A0A077Z806_TRITR Loading...

Selenocysteine specific elongation factor

AlphaFold DB , UniProt , Accession A0A077Z806, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 551 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
1M33.6Very low49.7Very low238 Ų238137.8 Ų137.8100%1.17277%0.767SS**  096.80-77.8174.4170.200107.9V3M1-V3 PolarHBondContact O-N 3.33Å
2T34.5Very low52.8Low135 Ų135133.4 Ų133.483%0.82873%0.73SS**  trans-69.4112171.338.70000108R4T2-R4 PolarHBondContact O-N 2.92Å
3V32.2Very low55.4Low134 Ų134126.6 Ų126.681%0.81269%0.694SS**  trans-54.4103.1170179.60000106.8M1 D5M1-V3 PolarHBondContact O-N 3.33Å; V3-D5 PolarHBondContact O-N 3.18Å
4R36.8Very low57.9Low226 Ų226118 Ų11885%0.85365%0.647SS**  trans-69.4117165.8-77-178.3172.9-178.7-2105.3T2 A6T2-R4 PolarHBondContact O-N 2.92Å; R4-A6 VanDerWaalsContact C-N 3.31Å; R4-A6 PolarHBondContact O-N 3.34Å
5D35.8Very low60Low134 Ų134110.9 Ų110.972%0.71761%0.608SS**  trans-49.497.3167.7-100.4-32.5000109.1V3 T7V3-D5 PolarHBondContact O-N 3.18Å; D5-T7 PolarHBondContact O-N 2.96Å
6A42.4Very low61.9Low103 Ų103104 Ų10485%0.85157%0.57SS**THydrogen-bonded Turntrans-85.310.8-179.700000111.8R4R4-A6 VanDerWaalsContact C-N 3.31Å; R4-A6 PolarHBondContact O-N 3.34Å
7T45.5Very low63.5Low123 Ų12397.9 Ų97.976%0.75554%0.537SS*.THydrogen-bonded Turntrans-111.9-6.7-174520000113.7D5 R9D5-T7 PolarHBondContact O-N 2.96Å; T7-R9 PolarHBondContact O-N 3.38Å; T7-R9 VanDerWaalsContact O-N 3.17Å
8A57.4Low65Low81 Ų8192.4 Ų92.467%0.66951%0.507SS*.  trans-77.6105.317700000110.1
9R72.5Confident66.3Low151 Ų15187.6 Ų87.657%0.5748%0.48SS*.PPolyproline II helixtrans-51.3140.6169.568.1-175.6-179.2118.211.4109.7T7 V11 D83T7-R9 PolarHBondContact O-N 3.38Å; T7-R9 VanDerWaalsContact O-N 3.17Å; R9-V11 PolarHBondContact O-N 2.94Å; R9-D83 IonicContact CZ-OD1 2.91Å; R9-D83 IonicContact CZ-OD2 2.86Å; R9-D83 IonicContact NH1-OD1 2.84Å; R9-D83 IonicContact NH2-OD1 2.73Å; R9-D83 PolarHBondContact NH2-OD1 3.23Å; R9-D83 IonicContact NH2-OD2 2.54Å
10P73.8Confident67.5Low113 Ų11383.2 Ų83.273%0.73446%0.456SS*.PPolyproline II helixtrans-58.7134.2179.421.8-30.5000110.4R12P10-R12 PolarHBondContact O-N 3.07Å
11V82.2Confident68.5Low78 Ų7879.4 Ų79.447%0.47344%0.435SS..PPolyproline II helixtrans-58.2122.3177.8178.60000109R9 V13 D83 I84R9-V11 PolarHBondContact O-N 2.94Å; V11-V13 HydrophobicContact CG1-CG2 4.31Å; V11-D83 HydrophobicContact CG1-CB 4.13Å; V11-I84 HydrophobicContact CG1-CD1 4.01Å; V11-I84 HydrophobicContact CG1-CG1 3.93Å; V11-I84 HydrophobicContact CG1-CG2 4.46Å
12R86.9Confident71.1Confident85 Ų8568.1 Ų68.132%0.32138%0.38SS..PPolyproline II helixtrans-85.2123178.8-59.9171.4-58162.79.8108.7P10 I80 N81 D83 I84P10-R12 PolarHBondContact O-N 3.07Å; R12-I80 PolarHBondContact NH1-O 3.13Å; R12-I80 PolarHBondContact NH2-O 3.36Å; R12-N81 WeakPolarHBondContact CB-O 3.45Å; R12-N81 WeakPolarHBondContact CD-O 3.38Å; R12-N81 PolarHBondContact NE-O 2.63Å; R12-N81 VanDerWaalsContact NE-O 3.16Å; R12-N81 PolarHBondContact NH1-O 3.14Å; R12-D83 IonicContact CZ-OD1 2.65Å; R12-D83 PolarHBondContact N-OD2 3.26Å; R12-D83 IonicContact NE-OD1 3.08Å; R12-D83 PolarHBondContact NE-OD1 2.85Å; R12-D83 IonicContact NE-OD2 3.77Å; R12-D83 PolarHBondContact NE-OD2 3.32Å; R12-D83 IonicContact NH2-OD1 3.44Å; R12-D83 PolarHBondContact NH2-OD1 3.23Å; R12-D83 PolarHBondContact O-N 3.23Å; R12-I84 PolarHBondContact O-N 3.04Å
13V87.2Confident73.6Confident45 Ų4563.3 Ų63.327%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-113.7126.2-172.6-1760000109.8V11 I84 Q86V11-V13 HydrophobicContact CG1-CG2 4.31Å; V13-I84 HydrophobicContact CB-CG1 4.25Å; V13-I84 HydrophobicContact CG1-CD1 4.36Å; V13-I84 HydrophobicContact CG1-CG1 4.13Å; V13-I84 HydrophobicContact CG2-CD1 3.82Å; V13-I84 HydrophobicContact CG2-CG1 3.79Å; V13-Q86 HydrophobicContact CG1-CB 3.52Å
14L89.9Confident76Confident6 Ų658.5 Ų58.53%0.03132%0.319CS..EExtended strand (participates in β ladder)trans-87.9113.1164.917863.5000108.9L79 F82 I84 I85 Q86 V207L14-L79 HydrophobicContact CD2-CD2 3.65Å; L14-F82 HydrophobicContact CB-CB 4.19Å; L14-F82 HydrophobicContact CB-CD1 3.81Å; L14-F82 HydrophobicContact CB-CD2 4.09Å; L14-F82 HydrophobicContact CB-CE1 4.17Å; L14-F82 HydrophobicContact CB-CE2 4.44Å; L14-F82 HydrophobicContact CB-CG 3.76Å; L14-F82 HydrophobicContact CB-CZ 4.47Å; L14-F82 HydrophobicContact CD1-CE1 4.23Å; L14-F82 HydrophobicContact CD1-CE2 4.06Å; L14-F82 HydrophobicContact CD1-CZ 3.9Å; L14-I84 PolarHBondContact N-O 3.38Å; L14-I85 HydrophobicContact CB-CG1 4.36Å; L14-I85 HydrophobicContact CD2-CG1 4.24Å; L14-I85 WeakPolarHBondContact O-CA 3.49Å; L14-Q86 PolarHBondContact O-N 3.2Å; L14-V207 HydrophobicContact CD1-CG1 4.24Å; L14-V207 HydrophobicContact CD2-CG2 4.08Å
15N89.2Confident78.3Confident12 Ų1252.7 Ų52.76%0.06431%0.305CS..EExtended strand (participates in β ladder)trans-81.3125.5171.2-75.2-49.1000110.6Q86 R210 D278N15-Q86 PolarHBondContact OD1-NE2 3.01Å; N15-R210 VanDerWaalsContact O-CZ 3.28Å; N15-R210 PolarHBondContact O-NH1 2.77Å; N15-R210 PolarHBondContact O-NH2 3.1Å; N15-D278 PolarHBondContact ND2-OD1 3.28Å
16F90.9Very high80.9Confident0 Ų046.3 Ų46.30%027%0.271CS..EExtended strand (participates in β ladder)trans-129.9117.8-178.7-162.3-92.1000109.7V18 I85 Q86 V87 T88 D110 M111 F201 Y206 P208F16-V18 HydrophobicContact CD1-CG2 3.72Å; F16-V18 HydrophobicContact CE1-CG2 3.88Å; F16-I85 HydrophobicContact CB-CG2 4.1Å; F16-Q86 PolarHBondContact N-O 3.29Å; F16-V87 CarbonylContact O-C 3.53Å; F16-V87 VanDerWaalsContact O-CA 3.26Å; F16-V87 WeakPolarHBondContact O-CA 3.38Å; F16-T88 PolarHBondContact O-N 3.19Å; F16-D110 WeakPolarHBondContact CA-OD2 3.47Å; F16-D110 HydrophobicContact CD1-CB 4.35Å; F16-D110 HydrophobicContact CD2-CB 4.05Å; F16-D110 HydrophobicContact CE1-CB 3.99Å; F16-D110 HydrophobicContact CE2-CB 3.65Å; F16-D110 HydrophobicContact CG-CB 4.38Å; F16-D110 HydrophobicContact CZ-CB 3.61Å; F16-M111 HydrophobicContact CE1-CB 3.65Å; F16-M111 HydrophobicContact CE1-CE 4.25Å; F16-M111 HydrophobicContact CZ-CB 3.99Å; F16-M111 HydrophobicContact CZ-CE 4.15Å; F16-F201 HydrophobicContact CD1-CZ 4.43Å; F16-F201 HydrophobicContact CE1-CE2 4.32Å; F16-Y206 HydrophobicContact CE2-CD1 4.29Å; F16-Y206 HydrophobicContact CE2-CE1 4.11Å; F16-Y206 WeakPolarHBondContact CE2-O 3.25Å; F16-Y206 HydrophobicContact CZ-CD1 4.21Å; F16-Y206 AromaticContact CZ-CE1 3.83Å; F16-Y206 HydrophobicContact CZ-CE1 3.83Å; F16-P208 HydrophobicContact CD2-CG 3.73Å; F16-P208 HydrophobicContact CE2-CG 3.75Å
17N89.2Confident83.1Confident0 Ų042.2 Ų42.20%024%0.239CC..EExtended strand (participates in β ladder)trans-101.3128.6-173.9-60.7-51.6000110.5T88 I108 D110 M111 G277N17-T88 CarbonylContact C-O 3.55Å; N17-T88 WeakPolarHBondContact CA-O 3.38Å; N17-T88 VanDerWaalsContact OD1-CB 3.26Å; N17-T88 WeakPolarHBondContact OD1-CB 3.37Å; N17-T88 PolarHBondContact OD1-OG1 3.13Å; N17-I108 WeakPolarHBondContact CB-O 3.45Å; N17-I108 PolarHBondContact ND2-O 2.98Å; N17-I108 VanDerWaalsContact ND2-O 3.15Å; N17-D110 PolarHBondContact N-OD2 3.47Å; N17-D110 PolarHBondContact O-N 3.33Å; N17-M111 PolarHBondContact O-N 3.3Å; N17-G277 PolarHBondContact ND2-O 3.12Å
18V90.8Very high85.1Confident0 Ų036.9 Ų36.90%021%0.205CC..EExtended strand (participates in β ladder)trans-122.2121.6-177.3-1760000110.7F16 V87 T88 L89 V90 M111 F113 F201F16-V18 HydrophobicContact CD1-CG2 3.72Å; F16-V18 HydrophobicContact CE1-CG2 3.88Å; V18-V87 HydrophobicContact CB-CG1 4.43Å; V18-V87 HydrophobicContact CG2-CG1 3.67Å; V18-T88 PolarHBondContact N-O 2.9Å; V18-L89 HydrophobicContact CB-CD2 3.97Å; V18-L89 HydrophobicContact CG1-CD2 4.37Å; V18-V90 PolarHBondContact O-N 2.9Å; V18-M111 CarbonylContact C-O 3.59Å; V18-M111 VanDerWaalsContact CA-O 3.25Å; V18-M111 WeakPolarHBondContact CA-O 3.3Å; V18-M111 HydrophobicContact CG1-CB 4.48Å; V18-M111 WeakPolarHBondContact CG1-O 3.46Å; V18-M111 HydrophobicContact CG2-CB 4.29Å; V18-F113 HydrophobicContact CB-CE2 4.38Å; V18-F113 HydrophobicContact CB-CZ 4.49Å; V18-F113 HydrophobicContact CG1-CB 4.33Å; V18-F113 HydrophobicContact CG1-CD1 3.62Å; V18-F113 HydrophobicContact CG1-CD2 3.45Å; V18-F113 VanDerWaalsContact CG1-CD2 3.45Å; V18-F113 HydrophobicContact CG1-CE1 3.67Å; V18-F113 HydrophobicContact CG1-CE2 3.56Å; V18-F113 HydrophobicContact CG1-CG 3.53Å; V18-F113 HydrophobicContact CG1-CZ 3.67Å; V18-F113 HydrophobicContact CG2-CZ 4.34Å; V18-F201 HydrophobicContact CG2-CE2 4.31Å; V18-F201 HydrophobicContact CG2-CZ 4.36Å
19G88.7Confident86.4Confident0 Ų033.8 Ų33.80%018%0.178CC..EExtended strand (participates in β ladder)trans-84126.1174.400000111.4M111 V112 F113G19-M111 PolarHBondContact N-O 3.32Å; G19-V112 CarbonylContact O-C 3.52Å; G19-V112 WeakPolarHBondContact O-CA 3.49Å; G19-F113 PolarHBondContact O-N 3.17Å
20I89.7Confident87.1Confident0 Ų028.1 Ų28.10%016%0.163CC..EExtended strand (participates in β ladder)trans-96.3112173.8-54.5177.1000108.3K28 F31 A32 L89 V90 C92 F113 V115I20-K28 HydrophobicContact CG2-CB 3.81Å; I20-K28 HydrophobicContact CG2-CD 4.43Å; I20-K28 HydrophobicContact CG2-CG 4Å; I20-F31 HydrophobicContact CD1-CD1 4.25Å; I20-F31 HydrophobicContact CD1-CE1 4.4Å; I20-F31 HydrophobicContact CG2-CD1 4.22Å; I20-A32 HydrophobicContact CD1-CB 3.55Å; I20-L89 HydrophobicContact CD1-CB 4.04Å; I20-L89 HydrophobicContact CD1-CD1 4.19Å; I20-L89 HydrophobicContact CD1-CD2 4.23Å; I20-L89 HydrophobicContact CD1-CG 4.39Å; I20-V90 PolarHBondContact N-O 3.14Å; I20-C92 VanDerWaalsContact O-CB 3.31Å; I20-C92 WeakPolarHBondContact O-CB 3.35Å; I20-C92 PolarHBondContact O-N 2.89Å; I20-C92 VanDerWaalsContact O-N 3.11Å; I20-F113 WeakPolarHBondContact CA-O 3.43Å; I20-F113 HydrophobicContact CG1-CB 4.44Å; I20-F113 HydrophobicContact CG1-CD2 4.35Å; I20-V115 HydrophobicContact CG2-CG2 3.78Å
21L89Confident87.9Confident3 Ų322.7 Ų22.72%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-115160.9-179-57.8-172.3000110.9C92 V102 V112 F113 L114 V115 C129 M136L21-C92 HydrophobicContact CD2-CB 3.48Å; L21-C92 VanDerWaalsContact CD2-CB 3.48Å; L21-V102 HydrophobicContact CD2-CG1 4.11Å; L21-V112 HydrophobicContact CB-CG1 4.22Å; L21-V112 HydrophobicContact CD1-CG1 3.72Å; L21-V112 HydrophobicContact CD1-CG2 4.31Å; L21-V112 HydrophobicContact CG-CG1 3.85Å; L21-F113 PolarHBondContact N-O 3.22Å; L21-L114 HydrophobicContact CB-CD1 4.19Å; L21-V115 PolarHBondContact O-N 2.8Å; L21-C129 HydrophobicContact CB-CB 3.9Å; L21-C129 HydrophobicContact CD1-CB 4.18Å; L21-M136 HydrophobicContact CD1-SD 4.47Å
22G88.6Confident88.2Confident1 Ų119 Ų191%0.0111%0.106CC..EExtended strand (participates in β ladder)trans149.8164.2179.700000113.5K28 G94 V115G22-K28 PolarHBondContact O-NZ 2.88Å; G22-G94 WeakPolarHBondContact O-CA 3.48Å; G22-V115 WeakPolarHBondContact CA-O 3.38Å
23H86.4Confident88.1Confident34 Ų3419.9 Ų19.916%0.15711%0.112CC..  trans-59.2159.2178.9-166.264.6000112.5D25 S26 K28 Q123 Q125H23-D25 PolarHBondContact O-N 2.97Å; H23-S26 WeakPolarHBondContact O-CB 3.41Å; H23-S26 PolarHBondContact O-N 3.23Å; H23-S26 PolarHBondContact O-OG 3.35Å; H23-K28 PolarHBondContact O-NZ 3.24Å; H23-Q123 HydrophobicContact CB-CB 4.29Å; H23-Q123 PolarHBondContact CD2-NE2 2.84Å; H23-Q123 PolarHBondContact CD2-OE1 2.83Å; H23-Q123 PolarHBondContact NE2-NE2 3.02Å; H23-Q123 VanDerWaalsContact NE2-NE2 3.16Å; H23-Q125 HydrophobicContact CB-CB 4.49Å; H23-Q125 VanDerWaalsContact CE1-CD 3.5Å; H23-Q125 PolarHBondContact CE1-OE1 2.62Å; H23-Q125 WeakPolarHBondContact ND1-CB 3.42Å; H23-Q125 WeakPolarHBondContact ND1-CG 3.41Å; H23-Q125 PolarHBondContact ND1-OE1 3.46Å
24V82.1Confident88Confident34 Ų3419.3 Ų19.321%0.20611%0.112CC..THydrogen-bonded Turntrans-53.1138.8165.5175.60000109.1S26 I55V24-S26 PolarHBondContact O-N 3.42Å; V24-S26 VanDerWaalsContact O-N 3.08Å; V24-I55 HydrophobicContact CG1-CG2 4.23Å
25D85.2Confident87.8Confident103 Ų10319.5 Ų19.555%0.55111%0.113SC*.THydrogen-bonded Turntrans59.515.2-178-51.4-28.4000116.8H23 G27 K147H23-D25 PolarHBondContact O-N 2.97Å; D25-G27 PolarHBondContact O-N 2.79Å; D25-K147 VanDerWaalsContact O-CE 3.29Å; D25-K147 WeakPolarHBondContact O-CE 3.31Å; D25-K147 PolarHBondContact O-NZ 3.27Å
26S90.2Very high87.3Confident0 Ų020 Ų200%012%0.117CC..SBendtrans-72-13170.171.20000113.1H23 V24 V115 N146H23-S26 WeakPolarHBondContact O-CB 3.41Å; H23-S26 PolarHBondContact O-N 3.23Å; H23-S26 PolarHBondContact O-OG 3.35Å; V24-S26 PolarHBondContact O-N 3.42Å; V24-S26 VanDerWaalsContact O-N 3.08Å; S26-V115 WeakPolarHBondContact CB-O 3.4Å; S26-V115 WeakPolarHBondContact O-CG1 3.45Å; S26-V115 PolarHBondContact OG-O 3.15Å; S26-V115 VanDerWaalsContact OG-O 3.08Å; S26-N146 PolarHBondContact O-ND2 3.39Å
27G88.8Confident86.1Confident18 Ų1828.3 Ų28.319%0.18615%0.153CC..  trans9621.7178.300000115.2D25 T29 A30 F31D25-G27 PolarHBondContact O-N 2.79Å; G27-T29 PolarHBondContact O-N 3.41Å; G27-A30 PolarHBondContact O-N 2.97Å; G27-F31 VanDerWaalsContact O-CB 3.29Å; G27-F31 WeakPolarHBondContact O-CB 3.29Å; G27-F31 PolarHBondContact O-N 3.33Å
28K88.6Confident84.4Confident10 Ų1031.4 Ų31.44%0.04317%0.172CC..Hα-helixtrans-48.4-55.9178.1-63.8-176.6-64.7-66.60114.2I20 G22 H23 A30 F31 A32 C92 V115I20-K28 HydrophobicContact CG2-CB 3.81Å; I20-K28 HydrophobicContact CG2-CD 4.43Å; I20-K28 HydrophobicContact CG2-CG 4Å; G22-K28 PolarHBondContact O-NZ 2.88Å; H23-K28 PolarHBondContact O-NZ 3.24Å; K28-A30 PolarHBondContact O-N 3.37Å; K28-F31 WeakPolarHBondContact O-CB 3.49Å; K28-F31 PolarHBondContact O-N 3.3Å; K28-A32 PolarHBondContact O-N 3.3Å; K28-C92 WeakPolarHBondContact CE-O 3.49Å; K28-V115 HydrophobicContact CG-CB 4.17Å; K28-V115 HydrophobicContact CG-CG2 4.26Å
29T84.3Confident82.5Confident17 Ų1734 Ų3410%0.10419%0.194CC..Hα-helixtrans-67.8-36.1-178.3-49.40000112G27 F31 A32 K33 F44 T56 D91G27-T29 PolarHBondContact O-N 3.41Å; T29-F31 VanDerWaalsContact C-N 3.35Å; T29-A32 PolarHBondContact O-N 3.05Å; T29-K33 WeakPolarHBondContact O-CG 3.26Å; T29-K33 PolarHBondContact O-N 2.75Å; T29-F44 HydrophobicContact CG2-CD1 4.16Å; T29-T56 PolarHBondContact OG1-OG1 3.17Å; T29-D91 WeakPolarHBondContact CA-OD2 3.46Å; T29-D91 WeakPolarHBondContact CB-OD2 3.43Å; T29-D91 PolarHBondContact OG1-OD2 3.07Å
30A88Confident80.7Confident31 Ų3135.4 Ų35.426%0.25621%0.208SC..Hα-helixtrans-65.8-40174.400000111.5G27 K28 K33 A34 V186 V187G27-A30 PolarHBondContact O-N 2.97Å; K28-A30 PolarHBondContact O-N 3.37Å; A30-K33 WeakPolarHBondContact O-CB 3.26Å; A30-K33 PolarHBondContact O-N 3.07Å; A30-A34 WeakPolarHBondContact O-CB 3.49Å; A30-A34 PolarHBondContact O-N 2.82Å; A30-V186 HydrophobicContact CB-CG2 3.88Å; A30-V187 HydrophobicContact CB-CG2 3.99Å
31F90Very high78.6Confident0 Ų038 Ų380%022%0.224CC..Hα-helixtrans-64.5-47.4173.6169.5-108.4000111.8I20 G27 K28 T29 K33 A34 I35 F113 V115 V144 M184 V186 F197I20-F31 HydrophobicContact CD1-CD1 4.25Å; I20-F31 HydrophobicContact CD1-CE1 4.4Å; I20-F31 HydrophobicContact CG2-CD1 4.22Å; G27-F31 VanDerWaalsContact O-CB 3.29Å; G27-F31 WeakPolarHBondContact O-CB 3.29Å; G27-F31 PolarHBondContact O-N 3.33Å; K28-F31 WeakPolarHBondContact O-CB 3.49Å; K28-F31 PolarHBondContact O-N 3.3Å; T29-F31 VanDerWaalsContact C-N 3.35Å; F31-K33 VanDerWaalsContact C-N 3.28Å; F31-K33 PolarHBondContact O-N 3.14Å; F31-A34 PolarHBondContact O-N 2.78Å; F31-A34 VanDerWaalsContact O-N 3.08Å; F31-I35 HydrophobicContact CD2-CG2 4.17Å; F31-I35 HydrophobicContact CE1-CD1 3.84Å; F31-I35 HydrophobicContact CE2-CD1 4.22Å; F31-I35 HydrophobicContact CE2-CG2 3.73Å; F31-I35 HydrophobicContact CZ-CD1 3.66Å; F31-I35 HydrophobicContact CZ-CG2 4.24Å; F31-I35 WeakPolarHBondContact O-CG1 3.5Å; F31-I35 PolarHBondContact O-N 3.07Å; F31-I35 VanDerWaalsContact O-N 3.13Å; F31-F113 HydrophobicContact CE1-CB 4.17Å; F31-F113 AromaticContact CE1-CD2 3.64Å; F31-F113 HydrophobicContact CE1-CD2 3.64Å; F31-F113 HydrophobicContact CE1-CE2 4.4Å; F31-F113 HydrophobicContact CE1-CG 4.26Å; F31-F113 AromaticContact CZ-CD2 3.96Å; F31-F113 HydrophobicContact CZ-CD2 3.96Å; F31-F113 HydrophobicContact CZ-CE2 4.38Å; F31-V115 HydrophobicContact CD1-CG2 3.8Å; F31-V115 HydrophobicContact CE1-CG2 4.34Å; F31-V115 HydrophobicContact CG-CG2 4.3Å; F31-V144 HydrophobicContact CD2-CG1 4.16Å; F31-V144 HydrophobicContact CD2-CG2 4.48Å; F31-V144 HydrophobicContact CE1-CG2 4.13Å; F31-V144 HydrophobicContact CE2-CG1 4.17Å; F31-V144 HydrophobicContact CE2-CG2 3.83Å; F31-V144 HydrophobicContact CZ-CG2 3.63Å; F31-M184 HydrophobicContact CD2-CE 4.32Å; F31-M184 HydrophobicContact CD2-SD 3.87Å; F31-M184 HydrophobicContact CE2-CE 4.37Å; F31-M184 HydrophobicContact CE2-SD 3.74Å; F31-V186 HydrophobicContact CB-CG1 3.94Å; F31-V186 HydrophobicContact CB-CG2 4.46Å; F31-V186 HydrophobicContact CD2-CG1 3.84Å; F31-V186 HydrophobicContact CG-CG1 4.4Å; F31-F197 HydrophobicContact CE2-CD1 4.27Å; F31-F197 HydrophobicContact CE2-CD2 4.45Å; F31-F197 HydrophobicContact CE2-CE1 4.14Å; F31-F197 HydrophobicContact CE2-CE2 4.32Å; F31-F197 HydrophobicContact CE2-CG 4.44Å; F31-F197 HydrophobicContact CE2-CZ 4.18Å; F31-F197 HydrophobicContact CZ-CD1 4.3Å; F31-F197 HydrophobicContact CZ-CD2 4.48Å; F31-F197 AromaticContact CZ-CE1 3.71Å; F31-F197 HydrophobicContact CZ-CE1 3.71Å; F31-F197 AromaticContact CZ-CE2 3.91Å; F31-F197 HydrophobicContact CZ-CE2 3.91Å; F31-F197 AromaticContact CZ-CZ 3.51Å; F31-F197 HydrophobicContact CZ-CZ 3.51Å
32A88Confident76.7Confident1 Ų138.7 Ų38.71%0.00823%0.23CC..Hα-helixtrans-54.9-44.7174.300000111.4I20 K28 T29 S36I20-A32 HydrophobicContact CD1-CB 3.55Å; K28-A32 PolarHBondContact O-N 3.3Å; T29-A32 PolarHBondContact O-N 3.05Å; A32-S36 VanDerWaalsContact O-CB 3.24Å; A32-S36 WeakPolarHBondContact O-CB 3.42Å; A32-S36 PolarHBondContact O-N 3.25Å; A32-S36 VanDerWaalsContact O-N 3.12Å; A32-S36 PolarHBondContact O-OG 2.99Å
33K84.8Confident74.8Confident103 Ų10339 Ų3945%0.44823%0.233SC..Hα-helixtrans-58.3-49173.6-78.3174.6-179.6176.20112.2T29 A30 F31 I35 S36 F44T29-K33 WeakPolarHBondContact O-CG 3.26Å; T29-K33 PolarHBondContact O-N 2.75Å; A30-K33 WeakPolarHBondContact O-CB 3.26Å; A30-K33 PolarHBondContact O-N 3.07Å; F31-K33 VanDerWaalsContact C-N 3.28Å; F31-K33 PolarHBondContact O-N 3.14Å; K33-I35 VanDerWaalsContact C-N 3.31Å; K33-I35 PolarHBondContact O-N 2.98Å; K33-S36 PolarHBondContact O-N 3.44Å; K33-F44 HydrophobicContact CB-CE1 4.07Å; K33-F44 HydrophobicContact CB-CZ 4.44Å; K33-F44 HydrophobicContact CD-CD1 3.79Å; K33-F44 HydrophobicContact CD-CE1 4.13Å; K33-F44 HydrophobicContact CD-CG 4.18Å; K33-F44 HydrophobicContact CG-CD1 3.22Å; K33-F44 HydrophobicContact CG-CD2 4.4Å; K33-F44 HydrophobicContact CG-CE1 3.06Å; K33-F44 HydrophobicContact CG-CE2 4.21Å; K33-F44 HydrophobicContact CG-CG 3.95Å; K33-F44 HydrophobicContact CG-CZ 3.59Å
34A85.5Confident73.3Confident33 Ų3340.4 Ų40.427%0.27324%0.239SC..Hα-helixtrans-62.9-35.7-173.900000113.1A30 F31 V186 I194A30-A34 WeakPolarHBondContact O-CB 3.49Å; A30-A34 PolarHBondContact O-N 2.82Å; F31-A34 PolarHBondContact O-N 2.78Å; F31-A34 VanDerWaalsContact O-N 3.08Å; A34-V186 HydrophobicContact CB-CB 4.2Å; A34-V186 HydrophobicContact CB-CG1 4.1Å; A34-I194 HydrophobicContact CB-CD1 4.14Å
35I86.1Confident71.9Confident10 Ų1040.4 Ų40.45%0.05124%0.237CC..Hα-helixtrans-93.7-12.5-178.768.6173.1000113.8F31 K33 F64 L89 F113 I194 F197F31-I35 HydrophobicContact CD2-CG2 4.17Å; F31-I35 HydrophobicContact CE1-CD1 3.84Å; F31-I35 HydrophobicContact CE2-CD1 4.22Å; F31-I35 HydrophobicContact CE2-CG2 3.73Å; F31-I35 HydrophobicContact CZ-CD1 3.66Å; F31-I35 HydrophobicContact CZ-CG2 4.24Å; F31-I35 WeakPolarHBondContact O-CG1 3.5Å; F31-I35 PolarHBondContact O-N 3.07Å; F31-I35 VanDerWaalsContact O-N 3.13Å; K33-I35 VanDerWaalsContact C-N 3.31Å; K33-I35 PolarHBondContact O-N 2.98Å; I35-F64 HydrophobicContact CD1-CE1 4Å; I35-F64 HydrophobicContact CG1-CE1 4.25Å; I35-F64 WeakPolarHBondContact O-CD1 3.26Å; I35-L89 HydrophobicContact CD1-CD1 3.55Å; I35-L89 HydrophobicContact CD1-CD2 4.12Å; I35-L89 HydrophobicContact CD1-CG 4.48Å; I35-L89 HydrophobicContact CG1-CD1 3.62Å; I35-F113 HydrophobicContact CD1-CD2 4.46Å; I35-F113 HydrophobicContact CD1-CE2 4.05Å; I35-I194 HydrophobicContact CG2-CG2 4.38Å; I35-F197 HydrophobicContact CD1-CE1 4.3Å; I35-F197 HydrophobicContact CG2-CD1 4.28Å
36S79Confident70.2Confident22 Ų2242.2 Ų42.215%0.15424%0.24CC..  trans-82.3132.1-178.4-63.20000111.4A32 K33 S62A32-S36 VanDerWaalsContact O-CB 3.24Å; A32-S36 WeakPolarHBondContact O-CB 3.42Å; A32-S36 PolarHBondContact O-N 3.25Å; A32-S36 VanDerWaalsContact O-N 3.12Å; A32-S36 PolarHBondContact O-OG 2.99Å; K33-S36 PolarHBondContact O-N 3.44Å; S36-S62 VanDerWaalsContact OG-CB 3.23Å; S36-S62 WeakPolarHBondContact OG-CB 3.43Å; S36-S62 PolarHBondContact OG-OG 3.31Å
37K65.9Low68.4Low174 Ų17447.6 Ų47.676%0.75727%0.265SS*.SBendtrans-90.9-23.5169.2-67.9-177179.9176.90112.4C63 F64K37-C63 PolarHBondContact N-O 3.42Å; K37-F64 HydrophobicContact CB-CB 4.29Å; K37-F64 HydrophobicContact CG-CB 4.37Å
38V52.8Low66.5Low65 Ų6550.9 Ų50.939%0.39428%0.283SS..EExtended strand (participates in β ladder)trans-133.7126.5-179.1-178.80000109.5C63V38-C63 PolarHBondContact N-O 3.17Å; V38-C63 VanDerWaalsContact N-O 3.14Å; V38-C63 PolarHBondContact O-N 3.16Å; V38-C63 VanDerWaalsContact O-N 3.11Å; V38-C63 VanDerWaalsContact O-O 3.05Å
39A49.9Very low64.7Low56 Ų5654.7 Ų54.746%0.46330%0.301SS..EExtended strand (participates in β ladder)trans-83.5123.317600000110.4A43 F44A39-A43 HydrophobicContact CB-CB 4.03Å; A39-F44 HydrophobicContact CB-CD2 4.5Å; A39-F44 HydrophobicContact CB-CE2 3.58Å; A39-F44 HydrophobicContact CB-CZ 4.19Å
40G51.1Low63.2Low29 Ų2954 Ų5430%0.29930%0.297SS..  trans-86.2-170.1176.600000114.1A42 A43 F61G40-A42 PolarHBondContact O-N 2.96Å; G40-A43 WeakPolarHBondContact O-CB 3.33Å; G40-A43 PolarHBondContact O-N 3.32Å; G40-F61 CarbonylContact C-O 3.44Å; G40-F61 WeakPolarHBondContact CA-O 3.45Å; G40-F61 PolarHBondContact N-O 3.35Å
41T45.7Very low61.6Low55 Ų5560.5 Ų60.534%0.33732%0.315SS..THydrogen-bonded Turntrans-62.4125176.6-17.90000110.4A43T41-A43 PolarHBondContact O-N 3.26Å
42A50.2Low59.8Low17 Ų1771.4 Ų71.414%0.1436%0.356CS..THydrogen-bonded Turntrans59.721.5-177.500000115.8G40 F44 K46G40-A42 PolarHBondContact O-N 2.96Å; A42-F44 PolarHBondContact O-N 2.94Å; A42-K46 HydrophobicContact CB-CB 4.28Å; A42-K46 HydrophobicContact CB-CD 4.48Å
43A48.8Very low57.7Low7 Ų778.8 Ų78.86%0.05838%0.384CS..  trans-47.3-30.7-173.100000115.1A39 G40 T41 F61A39-A43 HydrophobicContact CB-CB 4.03Å; G40-A43 WeakPolarHBondContact O-CB 3.33Å; G40-A43 PolarHBondContact O-N 3.32Å; T41-A43 PolarHBondContact O-N 3.26Å; A43-F61 WeakPolarHBondContact CA-O 3.33Å; A43-F61 VanDerWaalsContact CB-O 3.25Å; A43-F61 WeakPolarHBondContact CB-O 3.38Å
44F53.7Low56.3Low64 Ų6476.3 Ų76.328%0.28139%0.388SS..SBendtrans-143.8101.5-174.6-45-59.4000111.7T29 K33 A39 A42 K46T29-F44 HydrophobicContact CG2-CD1 4.16Å; K33-F44 HydrophobicContact CB-CE1 4.07Å; K33-F44 HydrophobicContact CB-CZ 4.44Å; K33-F44 HydrophobicContact CD-CD1 3.79Å; K33-F44 HydrophobicContact CD-CE1 4.13Å; K33-F44 HydrophobicContact CD-CG 4.18Å; K33-F44 HydrophobicContact CG-CD1 3.22Å; K33-F44 HydrophobicContact CG-CD2 4.4Å; K33-F44 HydrophobicContact CG-CE1 3.06Å; K33-F44 HydrophobicContact CG-CE2 4.21Å; K33-F44 HydrophobicContact CG-CG 3.95Å; K33-F44 HydrophobicContact CG-CZ 3.59Å; A39-F44 HydrophobicContact CB-CD2 4.5Å; A39-F44 HydrophobicContact CB-CE2 3.58Å; A39-F44 HydrophobicContact CB-CZ 4.19Å; A42-F44 PolarHBondContact O-N 2.94Å; F44-K46 VanDerWaalsContact C-N 3.28Å; F44-K46 PolarHBondContact O-N 3.37Å
