobicContact CG2-CE1 4.44Å; T181-F342 HydrophobicContact CG2-CZ 4.22Å; V184-F342 HydrophobicContact CB-CE1 4.34Å; V184-F342 HydrophobicContact CB-CE2 4.35Å; V184-F342 HydrophobicContact CB-CZ 4.08Å; V184-F342 HydrophobicContact CG1-CD1 4.03Å; V184-F342 HydrophobicContact CG1-CD2 3.93Å; V184-F342 HydrophobicContact CG1-CE1 4.02Å; V184-F342 HydrophobicContact CG1-CE2 3.92Å; V184-F342 HydrophobicContact CG1-CG 3.98Å; V184-F342 HydrophobicContact CG1-CZ 3.96Å; V184-F342 HydrophobicContact CG2-CE2 4.23Å; V184-F342 HydrophobicContact CG2-CZ 4.26Å; F244-F342 HydrophobicContact CB-CD2 4.43Å; F244-F342 HydrophobicContact CD1-CB 4.35Å; F244-F342 AromaticContact CD2-CD2 3.62Å; F244-F342 HydrophobicContact CD2-CD2 3.62Å; F244-F342 HydrophobicContact CD2-CE2 4.35Å; F244-F342 HydrophobicContact CE1-CB 4.33Å; F244-F342 AromaticContact CE2-CD2 3.98Å; F244-F342 HydrophobicContact CE2-CD2 3.98Å; F244-F342 HydrophobicContact CG-CB 4.49Å; F244-F342 HydrophobicContact CG-CD2 4Å; F244-F342 HydrophobicContact CZ-CB 4.45Å; L338-F342 PolarHBondContact O-N 3Å; P339-F342 PolarHBondContact O-N 3.29Å; V340-F342 VanDerWaalsContact C-N 3.35Å; V340-F342 PolarHBondContact O-N 3.05Å; F342-F345 PolarHBondContact O-N 3.04Å; F342-G346 PolarHBondContact O-N 3.28Å
343G89.4Confident84.6Confident43 Ų4359.1 Ų59.144%0.44333%0.328SS..Hα-helixtrans-63.2-43.3176.600000112.8P339 V340 G346 F347P339-G343 PolarHBondContact O-N 3.14Å; V340-G343 PolarHBondContact O-N 2.91Å; G343-G346 PolarHBondContact O-N 3.04Å; G343-F347 WeakPolarHBondContact O-CB 3.47Å; G343-F347 PolarHBondContact O-N 2.83Å
344T90.6Very high83.7Confident68 Ų6861.3 Ų61.342%0.41734%0.344SS..Hα-helixtrans-66.3-43.2175.555.90000111.4V340 A341 G346 F347 F348V340-T344 HydrophobicContact CG1-CG2 4.47Å; V340-T344 WeakPolarHBondContact O-CG2 3.44Å; V340-T344 PolarHBondContact O-N 2.71Å; V340-T344 PolarHBondContact O-OG1 2.84Å; A341-T344 PolarHBondContact O-OG1 3.16Å; T344-G346 PolarHBondContact O-N 3.45Å; T344-F347 PolarHBondContact O-N 3Å; T344-F348 WeakPolarHBondContact O-CD2 3.25Å; T344-F348 PolarHBondContact O-N 3.26Å
345F90.4Very high82.6Confident50 Ų5067.1 Ų67.122%0.21937%0.373CS..Hα-helixtrans-56.5-49.2173.2171.7-98.6000111.6Y237 A240 F244 A341 F342 F347 F348 Y349Y237-F345 AromaticContact CD2-CE1 3.8Å; Y237-F345 HydrophobicContact CD2-CE1 3.8Å; Y237-F345 HydrophobicContact CD2-CZ 4.4Å; Y237-F345 HydrophobicContact CE2-CE1 4.03Å; A240-F345 HydrophobicContact CB-CD1 4.14Å; A240-F345 HydrophobicContact CB-CD2 4.46Å; A240-F345 HydrophobicContact CB-CE1 3.36Å; A240-F345 HydrophobicContact CB-CE2 3.75Å; A240-F345 HydrophobicContact CB-CZ 3.13Å; F244-F345 HydrophobicContact CE2-CB 4.12Å; F244-F345 HydrophobicContact CE2-CD1 4.25Å; F244-F345 HydrophobicContact CE2-CG 4.12Å; F244-F345 HydrophobicContact CZ-CB 4.32Å; A341-F345 VanDerWaalsContact O-CB 3.29Å; A341-F345 WeakPolarHBondContact O-CB 3.38Å; A341-F345 PolarHBondContact O-N 2.91Å; F342-F345 PolarHBondContact O-N 3.04Å; F345-F347 PolarHBondContact O-N 2.85Å; F345-F348 PolarHBondContact O-N 3.07Å; F345-Y349 HydrophobicContact CZ-CD2 4.16Å; F345-Y349 WeakPolarHBondContact O-CB 3.4Å; F345-Y349 PolarHBondContact O-N 3.39Å