45D53.7Low54.7Low34 Ų3477.3 Ų77.318%0.18239%0.388CS..  trans39.447.8169-59.9-42.8000115.5H47 R51D45-H47 PolarHBondContact O-N 3.07Å; D45-R51 HydrophobicContact CB-CG 4.09Å; D45-R51 WeakPolarHBondContact O-CG 3.35Å; D45-R51 PolarHBondContact O-NE 3.31Å
46K49Very low53Low141 Ų14177.8 Ų77.861%0.61339%0.391SS*.  trans-62.7-33-175.3-132-174-171.8-178.40112A42 F44 R51A42-K46 HydrophobicContact CB-CB 4.28Å; A42-K46 HydrophobicContact CB-CD 4.48Å; F44-K46 VanDerWaalsContact C-N 3.28Å; F44-K46 PolarHBondContact O-N 3.37Å; K46-R51 PolarHBondContact O-NH2 3.22Å
47H52.7Low51.7Low112 Ų11279.1 Ų79.152%0.51940%0.396SS..SBendtrans-65.8131.3179.2-124.8-86.7000111.1D45 E49 S50 R51D45-H47 PolarHBondContact O-N 3.07Å; H47-E49 PolarHBondContact O-N 3.47Å; H47-E49 VanDerWaalsContact O-N 3.14Å; H47-S50 WeakPolarHBondContact CB-OG 3.47Å; H47-S50 WeakPolarHBondContact O-CB 3.21Å; H47-S50 PolarHBondContact O-N 2.82Å; H47-S50 VanDerWaalsContact O-N 3.07Å; H47-R51 PolarHBondContact O-N 3.33Å
48P48.1Very low51.3Low88 Ų8873 Ų7357%0.57137%0.372SS*.Hα-helixtrans-55.5-33.7179.5-22.930.6000112.8R52P48-R52 WeakPolarHBondContact O-CB 3.4Å; P48-R52 WeakPolarHBondContact O-CG 3.46Å; P48-R52 PolarHBondContact O-N 2.94Å
49E51Low51.9Low90 Ų9070 Ų7042%0.42135%0.353SS..Hα-helixtrans-72.3-39.1179.1-157.4176-178.400112.4H47 R52 R53 I57H47-E49 PolarHBondContact O-N 3.47Å; H47-E49 VanDerWaalsContact O-N 3.14Å; E49-R52 PolarHBondContact O-N 3.33Å; E49-R53 WeakPolarHBondContact O-CB 3.45Å; E49-R53 WeakPolarHBondContact O-CG 3.31Å; E49-R53 PolarHBondContact O-N 2.79Å; E49-R53 IonicContact OE1-CZ 3.17Å; E49-R53 IonicContact OE1-NE 3.94Å; E49-R53 IonicContact OE1-NH1 3.41Å; E49-R53 PolarHBondContact OE1-NH1 3.35Å; E49-R53 IonicContact OE1-NH2 2.75Å; E49-R53 PolarHBondContact OE1-NH2 2.92Å; E49-I57 HydrophobicContact CB-CD1 4.02Å; E49-I57 HydrophobicContact CG-CD1 4.12Å
50S52.8Low52.7Low3 Ų367.6 Ų67.62%0.02133%0.334CS..Hα-helixtrans-61.9-45.3172.8-52.30000110.9H47 R53 G54 I55 I57H47-S50 WeakPolarHBondContact CB-OG 3.47Å; H47-S50 WeakPolarHBondContact O-CB 3.21Å; H47-S50 PolarHBondContact O-N 2.82Å; H47-S50 VanDerWaalsContact O-N 3.07Å; S50-R53 PolarHBondContact O-N 2.8Å; S50-G54 WeakPolarHBondContact O-CA 3.47Å; S50-G54 PolarHBondContact O-N 2.88Å; S50-I55 WeakPolarHBondContact CA-O 3.46Å; S50-I55 VanDerWaalsContact CB-O 3.26Å; S50-I55 WeakPolarHBondContact CB-O 3.29Å; S50-I55 PolarHBondContact O-N 3.11Å; S50-I57 WeakPolarHBondContact OG-CB 3.33Å; S50-I57 WeakPolarHBondContact OG-CD1 3.47Å; S50-I57 WeakPolarHBondContact OG-CG1 3.34Å
51R55Low53.7Low167 Ų16766.3 Ų66.363%0.6332%0.32SS*.Hα-helixtrans-63-41.4176.7-104.6-178.6-75.7172.40.2112.8D45 K46 H47D45-R51 HydrophobicContact CB-CG 4.09Å; D45-R51 WeakPolarHBondContact O-CG 3.35Å; D45-R51 PolarHBondContact O-NE 3.31Å; K46-R51 PolarHBondContact O-NH2 3.22Å; H47-R51 PolarHBondContact O-N 3.33Å
52R51.7Low55.3Low229 Ų22963.9 Ų63.986%0.86431%0.305SS*.Hα-helixtrans-66.5-39.6176.6-85.5-175176179.8-0.5112.9P48 E49P48-R52 WeakPolarHBondContact O-CB 3.4Å; P48-R52 WeakPolarHBondContact O-CG 3.46Å; P48-R52 PolarHBondContact O-N 2.94Å; E49-R52 PolarHBondContact O-N 3.33Å
53R45.2Very low57Low155 Ų15563.3 Ų63.359%0.58530%0.3SS*.Hα-helixtrans-88.7-10.6-176.4-69.1-170.4179.6156.513.7113.8E49 S50 I55E49-R53 WeakPolarHBondContact O-CB 3.45Å; E49-R53 WeakPolarHBondContact O-CG 3.31Å; E49-R53 PolarHBondContact O-N 2.79Å; E49-R53 IonicContact OE1-CZ 3.17Å; E49-R53 IonicContact OE1-NE 3.94Å; E49-R53 IonicContact OE1-NH1 3.41Å; E49-R53 PolarHBondContact OE1-NH1 3.35Å; E49-R53 IonicContact OE1-NH2 2.75Å; E49-R53 PolarHBondContact OE1-NH2 2.92Å; S50-R53 PolarHBondContact O-N 2.8Å; R53-I55 HydrophobicContact CB-CD1 3.97Å; R53-I55 HydrophobicContact CB-CG1 3.68Å; R53-I55 PolarHBondContact O-N 3.23Å
54G54.8Low58.8Low51 Ų5163.2 Ų63.253%0.52630%0.298SS..THydrogen-bonded Turntrans64.421.9-175.300000113.5S50S50-G54 WeakPolarHBondContact O-CA 3.47Å; S50-G54 PolarHBondContact O-N 2.88Å
55I50.7Low60.4Low55 Ų5563.1 Ų63.128%0.28230%0.304SS..SBendtrans-125.9138.9-177.664.2-177.8000110.9V24 S50 R53 I57V24-I55 HydrophobicContact CG1-CG2 4.23Å; S50-I55 WeakPolarHBondContact CA-O 3.46Å; S50-I55 VanDerWaalsContact CB-O 3.26Å; S50-I55 WeakPolarHBondContact CB-O 3.29Å; S50-I55 PolarHBondContact O-N 3.11Å; R53-I55 HydrophobicContact CB-CD1 3.97Å; R53-I55 HydrophobicContact CB-CG1 3.68Å; R53-I55 PolarHBondContact O-N 3.23Å; I55-I57 HydrophobicContact CG1-CG1 4.13Å; I55-I57 PolarHBondContact O-N 2.7Å
56T51.6Low62.1Low20 Ų2062.2 Ų62.212%0.12330%0.299CS..  trans-68.8110.9172.4-35.60000109.6T29 D58 P93T29-T56 PolarHBondContact OG1-OG1 3.17Å; T56-D58 VanDerWaalsContact CG2-O 3.26Å; T56-D58 WeakPolarHBondContact CG2-O 3.48Å; T56-P93 WeakPolarHBondContact O-CB 3.27Å
57I52.1Low64Low50 Ų5059.9 Ų59.926%0.25630%0.297SS..  trans-94.6-30.8179.3-56.7177000111.6E49 S50 I55E49-I57 HydrophobicContact CB-CD1 4.02Å; E49-I57 HydrophobicContact CG-CD1 4.12Å; S50-I57 WeakPolarHBondContact OG-CB 3.33Å; S50-I57 WeakPolarHBondContact OG-CD1 3.47Å; S50-I57 WeakPolarHBondContact OG-CG1 3.34Å; I55-I57 HydrophobicContact CG1-CG1 4.13Å; I55-I57 PolarHBondContact O-N 2.7Å
58D57.8Low65.7Low46 Ų4656 Ų5625%0.24628%0.281CS..SBendtrans-121.3164.6-174.6-150.9-23000110.9T56 G60 R294T56-D58 VanDerWaalsContact CG2-O 3.26Å; T56-D58 WeakPolarHBondContact CG2-O 3.48Å; D58-G60 PolarHBondContact O-N 2.99Å; D58-R294 IonicContact OD1-CZ 3.3Å; D58-R294 IonicContact OD1-NE 3.98Å; D58-R294 IonicContact OD1-NH2 3.48Å; D58-R294 PolarHBondContact OD1-NH2 3.12Å; D58-R294 IonicContact OD2-NH2 2.92Å
59L64.1Low67.6Low1 Ų155 Ų551%0.00527%0.272CS..  trans-65.5115.6175.2-72163.7000109.9F61 V90 T101 C105L59-F61 HydrophobicContact CB-CD2 4.23Å; L59-F61 HydrophobicContact CB-CE2 3.4Å; L59-F61 VanDerWaalsContact CB-CE2 3.4Å; L59-F61 HydrophobicContact CB-CZ 3.65Å; L59-F61 HydrophobicContact CD1-CE2 4.4Å; L59-F61 HydrophobicContact CD1-CZ 3.96Å; L59-F61 HydrophobicContact CG-CE2 4.49Å; L59-F61 HydrophobicContact CG-CZ 4.33Å; L59-F61 WeakPolarHBondContact O-CD2 3.35Å; L59-V90 HydrophobicContact CD2-CG1 3.6Å; L59-T101 HydrophobicContact CD1-CG2 3.4Å; L59-T101 VanDerWaalsContact CD1-CG2 3.4Å; L59-T101 HydrophobicContact CD2-CG2 3.58Å; L59-T101 HydrophobicContact CG-CG2 3.24Å; L59-C105 VanDerWaalsContact CD1-SG 3.53Å
60G67Low69.2Low5 Ų558.3 Ų58.35%0.05229%0.288CS..EExtended strand (participates in β ladder)trans-82.5132.9167.600000109.5D58 D91D58-G60 PolarHBondContact O-N 2.99Å; G60-D91 PolarHBondContact N-O 2.88Å; G60-D91 PolarHBondContact O-N 2.85Å
61F73Confident70.7Confident3 Ų365.4 Ų65.41%0.01332%0.321CS..EExtended strand (participates in β ladder)trans-117.6126.9174.5-62.5-89.4000110.7G40 A43 L59 T88 L89 V90 D223 R279G40-F61 CarbonylContact C-O 3.44Å; G40-F61 WeakPolarHBondContact CA-O 3.45Å; G40-F61 PolarHBondContact N-O 3.35Å; A43-F61 WeakPolarHBondContact CA-O 3.33Å; A43-F61 VanDerWaalsContact CB-O 3.25Å; A43-F61 WeakPolarHBondContact CB-O 3.38Å; L59-F61 HydrophobicContact CB-CD2 4.23Å; L59-F61 HydrophobicContact CB-CE2 3.4Å; L59-F61 VanDerWaalsContact CB-CE2 3.4Å; L59-F61 HydrophobicContact CB-CZ 3.65Å; L59-F61 HydrophobicContact CD1-CE2 4.4Å; L59-F61 HydrophobicContact CD1-CZ 3.96Å; L59-F61 HydrophobicContact CG-CE2 4.49Å; L59-F61 HydrophobicContact CG-CZ 4.33Å; L59-F61 WeakPolarHBondContact O-CD2 3.35Å; F61-T88 HydrophobicContact CD1-CG2 4.32Å; F61-L89 WeakPolarHBondContact CA-O 3.34Å; F61-V90 HydrophobicContact CD1-CG2 4.1Å; F61-V90 HydrophobicContact CE1-CB 4.37Å; F61-V90 HydrophobicContact CE1-CG1 3.95Å; F61-V90 HydrophobicContact CE1-CG2 3.88Å; F61-V90 HydrophobicContact CZ-CG1 4.48Å; F61-D223 HydrophobicContact CE2-CB 4.09Å; F61-D223 WeakPolarHBondContact CE2-OD2 3.44Å; F61-D223 HydrophobicContact CZ-CB 4.2Å; F61-D223 WeakPolarHBondContact CZ-OD2 3.29Å; F61-R279 VanDerWaalsContact CE1-CZ 3.45Å; F61-R279 VanDerWaalsContact CG-NH2 3.3Å
62S79.5Confident72.3Confident4 Ų457.6 Ų57.63%0.02829%0.291CS..EExtended strand (participates in β ladder)trans-138.2170.5171.565.60000110.2S36 L89S36-S62 VanDerWaalsContact OG-CB 3.23Å; S36-S62 WeakPolarHBondContact OG-CB 3.43Å; S36-S62 PolarHBondContact OG-OG 3.31Å; S62-L89 PolarHBondContact N-O 2.84Å; S62-L89 PolarHBondContact O-N 3Å
63C84.4Confident73.9Confident5 Ų548.1 Ų48.13%0.03426%0.259CS..EExtended strand (participates in β ladder)trans-150.1167.3177.470.40000113.7K37 V38 V87 F267K37-C63 PolarHBondContact N-O 3.42Å; V38-C63 PolarHBondContact N-O 3.17Å; V38-C63 VanDerWaalsContact N-O 3.14Å; V38-C63 PolarHBondContact O-N 3.16Å; V38-C63 VanDerWaalsContact O-N 3.11Å; V38-C63 VanDerWaalsContact O-O 3.05Å; C63-V87 WeakPolarHBondContact CA-O 3.43Å; C63-V87 WeakPolarHBondContact CB-O 3.24Å; C63-F267 HydrophobicContact CB-CD1 4.06Å; C63-F267 HydrophobicContact CB-CE1 3.47Å; C63-F267 VanDerWaalsContact CB-CE1 3.47Å; C63-F267 HydrophobicContact CB-CZ 4.29Å; C63-F267 WeakPolarHBondContact SG-CD1 3.46Å; C63-F267 WeakPolarHBondContact SG-CE1 3.35Å
64F86.7Confident75.9Confident4 Ų446.1 Ų46.12%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-150.6163.7166.159-91.2000109I35 K37 I66 V87 L89 M198 F201I35-F64 HydrophobicContact CD1-CE1 4Å; I35-F64 HydrophobicContact CG1-CE1 4.25Å; I35-F64 WeakPolarHBondContact O-CD1 3.26Å; K37-F64 HydrophobicContact CB-CB 4.29Å; K37-F64 HydrophobicContact CG-CB 4.37Å; F64-I66 HydrophobicContact CD2-CD1 4.44Å; F64-I66 HydrophobicContact CD2-CG1 4.11Å; F64-I66 HydrophobicContact CE2-CD1 3.81Å; F64-I66 HydrophobicContact CE2-CG1 3.98Å; F64-V87 HydrophobicContact CD1-CB 4.35Å; F64-V87 HydrophobicContact CD2-CB 4.12Å; F64-V87 HydrophobicContact CD2-CG2 4.29Å; F64-V87 HydrophobicContact CE1-CB 3.94Å; F64-V87 HydrophobicContact CE1-CG1 3.79Å; F64-V87 HydrophobicContact CE2-CB 3.67Å; F64-V87 HydrophobicContact CE2-CG1 4.13Å; F64-V87 HydrophobicContact CE2-CG2 3.66Å; F64-V87 HydrophobicContact CG-CB 4.44Å; F64-V87 HydrophobicContact CZ-CB 3.59Å; F64-V87 HydrophobicContact CZ-CG1 3.54Å; F64-V87 HydrophobicContact CZ-CG2 3.94Å; F64-V87 PolarHBondContact N-O 3.13Å; F64-V87 PolarHBondContact O-N 2.94Å; F64-L89 HydrophobicContact CD1-CD1 4.14Å; F64-L89 HydrophobicContact CD1-CG 4.39Å; F64-L89 HydrophobicContact CE1-CD1 3.92Å; F64-L89 HydrophobicContact CE1-CD2 3.95Å; F64-L89 HydrophobicContact CE1-CG 4.01Å; F64-M198 HydrophobicContact CD2-CE 4.03Å; F64-M198 HydrophobicContact CE2-CE 3.62Å; F64-M198 HydrophobicContact CE2-SD 4.21Å; F64-M198 HydrophobicContact CZ-CE 4.32Å; F64-M198 HydrophobicContact CZ-SD 4.33Å; F64-F201 HydrophobicContact CE2-CD1 4.35Å; F64-F201 AromaticContact CE2-CE1 3.79Å; F64-F201 HydrophobicContact CE2-CE1 3.79Å; F64-F201 HydrophobicContact CZ-CD1 4.22Å; F64-F201 AromaticContact CZ-CE1 3.68Å; F64-F201 HydrophobicContact CZ-CE1 3.68Å; F64-F201 HydrophobicContact CZ-CZ 4.42Å
65T87.9Confident77.4Confident63 Ų6349.6 Ų49.639%0.38726%0.261SS..EExtended strand (participates in β ladder)trans-117.4144.4179.152.80000110.8I84 I85 Q86T65-I84 HydrophobicContact CG2-CD1 4.43Å; T65-I85 CarbonylContact C-O 3.59Å; T65-I85 VanDerWaalsContact CA-O 3.28Å; T65-I85 WeakPolarHBondContact CA-O 3.43Å; T65-Q86 HydrophobicContact CG2-CB 4.35Å; T65-Q86 HydrophobicContact CG2-CG 4.31Å
66I88.7Confident79Confident15 Ų1548.8 Ų48.88%0.07726%0.258CS..EExtended strand (participates in β ladder)trans-121.3126.1174-58.8169.4000107.5F64 I85 V87 M198 F201 T202 I205F64-I66 HydrophobicContact CD2-CD1 4.44Å; F64-I66 HydrophobicContact CD2-CG1 4.11Å; F64-I66 HydrophobicContact CE2-CD1 3.81Å; F64-I66 HydrophobicContact CE2-CG1 3.98Å; I66-I85 HydrophobicContact CB-CB 4.43Å; I66-I85 PolarHBondContact N-O 2.89Å; I66-I85 PolarHBondContact O-N 3.02Å; I66-V87 HydrophobicContact CD1-CG2 4.38Å; I66-M198 HydrophobicContact CD1-CE 3.92Å; I66-M198 HydrophobicContact CG1-CE 4.05Å; I66-F201 HydrophobicContact CD1-CD1 3.96Å; I66-F201 HydrophobicContact CD1-CE1 3.62Å; I66-T202 HydrophobicContact CG2-CG2 4.41Å; I66-I205 HydrophobicContact CD1-CD1 3.76Å
67P89.2Confident80.7Confident91 Ų9156.2 Ų56.259%0.59129%0.288SS*.EExtended strand (participates in β ladder)trans-68.2138.2171.329.2-32.8000110.1T69P67-T69 PolarHBondContact O-N 3.08Å
68I88.5Confident82.5Confident32 Ų3259 Ų5916%0.16430%0.3CS..  trans-74.6127.5176.5-69.6173.4000108.9T73 L79 F82 D83 I85I68-T73 HydrophobicContact CG2-CG2 3.68Å; I68-L79 HydrophobicContact CD1-CD2 4.23Å; I68-L79 HydrophobicContact CG2-CB 4.33Å; I68-F82 HydrophobicContact CD1-CB 3.33Å; I68-D83 PolarHBondContact N-O 3.35Å; I68-D83 VanDerWaalsContact N-O 3.09Å; I68-I85 HydrophobicContact CD1-CD1 4.43Å; I68-I85 HydrophobicContact CD1-CG1 3.91Å; I68-I85 HydrophobicContact CG1-CD1 3.86Å; I68-I85 HydrophobicContact CG1-CG1 3.7Å
69T86.9Confident83.9Confident65 Ų6556.9 Ų56.940%0.39929%0.289SS..  trans-105.4159.1177.3700000110.8P67 Q71 M72 T73P67-T69 PolarHBondContact O-N 3.08Å; T69-Q71 PolarHBondContact O-N 3.25Å; T69-M72 WeakPolarHBondContact O-CB 3.47Å; T69-M72 PolarHBondContact O-N 3.08Å; T69-M72 WeakPolarHBondContact OG1-CG 3.35Å; T69-T73 PolarHBondContact O-N 3.48Å
70E85.8Confident85.1Confident161 Ų16162.1 Ų62.175%0.75232%0.316SS*.Hα-helixtrans-58.9-35.3177.8-168.5172.5-165.900112.5M72 T73 V74E70-M72 PolarHBondContact O-N 3.45Å; E70-T73 WeakPolarHBondContact CA-OG1 3.4Å; E70-T73 PolarHBondContact O-N 3.03Å; E70-T73 PolarHBondContact O-OG1 2.86Å; E70-V74 WeakPolarHBondContact O-CG2 3.41Å; E70-V74 PolarHBondContact O-N 2.78Å
71Q85Confident86.1Confident151 Ų15166.1 Ų66.171%0.70634%0.336SS*.Hα-helixtrans-61.8-31.9174.5-65.3176.5-300112.5T69T69-Q71 PolarHBondContact O-N 3.25Å
72M87.2Confident87Confident3 Ų368.5 Ų68.52%0.01535%0.346CS..Hα-helixtrans-72.2-43.1176.1-61.3-178.677.200111.3T69 E70 V74 R75 D76 L79 I85 T202 I205T69-M72 WeakPolarHBondContact O-CB 3.47Å; T69-M72 PolarHBondContact O-N 3.08Å; T69-M72 WeakPolarHBondContact OG1-CG 3.35Å; E70-M72 PolarHBondContact O-N 3.45Å; M72-V74 VanDerWaalsContact C-N 3.28Å; M72-V74 PolarHBondContact O-N 3.48Å; M72-R75 PolarHBondContact O-N 3.25Å; M72-R75 VanDerWaalsContact O-N 3.11Å; M72-D76 PolarHBondContact O-N 2.83Å; M72-L79 HydrophobicContact CB-CD1 3.78Å; M72-L79 HydrophobicContact CE-CD1 4.28Å; M72-I85 HydrophobicContact CE-CD1 3.26Å; M72-I85 HydrophobicContact SD-CD1 4.16Å; M72-T202 HydrophobicContact CE-CG2 3.56Å; M72-T202 HydrophobicContact CG-CG2 4.22Å; M72-T202 HydrophobicContact SD-CG2 3.57Å; M72-T202 VanDerWaalsContact SD-CG2 3.57Å; M72-I205 HydrophobicContact CE-CB 4.34Å; M72-I205 HydrophobicContact CE-CD1 4.28Å; M72-I205 HydrophobicContact CE-CG2 4.42Å
73T85.9Confident87.5Confident30 Ų3070.2 Ų70.218%0.18436%0.355CS..Hα-helixtrans-68.6-25.9-179.159.60000113I68 T69 E70 D76 K77 L79 I80I68-T73 HydrophobicContact CG2-CG2 3.68Å; T69-T73 PolarHBondContact O-N 3.48Å; E70-T73 WeakPolarHBondContact CA-OG1 3.4Å; E70-T73 PolarHBondContact O-N 3.03Å; E70-T73 PolarHBondContact O-OG1 2.86Å; T73-D76 WeakPolarHBondContact CA-O 3.35Å; T73-D76 CarbonylContact O-C 3.53Å; T73-K77 WeakPolarHBondContact O-CA 3.48Å; T73-K77 PolarHBondContact O-N 2.95Å; T73-L79 HydrophobicContact CG2-CB 4.06Å; T73-I80 HydrophobicContact CG2-CB 4.43Å
74V87Confident87.8Confident114 Ų11471.6 Ų71.669%0.69136%0.362SS*.Hα-helixtrans-66.6-37.9170.6172.10000111.8E70 M72E70-V74 WeakPolarHBondContact O-CG2 3.41Å; E70-V74 PolarHBondContact O-N 2.78Å; M72-V74 VanDerWaalsContact C-N 3.28Å; M72-V74 PolarHBondContact O-N 3.48Å
75R85.8Confident88Confident124 Ų12471.4 Ų71.447%0.46836%0.361SS..Hα-helixtrans-76.9-39.8-179.7-68.2-176-62.9-151.64.1112.6M72 T202 T203M72-R75 PolarHBondContact O-N 3.25Å; M72-R75 VanDerWaalsContact O-N 3.11Å; R75-T202 PolarHBondContact NH2-O 3.43Å; R75-T203 PolarHBondContact NH1-OG1 3.38Å
76D85.7Confident88.1Confident38 Ų3869.5 Ų69.520%0.20335%0.348CS..  trans-135102.5178.1-171.4-15.2000108.9M72 T73 E78 L79 V207M72-D76 PolarHBondContact O-N 2.83Å; T73-D76 WeakPolarHBondContact CA-O 3.35Å; T73-D76 CarbonylContact O-C 3.53Å; D76-E78 PolarHBondContact O-N 2.95Å; D76-E78 PolarHBondContact OD1-N 2.8Å; D76-L79 HydrophobicContact CB-CD1 4.01Å; D76-L79 HydrophobicContact CB-CG 4.2Å; D76-L79 WeakPolarHBondContact O-CB 3.42Å; D76-L79 PolarHBondContact O-N 3.24Å; D76-L79 VanDerWaalsContact O-N 3.11Å; D76-V207 PolarHBondContact OD2-N 3.08Å
77K86.6Confident88.2Confident175 Ų17568.8 Ų68.876%0.76134%0.344SS*.G310 helixtrans-61.9-25.3-174.8-68.2-176.6-179.7179.80112.4T73 L79 I80T73-K77 WeakPolarHBondContact O-CA 3.48Å; T73-K77 PolarHBondContact O-N 2.95Å; K77-L79 PolarHBondContact O-N 3.32Å; K77-I80 WeakPolarHBondContact O-CB 3.25Å; K77-I80 WeakPolarHBondContact O-CG2 3.39Å; K77-I80 PolarHBondContact O-N 3.39Å
78E89.5Confident88.1Confident108 Ų10864.5 Ų64.551%0.50532%0.316SS..G310 helixtrans-66.5-22.6179.5-66.1-163.8166.100112.6D76 I80 N81 V207D76-E78 PolarHBondContact O-N 2.95Å; D76-E78 PolarHBondContact OD1-N 2.8Å; E78-I80 PolarHBondContact O-N 3.46Å; E78-I80 VanDerWaalsContact O-N 3.15Å; E78-N81 WeakPolarHBondContact O-CB 3.37Å; E78-N81 PolarHBondContact O-N 2.95Å; E78-N81 VanDerWaalsContact O-N 3.14Å; E78-N81 PolarHBondContact O-ND2 3.37Å; E78-V207 HydrophobicContact CB-CB 4Å; E78-V207 HydrophobicContact CB-CG1 4.27Å; E78-V207 HydrophobicContact CB-CG2 3.71Å; E78-V207 WeakPolarHBondContact OE2-CG1 3.34Å
79L87.9Confident88.1Confident3 Ų363 Ų632%0.01631%0.308CS..G310 helixtrans-63.1-19.5177.3-71.1172.9000113.4L14 I68 M72 T73 D76 K77 N81 F82 I85 V207L14-L79 HydrophobicContact CD2-CD2 3.65Å; I68-L79 HydrophobicContact CD1-CD2 4.23Å; I68-L79 HydrophobicContact CG2-CB 4.33Å; M72-L79 HydrophobicContact CB-CD1 3.78Å; M72-L79 HydrophobicContact CE-CD1 4.28Å; T73-L79 HydrophobicContact CG2-CB 4.06Å; D76-L79 HydrophobicContact CB-CD1 4.01Å; D76-L79 HydrophobicContact CB-CG 4.2Å; D76-L79 WeakPolarHBondContact O-CB 3.42Å; D76-L79 PolarHBondContact O-N 3.24Å; D76-L79 VanDerWaalsContact O-N 3.11Å; K77-L79 PolarHBondContact O-N 3.32Å; L79-N81 PolarHBondContact O-N 2.58Å; L79-N81 VanDerWaalsContact O-N 3.11Å; L79-F82 PolarHBondContact O-N 3.12Å; L79-I85 HydrophobicContact CD2-CD1 4.29Å; L79-I85 HydrophobicContact CD2-CG1 4.45Å; L79-V207 HydrophobicContact CD2-CG2 3.55Å; L79-V207 HydrophobicContact CG-CG2 3.77Å
80I88.6Confident87.8Confident111 Ų11159.9 Ų59.957%0.56929%0.289SS*.G310 helixtrans-60.8-21.5175.8-157168.2000112.9R12 T73 K77 E78 F82R12-I80 PolarHBondContact NH1-O 3.13Å; R12-I80 PolarHBondContact NH2-O 3.36Å; T73-I80 HydrophobicContact CG2-CB 4.43Å; K77-I80 WeakPolarHBondContact O-CB 3.25Å; K77-I80 WeakPolarHBondContact O-CG2 3.39Å; K77-I80 PolarHBondContact O-N 3.39Å; E78-I80 PolarHBondContact O-N 3.46Å; E78-I80 VanDerWaalsContact O-N 3.15Å; I80-F82 PolarHBondContact O-N 3.37Å
81N88.8Confident87.5Confident89 Ų8952.4 Ų52.448%0.47626%0.255SS..G310 helixtrans-76.3-4.6177.7-63.6-45.3000113.3R12 E78 L79R12-N81 WeakPolarHBondContact CB-O 3.45Å; R12-N81 WeakPolarHBondContact CD-O 3.38Å; R12-N81 PolarHBondContact NE-O 2.63Å; R12-N81 VanDerWaalsContact NE-O 3.16Å; R12-N81 PolarHBondContact NH1-O 3.14Å; E78-N81 WeakPolarHBondContact O-CB 3.37Å; E78-N81 PolarHBondContact O-N 2.95Å; E78-N81 VanDerWaalsContact O-N 3.14Å; E78-N81 PolarHBondContact O-ND2 3.37Å; L79-N81 PolarHBondContact O-N 2.58Å; L79-N81 VanDerWaalsContact O-N 3.11Å
82F91.3Very high87Confident52 Ų5245.2 Ų45.223%0.22822%0.221CC..  trans-128.7159.4-175.7-55.2-80.4000110.3L14 I68 L79 I80 V207L14-F82 HydrophobicContact CB-CB 4.19Å; L14-F82 HydrophobicContact CB-CD1 3.81Å; L14-F82 HydrophobicContact CB-CD2 4.09Å; L14-F82 HydrophobicContact CB-CE1 4.17Å; L14-F82 HydrophobicContact CB-CE2 4.44Å; L14-F82 HydrophobicContact CB-CG 3.76Å; L14-F82 HydrophobicContact CB-CZ 4.47Å; L14-F82 HydrophobicContact CD1-CE1 4.23Å; L14-F82 HydrophobicContact CD1-CE2 4.06Å; L14-F82 HydrophobicContact CD1-CZ 3.9Å; I68-F82 HydrophobicContact CD1-CB 3.33Å; L79-F82 PolarHBondContact O-N 3.12Å; I80-F82 PolarHBondContact O-N 3.37Å; F82-V207 HydrophobicContact CE2-CG1 4.26Å; F82-V207 HydrophobicContact CE2-CG2 4.48Å
83D89.6Confident86.2Confident40 Ų4045.5 Ų45.521%0.21422%0.223CC..SBendtrans-110.4-32.7177.5-49.5-48.7000110.8R9 V11 R12 I68R9-D83 IonicContact CZ-OD1 2.91Å; R9-D83 IonicContact CZ-OD2 2.86Å; R9-D83 IonicContact NH1-OD1 2.84Å; R9-D83 IonicContact NH2-OD1 2.73Å; R9-D83 PolarHBondContact NH2-OD1 3.23Å; R9-D83 IonicContact NH2-OD2 2.54Å; V11-D83 HydrophobicContact CG1-CB 4.13Å; R12-D83 IonicContact CZ-OD1 2.65Å; R12-D83 PolarHBondContact N-OD2 3.26Å; R12-D83 IonicContact NE-OD1 3.08Å; R12-D83 PolarHBondContact NE-OD1 2.85Å; R12-D83 IonicContact NE-OD2 3.77Å; R12-D83 PolarHBondContact NE-OD2 3.32Å; R12-D83 IonicContact NH2-OD1 3.44Å; R12-D83 PolarHBondContact NH2-OD1 3.23Å; R12-D83 PolarHBondContact O-N 3.23Å; I68-D83 PolarHBondContact N-O 3.35Å; I68-D83 VanDerWaalsContact N-O 3.09Å
84I90.8Very high85Confident35 Ų3544.6 Ų44.618%0.17922%0.219CC..EExtended strand (participates in β ladder)trans-136.3152176.263.8172.7000111.3V11 R12 V13 L14 T65V11-I84 HydrophobicContact CG1-CD1 4.01Å; V11-I84 HydrophobicContact CG1-CG1 3.93Å; V11-I84 HydrophobicContact CG1-CG2 4.46Å; R12-I84 PolarHBondContact O-N 3.04Å; V13-I84 HydrophobicContact CB-CG1 4.25Å; V13-I84 HydrophobicContact CG1-CD1 4.36Å; V13-I84 HydrophobicContact CG1-CG1 4.13Å; V13-I84 HydrophobicContact CG2-CD1 3.82Å; V13-I84 HydrophobicContact CG2-CG1 3.79Å; L14-I84 PolarHBondContact N-O 3.38Å; T65-I84 HydrophobicContact CG2-CD1 4.43Å
85I91.2Very high84.1Confident0 Ų042.8 Ų42.80%020%0.204CC..EExtended strand (participates in β ladder)trans-103.4124.4168.4-57.5155.9000107.5L14 F16 T65 I66 I68 M72 L79 V87 I205L14-I85 HydrophobicContact CB-CG1 4.36Å; L14-I85 HydrophobicContact CD2-CG1 4.24Å; L14-I85 WeakPolarHBondContact O-CA 3.49Å; F16-I85 HydrophobicContact CB-CG2 4.1Å; T65-I85 CarbonylContact C-O 3.59Å; T65-I85 VanDerWaalsContact CA-O 3.28Å; T65-I85 WeakPolarHBondContact CA-O 3.43Å; I66-I85 HydrophobicContact CB-CB 4.43Å; I66-I85 PolarHBondContact N-O 2.89Å; I66-I85 PolarHBondContact O-N 3.02Å; I68-I85 HydrophobicContact CD1-CD1 4.43Å; I68-I85 HydrophobicContact CD1-CG1 3.91Å; I68-I85 HydrophobicContact CG1-CD1 3.86Å; I68-I85 HydrophobicContact CG1-CG1 3.7Å; M72-I85 HydrophobicContact CE-CD1 3.26Å; M72-I85 HydrophobicContact SD-CD1 4.16Å; L79-I85 HydrophobicContact CD2-CD1 4.29Å; L79-I85 HydrophobicContact CD2-CG1 4.45Å; I85-V87 HydrophobicContact CG2-CG2 3.97Å; I85-I205 HydrophobicContact CD1-CD1 4.17Å; I85-I205 HydrophobicContact CD1-CG2 4.03Å; I85-I205 HydrophobicContact CG2-CD1 4.47Å
86Q89.3Confident82.7Confident22 Ų2237.1 Ų37.110%0.10318%0.183CC..EExtended strand (participates in β ladder)trans-105.1115.1174.8-177.8168.6-95.300109V13 L14 N15 F16 T65 F267V13-Q86 HydrophobicContact CG1-CB 3.52Å; L14-Q86 PolarHBondContact O-N 3.2Å; N15-Q86 PolarHBondContact OD1-NE2 3.01Å; F16-Q86 PolarHBondContact N-O 3.29Å; T65-Q86 HydrophobicContact CG2-CB 4.35Å; T65-Q86 HydrophobicContact CG2-CG 4.31Å; Q86-F267 VanDerWaalsContact CD-CE2 3.49Å; Q86-F267 HydrophobicContact CG-CD2 4.35Å; Q86-F267 HydrophobicContact CG-CE2 4.18Å; Q86-F267 HydrophobicContact CG-CZ 4.3Å