346G87.6Confident81.3Confident11 Ų1169.7 Ų69.711%0.11339%0.391CS..Hα-helixtrans-59.5-43.6178.300000112.6F342 G343 T344 Y349 F350F342-G346 PolarHBondContact O-N 3.28Å; G343-G346 PolarHBondContact O-N 3.04Å; T344-G346 PolarHBondContact O-N 3.45Å; G346-Y349 PolarHBondContact O-N 2.81Å; G346-F350 WeakPolarHBondContact O-CD2 3.26Å; G346-F350 PolarHBondContact O-N 3.07Å
347F87.5Confident79.3Confident147 Ų14771.4 Ų71.465%0.64540%0.397SS*.Hα-helixtrans-61.5-51.4177.2-179.8-96.4000112.3G343 T344 F345 Y349 F350 A351G343-F347 WeakPolarHBondContact O-CB 3.47Å; G343-F347 PolarHBondContact O-N 2.83Å; T344-F347 PolarHBondContact O-N 3Å; F345-F347 PolarHBondContact O-N 2.85Å; F347-Y349 VanDerWaalsContact C-N 3.31Å; F347-Y349 PolarHBondContact O-N 3.42Å; F347-F350 PolarHBondContact O-N 3.23Å; F347-A351 VanDerWaalsContact O-CB 3.32Å; F347-A351 WeakPolarHBondContact O-CB 3.46Å; F347-A351 PolarHBondContact O-N 2.96Å
348F87Confident77.3Confident130 Ų13072.6 Ų72.657%0.5740%0.402SS*.Hα-helixtrans-63.5-39.5178.4-80.2-66.8000112T344 F345 A351 I352T344-F348 WeakPolarHBondContact O-CD2 3.25Å; T344-F348 PolarHBondContact O-N 3.26Å; F345-F348 PolarHBondContact O-N 3.07Å; F348-A351 PolarHBondContact O-N 3.01Å; F348-I352 WeakPolarHBondContact O-CB 3.42Å; F348-I352 WeakPolarHBondContact O-CD1 3.48Å; F348-I352 VanDerWaalsContact O-CG1 3.23Å; F348-I352 WeakPolarHBondContact O-CG1 3.26Å; F348-I352 PolarHBondContact O-N 3.35Å
349Y84Confident74.8Confident14 Ų1476.1 Ų76.16%0.05543%0.428CS..Hα-helixtrans-59-49.3177.6177.6-88.5000111.7F177 V233 Y237 F345 G346 F347 F353F177-Y349 HydrophobicContact CE1-CD1 4.43Å; F177-Y349 AromaticContact CE1-CE1 3.54Å; F177-Y349 HydrophobicContact CE1-CE1 3.54Å; F177-Y349 AromaticContact CZ-CE1 3.93Å; F177-Y349 HydrophobicContact CZ-CE1 3.93Å; V233-Y349 HydrophobicContact CB-CE2 4.42Å; V233-Y349 HydrophobicContact CG1-CD2 4.31Å; V233-Y349 HydrophobicContact CG1-CE1 4.26Å; V233-Y349 HydrophobicContact CG1-CE2 3.38Å; V233-Y349 WeakPolarHBondContact CG1-OH 3.4Å; V233-Y349 VanDerWaalsContact O-CE2 3.24Å; V233-Y349 WeakPolarHBondContact O-CE2 3.44Å; V233-Y349 PolarHBondContact O-OH 2.97Å; Y237-Y349 WeakPolarHBondContact CB-OH 3.37Å; Y237-Y349 AromaticContact CD2-CD1 3.61Å; Y237-Y349 HydrophobicContact CD2-CD1 3.61Å; Y237-Y349 AromaticContact CD2-CD2 3.99Å; Y237-Y349 HydrophobicContact CD2-CD2 3.99Å; Y237-Y349 AromaticContact CD2-CE1 3.63Å; Y237-Y349 HydrophobicContact CD2-CE1 3.63Å; Y237-Y349 AromaticContact CD2-CE2 3.99Å; Y237-Y349 HydrophobicContact CD2-CE2 3.99Å; Y237-Y349 AromaticContact CD2-CG 3.8Å; Y237-Y349 HydrophobicContact CD2-CG 3.8Å; Y237-Y349 AromaticContact