87V90.8Very high81.4Confident0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-99.5114-175.9-175.70000109F16 V18 C63 F64 I66 I85 L89 F201F16-V87 CarbonylContact O-C 3.53Å; F16-V87 VanDerWaalsContact O-CA 3.26Å; F16-V87 WeakPolarHBondContact O-CA 3.38Å; V18-V87 HydrophobicContact CB-CG1 4.43Å; V18-V87 HydrophobicContact CG2-CG1 3.67Å; C63-V87 WeakPolarHBondContact CA-O 3.43Å; C63-V87 WeakPolarHBondContact CB-O 3.24Å; F64-V87 HydrophobicContact CD1-CB 4.35Å; F64-V87 HydrophobicContact CD2-CB 4.12Å; F64-V87 HydrophobicContact CD2-CG2 4.29Å; F64-V87 HydrophobicContact CE1-CB 3.94Å; F64-V87 HydrophobicContact CE1-CG1 3.79Å; F64-V87 HydrophobicContact CE2-CB 3.67Å; F64-V87 HydrophobicContact CE2-CG1 4.13Å; F64-V87 HydrophobicContact CE2-CG2 3.66Å; F64-V87 HydrophobicContact CG-CB 4.44Å; F64-V87 HydrophobicContact CZ-CB 3.59Å; F64-V87 HydrophobicContact CZ-CG1 3.54Å; F64-V87 HydrophobicContact CZ-CG2 3.94Å; F64-V87 PolarHBondContact N-O 3.13Å; F64-V87 PolarHBondContact O-N 2.94Å; I66-V87 HydrophobicContact CD1-CG2 4.38Å; I85-V87 HydrophobicContact CG2-CG2 3.97Å; V87-L89 HydrophobicContact CG1-CD2 4.12Å; V87-F201 HydrophobicContact CG1-CE1 4.33Å; V87-F201 HydrophobicContact CG1-CZ 3.95Å; V87-F201 HydrophobicContact CG2-CE1 3.83Å; V87-F201 HydrophobicContact CG2-CZ 3.82Å
88T88.5Confident80.2Confident1 Ų131 Ų311%0.00616%0.163CC..EExtended strand (participates in β ladder)trans-92.4116173.2-51.20000108.7F16 N17 V18 F61 F267 R279F16-T88 PolarHBondContact O-N 3.19Å; N17-T88 CarbonylContact C-O 3.55Å; N17-T88 WeakPolarHBondContact CA-O 3.38Å; N17-T88 VanDerWaalsContact OD1-CB 3.26Å; N17-T88 WeakPolarHBondContact OD1-CB 3.37Å; N17-T88 PolarHBondContact OD1-OG1 3.13Å; V18-T88 PolarHBondContact N-O 2.9Å; F61-T88 HydrophobicContact CD1-CG2 4.32Å; T88-F267 HydrophobicContact CG2-CZ 4.45Å; T88-F267 WeakPolarHBondContact OG1-CZ 3.24Å; T88-R279 HydrophobicContact CG2-CB 4.45Å
89L87.4Confident79.2Confident0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-86.3129.1172.7-60.2178.3000109.5V18 I20 I35 F61 S62 F64 V87 F113V18-L89 HydrophobicContact CB-CD2 3.97Å; V18-L89 HydrophobicContact CG1-CD2 4.37Å; I20-L89 HydrophobicContact CD1-CB 4.04Å; I20-L89 HydrophobicContact CD1-CD1 4.19Å; I20-L89 HydrophobicContact CD1-CD2 4.23Å; I20-L89 HydrophobicContact CD1-CG 4.39Å; I35-L89 HydrophobicContact CD1-CD1 3.55Å; I35-L89 HydrophobicContact CD1-CD2 4.12Å; I35-L89 HydrophobicContact CD1-CG 4.48Å; I35-L89 HydrophobicContact CG1-CD1 3.62Å; F61-L89 WeakPolarHBondContact CA-O 3.34Å; S62-L89 PolarHBondContact N-O 2.84Å; S62-L89 PolarHBondContact O-N 3Å; F64-L89 HydrophobicContact CD1-CD1 4.14Å; F64-L89 HydrophobicContact CD1-CG 4.39Å; F64-L89 HydrophobicContact CE1-CD1 3.92Å; F64-L89 HydrophobicContact CE1-CD2 3.95Å; F64-L89 HydrophobicContact CE1-CG 4.01Å; V87-L89 HydrophobicContact CG1-CD2 4.12Å; L89-F113 HydrophobicContact CD2-CD2 4.35Å; L89-F113 HydrophobicContact CD2-CE2 4.01Å
90V82.2Confident78.1Confident0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-111.495.8176.9-175.30000106.8V18 I20 L59 F61 C92 C105V18-V90 PolarHBondContact O-N 2.9Å; I20-V90 PolarHBondContact N-O 3.14Å; L59-V90 HydrophobicContact CD2-CG1 3.6Å; F61-V90 HydrophobicContact CD1-CG2 4.1Å; F61-V90 HydrophobicContact CE1-CB 4.37Å; F61-V90 HydrophobicContact CE1-CG1 3.95Å; F61-V90 HydrophobicContact CE1-CG2 3.88Å; F61-V90 HydrophobicContact CZ-CG1 4.48Å; V90-C92 PolarHBondContact O-N 3.14Å; V90-C92 VanDerWaalsContact O-N 3.12Å; V90-C105 HydrophobicContact CG1-CB 4.45Å
91D78.6Confident77Confident4 Ų426.6 Ų26.62%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-73.6101.9177.8-169.514.3000109.1T29 G60T29-D91 WeakPolarHBondContact CA-OD2 3.46Å; T29-D91 WeakPolarHBondContact CB-OD2 3.43Å; T29-D91 PolarHBondContact OG1-OD2 3.07Å; G60-D91 PolarHBondContact N-O 2.88Å; G60-D91 PolarHBondContact O-N 2.85Å
92C74.8Confident76Confident1 Ų122.6 Ų22.61%0.00711%0.114CC..  trans-83.5138.3-179.5-66.90000109.9I20 L21 K28 V90 G94 V102I20-C92 VanDerWaalsContact O-CB 3.31Å; I20-C92 WeakPolarHBondContact O-CB 3.35Å; I20-C92 PolarHBondContact O-N 2.89Å; I20-C92 VanDerWaalsContact O-N 3.11Å; L21-C92 HydrophobicContact CD2-CB 3.48Å; L21-C92 VanDerWaalsContact CD2-CB 3.48Å; K28-C92 WeakPolarHBondContact CE-O 3.49Å; V90-C92 PolarHBondContact O-N 3.14Å; V90-C92 VanDerWaalsContact O-N 3.12Å; C92-G94 PolarHBondContact O-N 3.33Å; C92-V102 HydrophobicContact CB-CG2 4.04Å
93P69.5Low75.1Confident9 Ų920.2 Ų20.26%0.05810%0.103CC..  trans-64.9138.3176.828.6-36.8000111.4T56 H95 L98T56-P93 WeakPolarHBondContact O-CB 3.27Å; P93-H95 VanDerWaalsContact C-N 3.29Å; P93-H95 PolarHBondContact O-N 3.16Å; P93-L98 HydrophobicContact CB-CB 4.07Å; P93-L98 HydrophobicContact CB-CD1 3.27Å; P93-L98 HydrophobicContact CB-CG 4.22Å; P93-L98 HydrophobicContact CG-CB 3.33Å; P93-L98 HydrophobicContact CG-CD1 3.48Å; P93-L98 VanDerWaalsContact CG-CD1 3.48Å; P93-L98 HydrophobicContact CG-CG 3.91Å
94G61.2Low74.1Confident10 Ų1018.3 Ų18.310%0.1039%0.093CC..SBendtrans-74.3-19.4-179.700000113.8G22 C92 S96 Q125G22-G94 WeakPolarHBondContact O-CA 3.48Å; C92-G94 PolarHBondContact O-N 3.33Å; G94-S96 PolarHBondContact O-N 2.98Å; G94-Q125 VanDerWaalsContact O-CD 3.22Å; G94-Q125 PolarHBondContact O-OE1 2.9Å
95H67.4Low72.8Confident77 Ų7716.6 Ų16.636%0.3569%0.085SC..SBendtrans-79119.7-177.2-162.2-84.1000111.2P93 S97 L98P93-H95 VanDerWaalsContact C-N 3.29Å; P93-H95 PolarHBondContact O-N 3.16Å; H95-S97 PolarHBondContact ND1-N 3.11Å; H95-S97 PolarHBondContact ND1-OG 3.24Å; H95-S97 PolarHBondContact O-N 3.48Å; H95-L98 HydrophobicContact CB-CD1 4.28Å; H95-L98 VanDerWaalsContact O-CB 3.3Å; H95-L98 WeakPolarHBondContact O-CB 3.48Å; H95-L98 PolarHBondContact O-N 2.9Å
96S57.1Low71.9Confident4 Ų416.8 Ų16.83%0.0289%0.086CC..G310 helixtrans-51.3-20.7-179.852.50000119.1G94 L98 F99 R419G94-S96 PolarHBondContact O-N 2.98Å; S96-L98 PolarHBondContact O-N 2.97Å; S96-F99 WeakPolarHBondContact O-CD2 3.42Å; S96-F99 WeakPolarHBondContact O-CE2 3.45Å; S96-F99 VanDerWaalsContact O-CG 3.25Å; S96-F99 WeakPolarHBondContact O-CG 3.5Å; S96-F99 PolarHBondContact O-N 2.82Å; S96-R419 VanDerWaalsContact CB-NH1 3.28Å; S96-R419 PolarHBondContact OG-NH1 3.49Å; S96-R419 PolarHBondContact OG-NH2 3.48Å
97S57.6Low70.9Confident66 Ų6618.4 Ų18.446%0.4629%0.093SC..G310 helixtrans-61.1-10.7170.556.50000112.7H95H95-S97 PolarHBondContact ND1-N 3.11Å; H95-S97 PolarHBondContact ND1-OG 3.24Å; H95-S97 PolarHBondContact O-N 3.48Å
98L63.1Low70.1Confident19 Ų1918.8 Ų18.810%0.09910%0.095CC..G310 helixtrans-107.718.5-173.4-59.8159.5000112.5P93 H95 S96 R100 T101 V102P93-L98 HydrophobicContact CB-CB 4.07Å; P93-L98 HydrophobicContact CB-CD1 3.27Å; P93-L98 HydrophobicContact CB-CG 4.22Å; P93-L98 HydrophobicContact CG-CB 3.33Å; P93-L98 HydrophobicContact CG-CD1 3.48Å; P93-L98 VanDerWaalsContact CG-CD1 3.48Å; P93-L98 HydrophobicContact CG-CG 3.91Å; H95-L98 HydrophobicContact CB-CD1 4.28Å; H95-L98 VanDerWaalsContact O-CB 3.3Å; H95-L98 WeakPolarHBondContact O-CB 3.48Å; H95-L98 PolarHBondContact O-N 2.9Å; S96-L98 PolarHBondContact O-N 2.97Å; L98-R100 PolarHBondContact O-N 3.25Å; L98-R100 VanDerWaalsContact O-N 3.13Å; L98-T101 WeakPolarHBondContact O-CA 3.36Å; L98-T101 WeakPolarHBondContact O-CB 3.21Å; L98-T101 PolarHBondContact O-N 2.97Å; L98-V102 PolarHBondContact O-N 3.25Å
99F67.1Low69.8Low9 Ų919.1 Ų19.14%0.03910%0.097CC..Hα-helixtrans-52.7-33.1171.5-67.8-37.4000113.4S96 T101 V102 I103 D128 L132 L409 I420S96-F99 WeakPolarHBondContact O-CD2 3.42Å; S96-F99 WeakPolarHBondContact O-CE2 3.45Å; S96-F99 VanDerWaalsContact O-CG 3.25Å; S96-F99 WeakPolarHBondContact O-CG 3.5Å; S96-F99 PolarHBondContact O-N 2.82Å; F99-T101 PolarHBondContact O-N 2.77Å; F99-V102 PolarHBondContact O-N 3.18Å; F99-I103 PolarHBondContact O-N 2.92Å; F99-D128 HydrophobicContact CE1-CB 4.08Å; F99-D128 HydrophobicContact CZ-CB 3.99Å; F99-L132 HydrophobicContact CD1-CD1 3.59Å; F99-L132 HydrophobicContact CD1-CD2 4.38Å; F99-L132 HydrophobicContact CD1-CG 4.46Å; F99-L132 HydrophobicContact CE1-CD1 3.69Å; F99-L409 HydrophobicContact CD2-CD2 3.85Å; F99-L409 HydrophobicContact CE2-CD2 4.34Å; F99-I420 HydrophobicContact CE2-CG1 4.37Å; F99-I420 HydrophobicContact CZ-CD1 4.45Å; F99-I420 HydrophobicContact CZ-CG1 4.47Å
100R65.7Low69.9Low121 Ų12120 Ų2046%0.45710%0.102SC..Hα-helixtrans-57.7-38.5174.771.8-175.1178.3-153.50.5112.4L98 G104 T337L98-R100 PolarHBondContact O-N 3.25Å; L98-R100 VanDerWaalsContact O-N 3.13Å; R100-G104 PolarHBondContact O-N 3Å; R100-T337 VanDerWaalsContact CB-OG1 3.25Å; R100-T337 WeakPolarHBondContact CB-OG1 3.3Å
101T65.4Low70.4Confident0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-69.4-45.9179.5-54.50000109.5L59 L98 F99 I103 G104 C105 R294L59-T101 HydrophobicContact CD1-CG2 3.4Å; L59-T101 VanDerWaalsContact CD1-CG2 3.4Å; L59-T101 HydrophobicContact CD2-CG2 3.58Å; L59-T101 HydrophobicContact CG-CG2 3.24Å; L98-T101 WeakPolarHBondContact O-CA 3.36Å; L98-T101 WeakPolarHBondContact O-CB 3.21Å; L98-T101 PolarHBondContact O-N 2.97Å; F99-T101 PolarHBondContact O-N 2.77Å; T101-I103 PolarHBondContact O-N 2.93Å; T101-G104 PolarHBondContact O-N 2.97Å; T101-C105 PolarHBondContact O-N 3.45Å; T101-C105 PolarHBondContact O-SG 3.36Å; T101-R294 PolarHBondContact OG1-NH1 3.31Å
102V68Low71Confident5 Ų519.8 Ų19.83%0.0310%0.101CC..Hα-helixtrans-65.7-39.8178.7-174.50000112L21 C92 L98 F99 C105 S106 L132 M136L21-V102 HydrophobicContact CD2-CG1 4.11Å; C92-V102 HydrophobicContact CB-CG2 4.04Å; L98-V102 PolarHBondContact O-N 3.25Å; F99-V102 PolarHBondContact O-N 3.18Å; V102-C105 CarbonylContact O-C 3.49Å; V102-C105 WeakPolarHBondContact O-CB 3.19Å; V102-C105 PolarHBondContact O-N 2.8Å; V102-S106 PolarHBondContact O-N 3.18Å; V102-L132 HydrophobicContact CB-CD1 4.47Å; V102-L132 HydrophobicContact CG1-CD1 4.11Å; V102-M136 HydrophobicContact CG1-SD 3.95Å
103I72.7Confident71.9Confident1 Ų119.7 Ų19.71%0.00510%0.1CC..Hα-helixtrans-68.8-39.1177.3-80.3-72.5000112.3F99 T101 C105 S106 C332 L405F99-I103 PolarHBondContact O-N 2.92Å; T101-I103 PolarHBondContact O-N 2.93Å; I103-C105 PolarHBondContact O-N 3.12Å; I103-S106 VanDerWaalsContact O-CB 3.24Å; I103-S106 WeakPolarHBondContact O-CB 3.11Å; I103-S106 PolarHBondContact O-N 3.11Å; I103-S106 PolarHBondContact O-OG 2.78Å; I103-C332 HydrophobicContact CG2-CB 4.41Å; I103-L405 HydrophobicContact CD1-CD1 3.55Å; I103-L405 HydrophobicContact CD1-CD2 3.84Å; I103-L405 HydrophobicContact CD1-CG 3.35Å; I103-L405 HydrophobicContact CG1-CD1 3.26Å; I103-L405 HydrophobicContact CG1-CD2 4.47Å; I103-L405 HydrophobicContact CG1-CG 3.52Å
104G67Low73.1Confident0 Ų019.4 Ų19.40%010%0.098CC..Hα-helixtrans-55.4-35.2171.200000112R100 T101 G334R100-G104 PolarHBondContact O-N 3Å; T101-G104 PolarHBondContact O-N 2.97Å; G104-G334 WeakPolarHBondContact CA-O 3.23Å; G104-G334 PolarHBondContact N-O 3.44Å
105C65.1Low74.7Confident0 Ų018.9 Ų18.90%09%0.093CC..Hα-helixtrans-82.8-12.2175.1-590000114.4L59 V90 T101 V102 I103 Q107 I108 V109L59-C105 VanDerWaalsContact CD1-SG 3.53Å; V90-C105 HydrophobicContact CG1-CB 4.45Å; T101-C105 PolarHBondContact O-N 3.45Å; T101-C105 PolarHBondContact O-SG 3.36Å; V102-C105 CarbonylContact O-C 3.49Å; V102-C105 WeakPolarHBondContact O-CB 3.19Å; V102-C105 PolarHBondContact O-N 2.8Å; I103-C105 PolarHBondContact O-N 3.12Å; C105-Q107 PolarHBondContact O-N 3.27Å; C105-I108 HydrophobicContact CB-CD1 4.21Å; C105-I108 HydrophobicContact CB-CG1 4.16Å; C105-I108 WeakPolarHBondContact O-CG1 3.13Å; C105-I108 PolarHBondContact O-N 2.8Å; C105-V109 HydrophobicContact CB-CG2 4.19Å; C105-V109 VanDerWaalsContact O-CG2 3.28Å; C105-V109 WeakPolarHBondContact O-CG2 3.43Å; C105-V109 PolarHBondContact O-N 2.73Å; C105-V109 VanDerWaalsContact O-N 3.14Å
106S71.5Confident76Confident4 Ų415.3 Ų15.33%0.0288%0.077CC..THydrogen-bonded Turntrans-59.4-25-176690000114.4V102 I103V102-S106 PolarHBondContact O-N 3.18Å; I103-S106 VanDerWaalsContact O-CB 3.24Å; I103-S106 WeakPolarHBondContact O-CB 3.11Å; I103-S106 PolarHBondContact O-N 3.11Å; I103-S106 PolarHBondContact O-OG 2.78Å
107Q68.9Low77.8Confident56 Ų5615.2 Ų15.226%0.2628%0.076SC..THydrogen-bonded Turntrans-85.3-20.1-178.9-62.4-175.310.600113.2C105 I240C105-Q107 PolarHBondContact O-N 3.27Å; Q107-I240 HydrophobicContact CB-CG2 4.43Å; Q107-I240 VanDerWaalsContact OE1-CG2 3.23Å
108I72.6Confident79.6Confident7 Ų712.1 Ų12.14%0.0365%0.054CC..THydrogen-bonded Turntrans-101.4-22.7-176.257.5172.9000112.4N17 C105 D110 T238 I240N17-I108 WeakPolarHBondContact CB-O 3.45Å; N17-I108 PolarHBondContact ND2-O 2.98Å; N17-I108 VanDerWaalsContact ND2-O 3.15Å; C105-I108 HydrophobicContact CB-CD1 4.21Å; C105-I108 HydrophobicContact CB-CG1 4.16Å; C105-I108 WeakPolarHBondContact O-CG1 3.13Å; C105-I108 PolarHBondContact O-N 2.8Å; I108-D110 PolarHBondContact O-N 3.18Å; I108-T238 HydrophobicContact CB-CG2 3.97Å; I108-T238 HydrophobicContact CD1-CG2 4.21Å; I108-T238 HydrophobicContact CG2-CG2 3.6Å; I108-I240 HydrophobicContact CG2-CD1 3.14Å
109V84Confident81Confident9 Ų916.7 Ų16.76%0.0558%0.075CC..  trans-79.6115-172.9170.90000110.7C105 M111 V112 M136C105-V109 HydrophobicContact CB-CG2 4.19Å; C105-V109 VanDerWaalsContact O-CG2 3.28Å; C105-V109 WeakPolarHBondContact O-CG2 3.43Å; C105-V109 PolarHBondContact O-N 2.73Å; C105-V109 VanDerWaalsContact O-N 3.14Å; V109-M111 WeakPolarHBondContact CG1-O 3.36Å; V109-V112 HydrophobicContact CG1-CG2 3.93Å; V109-M136 HydrophobicContact CB-CE 3.54Å; V109-M136 HydrophobicContact CG1-CE 3.76Å; V109-M136 HydrophobicContact CG2-CE 3.69Å
110D88.9Confident82.2Confident17 Ų1721.5 Ų21.59%0.09110%0.096CC..SBendtrans-80.8-38.3177.1-54.2-61.8000110.7F16 N17 I108 P138 Y206 P208 R210F16-D110 WeakPolarHBondContact CA-OD2 3.47Å; F16-D110 HydrophobicContact CD1-CB 4.35Å; F16-D110 HydrophobicContact CD2-CB 4.05Å; F16-D110 HydrophobicContact CE1-CB 3.99Å; F16-D110 HydrophobicContact CE2-CB 3.65Å; F16-D110 HydrophobicContact CG-CB 4.38Å; F16-D110 HydrophobicContact CZ-CB 3.61Å; N17-D110 PolarHBondContact N-OD2 3.47Å; N17-D110 PolarHBondContact O-N 3.33Å; I108-D110 PolarHBondContact O-N 3.18Å; D110-P138 VanDerWaalsContact O-CB 3.22Å; D110-P138 WeakPolarHBondContact O-CB 3Å; D110-Y206 PolarHBondContact O-OH 2.96Å; D110-P208 HydrophobicContact CB-CG 4.01Å; D110-P208 VanDerWaalsContact CG-CG 3.45Å; D110-P208 VanDerWaalsContact OD1-CB 3.26Å; D110-P208 WeakPolarHBondContact OD1-CB 3.21Å; D110-P208 VanDerWaalsContact OD1-CG 3.22Å; D110-P208 WeakPolarHBondContact OD1-CG 3.34Å; D110-R210 IonicContact OD1-NH2 3.59Å; D110-R210 PolarHBondContact OD1-NH2 3.27Å; D110-R210 IonicContact OD2-NH2 2.97Å; D110-R210 PolarHBondContact OD2-NH2 2.59Å
111M92.4Very high83.5Confident0 Ų015.9 Ų15.90%08%0.076CC..EExtended strand (participates in β ladder)trans-137.1150.9-179.6-171.1-178.8-71.500111.8F16 N17 V18 G19 V109 F113 K140 L142 F201 N204F16-M111 HydrophobicContact CE1-CB 3.65Å; F16-M111 HydrophobicContact CE1-CE 4.25Å; F16-M111 HydrophobicContact CZ-CB 3.99Å; F16-M111 HydrophobicContact CZ-CE 4.15Å; N17-M111 PolarHBondContact O-N 3.3Å; V18-M111 CarbonylContact C-O 3.59Å; V18-M111 VanDerWaalsContact CA-O 3.25Å; V18-M111 WeakPolarHBondContact CA-O 3.3Å; V18-M111 HydrophobicContact CG1-CB 4.48Å; V18-M111 WeakPolarHBondContact CG1-O 3.46Å; V18-M111 HydrophobicContact CG2-CB 4.29Å; G19-M111 PolarHBondContact N-O 3.32Å; V109-M111 WeakPolarHBondContact CG1-O 3.36Å; M111-F113 HydrophobicContact CG-CE1 4.35Å; M111-F113 HydrophobicContact SD-CD1 4.37Å; M111-F113 HydrophobicContact SD-CE1 3.68Å; M111-K140 HydrophobicContact CE-CB 3.87Å; M111-K140 HydrophobicContact CE-CD 4.29Å; M111-K140 HydrophobicContact CG-CB 4.34Å; M111-K140 WeakPolarHBondContact CG-O 3.42Å; M111-L142 HydrophobicContact SD-CD1 4.05Å; M111-L142 HydrophobicContact SD-CG 4.07Å; M111-F201 HydrophobicContact CE-CD2 4.45Å; M111-F201 HydrophobicContact CE-CE2 4.29Å; M111-F201 HydrophobicContact SD-CD2 3.83Å; M111-F201 HydrophobicContact SD-CE2 3.77Å; M111-N204 HydrophobicContact CE-CB 4.05Å; M111-N204 WeakPolarHBondContact CE-O 3.43Å
112V91.5Very high84.6Confident0 Ų018.1 Ų18.10%09%0.087CC..EExtended strand (participates in β ladder)trans-110.2133.4172.8168.70000111.1G19 L21 V109 A133 M136 P138 K140 M141 L142G19-V112 CarbonylContact O-C 3.52Å; G19-V112 WeakPolarHBondContact O-CA 3.49Å; L21-V112 HydrophobicContact CB-CG1 4.22Å; L21-V112 HydrophobicContact CD1-CG1 3.72Å; L21-V112 HydrophobicContact CD1-CG2 4.31Å; L21-V112 HydrophobicContact CG-CG1 3.85Å; V109-V112 HydrophobicContact CG1-CG2 3.93Å; V112-A133 HydrophobicContact CB-CB 4.44Å; V112-A133 HydrophobicContact CG1-CB 4.27Å; V112-A133 HydrophobicContact CG2-CB 4.31Å; V112-M136 HydrophobicContact CG2-CE 4.44Å; V112-M136 HydrophobicContact CG2-SD 4.42Å; V112-P138 HydrophobicContact CB-CG 4.35Å; V112-P138 HydrophobicContact CG2-CB 4.43Å; V112-P138 HydrophobicContact CG2-CG 3.91Å; V112-K140 PolarHBondContact N-O 3.02Å; V112-M141 HydrophobicContact CB-CG 4.2Å; V112-M141 HydrophobicContact CG1-CG 4.17Å; V112-M141 HydrophobicContact CG1-SD 4.37Å; V112-M141 CarbonylContact O-C 3.51Å; V112-M141 VanDerWaalsContact O-CA 3.23Å; V112-M141 WeakPolarHBondContact O-CA 3.41Å; V112-M141 WeakPolarHBondContact O-CG 3.49Å; V112-L142 PolarHBondContact O-N 3.18Å
113F93.7Very high85.5Confident0 Ų019.5 Ų19.50%09%0.093CC..EExtended strand (participates in β ladder)trans-98.6115.7162.5-64.3-16.3000108.8V18 G19 I20 L21 F31 I35 L89 M111 L142 F197 F201V18-F113 HydrophobicContact CB-CE2 4.38Å; V18-F113 HydrophobicContact CB-CZ 4.49Å; V18-F113 HydrophobicContact CG1-CB 4.33Å; V18-F113 HydrophobicContact CG1-CD1 3.62Å; V18-F113 HydrophobicContact CG1-CD2 3.45Å; V18-F113 VanDerWaalsContact CG1-CD2 3.45Å; V18-F113 HydrophobicContact CG1-CE1 3.67Å; V18-F113 HydrophobicContact CG1-CE2 3.56Å; V18-F113 HydrophobicContact CG1-CG 3.53Å; V18-F113 HydrophobicContact CG1-CZ 3.67Å; V18-F113 HydrophobicContact CG2-CZ 4.34Å; G19-F113 PolarHBondContact O-N 3.17Å; I20-F113 WeakPolarHBondContact CA-O 3.43Å; I20-F113 HydrophobicContact CG1-CB 4.44Å; I20-F113 HydrophobicContact CG1-CD2 4.35Å; L21-F113 PolarHBondContact N-O 3.22Å; F31-F113 HydrophobicContact CE1-CB 4.17Å; F31-F113 AromaticContact CE1-CD2 3.64Å; F31-F113 HydrophobicContact CE1-CD2 3.64Å; F31-F113 HydrophobicContact CE1-CE2 4.4Å; F31-F113 HydrophobicContact CE1-CG 4.26Å; F31-F113 AromaticContact CZ-CD2 3.96Å; F31-F113 HydrophobicContact CZ-CD2 3.96Å; F31-F113 HydrophobicContact CZ-CE2 4.38Å; I35-F113 HydrophobicContact CD1-CD2 4.46Å; I35-F113 HydrophobicContact CD1-CE2 4.05Å; L89-F113 HydrophobicContact CD2-CD2 4.35Å; L89-F113 HydrophobicContact CD2-CE2 4.01Å; M111-F113 HydrophobicContact CG-CE1 4.35Å; M111-F113 HydrophobicContact SD-CD1 4.37Å; M111-F113 HydrophobicContact SD-CE1 3.68Å; F113-L142 CarbonylContact C-O 3.57Å; F113-L142 WeakPolarHBondContact CA-O 3.31Å; F113-L142 HydrophobicContact CD1-CB 3.92Å; F113-L142 HydrophobicContact CD1-CD1 4.25Å; F113-L142 HydrophobicContact CD1-CG 4.39Å; F113-L142 HydrophobicContact CE1-CB 4.22Å; F113-L142 HydrophobicContact CE1-CD1 3.68Å; F113-L142 HydrophobicContact CE1-CG 4.23Å; F113-F197 HydrophobicContact CD1-CZ 4.2Å; F113-F197 HydrophobicContact CD2-CZ 4Å; F113-F197 AromaticContact CE1-CZ 3.89Å; F113-F197 HydrophobicContact CE1-CZ 3.89Å; F113-F197 AromaticContact CE2-CE1 3.97Å; F113-F197 HydrophobicContact CE2-CE1 3.97Å; F113-F197 AromaticContact CE2-CZ 3.62Å; F113-F197 HydrophobicContact CE2-CZ 3.62Å; F113-F197 HydrophobicContact CG-CZ 4.26Å; F113-F197 HydrophobicContact CZ-CE1 4.03Å; F113-F197 AromaticContact CZ-CZ 3.56Å; F113-F197 HydrophobicContact CZ-CZ 3.56Å; F113-F201 AromaticContact CE1-CD2 3.69Å; F113-F201 HydrophobicContact CE1-CD2 3.69Å; F113-F201 AromaticContact CE1-CE2 3.96Å; F113-F201 HydrophobicContact CE1-CE2 3.96Å; F113-F201 HydrophobicContact CE1-CG 4.47Å; F113-F201 AromaticContact CZ-CD2 3.47Å; F113-F201 HydrophobicContact CZ-CD2 3.47Å; F113-F201 VanDerWaalsContact CZ-CD2 3.47Å; F113-F201 AromaticContact CZ-CE2 3.61Å; F113-F201 HydrophobicContact CZ-CE2 3.61Å; F113-F201 AromaticContact CZ-CG 3.97Å; F113-F201 HydrophobicContact CZ-CG 3.97Å; F113-F201 HydrophobicContact CZ-CZ 4.22Å
114L93.7Very high85.9Confident2 Ų222.3 Ų22.31%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-98.3108175.4-177.767.7000109.5L21 V116 T126 C129 I130 M141 L142 I143 V144L21-L114 HydrophobicContact CB-CD1 4.19Å; L114-V116 HydrophobicContact CD2-CG2 4.19Å; L114-V116 HydrophobicContact CG-CG2 3.98Å; L114-T126 HydrophobicContact CD1-CG2 4.1Å; L114-T126 HydrophobicContact CD2-CG2 4.13Å; L114-T126 HydrophobicContact CG-CG2 4.35Å; L114-C129 HydrophobicContact CD1-CB 3.78Å; L114-I130 HydrophobicContact CD2-CD1 4.05Å; L114-I130 HydrophobicContact CD2-CG1 3.56Å; L114-M141 HydrophobicContact CB-SD 4.11Å; L114-M141 HydrophobicContact CD2-SD 4.36Å; L114-L142 PolarHBondContact N-O 2.8Å; L114-I143 HydrophobicContact CB-CG1 4.29Å; L114-I143 HydrophobicContact CD2-CD1 4.17Å; L114-I143 HydrophobicContact CD2-CG1 4.39Å; L114-I143 WeakPolarHBondContact O-CA 3.32Å; L114-V144 PolarHBondContact O-N 2.85Å
115V94.5Very high86.6Confident0 Ų023.6 Ų23.60%012%0.118CC..EExtended strand (participates in β ladder)trans-89.1117.4178.6-170.30000109.7I20 L21 G22 S26 K28 F31 V144 N146I20-V115 HydrophobicContact CG2-CG2 3.78Å; L21-V115 PolarHBondContact O-N 2.8Å; G22-V115 WeakPolarHBondContact CA-O 3.38Å; S26-V115 WeakPolarHBondContact CB-O 3.4Å; S26-V115 WeakPolarHBondContact O-CG1 3.45Å; S26-V115 PolarHBondContact OG-O 3.15Å; S26-V115 VanDerWaalsContact OG-O 3.08Å; K28-V115 HydrophobicContact CG-CB 4.17Å; K28-V115 HydrophobicContact CG-CG2 4.26Å; F31-V115 HydrophobicContact CD1-CG2 3.8Å; F31-V115 HydrophobicContact CE1-CG2 4.34Å; F31-V115 HydrophobicContact CG-CG2 4.3Å; V115-V144 HydrophobicContact CG2-CB 4.37Å; V115-N146 HydrophobicContact CG1-CB 3.9Å
116V95.3Very high87.6Confident1 Ų123.6 Ų23.61%0.00612%0.118CC..EExtended strand (participates in β ladder)trans-117.4129.3-177.3-177.50000108.9L114 I118 G121 T126 I143 V144 L145 N146 I167L114-V116 HydrophobicContact CD2-CG2 4.19Å; L114-V116 HydrophobicContact CG-CG2 3.98Å; V116-I118 PolarHBondContact O-N 3.14Å; V116-G121 WeakPolarHBondContact CG1-O 3.22Å; V116-T126 HydrophobicContact CG2-CG2 4Å; V116-I143 HydrophobicContact CG2-CG2 3.96Å; V116-V144 PolarHBondContact N-O 2.88Å; V116-L145 HydrophobicContact CB-CD2 4.16Å; V116-L145 HydrophobicContact CG1-CD2 4.49Å; V116-L145 CarbonylContact O-C 3.59Å; V116-N146 PolarHBondContact O-N 2.9Å; V116-I167 HydrophobicContact CG1-CD1 4.18Å
117D94.9Very high88.2Confident3 Ų325.4 Ų25.42%0.01613%0.133CC..EExtended strand (participates in β ladder)trans-68.4118168.5-178.4-42.1000108.6Q119 K120 G121 K147D117-Q119 VanDerWaalsContact C-N 3.28Å; D117-Q119 PolarHBondContact O-N 3.1Å; D117-Q119 PolarHBondContact OD1-N 3.21Å; D117-Q119 VanDerWaalsContact OD1-N 3.07Å; D117-K120 HydrophobicContact CB-CB 4.22Å; D117-K120 HydrophobicContact CB-CG 4.45Å; D117-K120 PolarHBondContact O-N 3.2Å; D117-K120 PolarHBondContact OD1-N 3.02Å; D117-G121 PolarHBondContact O-N 3.45Å; D117-K147 WeakPolarHBondContact OD2-CD 3.36Å; D117-K147 WeakPolarHBondContact OD2-CE 3.34Å; D117-K147 IonicContact OD2-NZ 3.74Å; D117-K147 PolarHBondContact OD2-NZ 2.84Å
118I95.5Very high88.8Confident1 Ų123.1 Ų23.11%0.00512%0.122CC..THydrogen-bonded Turntrans-66.1-28.9-170.5-161.9165.1000113.4V116 L145 N146 K147 V148 L151 I160 T163V116-I118 PolarHBondContact O-N 3.14Å; I118-L145 HydrophobicContact CB-CB 4.36Å; I118-L145 HydrophobicContact CD1-CB 3.87Å; I118-L145 HydrophobicContact CD1-CD1 4.33Å; I118-L145 HydrophobicContact CG1-CB 4.17Å; I118-N146 WeakPolarHBondContact CB-O 3.41Å; I118-N146 VanDerWaalsContact CG2-O 3.29Å; I118-N146 WeakPolarHBondContact CG2-O 3.33Å; I118-N146 PolarHBondContact N-O 3.13Å; I118-K147 WeakPolarHBondContact CG2-O 3.41Å; I118-V148 HydrophobicContact CD1-CG2 3.89Å; I118-L151 HydrophobicContact CD1-CD1 3.85Å; I118-L151 HydrophobicContact CG1-CD1 4.2Å; I118-L151 HydrophobicContact CG2-CD1 3.89Å; I118-L151 HydrophobicContact CG2-CD2 4.12Å; I118-L151 HydrophobicContact CG2-CG 3.92Å; I118-I160 HydrophobicContact CD1-CB 4.32Å; I118-I160 HydrophobicContact CD1-CG1 3.6Å; I118-T163 HydrophobicContact CG1-CG2 4.13Å; I118-T163 PolarHBondContact O-OG1 3.05Å
119Q92.7Very high89.4Confident114 Ų11423.3 Ų23.353%0.53312%0.124SC..THydrogen-bonded Turntrans-73.8-38.7177-70.5-172.9-2500111.2D117 T150 L151D117-Q119 VanDerWaalsContact C-N 3.28Å; D117-Q119 PolarHBondContact O-N 3.1Å; D117-Q119 PolarHBondContact OD1-N 3.21Å; D117-Q119 VanDerWaalsContact OD1-N 3.07Å; Q119-T150 WeakPolarHBondContact CG-OG1 3.28Å; Q119-T150 PolarHBondContact NE2-O 2.91Å; Q119-T150 PolarHBondContact NE2-OG1 3.34Å; Q119-T150 VanDerWaalsContact NE2-OG1 3.13Å; Q119-L151 HydrophobicContact CG-CD2 3.79Å
120K92.6Very high89.5Confident110 Ų11023.4 Ų23.448%0.47813%0.125SC..THydrogen-bonded Turntrans-89.1-26.4-174.6-59.2-177.1-175.5177.50113.2D117 Q123D117-K120 HydrophobicContact CB-CB 4.22Å; D117-K120 HydrophobicContact CB-CG 4.45Å; D117-K120 PolarHBondContact O-N 3.2Å; D117-K120 PolarHBondContact OD1-N 3.02Å; K120-Q123 HydrophobicContact CB-CG 4.03Å
121G92.1Very high89.3Confident4 Ų423 Ų234%0.04112%0.123CC..  trans63.2-140.1-17700000112.9V116 D117 Q123V116-G121 WeakPolarHBondContact CG1-O 3.22Å; D117-G121 PolarHBondContact O-N 3.45Å; G121-Q123 PolarHBondContact O-N 3.21Å
122I89.7Confident88.8Confident46 Ų4623.1 Ų23.124%0.23612%0.123CC..SBendtrans-75.2110.8-178.7-59.9178.8000110.1T126 A127 I130 I167 A170I122-T126 HydrophobicContact CG2-CG2 4.46Å; I122-A127 HydrophobicContact CG2-CB 4.26Å; I122-I130 HydrophobicContact CD1-CD1 4.32Å; I122-I167 HydrophobicContact CD1-CG1 4.32Å; I122-I167 HydrophobicContact CG1-CG1 4.14Å; I122-A170 HydrophobicContact CD1-CB 3.35Å
123Q86.8Confident88.5Confident34 Ų3423.2 Ų23.216%0.15912%0.124CC..  trans-98.3167172.7-62.4-178-89.600110.8H23 K120 G121 Q125 T126 A127H23-Q123 HydrophobicContact CB-CB 4.29Å; H23-Q123 PolarHBondContact CD2-NE2 2.84Å; H23-Q123 PolarHBondContact CD2-OE1 2.83Å; H23-Q123 PolarHBondContact NE2-NE2 3.02Å; H23-Q123 VanDerWaalsContact NE2-NE2 3.16Å; K120-Q123 HydrophobicContact CB-CG 4.03Å; G121-Q123 PolarHBondContact O-N 3.21Å; Q123-Q125 VanDerWaalsContact C-N 3.34Å; Q123-Q125 PolarHBondContact O-N 3.32Å; Q123-T126 WeakPolarHBondContact O-CA 3.41Å; Q123-T126 VanDerWaalsContact O-CB 3.27Å; Q123-T126 WeakPolarHBondContact O-CB 3.32Å; Q123-T126 PolarHBondContact O-N 3.1Å; Q123-A127 PolarHBondContact O-N 3.41Å
124P80.8Confident88Confident61 Ų6125 Ų2540%0.39613%0.134SC..Hα-helixtrans-53.5-43.9-176.4-30.236.6000114.6A127 D128P124-A127 WeakPolarHBondContact O-CB 3.31Å; P124-A127 PolarHBondContact O-N 3.41Å; P124-D128 PolarHBondContact O-N 2.95Å; P124-D128 VanDerWaalsContact O-N 3.08Å
125Q81.1Confident87.2Confident26 Ų2625.1 Ų25.112%0.12113%0.134CC..Hα-helixtrans-73.4-29177.8-55.4167.7-7.200112.2H23 G94 Q123 A127 D128 C129H23-Q125 HydrophobicContact CB-CB 4.49Å; H23-Q125 VanDerWaalsContact CE1-CD 3.5Å; H23-Q125 PolarHBondContact CE1-OE1 2.62Å; H23-Q125 WeakPolarHBondContact ND1-CB 3.42Å; H23-Q125 WeakPolarHBondContact ND1-CG 3.41Å; H23-Q125 PolarHBondContact ND1-OE1 3.46Å; G94-Q125 VanDerWaalsContact O-CD 3.22Å; G94-Q125 PolarHBondContact O-OE1 2.9Å; Q123-Q125 VanDerWaalsContact C-N 3.34Å; Q123-Q125 PolarHBondContact O-N 3.32Å; Q125-A127 VanDerWaalsContact C-N 3.27Å; Q125-A127 PolarHBondContact O-N 2.69Å; Q125-D128 PolarHBondContact O-N 3.08Å; Q125-C129 WeakPolarHBondContact O-CB 3.36Å; Q125-C129 PolarHBondContact O-N 3.33Å; Q125-C129 PolarHBondContact O-SG 3.25Å
126T86.3Confident86.3Confident1 Ų125.5 Ų25.51%0.00614%0.136CC..Hα-helixtrans-61.5-40.7171-48.90000110L114 V116 I122 Q123 C129 I130L114-T126 HydrophobicContact CD1-CG2 4.1Å; L114-T126 HydrophobicContact CD2-CG2 4.13Å; L114-T126 HydrophobicContact CG-CG2 4.35Å; V116-T126 HydrophobicContact CG2-CG2 4Å; I122-T126 HydrophobicContact CG2-CG2 4.46Å; Q123-T126 WeakPolarHBondContact O-CA 3.41Å; Q123-T126 VanDerWaalsContact O-CB 3.27Å; Q123-T126 WeakPolarHBondContact O-CB 3.32Å; Q123-T126 PolarHBondContact O-N 3.1Å; T126-C129 WeakPolarHBondContact O-CB 3.43Å; T126-C129 PolarHBondContact O-N 3.03Å; T126-I130 HydrophobicContact CG2-CD1 4.33Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.47Å
127A84.7Confident85.2Confident41 Ų4130.7 Ų30.734%0.33916%0.155SC..Hα-helixtrans-63.9-45.417500000111.9I122 Q123 P124 Q125 C129 I130 V131I122-A127 HydrophobicContact CG2-CB 4.26Å; Q123-A127 PolarHBondContact O-N 3.41Å; P124-A127 WeakPolarHBondContact O-CB 3.31Å; P124-A127 PolarHBondContact O-N 3.41Å; Q125-A127 VanDerWaalsContact C-N 3.27Å; Q125-A127 PolarHBondContact O-N 2.69Å; A127-C129 VanDerWaalsContact C-N 3.27Å; A127-C129 PolarHBondContact O-N 2.84Å; A127-I130 PolarHBondContact O-N 3.49Å; A127-V131 WeakPolarHBondContact O-CG2 3.28Å; A127-V131 PolarHBondContact O-N 2.85Å
128D81.3Confident84.1Confident8 Ų831 Ų314%0.04316%0.157CC..Hα-helixtrans-58.6-39.8172.9-76.9-21000111.2F99 P124 Q125 V131 L132 R419F99-D128 HydrophobicContact CE1-CB 4.08Å; F99-D128 HydrophobicContact CZ-CB 3.99Å; P124-D128 PolarHBondContact O-N 2.95Å; P124-D128 VanDerWaalsContact O-N 3.08Å; Q125-D128 PolarHBondContact O-N 3.08Å; D128-V131 WeakPolarHBondContact O-CB 3.42Å; D128-V131 PolarHBondContact O-N 3.44Å; D128-L132 VanDerWaalsContact O-CG 3.29Å; D128-L132 WeakPolarHBondContact O-CG 3.41Å; D128-L132 PolarHBondContact O-N 2.89Å; D128-R419 IonicContact OD2-NH2 2.79Å; D128-R419 PolarHBondContact OD2-NH2 2.89Å; D128-R419 VanDerWaalsContact OD2-NH2 3.09Å
129C85Confident83.2Confident11 Ų1135 Ų357%0.07419%0.186CC..Hα-helixtrans-64.8-40176.1-69.60000113L21 L114 Q125 T126 A127 V131 L132 A133L21-C129 HydrophobicContact CB-CB 3.9Å; L21-C129 HydrophobicContact CD1-CB 4.18Å; L114-C129 HydrophobicContact CD1-CB 3.78Å; Q125-C129 WeakPolarHBondContact O-CB 3.36Å; Q125-C129 PolarHBondContact O-N 3.33Å; Q125-C129 PolarHBondContact O-SG 3.25Å; T126-C129 WeakPolarHBondContact O-CB 3.43Å; T126-C129 PolarHBondContact O-N 3.03Å; A127-C129 VanDerWaalsContact C-N 3.27Å; A127-C129 PolarHBondContact O-N 2.84Å; C129-V131 VanDerWaalsContact C-N 3.32Å; C129-L132 PolarHBondContact O-N 3.1Å; C129-A133 WeakPolarHBondContact O-CB 3.25Å; C129-A133 PolarHBondContact O-N 2.85Å
130I86.3Confident82.9Confident12 Ų1232.9 Ų32.96%0.06218%0.175CC..Hα-helixtrans-63.4-42.4175-69.3161000110.2L114 I122 T126 A127 A133 N134 L171 T174L114-I130 HydrophobicContact CD2-CD1 4.05Å; L114-I130 HydrophobicContact CD2-CG1 3.56Å; I122-I130 HydrophobicContact CD1-CD1 4.32Å; T126-I130 HydrophobicContact CG2-CD1 4.33Å; T126-I130 WeakPolarHBondContact O-CG1 3.47Å; T126-I130 PolarHBondContact O-N 3.47Å; A127-I130 PolarHBondContact O-N 3.49Å; I130-A133 PolarHBondContact O-N 2.92Å; I130-N134 PolarHBondContact O-N 3.24Å; I130-L171 HydrophobicContact CD1-CD2 3.95Å; I130-L171 HydrophobicContact CG1-CD2 4.17Å; I130-L171 HydrophobicContact CG2-CD2 3.57Å; I130-T174 HydrophobicContact CG2-CG2 4.5Å
131V83.8Confident82.9Confident9 Ų927.9 Ų27.96%0.05515%0.153CC..Hα-helixtrans-61.2-47.5174.8172.40000110.1A127 D128 C129 A133 N134 I135 V316 Y318 I420A127-V131 WeakPolarHBondContact O-CG2 3.28Å; A127-V131 PolarHBondContact O-N 2.85Å; D128-V131 WeakPolarHBondContact O-CB 3.42Å; D128-V131 PolarHBondContact O-N 3.44Å; C129-V131 VanDerWaalsContact C-N 3.32Å; V131-A133 PolarHBondContact O-N 2.81Å; V131-N134 WeakPolarHBondContact O-CB 3.37Å; V131-N134 PolarHBondContact O-N 2.81Å; V131-N134 VanDerWaalsContact O-N 3.17Å; V131-I135 HydrophobicContact CG1-CD1 3.64Å; V131-I135 HydrophobicContact CG1-CG1 4.42Å; V131-I135 WeakPolarHBondContact O-CG1 3.19Å; V131-I135 PolarHBondContact O-N 3.09Å; V131-V316 HydrophobicContact CG1-CG1 3.79Å; V131-V316 HydrophobicContact CG1-CG2 4.12Å; V131-V316 HydrophobicContact CG2-CG1 4.31Å; V131-Y318 HydrophobicContact CG2-CD2 3.45Å; V131-Y318 VanDerWaalsContact CG2-CD2 3.45Å; V131-Y318 HydrophobicContact CG2-CE2 3.78Å; V131-Y318 HydrophobicContact CG2-CG 4.46Å; V131-I420 HydrophobicContact CB-CD1 4.47Å; V131-I420 HydrophobicContact CG1-CB 4.43Å; V131-I420 HydrophobicContact CG1-CD1 3.92Å
132L83.3Confident83Confident2 Ų227.7 Ų27.71%0.0115%0.151CC..Hα-helixtrans-59.3-46.5176.7-72.7166.4000112F99 V102 D128 C129 N134 I135 M136 L405 I420F99-L132 HydrophobicContact CD1-CD1 3.59Å; F99-L132 HydrophobicContact CD1-CD2 4.38Å; F99-L132 HydrophobicContact CD1-CG 4.46Å; F99-L132 HydrophobicContact CE1-CD1 3.69Å; V102-L132 HydrophobicContact CB-CD1 4.47Å; V102-L132 HydrophobicContact CG1-CD1 4.11Å; D128-L132 VanDerWaalsContact O-CG 3.29Å; D128-L132 WeakPolarHBondContact O-CG 3.41Å; D128-L132 PolarHBondContact O-N 2.89Å; C129-L132 PolarHBondContact O-N 3.1Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.11Å; L132-I135 CarbonylContact O-C 3.45Å; L132-I135 WeakPolarHBondContact O-CA 3.26Å; L132-I135 WeakPolarHBondContact O-CB 3.26Å; L132-I135 PolarHBondContact O-N 2.84Å; L132-M136 WeakPolarHBondContact O-CB 3.47Å; L132-M136 WeakPolarHBondContact O-CG 3.36Å; L132-M136 PolarHBondContact O-N 2.85Å; L132-L405 HydrophobicContact CD2-CD1 3.67Å; L132-I420 HydrophobicContact CD2-CD1 3.77Å; L132-I420 HydrophobicContact CG-CD1 3.87Å
133A85.1Confident83.3Confident1 Ų125.5 Ų25.51%0.00814%0.14CC..Hα-helixtrans-56.2-44.7175.500000110.7V112 C129 I130 V131 I135 M136 R137 P138 M141 F176V112-A133 HydrophobicContact CB-CB 4.44Å; V112-A133 HydrophobicContact CG1-CB 4.27Å; V112-A133 HydrophobicContact CG2-CB 4.31Å; C129-A133 WeakPolarHBondContact O-CB 3.25Å; C129-A133 PolarHBondContact O-N 2.85Å; I130-A133 PolarHBondContact O-N 2.92Å; V131-A133 PolarHBondContact O-N 2.81Å; A133-I135 PolarHBondContact O-N 2.92Å; A133-M136 PolarHBondContact O-N 2.82Å; A133-R137 PolarHBondContact O-N 3.4Å; A133-P138 WeakPolarHBondContact O-CD 3.08Å; A133-M141 HydrophobicContact CB-SD 4.18Å; A133-F176 HydrophobicContact CB-CE2 3.89Å; A133-F176 HydrophobicContact CB-CZ 4.05Å
134N81.8Confident83.8Confident39 Ų3923.9 Ų23.921%0.20913%0.132CC..Hα-helixtrans-64.9-25177.5-168.661.6000113.3I130 V131 L132 R137 T175 F176I130-N134 PolarHBondContact O-N 3.24Å; V131-N134 WeakPolarHBondContact O-CB 3.37Å; V131-N134 PolarHBondContact O-N 2.81Å; V131-N134 VanDerWaalsContact O-N 3.17Å; L132-N134 VanDerWaalsContact C-N 3.27Å; L132-N134 PolarHBondContact O-N 3.11Å; N134-R137 WeakPolarHBondContact O-CG 3.44Å; N134-T175 PolarHBondContact OD1-OG1 3.44Å; N134-F176 HydrophobicContact CB-CE2 4.01Å
135I78.4Confident84.5Confident3 Ų321 Ų212%0.01511%0.114CC..Hα-helixtrans-84.2-45.5178.3-65.4168.4000111.7V131 L132 A133 R137 V316 L405 I420 Y423V131-I135 HydrophobicContact CG1-CD1 3.64Å; V131-I135 HydrophobicContact CG1-CG1 4.42Å; V131-I135 WeakPolarHBondContact O-CG1 3.19Å; V131-I135 PolarHBondContact O-N 3.09Å; L132-I135 CarbonylContact O-C 3.45Å; L132-I135 WeakPolarHBondContact O-CA 3.26Å; L132-I135 WeakPolarHBondContact O-CB 3.26Å; L132-I135 PolarHBondContact O-N 2.84Å; A133-I135 PolarHBondContact O-N 2.92Å; I135-R137 PolarHBondContact O-N 3.37Å; I135-V316 HydrophobicContact CD1-CG2 4.35Å; I135-L405 HydrophobicContact CB-CD2 4.42Å; I135-L405 HydrophobicContact CD1-CD2 3.49Å; I135-L405 VanDerWaalsContact CD1-CD2 3.49Å; I135-L405 HydrophobicContact CG1-CD2 4.42Å; I135-L405 HydrophobicContact CG2-CD2 3.69Å; I135-I420 HydrophobicContact CD1-CG2 3.96Å; I135-Y423 HydrophobicContact CB-CD2 4.04Å; I135-Y423 HydrophobicContact CB-CE2 4.36Å; I135-Y423 HydrophobicContact CB-CG 4.23Å; I135-Y423 HydrophobicContact CD1-CD1 3.81Å; I135-Y423 HydrophobicContact CD1-CD2 4.5Å; I135-Y423 HydrophobicContact CD1-CE1 4.4Å; I135-Y423 HydrophobicContact CD1-CG 3.86Å; I135-Y423 HydrophobicContact CG1-CD1 3.65Å; I135-Y423 HydrophobicContact CG1-CD2 3.69Å; I135-Y423 HydrophobicContact CG1-CE1 3.9Å; I135-Y423 HydrophobicContact CG1-CE2 3.9Å; I135-Y423 HydrophobicContact CG1-CG 3.52Å; I135-Y423 HydrophobicContact CG2-CD2 3.62Å; I135-Y423 HydrophobicContact CG2-CE2 4.37Å; I135-Y423 HydrophobicContact CG2-CG 3.83Å
136M75.9Confident85.2Confident8 Ų820 Ų204%0.03911%0.109CC..Hα-helixtrans-55.1-31.5171.4-64.8170.276.300109.8L21 V102 V109 V112 L132 A133L21-M136 HydrophobicContact CD1-SD 4.47Å; V102-M136 HydrophobicContact CG1-SD 3.95Å; V109-M136 HydrophobicContact CB-CE 3.54Å; V109-M136 HydrophobicContact CG1-CE 3.76Å; V109-M136 HydrophobicContact CG2-CE 3.69Å; V112-M136 HydrophobicContact CG2-CE 4.44Å; V112-M136 HydrophobicContact CG2-SD 4.42Å; L132-M136 WeakPolarHBondContact O-CB 3.47Å; L132-M136 WeakPolarHBondContact O-CG 3.36Å; L132-M136 PolarHBondContact O-N 2.85Å; A133-M136 PolarHBondContact O-N 2.82Å
137R72Confident85.6Confident111 Ų11122.3 Ų22.342%0.41912%0.119SC..  trans51.652.1-176.5-68.1-178.8164.5-158.8-15.9111.5A133 N134 I135A133-R137 PolarHBondContact O-N 3.4Å; N134-R137 WeakPolarHBondContact O-CG 3.44Å; I135-R137 PolarHBondContact O-N 3.37Å
138P71.4Confident86Confident9 Ų921 Ų216%0.05811%0.107CC..  trans-60.9145.3165.833.7-33.6000107.2D110 V112 A133 K140 F176D110-P138 VanDerWaalsContact O-CB 3.22Å; D110-P138 WeakPolarHBondContact O-CB 3Å; V112-P138 HydrophobicContact CB-CG 4.35Å; V112-P138 HydrophobicContact CG2-CB 4.43Å; V112-P138 HydrophobicContact CG2-CG 3.91Å; A133-P138 WeakPolarHBondContact O-CD 3.08Å; P138-K140 WeakPolarHBondContact CB-O 3.39Å; P138-K140 PolarHBondContact O-N 3.34Å; P138-K140 VanDerWaalsContact O-N 3.14Å; P138-F176 HydrophobicContact CG-CE1 4.33Å; P138-F176 HydrophobicContact CG-CZ 4.18Å
139S75.1Confident86.5Confident86 Ų8623.8 Ų23.860%0.60112%0.122SC*.SBendtrans-62.4-26.2179.6-51.60000110.9Y206S139-Y206 VanDerWaalsContact CB-OH 3.22Å; S139-Y206 WeakPolarHBondContact CB-OH 3.34Å; S139-Y206 PolarHBondContact OG-OH 3.35Å; S139-Y206 VanDerWaalsContact OG-OH 3.06Å
140K87.2Confident86.9Confident69 Ų6925.8 Ų25.830%0.313%0.134SC..EExtended strand (participates in β ladder)trans-143.1158-178.9-65.2-172.5-174.7177.80113M111 V112 P138 N204 Y206M111-K140 HydrophobicContact CE-CB 3.87Å; M111-K140 HydrophobicContact CE-CD 4.29Å; M111-K140 HydrophobicContact CG-CB 4.34Å; M111-K140 WeakPolarHBondContact CG-O 3.42Å; V112-K140 PolarHBondContact N-O 3.02Å; P138-K140 WeakPolarHBondContact CB-O 3.39Å; P138-K140 PolarHBondContact O-N 3.34Å; P138-K140 VanDerWaalsContact O-N 3.14Å; K140-N204 HydrophobicContact CD-CB 4.1Å; K140-N204 WeakPolarHBondContact CD-O 3.39Å; K140-N204 PolarHBondContact NZ-O 2.79Å; K140-Y206 HydrophobicContact CB-CE1 4.47Å; K140-Y206 HydrophobicContact CD-CD1 4.22Å; K140-Y206 HydrophobicContact CD-CE1 4.48Å; K140-Y206 HydrophobicContact CG-CE1 4.33Å
141M92.8Very high87.2Confident5 Ų525.8 Ų25.83%0.02513%0.134CC..EExtended strand (participates in β ladder)trans-131.4154.1170.5-176.6173.77200108.1V112 L114 A133 I143 L171 F176 V179V112-M141 HydrophobicContact CB-CG 4.2Å; V112-M141 HydrophobicContact CG1-CG 4.17Å; V112-M141 HydrophobicContact CG1-SD 4.37Å; V112-M141 CarbonylContact O-C 3.51Å; V112-M141 VanDerWaalsContact O-CA 3.23Å; V112-M141 WeakPolarHBondContact O-CA 3.41Å; V112-M141 WeakPolarHBondContact O-CG 3.49Å; L114-M141 HydrophobicContact CB-SD 4.11Å; L114-M141 HydrophobicContact CD2-SD 4.36Å; A133-M141 HydrophobicContact CB-SD 4.18Å; M141-I143 HydrophobicContact CE-CD1 3.99Å; M141-I143 HydrophobicContact CE-CG1 4.03Å; M141-L171 HydrophobicContact CE-CD1 4.21Å; M141-F176 HydrophobicContact CB-CD1 3.73Å; M141-F176 HydrophobicContact CB-CE1 3.9Å; M141-F176 HydrophobicContact CB-CG 4.32Å; M141-F176 HydrophobicContact CE-CB 3.6Å; M141-F176 HydrophobicContact CE-CD1 4.28Å; M141-F176 HydrophobicContact CE-CD2 3.96Å; M141-F176 HydrophobicContact CE-CG 3.69Å; M141-F176 HydrophobicContact SD-CD2 4.33Å; M141-F176 HydrophobicContact SD-CG 4.36Å; M141-V179 VanDerWaalsContact C-CG2 3.47Å; M141-V179 HydrophobicContact CB-CG2 3.89Å; M141-V179 HydrophobicContact CE-CB 4.3Å; M141-V179 HydrophobicContact CE-CG1 4.3Å; M141-V179 HydrophobicContact CE-CG2 3.87Å; M141-V179 HydrophobicContact CG-CG2 4.16Å; M141-V179 WeakPolarHBondContact O-CG2 3.23Å
142L95Very high87.7Confident0 Ų027.9 Ų27.90%015%0.147CC..EExtended strand (participates in β ladder)trans-126.3142.5164.2-63.9177.7000108.8M111 V112 F113 L114 P180 F197 V200 F201 N204M111-L142 HydrophobicContact SD-CD1 4.05Å; M111-L142 HydrophobicContact SD-CG 4.07Å; V112-L142 PolarHBondContact O-N 3.18Å; F113-L142 CarbonylContact C-O 3.57Å; F113-L142 WeakPolarHBondContact CA-O 3.31Å; F113-L142 HydrophobicContact CD1-CB 3.92Å; F113-L142 HydrophobicContact CD1-CD1 4.25Å; F113-L142 HydrophobicContact CD1-CG 4.39Å; F113-L142 HydrophobicContact CE1-CB 4.22Å; F113-L142 HydrophobicContact CE1-CD1 3.68Å; F113-L142 HydrophobicContact CE1-CG 4.23Å; L114-L142 PolarHBondContact N-O 2.8Å; L142-P180 HydrophobicContact CD2-CB 3.64Å; L142-P180 HydrophobicContact CD2-CG 3.58Å; L142-F197 HydrophobicContact CD1-CE2 4.31Å; L142-F197 HydrophobicContact CD1-CZ 4.37Å; L142-V200 HydrophobicContact CD2-CG1 4.05Å; L142-F201 HydrophobicContact CD1-CB 3.89Å; L142-F201 HydrophobicContact CD1-CD2 3.93Å; L142-F201 HydrophobicContact CD1-CG 4.39Å; L142-N204 HydrophobicContact CD2-CB 4.4Å
143I95.9Very high88.1Confident0 Ų032.5 Ų32.50%018%0.177CC..EExtended strand (participates in β ladder)trans-105.9127.2175.7-58.9-168.4000109.4L114 V116 M141 L145 I167 L171 V179 P180 M181 V182L114-I143 HydrophobicContact CB-CG1 4.29Å; L114-I143 HydrophobicContact CD2-CD1 4.17Å; L114-I143 HydrophobicContact CD2-CG1 4.39Å; L114-I143 WeakPolarHBondContact O-CA 3.32Å; V116-I143 HydrophobicContact CG2-CG2 3.96Å; M141-I143 HydrophobicContact CE-CD1 3.99Å; M141-I143 HydrophobicContact CE-CG1 4.03Å; I143-L145 HydrophobicContact CG2-CD2 3.69Å; I143-L145 HydrophobicContact CG2-CG 4.39Å; I143-I167 HydrophobicContact CD1-CG2 3.67Å; I143-L171 HydrophobicContact CD1-CD1 3.64Å; I143-V179 HydrophobicContact CD1-CG1 3.53Å; I143-V179 HydrophobicContact CG1-CG1 3.79Å; I143-V179 HydrophobicContact CG1-CG2 4.08Å; I143-P180 PolarHBondContact N-O 3Å; I143-M181 HydrophobicContact CB-CB 4.44Å; I143-M181 HydrophobicContact CB-CG 4.08Å; I143-M181 HydrophobicContact CD1-CE 4.17Å; I143-M181 CarbonylContact O-C 3.56Å; I143-M181 WeakPolarHBondContact O-CA 3.46Å; I143-V182 PolarHBondContact O-N 3.34Å
144V96.3Very high88.6Confident0 Ų040 Ų400%021%0.212CC..EExtended strand (participates in β ladder)trans-101.8113.7173179.70000107.6F31 L114 V115 V116 N146 M184 F197F31-V144 HydrophobicContact CD2-CG1 4.16Å; F31-V144 HydrophobicContact CD2-CG2 4.48Å; F31-V144 HydrophobicContact CE1-CG2 4.13Å; F31-V144 HydrophobicContact CE2-CG1 4.17Å; F31-V144 HydrophobicContact CE2-CG2 3.83Å; F31-V144 HydrophobicContact CZ-CG2 3.63Å; L114-V144 PolarHBondContact O-N 2.85Å; V115-V144 HydrophobicContact CG2-CB 4.37Å; V116-V144 PolarHBondContact N-O 2.88Å; V144-N146 HydrophobicContact CG1-CB 4.44Å; V144-N146 PolarHBondContact O-N 3.34Å; V144-M184 HydrophobicContact CG1-CG 3.59Å; V144-M184 HydrophobicContact CG1-SD 3.47Å; V144-M184 WeakPolarHBondContact CG1-SD 3.49Å; V144-F197 HydrophobicContact CG2-CD2 4Å; V144-F197 HydrophobicContact CG2-CE2 3.54Å; V144-F197 HydrophobicContact CG2-CZ 4.33Å
145L96.6Very high89.1Confident0 Ų041.8 Ų41.80%022%0.222CC..EExtended strand (participates in β ladder)trans-89.793.6173-51176.8000107.5V116 I118 I143 E164 I167 M181 V182 P183 M184V116-L145 HydrophobicContact CB-CD2 4.16Å; V116-L145 HydrophobicContact CG1-CD2 4.49Å; V116-L145 CarbonylContact O-C 3.59Å; I118-L145 HydrophobicContact CB-CB 4.36Å; I118-L145 HydrophobicContact CD1-CB 3.87Å; I118-L145 HydrophobicContact CD1-CD1 4.33Å; I118-L145 HydrophobicContact CG1-CB 4.17Å; I143-L145 HydrophobicContact CG2-CD2 3.69Å; I143-L145 HydrophobicContact CG2-CG 4.39Å; L145-E164 HydrophobicContact CD1-CG 3.56Å; L145-I167 HydrophobicContact CD2-CD1 3.42Å; L145-I167 VanDerWaalsContact CD2-CD1 3.42Å; L145-M181 HydrophobicContact CD1-CB 4.37Å; L145-V182 PolarHBondContact N-O 2.98Å; L145-P183 HydrophobicContact CB-CB 4.4Å; L145-P183 WeakPolarHBondContact O-CA 3.38Å; L145-M184 PolarHBondContact O-N 2.91Å; L145-M184 VanDerWaalsContact O-O 3.11Å
146N95.6Very high89.9Confident4 Ų445.5 Ų45.52%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-86.2162.7-174-169.627.2000112S26 V115 V116 I118 V144 M184 V186S26-N146 PolarHBondContact O-ND2 3.39Å; V115-N146 HydrophobicContact CG1-CB 3.9Å; V116-N146 PolarHBondContact O-N 2.9Å; I118-N146 WeakPolarHBondContact CB-O 3.41Å; I118-N146 VanDerWaalsContact CG2-O 3.29Å; I118-N146 WeakPolarHBondContact CG2-O 3.33Å; I118-N146 PolarHBondContact N-O 3.13Å; V144-N146 HydrophobicContact CG1-CB 4.44Å; V144-N146 PolarHBondContact O-N 3.34Å; N146-M184 CarbonylContact C-O 3.5Å; N146-M184 VanDerWaalsContact CA-O 3.31Å; N146-M184 WeakPolarHBondContact CA-O 3.5Å; N146-V186 WeakPolarHBondContact ND2-CG2 3.23Å; N146-V186 WeakPolarHBondContact OD1-CG2 3.29Å; N146-V186 PolarHBondContact OD1-N 3.05Å
147K94Very high90.8Very high50 Ų5049.9 Ų49.922%0.21727%0.267CS..  trans69.436.7178-51.2-173.7-171.3168.20114D25 D117 I118 D149 T150 M184D25-K147 VanDerWaalsContact O-CE 3.29Å; D25-K147 WeakPolarHBondContact O-CE 3.31Å; D25-K147 PolarHBondContact O-NZ 3.27Å; D117-K147 WeakPolarHBondContact OD2-CD 3.36Å; D117-K147 WeakPolarHBondContact OD2-CE 3.34Å; D117-K147 IonicContact OD2-NZ 3.74Å; D117-K147 PolarHBondContact OD2-NZ 2.84Å; I118-K147 WeakPolarHBondContact CG2-O 3.41Å; K147-D149 VanDerWaalsContact C-OD1 3.24Å; K147-D149 VanDerWaalsContact CA-OD1 3.26Å; K147-D149 WeakPolarHBondContact CA-OD1 3.25Å; K147-D149 PolarHBondContact O-N 2.71Å; K147-T150 HydrophobicContact CB-CG2 3.97Å; K147-T150 WeakPolarHBondContact O-CB 3.31Å; K147-T150 PolarHBondContact O-N 3.44Å; K147-T150 VanDerWaalsContact O-N 3.14Å; K147-T150 PolarHBondContact O-OG1 3.02Å; K147-M184 PolarHBondContact N-O 2.93Å
148V93.8Very high91.9Very high14 Ų1451.1 Ų51.19%0.08528%0.278CS..G310 helixtrans-62-25.6177.4174.30000112.3I118 T150 L151 R156 I160 P183 M184 S185I118-V148 HydrophobicContact CD1-CG2 3.89Å; V148-T150 PolarHBondContact O-N 2.83Å; V148-L151 WeakPolarHBondContact O-CB 3.49Å; V148-L151 PolarHBondContact O-N 2.97Å; V148-L151 VanDerWaalsContact O-N 3.12Å; V148-R156 HydrophobicContact CG1-CG 4Å; V148-R156 PolarHBondContact O-NE 2.73Å; V148-I160 HydrophobicContact CG1-CD1 4.03Å; V148-P183 HydrophobicContact CG2-CB 3.8Å; V148-M184 WeakPolarHBondContact CG2-O 3.44Å; V148-M184 PolarHBondContact N-O 2.97Å; V148-S185 PolarHBondContact N-OG 3.14Å