CD2-CZ 3.81Å; Y237-Y349 HydrophobicContact CE2-CD1 4.09Å; Y237-Y349 HydrophobicContact CE2-CE1 4.36Å; Y237-Y349 HydrophobicContact CE2-CG 4.42Å; Y237-Y349 HydrophobicContact CG-CE1 4.13Å; Y237-Y349 HydrophobicContact CG-CE2 4.29Å; Y237-Y349 AromaticContact CG-CZ 3.98Å; F345-Y349 HydrophobicContact CZ-CD2 4.16Å; F345-Y349 WeakPolarHBondContact O-CB 3.4Å; F345-Y349 PolarHBondContact O-N 3.39Å; G346-Y349 PolarHBondContact O-N 2.81Å; F347-Y349 VanDerWaalsContact C-N 3.31Å; F347-Y349 PolarHBondContact O-N 3.42Å; Y349-F353 WeakPolarHBondContact O-CB 3.35Å; Y349-F353 PolarHBondContact O-N 2.62Å
350F80Confident72.2Confident68 Ų6877 Ų7730%0.29844%0.435SS..Hα-helixtrans-72.4-34.2179.6-70.1-55.9000113.4F173 F177 Y237 G346 F347 I352 F353 S354F173-F350 HydrophobicContact CD2-CE1 4.32Å; F173-F350 HydrophobicContact CE2-CD1 4.37Å; F173-F350 AromaticContact CE2-CE1 3.5Å; F173-F350 HydrophobicContact CE2-CE1 3.5Å; F173-F350 VanDerWaalsContact CE2-CE1 3.5Å; F173-F350 AromaticContact CE2-CZ 3.7Å; F173-F350 HydrophobicContact CE2-CZ 3.7Å; F173-F350 HydrophobicContact CZ-CE1 4.41Å; F173-F350 HydrophobicContact CZ-CZ 4.27Å; F177-F350 AromaticContact CD1-CE1 3.92Å; F177-F350 HydrophobicContact CD1-CE1 3.92Å; F177-F350 AromaticContact CD1-CZ 3.59Å; F177-F350 HydrophobicContact CD1-CZ 3.59Å; F177-F350 AromaticContact CE1-CE1 3.75Å; F177-F350 HydrophobicContact CE1-CE1 3.75Å; F177-F350 AromaticContact CE1-CZ 3.84Å; F177-F350 HydrophobicContact CE1-CZ 3.84Å; F177-F350 HydrophobicContact CG-CZ 4.38Å; F177-F350 HydrophobicContact CZ-CE1 4.32Å; Y237-F350 HydrophobicContact CE2-CZ 4.44Å; G346-F350 WeakPolarHBondContact O-CD2 3.26Å; G346-F350 PolarHBondContact O-N 3.07Å; F347-F350 PolarHBondContact O-N 3.23Å; F350-I352 VanDerWaalsContact C-N 3.35Å; F350-F353 PolarHBondContact O-N 3.21Å; F350-S354 PolarHBondContact O-N 2.67Å
351A79.9Confident70Confident41 Ų4176.6 Ų76.634%0.33943%0.433SS..Hα-helixtrans-63.7-40175.100000112.2F347 F348 N355F347-A351 VanDerWaalsContact O-CB 3.32Å; F347-A351 WeakPolarHBondContact O-CB 3.46Å; F347-A351 PolarHBondContact O-N 2.96Å; F348-A351 PolarHBondContact O-N 3.01Å; A351-N355 PolarHBondContact O-ND2 2.89Å
352I75.8Confident67.8Low106 Ų10681.1 Ų81.154%0.54446%0.457SS..Hα-helixtrans-68.4-47.2173.9-66.8165.5000109.5F348 F350 S354 N355 V356F348-I352 WeakPolarHBondContact O-CB 3.42Å; F348-I352 WeakPolarHBondContact O-CD1 3.48Å; F348-I352 VanDerWaalsContact O-CG1 3.23Å; F348-I352 WeakPolarHBondContact O-CG1 3.26Å; F348-I352 PolarHBondContact O-N 3.35Å; F350-I352 VanDerWaalsContact C-N 3.35Å; I352-S354 VanDerWaalsContact C-N 3.31Å; I352-S354 PolarHBondContact O-N 2.94Å; I352-N355 PolarHBondContact O-N 2.95Å; I352-V356 HydrophobicContact CG2-CG2 4.08Å; I352-V356 WeakPolarHBondContact O-CG2 3.33Å; I352-V356 PolarHBondContact O-N 3.36Å