149D91.8Very high93Very high66 Ų6653.7 Ų53.735%0.35329%0.291SS..G310 helixtrans-61.3-30.7176.160.4-65.4000112.2K147 L151 S185K147-D149 VanDerWaalsContact C-OD1 3.24Å; K147-D149 VanDerWaalsContact CA-OD1 3.26Å; K147-D149 WeakPolarHBondContact CA-OD1 3.25Å; K147-D149 PolarHBondContact O-N 2.71Å; D149-L151 PolarHBondContact O-N 2.72Å; D149-S185 WeakPolarHBondContact CB-OG 3.31Å; D149-S185 PolarHBondContact N-OG 3.17Å; D149-S185 PolarHBondContact OD1-OG 3.06Å
150T92.6Very high94.1Very high54 Ų5450.8 Ų50.833%0.33127%0.268SS..G310 helixtrans-75.4-9.5178.769.10000113.4Q119 K147 V148Q119-T150 WeakPolarHBondContact CG-OG1 3.28Å; Q119-T150 PolarHBondContact NE2-O 2.91Å; Q119-T150 PolarHBondContact NE2-OG1 3.34Å; Q119-T150 VanDerWaalsContact NE2-OG1 3.13Å; K147-T150 HydrophobicContact CB-CG2 3.97Å; K147-T150 WeakPolarHBondContact O-CB 3.31Å; K147-T150 PolarHBondContact O-N 3.44Å; K147-T150 VanDerWaalsContact O-N 3.14Å; K147-T150 PolarHBondContact O-OG1 3.02Å; V148-T150 PolarHBondContact O-N 2.83Å
151L93.3Very high94.5Very high11 Ų1150.1 Ų50.16%0.05828%0.275CS..SBendtrans-83.2138.9176.6-61.4-179.2000110.9I118 Q119 V148 D149 R156 L159 I160I118-L151 HydrophobicContact CD1-CD1 3.85Å; I118-L151 HydrophobicContact CG1-CD1 4.2Å; I118-L151 HydrophobicContact CG2-CD1 3.89Å; I118-L151 HydrophobicContact CG2-CD2 4.12Å; I118-L151 HydrophobicContact CG2-CG 3.92Å; Q119-L151 HydrophobicContact CG-CD2 3.79Å; V148-L151 WeakPolarHBondContact O-CB 3.49Å; V148-L151 PolarHBondContact O-N 2.97Å; V148-L151 VanDerWaalsContact O-N 3.12Å; D149-L151 PolarHBondContact O-N 2.72Å; L151-R156 HydrophobicContact CB-CB 4.44Å; L151-R156 HydrophobicContact CB-CG 4.22Å; L151-R156 HydrophobicContact CD1-CG 4.38Å; L151-R156 PolarHBondContact O-NH2 2.93Å; L151-L159 HydrophobicContact CD1-CB 4.16Å; L151-L159 HydrophobicContact CD2-CB 4.48Å; L151-L159 HydrophobicContact CD2-CD1 4.13Å; L151-I160 HydrophobicContact CD1-CG1 4.01Å
152P93.8Very high94.6Very high53 Ų5353.8 Ų53.834%0.34430%0.298SS..  trans-51.9130.2173.9-23.732.1000110.6E154 D155 R156P152-E154 VanDerWaalsContact C-N 3.3Å; P152-E154 HydrophobicContact CB-CG 4.39Å; P152-E154 PolarHBondContact O-N 2.85Å; P152-D155 PolarHBondContact O-N 3.32Å; P152-R156 WeakPolarHBondContact O-CA 3.41Å; P152-R156 WeakPolarHBondContact O-CB 3.33Å; P152-R156 PolarHBondContact O-N 2.86Å
153P92.5Very high94.6Very high99 Ų9955 Ų5564%0.64331%0.305SS*.THydrogen-bonded Turntrans-56.1-41.5-178.1-26.635.1000113.4D155P153-D155 PolarHBondContact O-N 3.42Å
154E94.7Very high94.6Very high159 Ų15957.1 Ų57.174%0.74332%0.316SS*.THydrogen-bonded Turntrans-59.6-42.4178.849.6-97.9-16600113.8P152P152-E154 VanDerWaalsContact C-N 3.3Å; P152-E154 HydrophobicContact CB-CG 4.39Å; P152-E154 PolarHBondContact O-N 2.85Å
155D93.4Very high94.6Very high77 Ų7765.6 Ų65.641%0.41235%0.347SS..THydrogen-bonded Turntrans-101.6-1.5-172.3-64.9-28.1000113.5P152 P153 S157 Q158 L159P152-D155 PolarHBondContact O-N 3.32Å; P153-D155 PolarHBondContact O-N 3.42Å; D155-S157 PolarHBondContact O-N 3.35Å; D155-Q158 PolarHBondContact O-N 2.92Å; D155-Q158 VanDerWaalsContact O-N 3.07Å; D155-L159 HydrophobicContact CB-CD1 3.91Å; D155-L159 HydrophobicContact CB-CG 4.22Å; D155-L159 WeakPolarHBondContact O-CG 2.98Å; D155-L159 PolarHBondContact O-N 2.81Å
156R94.2Very high94.5Very high81 Ų8173.4 Ų73.431%0.30638%0.377SS..Hα-helixtrans-50.8-51.1-169.5-177.9175-70.6174.10.8112.9V148 L151 P152 Q158 L159 I160V148-R156 HydrophobicContact CG1-CG 4Å; V148-R156 PolarHBondContact O-NE 2.73Å; L151-R156 HydrophobicContact CB-CB 4.44Å; L151-R156 HydrophobicContact CB-CG 4.22Å; L151-R156 HydrophobicContact CD1-CG 4.38Å; L151-R156 PolarHBondContact O-NH2 2.93Å; P152-R156 WeakPolarHBondContact O-CA 3.41Å; P152-R156 WeakPolarHBondContact O-CB 3.33Å; P152-R156 PolarHBondContact O-N 2.86Å; R156-Q158 VanDerWaalsContact C-N 3.33Å; R156-Q158 PolarHBondContact O-N 2.97Å; R156-L159 PolarHBondContact O-N 3.17Å; R156-I160 HydrophobicContact CG-CD1 3.79Å; R156-I160 WeakPolarHBondContact O-CD1 3.5Å; R156-I160 WeakPolarHBondContact O-CG1 3.1Å; R156-I160 PolarHBondContact O-N 3.2Å
157S94.6Very high94.4Very high100 Ų10073.3 Ų73.370%0.69938%0.377SS*.Hα-helixtrans-62.5-40-177.7-620000112.4D155 A161D155-S157 PolarHBondContact O-N 3.35Å; S157-A161 PolarHBondContact O-N 2.89Å
158Q95.3Very high94.4Very high136 Ų13675.5 Ų75.564%0.63638%0.383SS*.Hα-helixtrans-71-40.6179.5-173.9176.31.500111.7D155 R156 A161 T162D155-Q158 PolarHBondContact O-N 2.92Å; D155-Q158 VanDerWaalsContact O-N 3.07Å; R156-Q158 VanDerWaalsContact C-N 3.33Å; R156-Q158 PolarHBondContact O-N 2.97Å; Q158-A161 PolarHBondContact O-N 2.94Å; Q158-T162 WeakPolarHBondContact O-CB 3.15Å; Q158-T162 PolarHBondContact O-N 2.72Å; Q158-T162 PolarHBondContact O-OG1 2.95Å
159L95.5Very high94.4Very high64 Ų6483.5 Ų83.534%0.33541%0.412SS..Hα-helixtrans-65.6-42.3177.1-71.9170.6000111.7L151 D155 R156 T162 T163L151-L159 HydrophobicContact CD1-CB 4.16Å; L151-L159 HydrophobicContact CD2-CB 4.48Å; L151-L159 HydrophobicContact CD2-CD1 4.13Å; D155-L159 HydrophobicContact CB-CD1 3.91Å; D155-L159 HydrophobicContact CB-CG 4.22Å; D155-L159 WeakPolarHBondContact O-CG 2.98Å; D155-L159 PolarHBondContact O-N 2.81Å; R156-L159 PolarHBondContact O-N 3.17Å; L159-T162 PolarHBondContact O-N 2.88Å; L159-T163 PolarHBondContact O-N 3.44Å; L159-T163 PolarHBondContact O-OG1 3.47Å
160I96.4Very high94.3Very high25 Ų2582.7 Ų82.713%0.12842%0.415CS..Hα-helixtrans-56.2-54.3173.5-69.1163.6000110.2I118 V148 L151 R156 T162 T163 E164 P183I118-I160 HydrophobicContact CD1-CB 4.32Å; I118-I160 HydrophobicContact CD1-CG1 3.6Å; V148-I160 HydrophobicContact CG1-CD1 4.03Å; L151-I160 HydrophobicContact CD1-CG1 4.01Å; R156-I160 HydrophobicContact CG-CD1 3.79Å; R156-I160 WeakPolarHBondContact O-CD1 3.5Å; R156-I160 WeakPolarHBondContact O-CG1 3.1Å; R156-I160 PolarHBondContact O-N 3.2Å; I160-T162 VanDerWaalsContact C-N 3.27Å; I160-T162 PolarHBondContact O-N 3.46Å; I160-T163 PolarHBondContact O-N 3.32Å; I160-E164 HydrophobicContact CG2-CG 4.44Å; I160-E164 WeakPolarHBondContact O-CG 3.41Å; I160-E164 PolarHBondContact O-N 3.18Å; I160-P183 HydrophobicContact CD1-CB 4.21Å; I160-P183 HydrophobicContact CG1-CB 4.4Å; I160-P183 HydrophobicContact CG2-CB 4.04Å; I160-P183 HydrophobicContact CG2-CG 4.02Å
161A96Very high94.2Very high54 Ų5480.2 Ų80.245%0.44640%0.399SS..Hα-helixtrans-60.6-37-178.400000112.6S157 Q158 R165S157-A161 PolarHBondContact O-N 2.89Å; Q158-A161 PolarHBondContact O-N 2.94Å; A161-R165 WeakPolarHBondContact O-CB 3.46Å; A161-R165 PolarHBondContact O-N 3Å
162T95.9Very high93.9Very high83 Ų8382.4 Ų82.451%0.50942%0.419SS..Hα-helixtrans-66-46.4177.4-59.50000111.3Q158 L159 I160 R165 R166Q158-T162 WeakPolarHBondContact O-CB 3.15Å; Q158-T162 PolarHBondContact O-N 2.72Å; Q158-T162 PolarHBondContact O-OG1 2.95Å; L159-T162 PolarHBondContact O-N 2.88Å; I160-T162 VanDerWaalsContact C-N 3.27Å; I160-T162 PolarHBondContact O-N 3.46Å; T162-R165 PolarHBondContact O-N 3.08Å; T162-R166 PolarHBondContact O-N 3.44Å
163T95.2Very high93.3Very high24 Ų2490.2 Ų90.215%0.14744%0.442CS..Hα-helixtrans-64.4-43.4177.3-66.80000111.5I118 L159 I160 R165 R166 I167I118-T163 HydrophobicContact CG1-CG2 4.13Å; I118-T163 PolarHBondContact O-OG1 3.05Å; L159-T163 PolarHBondContact O-N 3.44Å; L159-T163 PolarHBondContact O-OG1 3.47Å; I160-T163 PolarHBondContact O-N 3.32Å; T163-R165 PolarHBondContact O-N 3.1Å; T163-R166 WeakPolarHBondContact O-CB 3.41Å; T163-R166 PolarHBondContact O-N 3.23Å; T163-I167 HydrophobicContact CG2-CD1 3.85Å; T163-I167 HydrophobicContact CG2-CG1 4.45Å; T163-I167 WeakPolarHBondContact O-CG1 3.38Å; T163-I167 PolarHBondContact O-N 3.07Å
164E95.8Very high92.8Very high46 Ų4686.4 Ų86.422%0.21542%0.416CS..Hα-helixtrans-56.7-49.2174.2-77.1-174.8-173.800111.9L145 I160 R166 I167 R168 M181L145-E164 HydrophobicContact CD1-CG 3.56Å; I160-E164 HydrophobicContact CG2-CG 4.44Å; I160-E164 WeakPolarHBondContact O-CG 3.41Å; I160-E164 PolarHBondContact O-N 3.18Å; E164-R166 VanDerWaalsContact C-N 3.28Å; E164-R166 PolarHBondContact O-N 2.84Å; E164-I167 PolarHBondContact O-N 3.29Å; E164-R168 WeakPolarHBondContact O-CB 3.42Å; E164-R168 WeakPolarHBondContact O-CG 3.33Å; E164-R168 PolarHBondContact O-N 3.22Å; E164-M181 HydrophobicContact CB-SD 4.09Å; E164-M181 HydrophobicContact CG-CB 4.34Å; E164-M181 HydrophobicContact CG-SD 3.96Å
165R95Very high92.2Very high177 Ų17783.9 Ų83.967%0.66841%0.412SS*.Hα-helixtrans-59.7-40178.2-178.4-179.8-87.9179.2-5.6111.5A161 T162 T163 R169A161-R165 WeakPolarHBondContact O-CB 3.46Å; A161-R165 PolarHBondContact O-N 3Å; T162-R165 PolarHBondContact O-N 3.08Å; T163-R165 PolarHBondContact O-N 3.1Å; R165-R169 WeakPolarHBondContact O-CB 3.01Å; R165-R169 PolarHBondContact O-N 2.79Å
166R94.5Very high91.8Very high165 Ų16580.8 Ų80.862%0.62340%0.395SS*.Hα-helixtrans-64.1-45176.9-174.2178.6178.2-175.4-0.7111.5T162 T163 E164 R169 A170T162-R166 PolarHBondContact O-N 3.44Å; T163-R166 WeakPolarHBondContact O-CB 3.41Å; T163-R166 PolarHBondContact O-N 3.23Å; E164-R166 VanDerWaalsContact C-N 3.28Å; E164-R166 PolarHBondContact O-N 2.84Å; R166-R169 PolarHBondContact O-N 3.45Å; R166-A170 PolarHBondContact O-N 3.42Å; R166-A170 VanDerWaalsContact O-N 3.1Å
167I94.5Very high91.4Very high2 Ų284.5 Ų84.51%0.0141%0.409CS..Hα-helixtrans-65.4-45.9177.8-65.6169.1000110.4V116 I122 I143 L145 T163 E164 R169 A170 L171 M181V116-I167 HydrophobicContact CG1-CD1 4.18Å; I122-I167 HydrophobicContact CD1-CG1 4.32Å; I122-I167 HydrophobicContact CG1-CG1 4.14Å; I143-I167 HydrophobicContact CD1-CG2 3.67Å; L145-I167 HydrophobicContact CD2-CD1 3.42Å; L145-I167 VanDerWaalsContact CD2-CD1 3.42Å; T163-I167 HydrophobicContact CG2-CD1 3.85Å; T163-I167 HydrophobicContact CG2-CG1 4.45Å; T163-I167 WeakPolarHBondContact O-CG1 3.38Å; T163-I167 PolarHBondContact O-N 3.07Å; E164-I167 PolarHBondContact O-N 3.29Å; I167-R169 VanDerWaalsContact C-N 3.29Å; I167-R169 PolarHBondContact O-N 3.42Å; I167-A170 WeakPolarHBondContact O-CB 3.5Å; I167-A170 PolarHBondContact O-N 3.31Å; I167-A170 VanDerWaalsContact O-N 3.08Å; I167-L171 HydrophobicContact CG2-CD1 3.8Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 3.4Å; I167-M181 HydrophobicContact CB-CE 4.02Å; I167-M181 HydrophobicContact CB-SD 4.24Å; I167-M181 HydrophobicContact CG2-CE 3.57Å; I167-M181 HydrophobicContact CG2-SD 4.15Å
168R94.6Very high91.2Very high95 Ų9585.7 Ų85.736%0.35841%0.408SS..Hα-helixtrans-56.2-43.5176.2-73.6-172-171.7-72.1-3.1111.9E164 A170 L171 A172 V179 M181E164-R168 WeakPolarHBondContact O-CB 3.42Å; E164-R168 WeakPolarHBondContact O-CG 3.33Å; E164-R168 PolarHBondContact O-N 3.22Å; R168-A170 VanDerWaalsContact C-N 3.34Å; R168-A170 PolarHBondContact O-N 3Å; R168-L171 PolarHBondContact O-N 3.22Å; R168-A172 PolarHBondContact O-N 3.29Å; R168-A172 VanDerWaalsContact O-N 3.07Å; R168-V179 PolarHBondContact NH1-O 3.09Å; R168-M181 HydrophobicContact CB-CE 4.37Å; R168-M181 HydrophobicContact CG-CE 3.38Å; R168-M181 HydrophobicContact CG-SD 4.32Å
169R93Very high91.1Very high183 Ų18379.6 Ų79.669%0.69138%0.379SS*.Hα-helixtrans-62.8-40.1177.2-163.4-177-64.6160.7-2112R165 R166 I167 L171 A172R165-R169 WeakPolarHBondContact O-CB 3.01Å; R165-R169 PolarHBondContact O-N 2.79Å; R166-R169 PolarHBondContact O-N 3.45Å; I167-R169 VanDerWaalsContact C-N 3.29Å; I167-R169 PolarHBondContact O-N 3.42Å; R169-L171 VanDerWaalsContact C-N 3.3Å; R169-L171 PolarHBondContact O-N 3.38Å; R169-A172 WeakPolarHBondContact O-CB 3.42Å; R169-A172 PolarHBondContact O-N 3.02Å
170A89Confident91.1Very high49 Ų4978.2 Ų78.241%0.40538%0.375SS..Hα-helixtrans-66.5-32.1176.200000112.9I122 R166 I167 R168I122-A170 HydrophobicContact CD1-CB 3.35Å; R166-A170 PolarHBondContact O-N 3.42Å; R166-A170 VanDerWaalsContact O-N 3.1Å; I167-A170 WeakPolarHBondContact O-CB 3.5Å; I167-A170 PolarHBondContact O-N 3.31Å; I167-A170 VanDerWaalsContact O-N 3.08Å; R168-A170 VanDerWaalsContact C-N 3.34Å; R168-A170 PolarHBondContact O-N 3Å
171L90.2Very high91Very high2 Ų278 Ų781%0.0137%0.373CS..Hα-helixtrans-88.7-3.7-179.5-63.7176.9000114.3I130 M141 I143 I167 R168 R169 R173 T174 V179 M181I130-L171 HydrophobicContact CD1-CD2 3.95Å; I130-L171 HydrophobicContact CG1-CD2 4.17Å; I130-L171 HydrophobicContact CG2-CD2 3.57Å; M141-L171 HydrophobicContact CE-CD1 4.21Å; I143-L171 HydrophobicContact CD1-CD1 3.64Å; I167-L171 HydrophobicContact CG2-CD1 3.8Å; I167-L171 HydrophobicContact CG2-CG 4.33Å; I167-L171 WeakPolarHBondContact O-CG 3.4Å; I167-L171 PolarHBondContact O-N 3.4Å; R168-L171 PolarHBondContact O-N 3.22Å; R169-L171 VanDerWaalsContact C-N 3.3Å; R169-L171 PolarHBondContact O-N 3.38Å; L171-R173 PolarHBondContact O-N 3.04Å; L171-R173 VanDerWaalsContact O-N 3.1Å; L171-T174 HydrophobicContact CD2-CG2 4.47Å; L171-T174 WeakPolarHBondContact O-CB 3.45Å; L171-T174 PolarHBondContact O-N 2.86Å; L171-T174 PolarHBondContact O-OG1 3.32Å; L171-V179 HydrophobicContact CD1-CG1 3.72Å; L171-M181 HydrophobicContact CD1-CE 4.45Å
172A88.3Confident91Very high57 Ų5775.5 Ų75.547%0.47135%0.353SS..THydrogen-bonded Turntrans-56.3-32-172.300000114R168 R169R168-A172 PolarHBondContact O-N 3.29Å; R168-A172 VanDerWaalsContact O-N 3.07Å; R169-A172 WeakPolarHBondContact O-CB 3.42Å; R169-A172 PolarHBondContact O-N 3.02Å
173R80.4Confident91Very high217 Ų21772.9 Ų72.982%0.81934%0.337SS*.THydrogen-bonded Turntrans-95.413.3178.8-61.2-173.6179.8-175-1.8114.1L171L171-R173 PolarHBondContact O-N 3.04Å; L171-R173 VanDerWaalsContact O-N 3.1Å
174T81.5Confident90.9Very high18 Ų1871.9 Ų71.911%0.1133%0.331CS..SBendtrans-112.9166.9178.473.40000110I130 L171 F176 R177I130-T174 HydrophobicContact CG2-CG2 4.5Å; L171-T174 HydrophobicContact CD2-CG2 4.47Å; L171-T174 WeakPolarHBondContact O-CB 3.45Å; L171-T174 PolarHBondContact O-N 2.86Å; L171-T174 PolarHBondContact O-OG1 3.32Å; T174-F176 PolarHBondContact O-N 2.86Å; T174-F176 VanDerWaalsContact O-N 3.08Å; T174-F176 PolarHBondContact OG1-N 3.31Å; T174-F176 VanDerWaalsContact OG1-N 3.15Å; T174-R177 PolarHBondContact O-N 2.83Å
175T82Confident90.7Very high107 Ų10770.3 Ų70.366%0.65632%0.324SS*.THydrogen-bonded Turntrans-62.1-12.9171540000113.2N134N134-T175 PolarHBondContact OD1-OG1 3.44Å
176F86.6Confident90.3Very high12 Ų1262.2 Ų62.25%0.05330%0.295CS..THydrogen-bonded Turntrans-101.421.4-175.2-49.1-62.3000114.4A133 N134 P138 M141 T174 N178 V179A133-F176 HydrophobicContact CB-CE2 3.89Å; A133-F176 HydrophobicContact CB-CZ 4.05Å; N134-F176 HydrophobicContact CB-CE2 4.01Å; P138-F176 HydrophobicContact CG-CE1 4.33Å; P138-F176 HydrophobicContact CG-CZ 4.18Å; M141-F176 HydrophobicContact CB-CD1 3.73Å; M141-F176 HydrophobicContact CB-CE1 3.9Å; M141-F176 HydrophobicContact CB-CG 4.32Å; M141-F176 HydrophobicContact CE-CB 3.6Å; M141-F176 HydrophobicContact CE-CD1 4.28Å; M141-F176 HydrophobicContact CE-CD2 3.96Å; M141-F176 HydrophobicContact CE-CG 3.69Å; M141-F176 HydrophobicContact SD-CD2 4.33Å; M141-F176 HydrophobicContact SD-CG 4.36Å; T174-F176 PolarHBondContact O-N 2.86Å; T174-F176 VanDerWaalsContact O-N 3.08Å; T174-F176 PolarHBondContact OG1-N 3.31Å; T174-F176 VanDerWaalsContact OG1-N 3.15Å; F176-N178 PolarHBondContact O-N 3.48Å; F176-N178 VanDerWaalsContact O-N 3.11Å; F176-V179 HydrophobicContact CB-CB 4.32Å; F176-V179 WeakPolarHBondContact O-CB 3.36Å; F176-V179 PolarHBondContact O-N 3.33Å; F176-V179 VanDerWaalsContact O-N 3.1Å
177R86.1Confident89.9Confident158 Ų15859.1 Ų59.160%0.59629%0.294SS*.THydrogen-bonded Turntrans-53.8-33.1-179.265.3179.1-177-167.4-0.4114.5T174T174-R177 PolarHBondContact O-N 2.83Å
178N88.8Confident89.2Confident126 Ų12663.4 Ų63.467%0.67432%0.322SS*.THydrogen-bonded Turntrans-10622.9-176.9-66.3-16.7000112.7F176F176-N178 PolarHBondContact O-N 3.48Å; F176-N178 VanDerWaalsContact O-N 3.11Å
179V93.1Very high88.3Confident7 Ų763 Ų634%0.04233%0.332CS..  trans-59135.3-17874.90000111.2M141 I143 R168 L171 F176 M181M141-V179 VanDerWaalsContact C-CG2 3.47Å; M141-V179 HydrophobicContact CB-CG2 3.89Å; M141-V179 HydrophobicContact CE-CB 4.3Å; M141-V179 HydrophobicContact CE-CG1 4.3Å; M141-V179 HydrophobicContact CE-CG2 3.87Å; M141-V179 HydrophobicContact CG-CG2 4.16Å; M141-V179 WeakPolarHBondContact O-CG2 3.23Å; I143-V179 HydrophobicContact CD1-CG1 3.53Å; I143-V179 HydrophobicContact CG1-CG1 3.79Å; I143-V179 HydrophobicContact CG1-CG2 4.08Å; R168-V179 PolarHBondContact NH1-O 3.09Å; L171-V179 HydrophobicContact CD1-CG1 3.72Å; F176-V179 HydrophobicContact CB-CB 4.32Å; F176-V179 WeakPolarHBondContact O-CB 3.36Å; F176-V179 PolarHBondContact O-N 3.33Å; F176-V179 VanDerWaalsContact O-N 3.1Å; V179-M181 HydrophobicContact CG1-CE 3.74Å; V179-M181 HydrophobicContact CG1-CG 4.36Å
180P95.4Very high87.7Confident36 Ų3657.9 Ų57.923%0.23432%0.318CS..  trans-64.7141168.4-18.229.8000110.8L142 I143 V200L142-P180 HydrophobicContact CD2-CB 3.64Å; L142-P180 HydrophobicContact CD2-CG 3.58Å; I143-P180 PolarHBondContact N-O 3Å; P180-V200 HydrophobicContact CB-CG1 3.82Å; P180-V200 HydrophobicContact CG-CG1 4.5Å
181M96.1Very high87.3Confident20 Ų2059.1 Ų59.110%0.09932%0.324CS..EExtended strand (participates in β ladder)trans-123.5131.4177.7-52.3-172.1-17600108I143 L145 E164 I167 R168 L171 V179I143-M181 HydrophobicContact CB-CB 4.44Å; I143-M181 HydrophobicContact CB-CG 4.08Å; I143-M181 HydrophobicContact CD1-CE 4.17Å; I143-M181 CarbonylContact O-C 3.56Å; I143-M181 WeakPolarHBondContact O-CA 3.46Å; L145-M181 HydrophobicContact CD1-CB 4.37Å; E164-M181 HydrophobicContact CB-SD 4.09Å; E164-M181 HydrophobicContact CG-CB 4.34Å; E164-M181 HydrophobicContact CG-SD 3.96Å; I167-M181 HydrophobicContact CB-CE 4.02Å; I167-M181 HydrophobicContact CB-SD 4.24Å; I167-M181 HydrophobicContact CG2-CE 3.57Å; I167-M181 HydrophobicContact CG2-SD 4.15Å; R168-M181 HydrophobicContact CB-CE 4.37Å; R168-M181 HydrophobicContact CG-CE 3.38Å; R168-M181 HydrophobicContact CG-SD 4.32Å; L171-M181 HydrophobicContact CD1-CE 4.45Å; V179-M181 HydrophobicContact CG1-CE 3.74Å; V179-M181 HydrophobicContact CG1-CG 4.36Å
182V95.7Very high87.1Confident2 Ų264.8 Ų64.81%0.01235%0.354CS..EExtended strand (participates in β ladder)trans-122.7109.8-179.7-173.90000108.9I143 L145 F197 V200I143-V182 PolarHBondContact O-N 3.34Å; L145-V182 PolarHBondContact N-O 2.98Å; V182-F197 HydrophobicContact CB-CD2 4.15Å; V182-F197 HydrophobicContact CG1-CB 4.09Å; V182-F197 HydrophobicContact CG1-CD2 4.38Å; V182-F197 HydrophobicContact CG2-CD2 4.19Å; V182-V200 HydrophobicContact CG2-CB 4.08Å; V182-V200 HydrophobicContact CG2-CG1 4Å; V182-V200 HydrophobicContact CG2-CG2 4.07Å
183P95.1Very high87Confident28 Ų2862.5 Ų62.518%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-73130170.128.8-31.5000110.8L145 V148 I160L145-P183 HydrophobicContact CB-CB 4.4Å; L145-P183 WeakPolarHBondContact O-CA 3.38Å; V148-P183 HydrophobicContact CG2-CB 3.8Å; I160-P183 HydrophobicContact CD1-CB 4.21Å; I160-P183 HydrophobicContact CG1-CB 4.4Å; I160-P183 HydrophobicContact CG2-CB 4.04Å; I160-P183 HydrophobicContact CG2-CG 4.02Å
184M93.7Very high87.4Confident3 Ų353.4 Ų53.42%0.01530%0.302CS..  trans-155.5168.4178.368.9-177.5-55.400113F31 V144 L145 N146 K147 V148 V186 I194 F197F31-M184 HydrophobicContact CD2-CE 4.32Å; F31-M184 HydrophobicContact CD2-SD 3.87Å; F31-M184 HydrophobicContact CE2-CE 4.37Å; F31-M184 HydrophobicContact CE2-SD 3.74Å; V144-M184 HydrophobicContact CG1-CG 3.59Å; V144-M184 HydrophobicContact CG1-SD 3.47Å; V144-M184 WeakPolarHBondContact CG1-SD 3.49Å; L145-M184 PolarHBondContact O-N 2.91Å; L145-M184 VanDerWaalsContact O-O 3.11Å; N146-M184 CarbonylContact C-O 3.5Å; N146-M184 VanDerWaalsContact CA-O 3.31Å; N146-M184 WeakPolarHBondContact CA-O 3.5Å; K147-M184 PolarHBondContact N-O 2.93Å; V148-M184 WeakPolarHBondContact CG2-O 3.44Å; V148-M184 PolarHBondContact N-O 2.97Å; M184-V186 HydrophobicContact CE-CG1 3.7Å; M184-V186 HydrophobicContact SD-CG1 4.24Å; M184-I194 HydrophobicContact CE-CG1 3.65Å; M184-F197 HydrophobicContact SD-CB 4.44Å
185S91Very high87.6Confident12 Ų1256.9 Ų56.98%0.08432%0.32CS..  trans-123.6122.2168.5-64.40000109.3V148 D149 D190V148-S185 PolarHBondContact N-OG 3.14Å; D149-S185 WeakPolarHBondContact CB-OG 3.31Å; D149-S185 PolarHBondContact N-OG 3.17Å; D149-S185 PolarHBondContact OD1-OG 3.06Å; S185-D190 PolarHBondContact O-N 3.17Å
186V87Confident88Confident8 Ų859.5 Ų59.55%0.04832%0.318CS..BIsolated β-bridgetrans-92.8-15.8177.1-65.80000113.3A30 F31 A34 N146 M184A30-V186 HydrophobicContact CB-CG2 3.88Å; F31-V186 HydrophobicContact CB-CG1 3.94Å; F31-V186 HydrophobicContact CB-CG2 4.46Å; F31-V186 HydrophobicContact CD2-CG1 3.84Å; F31-V186 HydrophobicContact CG-CG1 4.4Å; A34-V186 HydrophobicContact CB-CB 4.2Å; A34-V186 HydrophobicContact CB-CG1 4.1Å; N146-V186 WeakPolarHBondContact ND2-CG2 3.23Å; N146-V186 WeakPolarHBondContact OD1-CG2 3.29Å; N146-V186 PolarHBondContact OD1-N 3.05Å; M184-V186 HydrophobicContact CE-CG1 3.7Å; M184-V186 HydrophobicContact SD-CG1 4.24Å
187V85Confident88.4Confident100 Ų10058.9 Ų58.961%0.60632%0.315SS*.THydrogen-bonded Turntrans-141.2108.2176.2-176.60000108.4A30A30-V187 HydrophobicContact CB-CG2 3.99Å
188P80.6Confident88.6Confident91 Ų9153.2 Ų53.259%0.59130%0.296SS*.THydrogen-bonded Turncis-65.2148.5-9.329.9-34000111.2D190P188-D190 PolarHBondContact O-N 3.35Å
189P74.9Confident88.7Confident88 Ų8852.4 Ų52.457%0.57129%0.292SS*.BIsolated β-bridgetrans-69.3124.9178.326.5-32000110.7I194P189-I194 HydrophobicContact CB-CD1 4.13Å
190D81.3Confident88.7Confident74 Ų7453.9 Ų53.940%0.39630%0.301SS..  trans-98.2112169.4170.120.9000109.6S185 P188 N192 S193 I194S185-D190 PolarHBondContact O-N 3.17Å; P188-D190 PolarHBondContact O-N 3.35Å; D190-N192 VanDerWaalsContact C-N 3.28Å; D190-N192 PolarHBondContact O-N 2.96Å; D190-N192 PolarHBondContact OD1-N 3.15Å; D190-N192 VanDerWaalsContact OD1-N 3.15Å; D190-S193 PolarHBondContact O-N 2.85Å; D190-S193 VanDerWaalsContact O-N 3.12Å; D190-S193 PolarHBondContact O-OG 2.92Å; D190-S193 WeakPolarHBondContact OD2-CB 3.04Å; D190-I194 PolarHBondContact O-N 3.32Å; D190-I194 VanDerWaalsContact O-N 3.11Å
191S80.5Confident88.6Confident76 Ų7652.2 Ų52.253%0.53129%0.289SS..Hα-helixtrans-56.8-40.5-177.651.30000112.4S193 I194 D195S191-S193 VanDerWaalsContact C-N 3.3Å; S191-S193 PolarHBondContact O-N 2.78Å; S191-I194 PolarHBondContact O-N 2.84Å; S191-D195 VanDerWaalsContact O-CG 3.28Å; S191-D195 PolarHBondContact O-N 3.05Å
192N85.8Confident88.3Confident120 Ų12052.5 Ų52.564%0.64229%0.292SS*.Hα-helixtrans-64-38180-71.9-17.7000111.6D190 R196D190-N192 VanDerWaalsContact C-N 3.28Å; D190-N192 PolarHBondContact O-N 2.96Å; D190-N192 PolarHBondContact OD1-N 3.15Å; D190-N192 VanDerWaalsContact OD1-N 3.15Å; N192-R196 WeakPolarHBondContact O-CB 3.32Å; N192-R196 PolarHBondContact O-N 2.84Å
193S87.4Confident88.1Confident10 Ų1056 Ų567%0.0731%0.314CS..Hα-helixtrans-69.2-36.1177.177.20000112.5D190 S191 F197D190-S193 PolarHBondContact O-N 2.85Å; D190-S193 VanDerWaalsContact O-N 3.12Å; D190-S193 PolarHBondContact O-OG 2.92Å; D190-S193 WeakPolarHBondContact OD2-CB 3.04Å; S191-S193 VanDerWaalsContact C-N 3.3Å; S191-S193 PolarHBondContact O-N 2.78Å; S193-F197 WeakPolarHBondContact O-CB 3.25Å; S193-F197 PolarHBondContact O-N 2.8Å
194I87Confident87.9Confident25 Ų2556.1 Ų56.113%0.12831%0.313CS..Hα-helixtrans-68.2-44.9175.6-66.4168.3000110.1A34 I35 M184 P189 D190 S191 R196 F197 M198A34-I194 HydrophobicContact CB-CD1 4.14Å; I35-I194 HydrophobicContact CG2-CG2 4.38Å; M184-I194 HydrophobicContact CE-CG1 3.65Å; P189-I194 HydrophobicContact CB-CD1 4.13Å; D190-I194 PolarHBondContact O-N 3.32Å; D190-I194 VanDerWaalsContact O-N 3.11Å; S191-I194 PolarHBondContact O-N 2.84Å; I194-R196 PolarHBondContact O-N 2.85Å; I194-F197 WeakPolarHBondContact O-CB 3.49Å; I194-F197 PolarHBondContact O-N 3.21Å; I194-F197 VanDerWaalsContact O-N 3.14Å; I194-M198 HydrophobicContact CG2-CG 4.45Å; I194-M198 WeakPolarHBondContact O-CG 3.47Å; I194-M198 PolarHBondContact O-N 3.19Å
195D86.7Confident87.8Confident91 Ų9156.6 Ų56.649%0.48732%0.316SS..Hα-helixtrans-61.6-45.4177.9-68.5-25.2000110.9S191 F197 M198 D199S191-D195 VanDerWaalsContact O-CG 3.28Å; S191-D195 PolarHBondContact O-N 3.05Å; D195-F197 VanDerWaalsContact C-N 3.3Å; D195-F197 PolarHBondContact O-N 3.23Å; D195-M198 WeakPolarHBondContact O-CB 3.23Å; D195-M198 PolarHBondContact O-N 3.49Å; D195-D199 PolarHBondContact O-N 3.02Å
196R90.9Very high87.8Confident162 Ų16257.7 Ų57.761%0.61132%0.318SS*.Hα-helixtrans-59.3-40.2173.7-174.2177.3-177.2168.91.7112.4N192 I194 V200N192-R196 WeakPolarHBondContact O-CB 3.32Å; N192-R196 PolarHBondContact O-N 2.84Å; I194-R196 PolarHBondContact O-N 2.85Å; R196-V200 WeakPolarHBondContact O-CG2 3.48Å; R196-V200 PolarHBondContact O-N 3.23Å; R196-V200 VanDerWaalsContact O-N 3.16Å
197F93.8Very high88Confident0 Ų058.3 Ų58.30%032%0.322CS..Hα-helixtrans-62-45.2174.2175-93.6000111.2F31 I35 F113 L142 V144 V182 M184 S193 I194 D195 D199 V200 F201F31-F197 HydrophobicContact CE2-CD1 4.27Å; F31-F197 HydrophobicContact CE2-CD2 4.45Å; F31-F197 HydrophobicContact CE2-CE1 4.14Å; F31-F197 HydrophobicContact CE2-CE2 4.32Å; F31-F197 HydrophobicContact CE2-CG 4.44Å; F31-F197 HydrophobicContact CE2-CZ 4.18Å; F31-F197 HydrophobicContact CZ-CD1 4.3Å; F31-F197 HydrophobicContact CZ-CD2 4.48Å; F31-F197 AromaticContact CZ-CE1 3.71Å; F31-F197 HydrophobicContact CZ-CE1 3.71Å; F31-F197 AromaticContact CZ-CE2 3.91Å; F31-F197 HydrophobicContact CZ-CE2 3.91Å; F31-F197 AromaticContact CZ-CZ 3.51Å; F31-F197 HydrophobicContact CZ-CZ 3.51Å; I35-F197 HydrophobicContact CD1-CE1 4.3Å; I35-F197 HydrophobicContact CG2-CD1 4.28Å; F113-F197 HydrophobicContact CD1-CZ 4.2Å; F113-F197 HydrophobicContact CD2-CZ 4Å; F113-F197 AromaticContact CE1-CZ 3.89Å; F113-F197 HydrophobicContact CE1-CZ 3.89Å; F113-F197 AromaticContact CE2-CE1 3.97Å; F113-F197 HydrophobicContact CE2-CE1 3.97Å; F113-F197 AromaticContact CE2-CZ 3.62Å; F113-F197 HydrophobicContact CE2-CZ 3.62Å; F113-F197 HydrophobicContact CG-CZ 4.26Å; F113-F197 HydrophobicContact CZ-CE1 4.03Å; F113-F197 AromaticContact CZ-CZ 3.56Å; F113-F197 HydrophobicContact CZ-CZ 3.56Å; L142-F197 HydrophobicContact CD1-CE2 4.31Å; L142-F197 HydrophobicContact CD1-CZ 4.37Å; V144-F197 HydrophobicContact CG2-CD2 4Å; V144-F197 HydrophobicContact CG2-CE2 3.54Å; V144-F197 HydrophobicContact CG2-CZ 4.33Å; V182-F197 HydrophobicContact CB-CD2 4.15Å; V182-F197 HydrophobicContact CG1-CB 4.09Å; V182-F197 HydrophobicContact CG1-CD2 4.38Å; V182-F197 HydrophobicContact CG2-CD2 4.19Å; M184-F197 HydrophobicContact SD-CB 4.44Å; S193-F197 WeakPolarHBondContact O-CB 3.25Å; S193-F197 PolarHBondContact O-N 2.8Å; I194-F197 WeakPolarHBondContact O-CB 3.49Å; I194-F197 PolarHBondContact O-N 3.21Å; I194-F197 VanDerWaalsContact O-N 3.14Å; D195-F197 VanDerWaalsContact C-N 3.3Å; D195-F197 PolarHBondContact O-N 3.23Å; F197-D199 VanDerWaalsContact C-N 3.35Å; F197-D199 PolarHBondContact O-N 3.39Å; F197-V200 PolarHBondContact O-N 3.29Å; F197-F201 HydrophobicContact CE1-CB 4.23Å; F197-F201 HydrophobicContact CZ-CB 4.41Å; F197-F201 WeakPolarHBondContact O-CB 3.28Å; F197-F201 PolarHBondContact O-N 2.93Å
198M90.9Very high88.2Confident39 Ų3954.2 Ų54.219%0.19230%0.297CS..Hα-helixtrans-63.2-38179.4-71.3-60.9-62.900112.5F64 I66 I194 D195 F201 T202F64-M198 HydrophobicContact CD2-CE 4.03Å; F64-M198 HydrophobicContact CE2-CE 3.62Å; F64-M198 HydrophobicContact CE2-SD 4.21Å; F64-M198 HydrophobicContact CZ-CE 4.32Å; F64-M198 HydrophobicContact CZ-SD 4.33Å; I66-M198 HydrophobicContact CD1-CE 3.92Å; I66-M198 HydrophobicContact CG1-CE 4.05Å; I194-M198 HydrophobicContact CG2-CG 4.45Å; I194-M198 WeakPolarHBondContact O-CG 3.47Å; I194-M198 PolarHBondContact O-N 3.19Å; D195-M198 WeakPolarHBondContact O-CB 3.23Å; D195-M198 PolarHBondContact O-N 3.49Å; M198-F201 HydrophobicContact CE-CD1 4.48Å; M198-F201 PolarHBondContact O-N 2.71Å; M198-F201 HydrophobicContact SD-CD1 4.5Å; M198-T202 VanDerWaalsContact O-CB 3.28Å; M198-T202 WeakPolarHBondContact O-CB 3.08Å; M198-T202 PolarHBondContact O-N 3.29Å; M198-T202 PolarHBondContact O-OG1 3.49Å
199D90.7Very high88.4Confident109 Ų10956 Ų5658%0.58330%0.302SS*.Hα-helixtrans-64.1-46.4175.2-71.4-21.8000112D195 F197 F201 T202 T203D195-D199 PolarHBondContact O-N 3.02Å; F197-D199 VanDerWaalsContact C-N 3.35Å; F197-D199 PolarHBondContact O-N 3.39Å; D199-F201 VanDerWaalsContact C-N 3.34Å; D199-T202 PolarHBondContact O-N 2.66Å; D199-T203 WeakPolarHBondContact O-CB 3.17Å; D199-T203 PolarHBondContact O-N 3.36Å; D199-T203 PolarHBondContact O-OG1 2.98Å
200V93.6Very high88.9Confident38 Ų3854.2 Ų54.223%0.2328%0.284CS..Hα-helixtrans-63.4-43.5176.7173.20000110.3L142 P180 V182 R196 F197 T203 N204L142-V200 HydrophobicContact CD2-CG1 4.05Å; P180-V200 HydrophobicContact CB-CG1 3.82Å; P180-V200 HydrophobicContact CG-CG1 4.5Å; V182-V200 HydrophobicContact CG2-CB 4.08Å; V182-V200 HydrophobicContact CG2-CG1 4Å; V182-V200 HydrophobicContact CG2-CG2 4.07Å; R196-V200 WeakPolarHBondContact O-CG2 3.48Å; R196-V200 PolarHBondContact O-N 3.23Å; R196-V200 VanDerWaalsContact O-N 3.16Å; F197-V200 PolarHBondContact O-N 3.29Å; V200-T203 PolarHBondContact O-N 2.92Å; V200-N204 PolarHBondContact O-N 2.8Å; V200-N204 PolarHBondContact O-ND2 3Å
201F93.1Very high88.8Confident0 Ų055.4 Ų55.40%029%0.294CS..Hα-helixtrans-61.9-50.8177.5170.7-120.6000111.6F16 V18 F64 I66 V87 M111 F113 L142 F197 M198 D199 T203 N204 I205F16-F201 HydrophobicContact CD1-CZ 4.43Å; F16-F201 HydrophobicContact CE1-CE2 4.32Å; V18-F201 HydrophobicContact CG2-CE2 4.31Å; V18-F201 HydrophobicContact CG2-CZ 4.36Å; F64-F201 HydrophobicContact CE2-CD1 4.35Å; F64-F201 AromaticContact CE2-CE1 3.79Å; F64-F201 HydrophobicContact CE2-CE1 3.79Å; F64-F201 HydrophobicContact CZ-CD1 4.22Å; F64-F201 AromaticContact CZ-CE1 3.68Å; F64-F201 HydrophobicContact CZ-CE1 3.68Å; F64-F201 HydrophobicContact CZ-CZ 4.42Å; I66-F201 HydrophobicContact CD1-CD1 3.96Å; I66-F201 HydrophobicContact CD1-CE1 3.62Å; V87-F201 HydrophobicContact CG1-CE1 4.33Å; V87-F201 HydrophobicContact CG1-CZ 3.95Å; V87-F201 HydrophobicContact CG2-CE1 3.83Å; V87-F201 HydrophobicContact CG2-CZ 3.82Å; M111-F201 HydrophobicContact CE-CD2 4.45Å; M111-F201 HydrophobicContact CE-CE2 4.29Å; M111-F201 HydrophobicContact SD-CD2 3.83Å; M111-F201 HydrophobicContact SD-CE2 3.77Å; F113-F201 AromaticContact CE1-CD2 3.69Å; F113-F201 HydrophobicContact CE1-CD2 3.69Å; F113-F201 AromaticContact CE1-CE2 3.96Å; F113-F201 HydrophobicContact CE1-CE2 3.96Å; F113-F201 HydrophobicContact CE1-CG 4.47Å; F113-F201 AromaticContact CZ-CD2 3.47Å; F113-F201 HydrophobicContact CZ-CD2 3.47Å; F113-F201 VanDerWaalsContact CZ-CD2 3.47Å; F113-F201 AromaticContact CZ-CE2 3.61Å; F113-F201 HydrophobicContact CZ-CE2 3.61Å; F113-F201 AromaticContact CZ-CG 3.97Å; F113-F201 HydrophobicContact CZ-CG 3.97Å; F113-F201 HydrophobicContact CZ-CZ 4.22Å; L142-F201 HydrophobicContact CD1-CB 3.89Å; L142-F201 HydrophobicContact CD1-CD2 3.93Å; L142-F201 HydrophobicContact CD1-CG 4.39Å; F197-F201 HydrophobicContact CE1-CB 4.23Å; F197-F201 HydrophobicContact CZ-CB 4.41Å; F197-F201 WeakPolarHBondContact O-CB 3.28Å; F197-F201 PolarHBondContact O-N 2.93Å; M198-F201 HydrophobicContact CE-CD1 4.48Å; M198-F201 PolarHBondContact O-N 2.71Å; M198-F201 HydrophobicContact SD-CD1 4.5Å; D199-F201 VanDerWaalsContact C-N 3.34Å; F201-T203 PolarHBondContact O-N 2.92Å; F201-N204 CarbonylContact O-C 3.59Å; F201-N204 WeakPolarHBondContact O-CA 3.41Å; F201-N204 PolarHBondContact O-N 3.33Å; F201-I205 HydrophobicContact CD1-CD1 4.14Å; F201-I205 HydrophobicContact CD2-CG1 4.23Å; F201-I205 HydrophobicContact CE1-CD1 3.62Å; F201-I205 HydrophobicContact CE1-CG1 4.11Å; F201-I205 HydrophobicContact CE2-CD1 4.23Å; F201-I205 HydrophobicContact CE2-CG1 3.79Å; F201-I205 HydrophobicContact CZ-CD1 3.68Å; F201-I205 HydrophobicContact CZ-CG1 3.73Å; F201-I205 WeakPolarHBondContact O-CG1 3.47Å; F201-I205 PolarHBondContact O-N 2.98Å
202T90.2Very high88.6Confident26 Ų2655.3 Ų55.316%0.1630%0.298CS..Hα-helixtrans-60.1-33.3-179.7-54.60000112.2I66 M72 R75 M198 D199 N204I66-T202 HydrophobicContact CG2-CG2 4.41Å; M72-T202 HydrophobicContact CE-CG2 3.56Å; M72-T202 HydrophobicContact CG-CG2 4.22Å; M72-T202 HydrophobicContact SD-CG2 3.57Å; M72-T202 VanDerWaalsContact SD-CG2 3.57Å; R75-T202 PolarHBondContact NH2-O 3.43Å; M198-T202 VanDerWaalsContact O-CB 3.28Å; M198-T202 WeakPolarHBondContact O-CB 3.08Å; M198-T202 PolarHBondContact O-N 3.29Å; M198-T202 PolarHBondContact O-OG1 3.49Å; D199-T202 PolarHBondContact O-N 2.66Å; T202-N204 VanDerWaalsContact C-N 3.27Å; T202-N204 PolarHBondContact O-N 2.69Å
203T90.9Very high88.4Confident77 Ų7750.8 Ų50.847%0.47228%0.277SS..Hα-helixtrans-71.5-21.4174.2-60.10000113.3R75 D199 V200 F201R75-T203 PolarHBondContact NH1-OG1 3.38Å; D199-T203 WeakPolarHBondContact O-CB 3.17Å; D199-T203 PolarHBondContact O-N 3.36Å; D199-T203 PolarHBondContact O-OG1 2.98Å; V200-T203 PolarHBondContact O-N 2.92Å; F201-T203 PolarHBondContact O-N 2.92Å
204N91.9Very high88.2Confident30 Ų3051.5 Ų51.516%0.1628%0.283CS..Hα-helixtrans-99.5-11179.8-78.5-81.1000114.2M111 K140 L142 V200 F201 T202M111-N204 HydrophobicContact CE-CB 4.05Å; M111-N204 WeakPolarHBondContact CE-O 3.43Å; K140-N204 HydrophobicContact CD-CB 4.1Å; K140-N204 WeakPolarHBondContact CD-O 3.39Å; K140-N204 PolarHBondContact NZ-O 2.79Å; L142-N204 HydrophobicContact CD2-CB 4.4Å; V200-N204 PolarHBondContact O-N 2.8Å; V200-N204 PolarHBondContact O-ND2 3Å; F201-N204 CarbonylContact O-C 3.59Å; F201-N204 WeakPolarHBondContact O-CA 3.41Å; F201-N204 PolarHBondContact O-N 3.33Å; T202-N204 VanDerWaalsContact C-N 3.27Å; T202-N204 PolarHBondContact O-N 2.69Å
205I91.1Very high88.1Confident13 Ų1357.4 Ų57.47%0.06732%0.315CS..  trans-58.7147.1174-66.8171.4000110.6I66 M72 I85 F201I66-I205 HydrophobicContact CD1-CD1 3.76Å; M72-I205 HydrophobicContact CE-CB 4.34Å; M72-I205 HydrophobicContact CE-CD1 4.28Å; M72-I205 HydrophobicContact CE-CG2 4.42Å; I85-I205 HydrophobicContact CD1-CD1 4.17Å; I85-I205 HydrophobicContact CD1-CG2 4.03Å; I85-I205 HydrophobicContact CG2-CD1 4.47Å; F201-I205 HydrophobicContact CD1-CD1 4.14Å; F201-I205 HydrophobicContact CD2-CG1 4.23Å; F201-I205 HydrophobicContact CE1-CD1 3.62Å; F201-I205 HydrophobicContact CE1-CG1 4.11Å; F201-I205 HydrophobicContact CE2-CD1 4.23Å; F201-I205 HydrophobicContact CE2-CG1 3.79Å; F201-I205 HydrophobicContact CZ-CD1 3.68Å; F201-I205 HydrophobicContact CZ-CG1 3.73Å; F201-I205 WeakPolarHBondContact O-CG1 3.47Å; F201-I205 PolarHBondContact O-N 2.98Å
206Y91.1Very high88.2Confident35 Ų3557.3 Ų57.314%0.13732%0.315CS..  trans-146.3163.3174.963.4-84.4000108.5F16 D110 S139 K140 P208F16-Y206 HydrophobicContact CE2-CD1 4.29Å; F16-Y206 HydrophobicContact CE2-CE1 4.11Å; F16-Y206 WeakPolarHBondContact CE2-O 3.25Å; F16-Y206 HydrophobicContact CZ-CD1 4.21Å; F16-Y206 AromaticContact CZ-CE1 3.83Å; F16-Y206 HydrophobicContact CZ-CE1 3.83Å; D110-Y206 PolarHBondContact O-OH 2.96Å; S139-Y206 VanDerWaalsContact CB-OH 3.22Å; S139-Y206 WeakPolarHBondContact CB-OH 3.34Å; S139-Y206 PolarHBondContact OG-OH 3.35Å; S139-Y206 VanDerWaalsContact OG-OH 3.06Å; K140-Y206 HydrophobicContact CB-CE1 4.47Å; K140-Y206 HydrophobicContact CD-CD1 4.22Å; K140-Y206 HydrophobicContact CD-CE1 4.48Å; K140-Y206 HydrophobicContact CG-CE1 4.33Å; Y206-P208 HydrophobicContact CE2-CB 4.34Å; Y206-P208 HydrophobicContact CE2-CG 4.28Å; Y206-P208 WeakPolarHBondContact O-CD 3.04Å
207V90.2Very high88.3Confident20 Ų2052.5 Ų52.512%0.12131%0.305CS..  trans-81.1118.8171.8-176.60000109.8L14 D76 E78 L79 F82L14-V207 HydrophobicContact CD1-CG1 4.24Å; L14-V207 HydrophobicContact CD2-CG2 4.08Å; D76-V207 PolarHBondContact OD2-N 3.08Å; E78-V207 HydrophobicContact CB-CB 4Å; E78-V207 HydrophobicContact CB-CG1 4.27Å; E78-V207 HydrophobicContact CB-CG2 3.71Å; E78-V207 WeakPolarHBondContact OE2-CG1 3.34Å; L79-V207 HydrophobicContact CD2-CG2 3.55Å; L79-V207 HydrophobicContact CG-CG2 3.77Å; F82-V207 HydrophobicContact CE2-CG1 4.26Å; F82-V207 HydrophobicContact CE2-CG2 4.48Å
208P89Confident88.3Confident14 Ų1452.9 Ų52.99%0.09131%0.306CS..  trans-68.6133176.4-19.134000111.2F16 D110 Y206 R210F16-P208 HydrophobicContact CD2-CG 3.73Å; F16-P208 HydrophobicContact CE2-CG 3.75Å; D110-P208 HydrophobicContact CB-CG 4.01Å; D110-P208 VanDerWaalsContact CG-CG 3.45Å; D110-P208 VanDerWaalsContact OD1-CB 3.26Å; D110-P208 WeakPolarHBondContact OD1-CB 3.21Å; D110-P208 VanDerWaalsContact OD1-CG 3.22Å; D110-P208 WeakPolarHBondContact OD1-CG 3.34Å; Y206-P208 HydrophobicContact CE2-CB 4.34Å; Y206-P208 HydrophobicContact CE2-CG 4.28Å; Y206-P208 WeakPolarHBondContact O-CD 3.04Å; P208-R210 HydrophobicContact CB-CG 4.36Å; P208-R210 PolarHBondContact O-N 2.76Å
209D85.1Confident88.3Confident130 Ų13051.5 Ų51.570%0.69530%0.3SS*.  trans-71.7112.5171.8-179.58.6000110T211D209-T211 WeakPolarHBondContact OD1-CB 3.26Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.45Å; D209-T211 PolarHBondContact OD1-N 3.29Å; D209-T211 PolarHBondContact OD1-OG1 2.75Å
210R84.8Confident88.4Confident50 Ų5046.3 Ų46.319%0.18927%0.272CS..  trans-121.512.4178.9-60-174.4-176.4143.35.9112.6N15 D110 P208 A213 A214 P276N15-R210 VanDerWaalsContact O-CZ 3.28Å; N15-R210 PolarHBondContact O-NH1 2.77Å; N15-R210 PolarHBondContact O-NH2 3.1Å; D110-R210 IonicContact OD1-NH2 3.59Å; D110-R210 PolarHBondContact OD1-NH2 3.27Å; D110-R210 IonicContact OD2-NH2 2.97Å; D110-R210 PolarHBondContact OD2-NH2 2.59Å; P208-R210 HydrophobicContact CB-CG 4.36Å; P208-R210 PolarHBondContact O-N 2.76Å; R210-A213 PolarHBondContact O-N 2.93Å; R210-A214 PolarHBondContact O-N 3.48Å; R210-A214 VanDerWaalsContact O-N 3.1Å; R210-P276 HydrophobicContact CB-CB 4.18Å; R210-P276 WeakPolarHBondContact CD-O 3.31Å; R210-P276 PolarHBondContact NH1-O 3.36Å
211T79.9Confident88.2Confident98 Ų9844.9 Ų44.960%0.60126%0.263SS*.Hα-helixtrans-59.4-53.7-173.452.20000111.7D209 A213 A214D209-T211 WeakPolarHBondContact OD1-CB 3.26Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.45Å; D209-T211 PolarHBondContact OD1-N 3.29Å; D209-T211 PolarHBondContact OD1-OG1 2.75Å; T211-A213 VanDerWaalsContact C-N 3.29Å; T211-A213 PolarHBondContact O-N 2.73Å; T211-A214 WeakPolarHBondContact O-CB 3.32Å; T211-A214 PolarHBondContact O-N 3.11Å; T211-A214 VanDerWaalsContact O-N 3.07Å
212A77.2Confident87.9Confident74 Ų7445 Ų4561%0.61226%0.263SS*.Hα-helixtrans-58.3-40.6178.700000112.7A214A212-A214 VanDerWaalsContact C-N 3.27Å; A212-A214 PolarHBondContact O-N 3.1Å
213A81.4Confident87.5Confident25 Ų2543.9 Ų43.921%0.20726%0.256CS..Hα-helixtrans-70.9-21.5-179.600000112.8R210 T211 S241 G242 P276R210-A213 PolarHBondContact O-N 2.93Å; T211-A213 VanDerWaalsContact C-N 3.29Å; T211-A213 PolarHBondContact O-N 2.73Å; A213-S241 CarbonylContact O-C 3.46Å; A213-S241 WeakPolarHBondContact O-CA 3.3Å; A213-S241 WeakPolarHBondContact O-CB 3.35Å; A213-G242 PolarHBondContact O-N 3.11Å; A213-P276 HydrophobicContact CB-CB 4.19Å; A213-P276 HydrophobicContact CB-CG 4.17Å
214A82.5Confident86.9Confident25 Ų2541.8 Ų41.821%0.20724%0.241CC..Hα-helixtrans-74.5-27.5-177.700000113.4R210 T211 A212 P276R210-A214 PolarHBondContact O-N 3.48Å; R210-A214 VanDerWaalsContact O-N 3.1Å; T211-A214 WeakPolarHBondContact O-CB 3.32Å; T211-A214 PolarHBondContact O-N 3.11Å; T211-A214 VanDerWaalsContact O-N 3.07Å; A212-A214 VanDerWaalsContact C-N 3.27Å; A212-A214 PolarHBondContact O-N 3.1Å; A214-P276 HydrophobicContact CB-CG 4.21Å
215D86Confident86.6Confident149 Ų14941.4 Ų41.480%0.79724%0.24SC*.Hα-helixtrans-92.1-13.2-179.9-64.1-30000112.9
216D87.9Confident86.1Confident90 Ų9044.8 Ų44.848%0.48126%0.255SS..SBendtrans-69.4158.9173-82.8-24.7000111.7G242D216-G242 WeakPolarHBondContact O-CA 3.5Å; D216-G242 PolarHBondContact O-N 3.02Å
217P92Very high85.5Confident61 Ų6146.4 Ų46.440%0.39627%0.271SS..PPolyproline II helixtrans-54.4148.3174.4-25.834.5000112.7M219 S241 E299 A302P217-M219 PolarHBondContact O-N 3.15Å; P217-S241 CarbonylContact O-C 3.59Å; P217-S241 PolarHBondContact O-OG 2.77Å; P217-E299 HydrophobicContact CB-CB 4.47Å; P217-A302 HydrophobicContact CB-CB 3.84Å; P217-A302 HydrophobicContact CG-CB 4.49Å
218F94.6Very high84.9Confident8 Ų848.8 Ų48.84%0.03528%0.283CS..PPolyproline II helixtrans-59.7126.6179.4177.8-111.4000110.9F220 V239 S241 C244 V250 I274 C298 E299F218-F220 HydrophobicContact CE1-CB 3.84Å; F218-F220 HydrophobicContact CE2-CB 4.12Å; F218-F220 HydrophobicContact CZ-CB 3.44Å; F218-F220 VanDerWaalsContact CZ-CB 3.44Å; F218-F220 HydrophobicContact CZ-CD2 4.36Å; F218-F220 HydrophobicContact CZ-CG 4.17Å; F218-V239 HydrophobicContact CD2-CG1 4.16Å; F218-V239 HydrophobicContact CE2-CG1 3.83Å; F218-V239 HydrophobicContact CE2-CG2 4.02Å; F218-S241 CarbonylContact C-O 3.6Å; F218-S241 WeakPolarHBondContact CA-O 3.49Å; F218-C244 HydrophobicContact CD1-CB 3.99Å; F218-C244 HydrophobicContact CD2-CB 3.55Å; F218-C244 HydrophobicContact CE1-CB 3.73Å; F218-C244 HydrophobicContact CE2-CB 3.25Å; F218-C244 HydrophobicContact CG-CB 3.9Å; F218-C244 HydrophobicContact CZ-CB 3.33Å; F218-V250 HydrophobicContact CD1-CG1 3.93Å; F218-V250 HydrophobicContact CE1-CG1 3.77Å; F218-I274 HydrophobicContact CE2-CD1 4.4Å; F218-I274 HydrophobicContact CZ-CD1 4.34Å; F218-C298 CarbonylContact O-C 3.56Å; F218-C298 WeakPolarHBondContact O-CA 3.36Å; F218-C298 WeakPolarHBondContact O-CB 3.23Å; F218-E299 HydrophobicContact CB-CB 4.32Å; F218-E299 PolarHBondContact O-N 3.39Å
219M92.1Very high84.4Confident10 Ų1060.4 Ų60.45%0.04933%0.325CS..EExtended strand (participates in β ladder)trans-137129.9174-72.6-72.3-58.100109.5P217 I240 S241 L296 L297 C298 L303 T399P217-M219 PolarHBondContact O-N 3.15Å; M219-I240 HydrophobicContact CB-CB 4.13Å; M219-I240 PolarHBondContact O-N 3.21Å; M219-S241 WeakPolarHBondContact CB-OG 3.33Å; M219-S241 WeakPolarHBondContact CG-OG 3.42Å; M219-S241 PolarHBondContact N-O 2.96Å; M219-S241 PolarHBondContact O-N 3.08Å; M219-L296 HydrophobicContact CE-CD2 4.07Å; M219-L297 CarbonylContact C-O 3.55Å; M219-L297 WeakPolarHBondContact CA-O 3.33Å; M219-C298 HydrophobicContact SD-CB 3.36Å; M219-C298 WeakPolarHBondContact SD-CB 3.39Å; M219-L303 HydrophobicContact CE-CD1 4.33Å; M219-L303 HydrophobicContact CE-CD2 3.98Å; M219-L303 HydrophobicContact SD-CD1 4.41Å; M219-L303 HydrophobicContact SD-CD2 4.41Å; M219-T399 HydrophobicContact CE-CG2 3.8Å; M219-T399 HydrophobicContact CG-CG2 4.42Å; M219-T399 HydrophobicContact SD-CG2 4.19Å
220F92.1Very high84.1Confident0 Ų057 Ų570%032%0.32CS..EExtended strand (participates in β ladder)trans-135.6120.1-178.6174.6-89.5000110.6F218 F222 V235 G237 T238 V239 A280 L282 L296 L297F218-F220 HydrophobicContact CE1-CB 3.84Å; F218-F220 HydrophobicContact CE2-CB 4.12Å; F218-F220 HydrophobicContact CZ-CB 3.44Å; F218-F220 VanDerWaalsContact CZ-CB 3.44Å; F218-F220 HydrophobicContact CZ-CD2 4.36Å; F218-F220 HydrophobicContact CZ-CG 4.17Å; F220-F222 HydrophobicContact CD1-CB 4.18Å; F220-F222 HydrophobicContact CE1-CB 3.8Å; F220-V235 HydrophobicContact CE1-CG2 4.03Å; F220-G237 VanDerWaalsContact CE2-O 3.26Å; F220-G237 WeakPolarHBondContact CE2-O 3.49Å; F220-G237 WeakPolarHBondContact CZ-O 3.17Å; F220-T238 VanDerWaalsContact CD2-C 3.48Å; F220-V239 HydrophobicContact CD2-CB 4.48Å; F220-V239 HydrophobicContact CD2-CG2 3.82Å; F220-V239 HydrophobicContact CE2-CG2 4.41Å; F220-A280 WeakPolarHBondContact CZ-O 3.08Å; F220-L282 HydrophobicContact CD2-CD1 4.35Å; F220-L282 HydrophobicContact CE1-CD1 4.06Å; F220-L282 HydrophobicContact CE2-CD1 3.69Å; F220-L282 HydrophobicContact CZ-CD1 3.5Å; F220-L282 VanDerWaalsContact CZ-CD1 3.5Å; F220-L296 CarbonylContact O-C 3.51Å; F220-L296 WeakPolarHBondContact O-CA 3.33Å; F220-L297 HydrophobicContact CB-CB 4.04Å; F220-L297 HydrophobicContact CD1-CB 4.15Å; F220-L297 HydrophobicContact CD1-CD1 3.84Å; F220-L297 HydrophobicContact CD1-CG 4.29Å; F220-L297 HydrophobicContact CE1-CD1 4.32Å; F220-L297 PolarHBondContact N-O 2.97Å; F220-L297 PolarHBondContact O-N 3.21Å
221H88.6Confident83.8Confident8 Ų861.2 Ų61.24%0.03734%0.34CS..EExtended strand (participates in β ladder)trans-88.8109.8178.7-83.8-153.9000108.8G237 T238 I240 L296 Y335H221-G237 CarbonylContact O-C 3.58Å; H221-G237 WeakPolarHBondContact O-CA 3.45Å; H221-T238 PolarHBondContact N-O 2.91Å; H221-T238 PolarHBondContact O-N 3.38Å; H221-I240 HydrophobicContact CB-CD1 4Å; H221-I240 HydrophobicContact CB-CG1 4.19Å; H221-I240 WeakPolarHBondContact CD2-CG1 3.21Å; H221-L296 WeakPolarHBondContact CD2-CD2 3.4Å; H221-L296 WeakPolarHBondContact NE2-CD2 3.29Å; H221-Y335 HydrophobicContact CB-CE2 3.68Å; H221-Y335 AromaticContact CG-CE2 3.83Å; H221-Y335 AromaticContact ND1-CE2 3.72Å; H221-Y335 AromaticContact ND1-CZ 3.95Å
222F87.7Confident84Confident2 Ų256.8 Ų56.81%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-94.5138.8174.971.5-96.8000111.6F220 C225 V235 T236 L292 R294 G295 L296 L297F220-F222 HydrophobicContact CD1-CB 4.18Å; F220-F222 HydrophobicContact CE1-CB 3.8Å; F222-C225 HydrophobicContact CD2-CB 4.38Å; F222-C225 HydrophobicContact CE2-CB 4.17Å; F222-V235 HydrophobicContact CB-CB 3.97Å; F222-V235 HydrophobicContact CD2-CG1 4.4Å; F222-V235 HydrophobicContact CG-CB 4.2Å; F222-V235 HydrophobicContact CG-CG1 4.33Å; F222-T236 CarbonylContact C-O 3.54Å; F222-T236 VanDerWaalsContact CA-O 3.31Å; F222-T236 WeakPolarHBondContact CA-O 3.49Å; F222-T236 WeakPolarHBondContact CB-O 3.42Å; F222-L292 HydrophobicContact CE2-CB 4.22Å; F222-L292 HydrophobicContact CZ-CB 4.14Å; F222-L292 HydrophobicContact CZ-CD1 4.32Å; F222-R294 WeakPolarHBondContact O-CA 3.46Å; F222-G295 WeakPolarHBondContact CD1-O 3.46Å; F222-G295 VanDerWaalsContact CE1-CA 3.45Å; F222-G295 VanDerWaalsContact CZ-CA 3.42Å; F222-G295 PolarHBondContact N-O 2.93Å; F222-G295 PolarHBondContact O-N 2.69Å; F222-L296 VanDerWaalsContact CE1-N 3.25Å; F222-L297 HydrophobicContact CD1-CG 4.33Å
223D80.7Confident84.5Confident2 Ų253.4 Ų53.41%0.01129%0.285CS..EExtended strand (participates in β ladder)trans-113.3-14.8-178.846.658.7000112.8F61 T236 R279 D293F61-D223 HydrophobicContact CE2-CB 4.09Å; F61-D223 WeakPolarHBondContact CE2-OD2 3.44Å; F61-D223 HydrophobicContact CZ-CB 4.2Å; F61-D223 WeakPolarHBondContact CZ-OD2 3.29Å; D223-T236 PolarHBondContact N-O 3.07Å; D223-T236 PolarHBondContact OD1-OG1 2.96Å; D223-R279 IonicContact OD1-CZ 3.45Å; D223-R279 IonicContact OD1-NH1 2.73Å; D223-R279 IonicContact OD1-NH2 3.53Å; D223-R279 PolarHBondContact OD1-NH2 3.27Å; D223-R279 IonicContact OD2-CZ 3.72Å; D223-R279 IonicContact OD2-NH1 2.85Å; D223-R279 PolarHBondContact OD2-NH1 3.28Å; D223-R279 IonicContact OD2-NH2 3.59Å; D223-R279 PolarHBondContact OD2-NH2 2.88Å; D223-R279 VanDerWaalsContact OD2-NH2 3.17Å; D223-D293 CarbonylContact C-O 3.51Å; D223-D293 VanDerWaalsContact C-O 3.27Å; D223-D293 VanDerWaalsContact O-O 3.12Å