353F66.2Low65.7Low83 Ų8384.9 Ų84.936%0.36449%0.485SS..Hα-helixtrans-57.2-42-179-179-103.2000112.9V233 Y349 F350 N355 V356V233-F353 HydrophobicContact CB-CD2 4.49Å; V233-F353 HydrophobicContact CG1-CD2 3.9Å; Y349-F353 WeakPolarHBondContact O-CB 3.35Å; Y349-F353 PolarHBondContact O-N 2.62Å; F350-F353 PolarHBondContact O-N 3.21Å; F353-N355 PolarHBondContact O-N 3.21Å; F353-V356 PolarHBondContact O-N 3.09Å
354S64.1Low64.5Low99 Ų9987 Ų8769%0.69249%0.487SS*.Hα-helixtrans-64.3-24.7177.3-169.80000113.3F350 I352F350-S354 PolarHBondContact O-N 2.67Å; I352-S354 VanDerWaalsContact C-N 3.31Å; I352-S354 PolarHBondContact O-N 2.94Å
355N55.4Low63.1Low135 Ų13587.9 Ų87.972%0.72249%0.49SS*.Hα-helixtrans-95.6-15.4-178.3-80.2-55.9000113.7A351 I352 F353 N357A351-N355 PolarHBondContact O-ND2 2.89Å; I352-N355 PolarHBondContact O-N 2.95Å; F353-N355 PolarHBondContact O-N 3.21Å; N355-N357 PolarHBondContact O-N 3.13Å
356V55Low61.6Low77 Ų7790.1 Ų90.147%0.46751%0.505SS..  trans-77.180.2175.3-179.40000108.9I352 F353 M358I352-V356 HydrophobicContact CG2-CG2 4.08Å; I352-V356 WeakPolarHBondContact O-CG2 3.33Å; I352-V356 PolarHBondContact O-N 3.36Å; F353-V356 PolarHBondContact O-N 3.09Å; V356-M358 PolarHBondContact O-N 2.96Å
357N43.2Very low60.1Low122 Ų12294.7 Ų94.765%0.65253%0.529SS*.  trans-63.1118.3162.1-101.4-28.8000108.1N355 S359N355-N357 PolarHBondContact O-N 3.13Å; N357-S359 PolarHBondContact O-N 3.42Å; N357-S359 PolarHBondContact O-OG 3.47Å
358M44Very low58.4Low133 Ų13391.4 Ų91.466%0.65552%0.521SS*.  trans-66.764.6170.6-74.2168.875.100110.5V356 S360V356-M358 PolarHBondContact O-N 2.96Å; M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 2.93Å
359S33.8Very low56.5Low102 Ų10288.9 Ų88.971%0.71352%0.518SS*.THydrogen-bonded Turntrans-87.512.7-175.6560000114.1N357N357-S359 PolarHBondContact O-N 3.42Å; N357-S359 PolarHBondContact O-OG 3.47Å
360S32.7Very low54.5Low51 Ų5194.2 Ų94.236%0.35755%0.551SS.*THydrogen-bonded Turntrans-138.141.1176.487.50000114.4R230 M358 T362R230-S360 PolarHBondContact NE-OG 3.02Å; R230-S360 VanDerWaalsContact NH2-CB 3.3Å; R230-S360 PolarHBondContact NH2-OG 3.27Å; M358-S360 VanDerWaalsContact C-N 3.31Å; M358-S360 PolarHBondContact O-N 2.93Å; S360-T362 PolarHBondContact O-N 3.27Å; S360-T362 VanDerWaalsContact O-N 3.1Å
361T43.4Very low52.6Low78 Ų7896.2 Ų96.248%0.47957%0.571SS.*  trans-71.5100.3159.425.40000107.6
362T44.2Very low50.3Low128 Ų128100.8 Ų100.879%0.78559%0.59SS**  trans-72.1129.2166.948.40000108.3S360S360-T362 PolarHBondContact O-N 3.27Å; S360-T362 VanDerWaalsContact O-N 3.1Å
363C45.5Very low47.9Very low96 Ų96100.4 Ų100.465%0.64959%0.594SS**  trans-72.20149-47.70000108.8C162C162-C363 HydrophobicContact CB-CB 3.57Å; C162-C363 WeakPolarHBondContact CB-SG 3.45Å; C162-C363 WeakPolarHBondContact SG-CB 3.41Å; C162-C363 CovalentContact SG-SG 2.01Å; C162-C363 PolarHBondContact SG-SG 3.44Å

Retrieved 363 of 363 residues in 64.5 ms (Link to these results)

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