224H79.9Confident84.8Confident34 Ų3453 Ų5316%0.15728%0.28CS..EExtended strand (participates in β ladder)trans-138.8144.3168.8-55.875.1000110.1V235 T236 D293H224-V235 CarbonylContact O-C 3.59Å; H224-V235 VanDerWaalsContact O-CA 3.31Å; H224-V235 WeakPolarHBondContact O-CA 3.38Å; H224-T236 WeakPolarHBondContact CB-OG1 3.48Å; H224-T236 PolarHBondContact N-O 3.21Å; H224-T236 PolarHBondContact O-N 3.19Å; H224-D293 CarbonylContact C-O 3.52Å; H224-D293 VanDerWaalsContact CA-O 3.31Å; H224-D293 WeakPolarHBondContact CA-O 3.27Å; H224-D293 PolarHBondContact N-O 2.85Å
225C84.4Confident85.1Confident21 Ų2151.8 Ų51.814%0.14227%0.27CS..EExtended strand (participates in β ladder)trans-133.4133.7170.1-174.90000108.8F222 M233 V234 V235 L292F222-C225 HydrophobicContact CD2-CB 4.38Å; F222-C225 HydrophobicContact CE2-CB 4.17Å; C225-M233 VanDerWaalsContact SG-CG 3.56Å; C225-M233 VanDerWaalsContact SG-SD 3.61Å; C225-V234 WeakPolarHBondContact CA-O 3.49Å; C225-V235 HydrophobicContact CB-CG1 4.1Å; C225-L292 WeakPolarHBondContact CB-O 3.27Å
226F80.6Confident85.2Confident85 Ų8545.3 Ų45.337%0.37324%0.236SC..EExtended strand (participates in β ladder)trans-147150.2173.951.3-87.4000110.5L228 V234 T236F226-L228 HydrophobicContact CD2-CD2 4.25Å; F226-L228 HydrophobicContact CD2-CG 4.25Å; F226-L228 HydrophobicContact CE2-CD1 4.48Å; F226-L228 HydrophobicContact CE2-CD2 4.27Å; F226-L228 HydrophobicContact CE2-CG 4.23Å; F226-V234 HydrophobicContact CD2-CB 4.03Å; F226-V234 HydrophobicContact CE1-CB 4.38Å; F226-V234 HydrophobicContact CE1-CG1 4.12Å; F226-V234 HydrophobicContact CE2-CB 3.57Å; F226-V234 HydrophobicContact CE2-CG1 3.8Å; F226-V234 HydrophobicContact CE2-CG2 4.14Å; F226-V234 HydrophobicContact CZ-CB 3.76Å; F226-V234 HydrophobicContact CZ-CG1 3.48Å; F226-V234 VanDerWaalsContact CZ-CG1 3.48Å; F226-V234 PolarHBondContact N-O 2.94Å; F226-V234 PolarHBondContact O-N 3.16Å; F226-T236 HydrophobicContact CE1-CG2 4.23Å
227S79.6Confident85.2Confident68 Ų6841 Ų4148%0.47621%0.213SC..EExtended strand (participates in β ladder)trans-94.5130.2177.9-63.90000110.5
228L77.3Confident85.1Confident71 Ų7138.2 Ų38.237%0.37220%0.195SC..EExtended strand (participates in β ladder)trans-102.2118.3170.1-69.3179.7000109.3F226 G230 K231 G232 V234F226-L228 HydrophobicContact CD2-CD2 4.25Å; F226-L228 HydrophobicContact CD2-CG 4.25Å; F226-L228 HydrophobicContact CE2-CD1 4.48Å; F226-L228 HydrophobicContact CE2-CD2 4.27Å; F226-L228 HydrophobicContact CE2-CG 4.23Å; L228-G230 PolarHBondContact O-N 3.19Å; L228-K231 HydrophobicContact CB-CB 3.93Å; L228-K231 HydrophobicContact CD1-CD 4.23Å; L228-K231 PolarHBondContact O-N 3.33Å; L228-G232 PolarHBondContact N-O 3.25Å; L228-G232 PolarHBondContact O-N 3.24Å; L228-G232 VanDerWaalsContact O-N 3.1Å; L228-V234 HydrophobicContact CD1-CG2 3.5Å; L228-V234 VanDerWaalsContact CD1-CG2 3.5Å; L228-V234 HydrophobicContact CG-CG2 3.96Å
229R77.6Confident84.9Confident258 Ų25837.8 Ų37.897%0.97419%0.193SC*.THydrogen-bonded Turntrans-52.8125.3179-166.8-179.2-114.3-169.8-1.9109.9K231R229-K231 PolarHBondContact O-N 3.17Å; R229-K231 VanDerWaalsContact O-N 3.14Å
230G79.4Confident84.7Confident58 Ų5838.6 Ų38.660%0.59820%0.197SC*.THydrogen-bonded Turntrans76.9-21.2-179.100000116.6L228L228-G230 PolarHBondContact O-N 3.19Å
231K78.1Confident84.6Confident139 Ų13939.2 Ų39.260%0.60420%0.201SC*.THydrogen-bonded Turntrans-93.1-39-179-68.9-174.4171.2-177.50112.6L228 R229 K262L228-K231 HydrophobicContact CB-CB 3.93Å; L228-K231 HydrophobicContact CD1-CD 4.23Å; L228-K231 PolarHBondContact O-N 3.33Å; R229-K231 PolarHBondContact O-N 3.17Å; R229-K231 VanDerWaalsContact O-N 3.14Å; K231-K262 PolarHBondContact O-NZ 3.14Å
232G84.2Confident84.8Confident5 Ų539 Ų395%0.05220%0.201CC..EExtended strand (participates in β ladder)trans128.6-150.8-177.500000111.7L228L228-G232 PolarHBondContact N-O 3.25Å; L228-G232 PolarHBondContact O-N 3.24Å; L228-G232 VanDerWaalsContact O-N 3.1Å
233M87.2Confident85.1Confident2 Ų244.8 Ų44.81%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-100.6133.8179.4176.8174.1-78.100109.1C225 V235 I252 C283 L284 A287 C290C225-M233 VanDerWaalsContact SG-CG 3.56Å; C225-M233 VanDerWaalsContact SG-SD 3.61Å; M233-V235 HydrophobicContact CG-CG1 4.34Å; M233-I252 HydrophobicContact SD-CD1 4.39Å; M233-C283 CarbonylContact O-C 3.27Å; M233-C283 WeakPolarHBondContact O-CA 3.44Å; M233-L284 HydrophobicContact CB-CB 4.42Å; M233-L284 PolarHBondContact N-O 2.93Å; M233-L284 PolarHBondContact O-N 2.82Å; M233-A287 HydrophobicContact CE-CB 3.99Å; M233-C290 HydrophobicContact CE-CB 3.97Å; M233-C290 WeakPolarHBondContact CE-SG 3.42Å
234V88Confident85.8Confident17 Ų1744.7 Ų44.710%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-111.5127.9173.5179.70000108.6C225 F226 L228 L282 C283C225-V234 WeakPolarHBondContact CA-O 3.49Å; F226-V234 HydrophobicContact CD2-CB 4.03Å; F226-V234 HydrophobicContact CE1-CB 4.38Å; F226-V234 HydrophobicContact CE1-CG1 4.12Å; F226-V234 HydrophobicContact CE2-CB 3.57Å; F226-V234 HydrophobicContact CE2-CG1 3.8Å; F226-V234 HydrophobicContact CE2-CG2 4.14Å; F226-V234 HydrophobicContact CZ-CB 3.76Å; F226-V234 HydrophobicContact CZ-CG1 3.48Å; F226-V234 VanDerWaalsContact CZ-CG1 3.48Å; F226-V234 PolarHBondContact N-O 2.94Å; F226-V234 PolarHBondContact O-N 3.16Å; L228-V234 HydrophobicContact CD1-CG2 3.5Å; L228-V234 VanDerWaalsContact CD1-CG2 3.5Å; L228-V234 HydrophobicContact CG-CG2 3.96Å; V234-L282 WeakPolarHBondContact CA-O 3.44Å; V234-C283 HydrophobicContact CG2-CB 4.3Å
235V89.6Confident86.6Confident0 Ų046.3 Ų46.30%024%0.235CC..EExtended strand (participates in β ladder)trans-115.5137.2171.4-62.60000109.4F220 F222 H224 C225 M233 G281 L282 L284 L297F220-V235 HydrophobicContact CE1-CG2 4.03Å; F222-V235 HydrophobicContact CB-CB 3.97Å; F222-V235 HydrophobicContact CD2-CG1 4.4Å; F222-V235 HydrophobicContact CG-CB 4.2Å; F222-V235 HydrophobicContact CG-CG1 4.33Å; H224-V235 CarbonylContact O-C 3.59Å; H224-V235 VanDerWaalsContact O-CA 3.31Å; H224-V235 WeakPolarHBondContact O-CA 3.38Å; C225-V235 HydrophobicContact CB-CG1 4.1Å; M233-V235 HydrophobicContact CG-CG1 4.34Å; V235-G281 CarbonylContact O-C 3.57Å; V235-G281 VanDerWaalsContact O-CA 3.25Å; V235-G281 WeakPolarHBondContact O-CA 3.49Å; V235-L282 HydrophobicContact CG2-CB 3.96Å; V235-L282 PolarHBondContact N-O 3.35Å; V235-L282 PolarHBondContact O-N 3.03Å; V235-L284 HydrophobicContact CG1-CD1 4.43Å; V235-L284 HydrophobicContact CG2-CD1 4.28Å; V235-L297 HydrophobicContact CG2-CD1 3.6Å
236T88Confident87.1Confident12 Ų1250.1 Ų50.17%0.07425%0.251CS..EExtended strand (participates in β ladder)trans-115140.3172.363.90000110.3F222 D223 H224 F226 A280F222-T236 CarbonylContact C-O 3.54Å; F222-T236 VanDerWaalsContact CA-O 3.31Å; F222-T236 WeakPolarHBondContact CA-O 3.49Å; F222-T236 WeakPolarHBondContact CB-O 3.42Å; D223-T236 PolarHBondContact N-O 3.07Å; D223-T236 PolarHBondContact OD1-OG1 2.96Å; H224-T236 WeakPolarHBondContact CB-OG1 3.48Å; H224-T236 PolarHBondContact N-O 3.21Å; H224-T236 PolarHBondContact O-N 3.19Å; F226-T236 HydrophobicContact CE1-CG2 4.23Å; T236-A280 WeakPolarHBondContact CA-O 3Å
237G88.1Confident87.8Confident0 Ų047.6 Ų47.60%025%0.249CC..EExtended strand (participates in β ladder)trans179.1-170.1-170.100000113.1F220 H221 R279 A280F220-G237 VanDerWaalsContact CE2-O 3.26Å; F220-G237 WeakPolarHBondContact CE2-O 3.49Å; F220-G237 WeakPolarHBondContact CZ-O 3.17Å; H221-G237 CarbonylContact O-C 3.58Å; H221-G237 WeakPolarHBondContact O-CA 3.45Å; G237-R279 CarbonylContact O-C 3.52Å; G237-R279 WeakPolarHBondContact O-CA 3.38Å; G237-R279 WeakPolarHBondContact O-CG 3.38Å; G237-A280 PolarHBondContact N-O 2.97Å; G237-A280 PolarHBondContact O-N 3.42Å
238T88.5Confident88.6Confident2 Ų248.2 Ų48.21%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-126.7138.2-177.6-56.20000110.6I108 F220 H221 D278I108-T238 HydrophobicContact CB-CG2 3.97Å; I108-T238 HydrophobicContact CD1-CG2 4.21Å; I108-T238 HydrophobicContact CG2-CG2 3.6Å; F220-T238 VanDerWaalsContact CD2-C 3.48Å; H221-T238 PolarHBondContact N-O 2.91Å; H221-T238 PolarHBondContact O-N 3.38Å; T238-D278 CarbonylContact C-O 3.58Å; T238-D278 VanDerWaalsContact CA-O 3.31Å; T238-D278 WeakPolarHBondContact CA-O 3.48Å
239V91.6Very high89.5Confident0 Ų048.5 Ų48.50%025%0.25CC..EExtended strand (participates in β ladder)trans-73.4128.6174.6-174.10000109.4F218 F220 S241 I274 G275 G277 D278F218-V239 HydrophobicContact CD2-CG1 4.16Å; F218-V239 HydrophobicContact CE2-CG1 3.83Å; F218-V239 HydrophobicContact CE2-CG2 4.02Å; F220-V239 HydrophobicContact CD2-CB 4.48Å; F220-V239 HydrophobicContact CD2-CG2 3.82Å; F220-V239 HydrophobicContact CE2-CG2 4.41Å; V239-S241 WeakPolarHBondContact CG1-O 3.35Å; V239-I274 HydrophobicContact CG2-CB 4.02Å; V239-I274 HydrophobicContact CG2-CD1 3.67Å; V239-I274 HydrophobicContact CG2-CG1 3.87Å; V239-G275 WeakPolarHBondContact CB-O 3.39Å; V239-G275 WeakPolarHBondContact CG1-O 3.25Å; V239-G275 WeakPolarHBondContact CG2-O 3.37Å; V239-G277 PolarHBondContact O-N 2.78Å; V239-D278 HydrophobicContact CG2-CB 4.3Å; V239-D278 PolarHBondContact N-O 3.41Å
240I87.7Confident90.4Very high27 Ų2736.3 Ų36.314%0.13820%0.204CC..EExtended strand (participates in β ladder)trans-91.8-47.7176.4-52.5-52.1000110.4Q107 I108 M219 H221Q107-I240 HydrophobicContact CB-CG2 4.43Å; Q107-I240 VanDerWaalsContact OE1-CG2 3.23Å; I108-I240 HydrophobicContact CG2-CD1 3.14Å; M219-I240 HydrophobicContact CB-CB 4.13Å; M219-I240 PolarHBondContact O-N 3.21Å; H221-I240 HydrophobicContact CB-CD1 4Å; H221-I240 HydrophobicContact CB-CG1 4.19Å; H221-I240 WeakPolarHBondContact CD2-CG1 3.21Å
241S90.2Very high91.1Very high13 Ų1335 Ų359%0.09118%0.182CC..EExtended strand (participates in β ladder)trans-150163.9-17663.60000110.8A213 P217 F218 M219 V239A213-S241 CarbonylContact O-C 3.46Å; A213-S241 WeakPolarHBondContact O-CA 3.3Å; A213-S241 WeakPolarHBondContact O-CB 3.35Å; P217-S241 CarbonylContact O-C 3.59Å; P217-S241 PolarHBondContact O-OG 2.77Å; F218-S241 CarbonylContact C-O 3.6Å; F218-S241 WeakPolarHBondContact CA-O 3.49Å; M219-S241 WeakPolarHBondContact CB-OG 3.33Å; M219-S241 WeakPolarHBondContact CG-OG 3.42Å; M219-S241 PolarHBondContact N-O 2.96Å; M219-S241 PolarHBondContact O-N 3.08Å; V239-S241 WeakPolarHBondContact CG1-O 3.35Å
242G92.5Very high91.7Very high2 Ų228.4 Ų28.42%0.02115%0.153CC..SBendtrans62.3-173.5-177.100000113.8A213 D216 P276A213-G242 PolarHBondContact O-N 3.11Å; D216-G242 WeakPolarHBondContact O-CA 3.5Å; D216-G242 PolarHBondContact O-N 3.02Å; G242-P276 VanDerWaalsContact O-CD 3.29Å; G242-P276 WeakPolarHBondContact O-CD 3.46Å
243K94.1Very high92Very high125 Ų12528.1 Ų28.154%0.54315%0.151SC..  trans-123.4146.7177.3-63.3177-173.8169.20109.7I274K243-I274 CarbonylContact C-O 3.52Å; K243-I274 VanDerWaalsContact CA-O 3.27Å; K243-I274 WeakPolarHBondContact CA-O 3.33Å
244C95.9Very high91.9Very high0 Ų031 Ų310%017%0.165CC..EExtended strand (participates in β ladder)trans-126.2128.3171.3-177.50000110.4F218 Q248 S273 I274F218-C244 HydrophobicContact CD1-CB 3.99Å; F218-C244 HydrophobicContact CD2-CB 3.55Å; F218-C244 HydrophobicContact CE1-CB 3.73Å; F218-C244 HydrophobicContact CE2-CB 3.25Å; F218-C244 HydrophobicContact CG-CB 3.9Å; F218-C244 HydrophobicContact CZ-CB 3.33Å; C244-Q248 VanDerWaalsContact CA-OE1 3.31Å; C244-S273 CarbonylContact O-C 3.57Å; C244-S273 WeakPolarHBondContact O-CA 3.45Å; C244-I274 HydrophobicContact CB-CD1 4.38Å; C244-I274 HydrophobicContact CB-CG1 4.02Å; C244-I274 PolarHBondContact N-O 2.87Å; C244-I274 PolarHBondContact O-N 2.99Å
245N96.4Very high91.9Very high67 Ų6732.7 Ų32.736%0.35818%0.175SC..EExtended strand (participates in β ladder)trans-102.8148.8175.6-60.4-40.5000110.4G247 Q248 S272 S273N245-G247 PolarHBondContact O-N 2.84Å; N245-Q248 HydrophobicContact CB-CG 4.13Å; N245-Q248 WeakPolarHBondContact O-CB 3.19Å; N245-Q248 PolarHBondContact O-N 2.64Å; N245-Q248 VanDerWaalsContact O-N 3.09Å; N245-S272 CarbonylContact C-O 3.48Å; N245-S272 WeakPolarHBondContact CA-O 3.25Å; N245-S273 WeakPolarHBondContact OD1-CB 3.18Å; N245-S273 PolarHBondContact OD1-OG 2.99Å
246Q95.8Very high91.8Very high101 Ų10140.1 Ų40.147%0.47221%0.21SC..THydrogen-bonded Turntrans-54134.1170.9-171.6-1796.500110.1K262 I264 S272Q246-K262 VanDerWaalsContact CG-O 3.29Å; Q246-K262 WeakPolarHBondContact CG-O 3.37Å; Q246-K262 PolarHBondContact NE2-O 2.92Å; Q246-I264 HydrophobicContact CB-CD1 4.4Å; Q246-S272 PolarHBondContact N-O 2.76Å
247G94.8Very high91.8Very high33 Ų3342.4 Ų42.434%0.3422%0.22SC..THydrogen-bonded Turntrans90.1-10.6-177.600000115.2N245 K260 V261N245-G247 PolarHBondContact O-N 2.84Å; G247-K260 WeakPolarHBondContact O-CE 3.22Å; G247-K260 WeakPolarHBondContact O-CG 3.35Å; G247-V261 VanDerWaalsContact CA-O 3.27Å; G247-V261 WeakPolarHBondContact CA-O 3.22Å; G247-V261 PolarHBondContact N-O 2.8Å
248Q95.9Very high92.1Very high80 Ų8046.2 Ų46.237%0.37424%0.243SC..  trans-70.8161.4173.8-74.2-176.8-34.100112.3C244 N245 V261C244-Q248 VanDerWaalsContact CA-OE1 3.31Å; N245-Q248 HydrophobicContact CB-CG 4.13Å; N245-Q248 WeakPolarHBondContact O-CB 3.19Å; N245-Q248 PolarHBondContact O-N 2.64Å; N245-Q248 VanDerWaalsContact O-N 3.09Å; Q248-V261 PolarHBondContact O-N 3.23Å
249T96Very high92.2Very high78 Ų7848.4 Ų48.448%0.47925%0.251SS..EExtended strand (participates in β ladder)trans-95.9137.917349.30000111V258 R259 P300T249-V258 HydrophobicContact CG2-CG1 4.38Å; T249-R259 CarbonylContact C-O 3.59Å; T249-R259 VanDerWaalsContact CA-O 3.27Å; T249-R259 WeakPolarHBondContact CA-O 3.22Å; T249-P300 WeakPolarHBondContact O-CD 3.36Å
250V95.8Very high92.4Very high2 Ų254.1 Ų54.11%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-128.2149176.9-65.70000109.3F218 V258 R259 V261 L284 L297 C298F218-V250 HydrophobicContact CD1-CG1 3.93Å; F218-V250 HydrophobicContact CE1-CG1 3.77Å; V250-V258 CarbonylContact O-C 3.58Å; V250-V258 WeakPolarHBondContact O-CA 3.19Å; V250-R259 PolarHBondContact N-O 2.92Å; V250-R259 PolarHBondContact O-N 2.85Å; V250-V261 HydrophobicContact CB-CG2 4.46Å; V250-V261 HydrophobicContact CG1-CG2 3.79Å; V250-V261 HydrophobicContact CG2-CG2 3.79Å; V250-L284 HydrophobicContact CG2-CD2 3.79Å; V250-L297 HydrophobicContact CB-CD2 4.28Å; V250-L297 HydrophobicContact CG2-CD1 4.26Å; V250-L297 HydrophobicContact CG2-CD2 3.85Å; V250-C298 CarbonylContact C-O 3.57Å; V250-C298 WeakPolarHBondContact CA-O 3.44Å
251E94.1Very high92.7Very high29 Ų2952.8 Ų52.814%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-101.5141.6174.1-176.9-178.2171.700110.5P253 Q257 V258 L297 C298 P300 G301E251-P253 HydrophobicContact CG-CG 4.45Å; E251-P253 WeakPolarHBondContact O-CD 3.16Å; E251-Q257 CarbonylContact C-O 3.44Å; E251-Q257 WeakPolarHBondContact CA-O 3.45Å; E251-V258 HydrophobicContact CB-CG2 4.33Å; E251-V258 HydrophobicContact CG-CG2 4.39Å; E251-L297 WeakPolarHBondContact O-CA 3.15Å; E251-C298 PolarHBondContact N-O 3.3Å; E251-C298 PolarHBondContact O-N 2.87Å; E251-P300 HydrophobicContact CB-CB 4.39Å; E251-P300 HydrophobicContact CB-CG 4.47Å; E251-P300 WeakPolarHBondContact OE2-CA 3.4Å; E251-G301 PolarHBondContact OE2-N 3.34Å
252I92.4Very high92.9Very high1 Ų156.5 Ų56.51%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-100.697.1162.2-54.1162.5000106.9M233 M254 V255 Q256 Q257 R259 L284 L292 L297M233-I252 HydrophobicContact SD-CD1 4.39Å; I252-M254 VanDerWaalsContact C-N 3.27Å; I252-M254 PolarHBondContact O-N 2.76Å; I252-V255 HydrophobicContact CB-CG2 3.72Å; I252-V255 HydrophobicContact CD1-CG2 4.44Å; I252-V255 HydrophobicContact CG2-CG2 3.65Å; I252-V255 PolarHBondContact O-N 2.93Å; I252-V255 VanDerWaalsContact O-N 3.16Å; I252-Q256 PolarHBondContact O-N 3.16Å; I252-Q257 PolarHBondContact N-O 3.4Å; I252-Q257 PolarHBondContact O-N 2.83Å; I252-R259 HydrophobicContact CD1-CG 4.49Å; I252-L284 HydrophobicContact CD1-CD1 4.26Å; I252-L292 HydrophobicContact CG2-CD1 3.87Å; I252-L297 HydrophobicContact CB-CD2 4.36Å; I252-L297 HydrophobicContact CD1-CD2 4.32Å; I252-L297 HydrophobicContact CG1-CD2 3.32Å
253P89.9Confident93Very high0 Ų059.1 Ų59.10%030%0.299CS..G310 helixtrans-62.3-35.6-167.8-2636.9000112.8E251 V255 Q256 L296 C298 L303 Y397E251-P253 HydrophobicContact CG-CG 4.45Å; E251-P253 WeakPolarHBondContact O-CD 3.16Å; P253-V255 PolarHBondContact O-N 3.21Å; P253-V255 VanDerWaalsContact O-N 3.14Å; P253-Q256 PolarHBondContact O-N 3.48Å; P253-Q256 VanDerWaalsContact O-N 3.1Å; P253-L296 VanDerWaalsContact CD-O 3.23Å; P253-L296 WeakPolarHBondContact CD-O 3.45Å; P253-C298 WeakPolarHBondContact CG-SG 3.47Å; P253-L303 HydrophobicContact CG-CB 4.23Å; P253-L303 HydrophobicContact CG-CD2 4.06Å; P253-Y397 HydrophobicContact CB-CD1 3.58Å; P253-Y397 HydrophobicContact CB-CD2 4.5Å; P253-Y397 HydrophobicContact CB-CE1 3.33Å; P253-Y397 HydrophobicContact CB-CE2 4.32Å; P253-Y397 HydrophobicContact CB-CG 4.16Å; P253-Y397 PolarHBondContact O-OH 2.85Å
254M85.7Confident93Very high62 Ų6253.2 Ų53.231%0.30527%0.273SS..G310 helixtrans-59.7-25.9-178.9-69.7177148.700114.2I252 L292 Y397I252-M254 VanDerWaalsContact C-N 3.27Å; I252-M254 PolarHBondContact O-N 2.76Å; M254-L292 HydrophobicContact CB-CD1 4.28Å; M254-L292 HydrophobicContact SD-CD2 4.13Å; M254-Y397 HydrophobicContact CG-CD2 4.01Å; M254-Y397 HydrophobicContact CG-CE2 4.19Å
255V87.3Confident92.6Very high53 Ų5358.3 Ų58.332%0.32130%0.297SS..G310 helixtrans-118.13.7177-66.70000112.4I252 P253 Q257 L292I252-V255 HydrophobicContact CB-CG2 3.72Å; I252-V255 HydrophobicContact CD1-CG2 4.44Å; I252-V255 HydrophobicContact CG2-CG2 3.65Å; I252-V255 PolarHBondContact O-N 2.93Å; I252-V255 VanDerWaalsContact O-N 3.16Å; P253-V255 PolarHBondContact O-N 3.21Å; P253-V255 VanDerWaalsContact O-N 3.14Å; V255-Q257 HydrophobicContact CB-CG 4.33Å; V255-Q257 HydrophobicContact CG2-CB 3.99Å; V255-Q257 HydrophobicContact CG2-CG 3.94Å; V255-Q257 WeakPolarHBondContact O-CG 2.88Å; V255-Q257 PolarHBondContact O-N 3.19Å; V255-L292 HydrophobicContact CG1-CD1 3.91Å; V255-L292 HydrophobicContact CG2-CD1 4.49Å
256Q86.5Confident92.1Very high155 Ų15555.8 Ų55.872%0.72429%0.285SS*.THydrogen-bonded Turntrans51.242.5-179-59.6179-27.800112.8I252 P253I252-Q256 PolarHBondContact O-N 3.16Å; P253-Q256 PolarHBondContact O-N 3.48Å; P253-Q256 VanDerWaalsContact O-N 3.1Å
257Q89.5Confident91.1Very high60 Ų6053.2 Ų53.228%0.2827%0.272SS..EExtended strand (participates in β ladder)trans-114.5128.3179.9-68.4-177.95.900111.1E251 I252 V255E251-Q257 CarbonylContact C-O 3.44Å; E251-Q257 WeakPolarHBondContact CA-O 3.45Å; I252-Q257 PolarHBondContact N-O 3.4Å; I252-Q257 PolarHBondContact O-N 2.83Å; V255-Q257 HydrophobicContact CB-CG 4.33Å; V255-Q257 HydrophobicContact CG2-CB 3.99Å; V255-Q257 HydrophobicContact CG2-CG 3.94Å; V255-Q257 WeakPolarHBondContact O-CG 2.88Å; V255-Q257 PolarHBondContact O-N 3.19Å
258V92.9Very high90.1Very high80 Ų8059.2 Ų59.249%0.48529%0.291SS..EExtended strand (participates in β ladder)trans-93.8132.1170.4-177.50000109.4T249 V250 E251 P300T249-V258 HydrophobicContact CG2-CG1 4.38Å; V250-V258 CarbonylContact O-C 3.58Å; V250-V258 WeakPolarHBondContact O-CA 3.19Å; E251-V258 HydrophobicContact CB-CG2 4.33Å; E251-V258 HydrophobicContact CG-CG2 4.39Å; V258-P300 HydrophobicContact CG1-CG 4.09Å; V258-P300 HydrophobicContact CG2-CB 4.36Å
259R91.8Very high89.4Confident49 Ų4963 Ų6319%0.18530%0.302CS..EExtended strand (participates in β ladder)trans-135.2151-174.9-60.2-64.3-179.4179.20.5110.5T249 V250 I252 L284 Q286T249-R259 CarbonylContact C-O 3.59Å; T249-R259 VanDerWaalsContact CA-O 3.27Å; T249-R259 WeakPolarHBondContact CA-O 3.22Å; V250-R259 PolarHBondContact N-O 2.92Å; V250-R259 PolarHBondContact O-N 2.85Å; I252-R259 HydrophobicContact CD1-CG 4.49Å; R259-L284 HydrophobicContact CB-CB 4.18Å; R259-L284 HydrophobicContact CB-CD1 4.47Å; R259-Q286 PolarHBondContact NH1-O 2.94Å
260K94.7Very high89Confident119 Ų11963.6 Ų63.652%0.51731%0.314SS..EExtended strand (participates in β ladder)trans-92.5133.7175.8-166.5176-174.3177.30109.8G247 K262 L284 S285G247-K260 WeakPolarHBondContact O-CE 3.22Å; G247-K260 WeakPolarHBondContact O-CG 3.35Å; K260-K262 PolarHBondContact O-N 2.73Å; K260-L284 WeakPolarHBondContact O-CA 3.42Å; K260-S285 PolarHBondContact N-OG 3.45Å; K260-S285 PolarHBondContact O-N 2.82Å; K260-S285 VanDerWaalsContact O-N 3.1Å
261V95.4Very high88.8Confident0 Ų065.6 Ų65.60%033%0.326CS..EExtended strand (participates in β ladder)trans-75.8106.4173.1-177.60000108.6G247 Q248 V250 I264 L282 L284G247-V261 VanDerWaalsContact CA-O 3.27Å; G247-V261 WeakPolarHBondContact CA-O 3.22Å; G247-V261 PolarHBondContact N-O 2.8Å; Q248-V261 PolarHBondContact O-N 3.23Å; V250-V261 HydrophobicContact CB-CG2 4.46Å; V250-V261 HydrophobicContact CG1-CG2 3.79Å; V250-V261 HydrophobicContact CG2-CG2 3.79Å; V261-I264 HydrophobicContact CG1-CD1 4.01Å; V261-I264 HydrophobicContact CG1-CG1 3.54Å; V261-L282 HydrophobicContact CG1-CD2 4.24Å; V261-L282 HydrophobicContact CG1-CG 4.32Å; V261-L282 HydrophobicContact CG2-CD2 4.11Å; V261-L284 HydrophobicContact CG2-CD2 3.95Å
262K94Very high88.7Confident90 Ų9068.3 Ų68.339%0.39135%0.349SS..EExtended strand (participates in β ladder)trans-77.2-49.2-179-70.1-177.9169.7179.10111.9K231 Q246 K260 C283K231-K262 PolarHBondContact O-NZ 3.14Å; Q246-K262 VanDerWaalsContact CG-O 3.29Å; Q246-K262 WeakPolarHBondContact CG-O 3.37Å; Q246-K262 PolarHBondContact NE2-O 2.92Å; K260-K262 PolarHBondContact O-N 2.73Å; K262-C283 WeakPolarHBondContact CB-O 3.14Å; K262-C283 PolarHBondContact N-O 3.45Å
263T93.4Very high88.7Confident57 Ų5770.4 Ų70.435%0.3536%0.364SS..EExtended strand (participates in β ladder)trans-143.1150.4-179.761.60000109.4C283T263-C283 PolarHBondContact O-N 2.8Å; T263-C283 WeakPolarHBondContact OG1-CB 3.49Å
264I93.9Very high88.9Confident1 Ų170.6 Ų70.61%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-122.7127.8172.7-48.9175.8000106.8Q246 V261 V271 I274 A280 G281 L282Q246-I264 HydrophobicContact CB-CD1 4.4Å; V261-I264 HydrophobicContact CG1-CD1 4.01Å; V261-I264 HydrophobicContact CG1-CG1 3.54Å; I264-V271 HydrophobicContact CB-CG2 3.94Å; I264-V271 HydrophobicContact CG2-CG2 3.58Å; I264-V271 PolarHBondContact O-N 3.03Å; I264-I274 HydrophobicContact CD1-CG1 4.35Å; I264-I274 HydrophobicContact CG2-CD1 4.11Å; I264-I274 HydrophobicContact CG2-CG1 4.46Å; I264-I274 HydrophobicContact CG2-CG2 3.64Å; I264-A280 HydrophobicContact CG2-CB 3.95Å; I264-G281 WeakPolarHBondContact CA-O 3.2Å; I264-L282 HydrophobicContact CG2-CD1 4.45Å
265E89Confident89.2Confident108 Ų10868.2 Ų68.251%0.50536%0.356SS..EExtended strand (participates in β ladder)trans-121.8132.2174.7-71.7-176.6-17500109.2R269 A280 G281E265-R269 CarbonylContact C-O 3.59Å; E265-R269 VanDerWaalsContact CA-O 3.31Å; E265-R269 WeakPolarHBondContact CA-O 3.26Å; E265-A280 CarbonylContact O-C 3.35Å; E265-A280 WeakPolarHBondContact O-CA 3.3Å; E265-G281 PolarHBondContact N-O 2.9Å; E265-G281 PolarHBondContact O-N 2.87Å
266S84.7Confident89.2Confident14 Ų1466.4 Ų66.410%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-128.4122.4172.9-172.90000107.4H268 R269 R279S266-H268 PolarHBondContact O-N 2.92Å; S266-R269 PolarHBondContact N-O 2.9Å; S266-R269 WeakPolarHBondContact O-CB 3.48Å; S266-R269 PolarHBondContact O-N 2.82Å; S266-R279 PolarHBondContact OG-O 3.25Å
267F75.8Confident89.3Confident47 Ų4759.2 Ų59.221%0.20631%0.313CS..THydrogen-bonded Turntrans47.854.3178.9-59.9-83.2000114.5C63 Q86 T88 R269 R279C63-F267 HydrophobicContact CB-CD1 4.06Å; C63-F267 HydrophobicContact CB-CE1 3.47Å; C63-F267 VanDerWaalsContact CB-CE1 3.47Å; C63-F267 HydrophobicContact CB-CZ 4.29Å; C63-F267 WeakPolarHBondContact SG-CD1 3.46Å; C63-F267 WeakPolarHBondContact SG-CE1 3.35Å; Q86-F267 VanDerWaalsContact CD-CE2 3.49Å; Q86-F267 HydrophobicContact CG-CD2 4.35Å; Q86-F267 HydrophobicContact CG-CE2 4.18Å; Q86-F267 HydrophobicContact CG-CZ 4.3Å; T88-F267 HydrophobicContact CG2-CZ 4.45Å; T88-F267 WeakPolarHBondContact OG1-CZ 3.24Å; F267-R269 PolarHBondContact O-N 3.46Å; F267-R279 HydrophobicContact CE2-CB 4.16Å; F267-R279 HydrophobicContact CZ-CB 4.14Å
268H74.3Confident89.2Confident158 Ų15857.9 Ų57.973%0.73131%0.308SS*.THydrogen-bonded Turntrans62.815.6-179.9-50.2-69.2000115.1S266S266-H268 PolarHBondContact O-N 2.92Å
269R81.1Confident89Confident161 Ų16154.7 Ų54.761%0.60829%0.287SS*.EExtended strand (participates in β ladder)trans-118.3135.5173.7-62.3-179.6-179.6-179.3-0.4109.8E265 S266 F267E265-R269 CarbonylContact C-O 3.59Å; E265-R269 VanDerWaalsContact CA-O 3.31Å; E265-R269 WeakPolarHBondContact CA-O 3.26Å; S266-R269 PolarHBondContact N-O 2.9Å; S266-R269 WeakPolarHBondContact O-CB 3.48Å; S266-R269 PolarHBondContact O-N 2.82Å; F267-R269 PolarHBondContact O-N 3.46Å
270A87.4Confident88.9Confident89 Ų8952.6 Ų52.674%0.73628%0.28SS*.EExtended strand (participates in β ladder)trans-71.1132.1169.700000109.3
271V90.6Very high88.7Confident44 Ų4447.6 Ų47.627%0.26726%0.262SS..EExtended strand (participates in β ladder)trans-127.3150.5178.2-63.50000109.9I264 I274I264-V271 HydrophobicContact CB-CG2 3.94Å; I264-V271 HydrophobicContact CG2-CG2 3.58Å; I264-V271 PolarHBondContact O-N 3.03Å; V271-I274 HydrophobicContact CG2-CG2 3.96Å
272S92Very high88.6Confident87 Ų8747.6 Ų47.661%0.60826%0.262SS*.SBendtrans-89.8-20.2-179.954.30000113.4N245 Q246N245-S272 CarbonylContact C-O 3.48Å; N245-S272 WeakPolarHBondContact CA-O 3.25Å; Q246-S272 PolarHBondContact N-O 2.76Å
273S93Very high88.5Confident45 Ų4544 Ų4432%0.31525%0.248SC..EExtended strand (participates in β ladder)trans-150150.5-175.8-168.80000110.8C244 N245C244-S273 CarbonylContact O-C 3.57Å; C244-S273 WeakPolarHBondContact O-CA 3.45Å; N245-S273 WeakPolarHBondContact OD1-CB 3.18Å; N245-S273 PolarHBondContact OD1-OG 2.99Å
274I93.1Very high88.4Confident4 Ų441.2 Ų41.22%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-135.1147.6172.354.9177.9000109.7F218 V239 K243 C244 I264 V271 D278 A280 L282F218-I274 HydrophobicContact CE2-CD1 4.4Å; F218-I274 HydrophobicContact CZ-CD1 4.34Å; V239-I274 HydrophobicContact CG2-CB 4.02Å; V239-I274 HydrophobicContact CG2-CD1 3.67Å; V239-I274 HydrophobicContact CG2-CG1 3.87Å; K243-I274 CarbonylContact C-O 3.52Å; K243-I274 VanDerWaalsContact CA-O 3.27Å; K243-I274 WeakPolarHBondContact CA-O 3.33Å; C244-I274 HydrophobicContact CB-CD1 4.38Å; C244-I274 HydrophobicContact CB-CG1 4.02Å; C244-I274 PolarHBondContact N-O 2.87Å; C244-I274 PolarHBondContact O-N 2.99Å; I264-I274 HydrophobicContact CD1-CG1 4.35Å; I264-I274 HydrophobicContact CG2-CD1 4.11Å; I264-I274 HydrophobicContact CG2-CG1 4.46Å; I264-I274 HydrophobicContact CG2-CG2 3.64Å; V271-I274 HydrophobicContact CG2-CG2 3.96Å; I274-D278 WeakPolarHBondContact CA-OD2 3.47Å; I274-D278 HydrophobicContact CB-CB 4.19Å; I274-D278 HydrophobicContact CG2-CB 4.38Å; I274-A280 HydrophobicContact CD1-CB 4.06Å; I274-A280 HydrophobicContact CG2-CB 3.91Å; I274-L282 HydrophobicContact CD1-CD1 3.78Å; I274-L282 HydrophobicContact CD1-CD2 4.38Å; I274-L282 HydrophobicContact CD1-CG 4.38Å
275G91.9Very high88.2Confident11 Ų1142.8 Ų42.811%0.11324%0.242CC..  trans-135.2-174.8178.300000112.8V239 G277 D278V239-G275 WeakPolarHBondContact CB-O 3.39Å; V239-G275 WeakPolarHBondContact CG1-O 3.25Å; V239-G275 WeakPolarHBondContact CG2-O 3.37Å; G275-G277 PolarHBondContact O-N 3.07Å; G275-D278 PolarHBondContact N-OD2 3.49Å; G275-D278 WeakPolarHBondContact O-CB 3.24Å; G275-D278 PolarHBondContact O-N 3.4Å; G275-D278 VanDerWaalsContact O-N 3.07Å
276P89.3Confident87.4Confident15 Ų1543.6 Ų43.610%0.09725%0.246CC..THydrogen-bonded Turntrans-55.7133.7-171.6-2635.8000113.4R210 A213 A214 G242 D278R210-P276 HydrophobicContact CB-CB 4.18Å; R210-P276 WeakPolarHBondContact CD-O 3.31Å; R210-P276 PolarHBondContact NH1-O 3.36Å; A213-P276 HydrophobicContact CB-CB 4.19Å; A213-P276 HydrophobicContact CB-CG 4.17Å; A214-P276 HydrophobicContact CB-CG 4.21Å; G242-P276 VanDerWaalsContact O-CD 3.29Å; G242-P276 WeakPolarHBondContact O-CD 3.46Å; P276-D278 VanDerWaalsContact C-N 3.29Å; P276-D278 PolarHBondContact O-N 3.17Å
277G86.8Confident86.4Confident5 Ų544 Ų445%0.05225%0.25CS..THydrogen-bonded Turntrans85.7-13.1-177.400000114.9N17 V239 G275 R279N17-G277 PolarHBondContact ND2-O 3.12Å; V239-G277 PolarHBondContact O-N 2.78Å; G275-G277 PolarHBondContact O-N 3.07Å; G277-R279 PolarHBondContact O-N 3.07Å
278D88.9Confident85.6Confident32 Ų3249.1 Ų49.117%0.17128%0.28CS..  trans-70.4131.4179.4-63.8-10.3000111N15 T238 V239 I274 G275 P276N15-D278 PolarHBondContact ND2-OD1 3.28Å; T238-D278 CarbonylContact C-O 3.58Å; T238-D278 VanDerWaalsContact CA-O 3.31Å; T238-D278 WeakPolarHBondContact CA-O 3.48Å; V239-D278 HydrophobicContact CG2-CB 4.3Å; V239-D278 PolarHBondContact N-O 3.41Å; I274-D278 WeakPolarHBondContact CA-OD2 3.47Å; I274-D278 HydrophobicContact CB-CB 4.19Å; I274-D278 HydrophobicContact CG2-CB 4.38Å; G275-D278 PolarHBondContact N-OD2 3.49Å; G275-D278 WeakPolarHBondContact O-CB 3.24Å; G275-D278 PolarHBondContact O-N 3.4Å; G275-D278 VanDerWaalsContact O-N 3.07Å; P276-D278 VanDerWaalsContact C-N 3.29Å; P276-D278 PolarHBondContact O-N 3.17Å
279R88Confident84.6Confident13 Ų1345 Ų455%0.04927%0.273CS..EExtended strand (participates in β ladder)trans-92.2128.2167-175167.8-174.574.32.2109.8F61 T88 D223 G237 S266 F267 G277F61-R279 VanDerWaalsContact CE1-CZ 3.45Å; F61-R279 VanDerWaalsContact CG-NH2 3.3Å; T88-R279 HydrophobicContact CG2-CB 4.45Å; D223-R279 IonicContact OD1-CZ 3.45Å; D223-R279 IonicContact OD1-NH1 2.73Å; D223-R279 IonicContact OD1-NH2 3.53Å; D223-R279 PolarHBondContact OD1-NH2 3.27Å; D223-R279 IonicContact OD2-CZ 3.72Å; D223-R279 IonicContact OD2-NH1 2.85Å; D223-R279 PolarHBondContact OD2-NH1 3.28Å; D223-R279 IonicContact OD2-NH2 3.59Å; D223-R279 PolarHBondContact OD2-NH2 2.88Å; D223-R279 VanDerWaalsContact OD2-NH2 3.17Å; G237-R279 CarbonylContact O-C 3.52Å; G237-R279 WeakPolarHBondContact O-CA 3.38Å; G237-R279 WeakPolarHBondContact O-CG 3.38Å; S266-R279 PolarHBondContact OG-O 3.25Å; F267-R279 HydrophobicContact CE2-CB 4.16Å; F267-R279 HydrophobicContact CZ-CB 4.14Å; G277-R279 PolarHBondContact O-N 3.07Å
280A89.6Confident83.6Confident5 Ų538.3 Ų38.34%0.04125%0.251CS..EExtended strand (participates in β ladder)trans-147.6158.8-177.800000112.5F220 T236 G237 I264 E265 I274 L282F220-A280 WeakPolarHBondContact CZ-O 3.08Å; T236-A280 WeakPolarHBondContact CA-O 3Å; G237-A280 PolarHBondContact N-O 2.97Å; G237-A280 PolarHBondContact O-N 3.42Å; I264-A280 HydrophobicContact CG2-CB 3.95Å; E265-A280 CarbonylContact O-C 3.35Å; E265-A280 WeakPolarHBondContact O-CA 3.3Å; I274-A280 HydrophobicContact CD1-CB 4.06Å; I274-A280 HydrophobicContact CG2-CB 3.91Å; A280-L282 HydrophobicContact CB-CD1 4Å
281G90.8Very high82.7Confident14 Ų1441.7 Ų41.714%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-100.2126.5161.700000110V235 I264 E265V235-G281 CarbonylContact O-C 3.57Å; V235-G281 VanDerWaalsContact O-CA 3.25Å; V235-G281 WeakPolarHBondContact O-CA 3.49Å; I264-G281 WeakPolarHBondContact CA-O 3.2Å; E265-G281 PolarHBondContact N-O 2.9Å; E265-G281 PolarHBondContact O-N 2.87Å
282L92.8Very high82Confident0 Ų041.1 Ų41.10%025%0.251CS..EExtended strand (participates in β ladder)trans-109.2125175.6-73.469.7000108.8F220 V234 V235 V261 I264 I274 A280 L284 L297F220-L282 HydrophobicContact CD2-CD1 4.35Å; F220-L282 HydrophobicContact CE1-CD1 4.06Å; F220-L282 HydrophobicContact CE2-CD1 3.69Å; F220-L282 HydrophobicContact CZ-CD1 3.5Å; F220-L282 VanDerWaalsContact CZ-CD1 3.5Å; V234-L282 WeakPolarHBondContact CA-O 3.44Å; V235-L282 HydrophobicContact CG2-CB 3.96Å; V235-L282 PolarHBondContact N-O 3.35Å; V235-L282 PolarHBondContact O-N 3.03Å; V261-L282 HydrophobicContact CG1-CD2 4.24Å; V261-L282 HydrophobicContact CG1-CG 4.32Å; V261-L282 HydrophobicContact CG2-CD2 4.11Å; I264-L282 HydrophobicContact CG2-CD1 4.45Å; I274-L282 HydrophobicContact CD1-CD1 3.78Å; I274-L282 HydrophobicContact CD1-CD2 4.38Å; I274-L282 HydrophobicContact CD1-CG 4.38Å; A280-L282 HydrophobicContact CB-CD1 4Å; L282-L284 HydrophobicContact CB-CD2 4.22Å; L282-L297 HydrophobicContact CD2-CD1 4Å
283C92.2Very high81.2Confident13 Ų1342.9 Ų42.99%0.08825%0.254CS..EExtended strand (participates in β ladder)trans-89.9115.9168.6-172.20000109.1M233 V234 K262 T263M233-C283 CarbonylContact O-C 3.27Å; M233-C283 WeakPolarHBondContact O-CA 3.44Å; V234-C283 HydrophobicContact CG2-CB 4.3Å; K262-C283 WeakPolarHBondContact CB-O 3.14Å; K262-C283 PolarHBondContact N-O 3.45Å; T263-C283 PolarHBondContact O-N 2.8Å; T263-C283 WeakPolarHBondContact OG1-CB 3.49Å
284L92.1Very high80.6Confident0 Ų043.2 Ų43.20%025%0.248CC..EExtended strand (participates in β ladder)trans-99.6153.1-180-52.7-179.2000110.9M233 V235 V250 I252 R259 K260 V261 L282 L297M233-L284 HydrophobicContact CB-CB 4.42Å; M233-L284 PolarHBondContact N-O 2.93Å; M233-L284 PolarHBondContact O-N 2.82Å; V235-L284 HydrophobicContact CG1-CD1 4.43Å; V235-L284 HydrophobicContact CG2-CD1 4.28Å; V250-L284 HydrophobicContact CG2-CD2 3.79Å; I252-L284 HydrophobicContact CD1-CD1 4.26Å; R259-L284 HydrophobicContact CB-CB 4.18Å; R259-L284 HydrophobicContact CB-CD1 4.47Å; K260-L284 WeakPolarHBondContact O-CA 3.42Å; V261-L284 HydrophobicContact CG2-CD2 3.95Å; L282-L284 HydrophobicContact CB-CD2 4.22Å; L284-L297 HydrophobicContact CD1-CD1 4.25Å; L284-L297 HydrophobicContact CD1-CD2 4.07Å; L284-L297 HydrophobicContact CD2-CD1 4.49Å
285S88.5Confident80.2Confident34 Ų3443 Ų4324%0.23825%0.248CC..PPolyproline II helixtrans-56.8148.3172.855.30000112.8K260 A287K260-S285 PolarHBondContact N-OG 3.45Å; K260-S285 PolarHBondContact O-N 2.82Å; K260-S285 VanDerWaalsContact O-N 3.1Å; S285-A287 PolarHBondContact O-N 2.94Å
286Q73.3Confident80.1Confident125 Ų12543.2 Ų43.258%0.58425%0.246SC*.PPolyproline II helixtrans-52.8129.6-168.9-96.5-177.5-2300113R259R259-Q286 PolarHBondContact NH1-O 2.94Å
287A62.6Low80.3Confident22 Ų2242.5 Ų42.518%0.18224%0.242CC..  trans-118154.4167.900000109.2M233 S285 A289M233-A287 HydrophobicContact CE-CB 3.99Å; S285-A287 PolarHBondContact O-N 2.94Å; A287-A289 PolarHBondContact O-N 2.97Å
288N60.1Low80.6Confident155 Ų15542.3 Ų42.383%0.82924%0.239SC*.SBendtrans-56134.6153.8-67.7-18.6000106.9C290N288-C290 PolarHBondContact O-N 2.79Å
289A52.9Low80.9Confident71 Ų7145.6 Ų45.659%0.58725%0.253SS*.  trans-44.8112-173.900000110.5A287A287-A289 PolarHBondContact O-N 2.97Å
290C60.4Low81.2Confident21 Ų2147.5 Ų47.514%0.14227%0.268CS..  trans-82.9124.7169.973.30000106.9M233 N288 L292M233-C290 HydrophobicContact CE-CB 3.97Å; M233-C290 WeakPolarHBondContact CE-SG 3.42Å; N288-C290 PolarHBondContact O-N 2.79Å; C290-L292 HydrophobicContact CB-CD1 4.43Å; C290-L292 HydrophobicContact CB-CG 4.42Å; C290-L292 PolarHBondContact O-N 2.8Å
291N68Low81.2Confident159 Ų15950 Ų5085%0.8529%0.294SS*.  trans-77.849.1176.4-68.9-13.4000110.4
292L75.9Confident81.3Confident32 Ų3251.5 Ų51.517%0.16831%0.305CS..  trans-106.8105.7178.3-71.7175.2000109F222 C225 I252 M254 V255 C290F222-L292 HydrophobicContact CE2-CB 4.22Å; F222-L292 HydrophobicContact CZ-CB 4.14Å; F222-L292 HydrophobicContact CZ-CD1 4.32Å; C225-L292 WeakPolarHBondContact CB-O 3.27Å; I252-L292 HydrophobicContact CG2-CD1 3.87Å; M254-L292 HydrophobicContact CB-CD1 4.28Å; M254-L292 HydrophobicContact SD-CD2 4.13Å; V255-L292 HydrophobicContact CG1-CD1 3.91Å; V255-L292 HydrophobicContact CG2-CD1 4.49Å; C290-L292 HydrophobicContact CB-CD1 4.43Å; C290-L292 HydrophobicContact CB-CG 4.42Å; C290-L292 PolarHBondContact O-N 2.8Å
293D75.2Confident81.2Confident125 Ų12552.1 Ų52.167%0.66831%0.308SS*.SBendtrans-71.8-37.2173.7-63.9-36.2000111.3D223 H224D223-D293 CarbonylContact C-O 3.51Å; D223-D293 VanDerWaalsContact C-O 3.27Å; D223-D293 VanDerWaalsContact O-O 3.12Å; H224-D293 CarbonylContact C-O 3.52Å; H224-D293 VanDerWaalsContact CA-O 3.31Å; H224-D293 WeakPolarHBondContact CA-O 3.27Å; H224-D293 PolarHBondContact N-O 2.85Å
294R80.8Confident81.1Confident51 Ų5157.1 Ų57.119%0.19233%0.328CS..SBendtrans-138.7154.9-178.4-52.4-166.9-173.3161.13.2111.7D58 T101 F222D58-R294 IonicContact OD1-CZ 3.3Å; D58-R294 IonicContact OD1-NE 3.98Å; D58-R294 IonicContact OD1-NH2 3.48Å; D58-R294 PolarHBondContact OD1-NH2 3.12Å; D58-R294 IonicContact OD2-NH2 2.92Å; T101-R294 PolarHBondContact OG1-NH1 3.31Å; F222-R294 WeakPolarHBondContact O-CA 3.46Å
295G84.6Confident81.1Confident1 Ų160 Ų601%0.0134%0.342CS..EExtended strand (participates in β ladder)trans169.9-154.1178.200000113.4F222F222-G295 WeakPolarHBondContact CD1-O 3.46Å; F222-G295 VanDerWaalsContact CE1-CA 3.45Å; F222-G295 VanDerWaalsContact CZ-CA 3.42Å; F222-G295 PolarHBondContact N-O 2.93Å; F222-G295 PolarHBondContact O-N 2.69Å
296L89.2Confident81.4Confident15 Ų1558.4 Ų58.48%0.07933%0.332CS..EExtended strand (participates in β ladder)trans-126.7134.7-172-58.4165.8000108.8M219 F220 H221 F222 P253 L303M219-L296 HydrophobicContact CE-CD2 4.07Å; F220-L296 CarbonylContact O-C 3.51Å; F220-L296 WeakPolarHBondContact O-CA 3.33Å; H221-L296 WeakPolarHBondContact CD2-CD2 3.4Å; H221-L296 WeakPolarHBondContact NE2-CD2 3.29Å; F222-L296 VanDerWaalsContact CE1-N 3.25Å; P253-L296 VanDerWaalsContact CD-O 3.23Å; P253-L296 WeakPolarHBondContact CD-O 3.45Å; L296-L303 HydrophobicContact CD1-CD2 3.71Å
297L92.8Very high82.5Confident0 Ų054.4 Ų54.40%031%0.312CS..EExtended strand (participates in β ladder)trans-104.9141.9156.4-76.3179.1000108.2M219 F220 F222 V235 V250 E251 I252 L282 L284M219-L297 CarbonylContact C-O 3.55Å; M219-L297 WeakPolarHBondContact CA-O 3.33Å; F220-L297 HydrophobicContact CB-CB 4.04Å; F220-L297 HydrophobicContact CD1-CB 4.15Å; F220-L297 HydrophobicContact CD1-CD1 3.84Å; F220-L297 HydrophobicContact CD1-CG 4.29Å; F220-L297 HydrophobicContact CE1-CD1 4.32Å; F220-L297 PolarHBondContact N-O 2.97Å; F220-L297 PolarHBondContact O-N 3.21Å; F222-L297 HydrophobicContact CD1-CG 4.33Å; V235-L297 HydrophobicContact CG2-CD1 3.6Å; V250-L297 HydrophobicContact CB-CD2 4.28Å; V250-L297 HydrophobicContact CG2-CD1 4.26Å; V250-L297 HydrophobicContact CG2-CD2 3.85Å; E251-L297 WeakPolarHBondContact O-CA 3.15Å; I252-L297 HydrophobicContact CB-CD2 4.36Å; I252-L297 HydrophobicContact CD1-CD2 4.32Å; I252-L297 HydrophobicContact CG1-CD2 3.32Å; L282-L297 HydrophobicContact CD2-CD1 4Å; L284-L297 HydrophobicContact CD1-CD1 4.25Å; L284-L297 HydrophobicContact CD1-CD2 4.07Å; L284-L297 HydrophobicContact CD2-CD1 4.49Å
298C94.4Very high84Confident0 Ų053.4 Ų53.40%030%0.303CS..EExtended strand (participates in β ladder)trans-142.6170.2173.666.90000112.3F218 M219 V250 E251 P253 L303F218-C298 CarbonylContact O-C 3.56Å; F218-C298 WeakPolarHBondContact O-CA 3.36Å; F218-C298 WeakPolarHBondContact O-CB 3.23Å; M219-C298 HydrophobicContact SD-CB 3.36Å; M219-C298 WeakPolarHBondContact SD-CB 3.39Å; V250-C298 CarbonylContact C-O 3.57Å; V250-C298 WeakPolarHBondContact CA-O 3.44Å; E251-C298 PolarHBondContact N-O 3.3Å; E251-C298 PolarHBondContact O-N 2.87Å; P253-C298 WeakPolarHBondContact CG-SG 3.47Å; C298-L303 HydrophobicContact CB-CB 4.45Å
299E94.4Very high85.7Confident101 Ų10146 Ų4647%0.47226%0.263SS..SBendtrans-57.5137161.6-172.6170.1178.300109.9P217 F218 G301 A302P217-E299 HydrophobicContact CB-CB 4.47Å; F218-E299 HydrophobicContact CB-CB 4.32Å; F218-E299 PolarHBondContact O-N 3.39Å; E299-G301 PolarHBondContact O-N 2.8Å; E299-A302 HydrophobicContact CB-CB 4.03Å; E299-A302 WeakPolarHBondContact O-CB 3.45Å; E299-A302 PolarHBondContact O-N 3.09Å
300P94.1Very high87.6Confident53 Ų5342.6 Ų42.634%0.34424%0.235SC..THydrogen-bonded Turntrans-55129.4-177.1-27.836.1000113.3T249 E251 V258 A302T249-P300 WeakPolarHBondContact O-CD 3.36Å; E251-P300 HydrophobicContact CB-CB 4.39Å; E251-P300 HydrophobicContact CB-CG 4.47Å; E251-P300 WeakPolarHBondContact OE2-CA 3.4Å; V258-P300 HydrophobicContact CG1-CG 4.09Å; V258-P300 HydrophobicContact CG2-CB 4.36Å; P300-A302 PolarHBondContact O-N 2.81Å
301G91Very high89.2Confident57 Ų5741.6 Ų41.659%0.58823%0.229SC*.THydrogen-bonded Turntrans75.6-3.3-178.900000115.3E251 E299 L303E251-G301 PolarHBondContact OE2-N 3.34Å; E299-G301 PolarHBondContact O-N 2.8Å; G301-L303 VanDerWaalsContact C-N 3.32Å; G301-L303 PolarHBondContact O-N 3.1Å
302A91.4Very high90.4Very high47 Ų4735.3 Ų35.339%0.38820%0.196SC..  trans-70.1-28.2-178.200000113.1P217 E299 P300P217-A302 HydrophobicContact CB-CB 3.84Å; P217-A302 HydrophobicContact CG-CB 4.49Å; E299-A302 HydrophobicContact CB-CB 4.03Å; E299-A302 WeakPolarHBondContact O-CB 3.45Å; E299-A302 PolarHBondContact O-N 3.09Å; P300-A302 PolarHBondContact O-N 2.81Å
303L90.4Very high91.1Very high12 Ų1234.2 Ų34.26%0.06319%0.19CC..  trans-116.3124.7-174.6-162.568.6000112.3M219 P253 L296 C298 G301 Y397 T399M219-L303 HydrophobicContact CE-CD1 4.33Å; M219-L303 HydrophobicContact CE-CD2 3.98Å; M219-L303 HydrophobicContact SD-CD1 4.41Å; M219-L303 HydrophobicContact SD-CD2 4.41Å; P253-L303 HydrophobicContact CG-CB 4.23Å; P253-L303 HydrophobicContact CG-CD2 4.06Å; L296-L303 HydrophobicContact CD1-CD2 3.71Å; C298-L303 HydrophobicContact CB-CB 4.45Å; G301-L303 VanDerWaalsContact C-N 3.32Å; G301-L303 PolarHBondContact O-N 3.1Å; L303-Y397 HydrophobicContact CD2-CD1 3.92Å; L303-Y397 HydrophobicContact CD2-CG 4.21Å; L303-Y397 HydrophobicContact CG-CD1 4.02Å; L303-T399 HydrophobicContact CD1-CG2 3.57Å
304K90.7Very high91.8Very high118 Ų11833 Ų3351%0.51318%0.176SC..  trans-113.3155.7177.3-66.2175.3179.6171.40111.9S306 E431K304-S306 PolarHBondContact O-N 3.01Å; K304-E431 HydrophobicContact CB-CG 4.27Å; K304-E431 HydrophobicContact CD-CG 4.3Å; K304-E431 WeakPolarHBondContact CD-OE1 3.3Å; K304-E431 WeakPolarHBondContact CD-OE2 3.34Å; K304-E431 IonicContact NZ-OE1 3.32Å; K304-E431 IonicContact NZ-OE2 3Å; K304-E431 PolarHBondContact NZ-OE2 2.85Å
305M92.9Very high92.3Very high60 Ų6032.7 Ų32.730%0.29618%0.175SC..EExtended strand (participates in β ladder)trans-72.1129.9176.2-163.3174.2-64.300110.4Y307 Y397 E431M305-Y307 HydrophobicContact CB-CE2 4.38Å; M305-Y307 HydrophobicContact CG-CE2 4.25Å; M305-Y307 HydrophobicContact SD-CE1 4.44Å; M305-Y397 HydrophobicContact CB-CE1 4.41Å; M305-Y397 HydrophobicContact CE-CE2 3.73Å; M305-Y397 WeakPolarHBondContact CE-OH 3.45Å; M305-E431 WeakPolarHBondContact O-CA 3.39Å
306S94.3Very high92.5Very high1 Ų132.7 Ų32.71%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-110132.8178.9-62.30000110.4K304 F392 G395 I396 F430K304-S306 PolarHBondContact O-N 3.01Å; S306-F392 WeakPolarHBondContact O-CD2 3.47Å; S306-G395 CarbonylContact O-C 3.56Å; S306-G395 WeakPolarHBondContact O-CA 3.4Å; S306-I396 PolarHBondContact N-O 2.95Å; S306-I396 PolarHBondContact O-N 2.84Å; S306-F430 CarbonylContact C-O 3.48Å; S306-F430 WeakPolarHBondContact CA-O 3.41Å
307Y95.4Very high92.3Very high42 Ų4235.1 Ų35.117%0.16519%0.192CC..EExtended strand (participates in β ladder)trans-102.7-5.2179.7-63.6-91.8000112.7M305 F392 F430 E431 D432 P433M305-Y307 HydrophobicContact CB-CE2 4.38Å; M305-Y307 HydrophobicContact CG-CE2 4.25Å; M305-Y307 HydrophobicContact SD-CE1 4.44Å; Y307-F392 VanDerWaalsContact C-CD2 3.42Å; Y307-F392 WeakPolarHBondContact O-CB 3.24Å; Y307-F392 PolarHBondContact O-N 3.3Å; Y307-F430 PolarHBondContact N-O 3.3Å; Y307-E431 WeakPolarHBondContact CD2-O 3.17Å; Y307-E431 WeakPolarHBondContact CE2-O 3.23Å; Y307-D432 WeakPolarHBondContact CD2-O 3.34Å; Y307-P433 HydrophobicContact CD1-CB 4.48Å; Y307-P433 HydrophobicContact CD2-CB 4.49Å; Y307-P433 HydrophobicContact CD2-CG 4.49Å; Y307-P433 HydrophobicContact CE1-CB 3.92Å; Y307-P433 HydrophobicContact CE1-CG 4.45Å; Y307-P433 HydrophobicContact CE2-CB 3.95Å; Y307-P433 HydrophobicContact CE2-CG 3.69Å
308G95.3Very high91.9Very high0 Ų040.2 Ų40.20%021%0.211CC..EExtended strand (participates in β ladder)trans-172.7177.8170.700000111.6L390 F430G308-L390 CarbonylContact C-O 3.59Å; G308-L390 WeakPolarHBondContact CA-O 3.49Å; G308-F430 PolarHBondContact O-N 3.27Å
309A94.9Very high91.6Very high0 Ų040.3 Ų40.30%021%0.212CC..EExtended strand (participates in β ladder)trans-148.1153176.600000112V311 M389 L390 F392 T426 H428 L429A309-V311 HydrophobicContact CB-CG1 3.81Å; A309-M389 WeakPolarHBondContact O-CA 3.39Å; A309-L390 PolarHBondContact N-O 2.94Å; A309-L390 PolarHBondContact O-N 3.14Å; A309-F392 HydrophobicContact CB-CZ 3.96Å; A309-T426 HydrophobicContact CB-CG2 4.32Å; A309-H428 CarbonylContact C-O 3.58Å; A309-H428 WeakPolarHBondContact CA-O 3.46Å; A309-H428 WeakPolarHBondContact CB-O 3.27Å; A309-L429 HydrophobicContact CB-CD2 3.85Å
310I93.9Very high91.3Very high0 Ų043.2 Ų43.20%022%0.223CC..EExtended strand (participates in β ladder)trans-95.1135.7154.8-58.5-177.1000107.6F345 F361 A388 L427 H428 F430 W442 L443I310-F345 HydrophobicContact CG2-CZ 3.97Å; I310-F361 HydrophobicContact CD1-CE1 3.59Å; I310-F361 HydrophobicContact CD1-CE2 4.09Å; I310-F361 HydrophobicContact CD1-CZ 3.31Å; I310-F361 HydrophobicContact CG2-CD1 4.49Å; I310-F361 HydrophobicContact CG2-CD2 3.98Å; I310-F361 HydrophobicContact CG2-CE1 4.38Å; I310-F361 HydrophobicContact CG2-CE2 3.87Å; I310-F361 HydrophobicContact CG2-CG 4.31Å; I310-F361 HydrophobicContact CG2-CZ 4.07Å; I310-A388 WeakPolarHBondContact CA-O 3.16Å; I310-L427 PolarHBondContact O-N 3.02Å; I310-H428 HydrophobicContact CB-CB 4.03Å; I310-H428 HydrophobicContact CG1-CB 4.37Å; I310-H428 PolarHBondContact N-O 3.14Å; I310-H428 PolarHBondContact O-N 3.16Å; I310-H428 VanDerWaalsContact O-N 3.14Å; I310-F430 HydrophobicContact CD1-CE2 4.46Å; I310-F430 HydrophobicContact CD1-CZ 4.14Å; I310-F430 HydrophobicContact CG1-CE2 3.8Å; I310-F430 HydrophobicContact CG1-CZ 3.99Å; I310-W442 HydrophobicContact CD1-CH2 3.5Å; I310-W442 HydrophobicContact CD1-CZ2 4.39Å; I310-W442 HydrophobicContact CD1-CZ3 4.17Å; I310-L443 HydrophobicContact CD1-CD1 4.44Å; I310-L443 HydrophobicContact CD1-CD2 3.88Å
311V93.9Very high91.1Very high0 Ų045 Ų450%023%0.225CC..EExtended strand (participates in β ladder)trans-137.4152.3-172.3-55.50000111.2A309 F387 A388 L390 Y404 R425 T426A309-V311 HydrophobicContact CB-CG1 3.81Å; V311-F387 VanDerWaalsContact O-CA 3.26Å; V311-F387 WeakPolarHBondContact O-CA 3.22Å; V311-A388 HydrophobicContact CG2-CB 3.69Å; V311-A388 WeakPolarHBondContact CG2-O 3.13Å; V311-A388 PolarHBondContact N-O 3.31Å; V311-A388 PolarHBondContact O-N 2.77Å; V311-L390 HydrophobicContact CG1-CD1 3.72Å; V311-L390 HydrophobicContact CG1-CG 4.16Å; V311-L390 HydrophobicContact CG2-CD1 3.96Å; V311-L390 HydrophobicContact CG2-CD2 4.33Å; V311-L390 HydrophobicContact CG2-CG 3.95Å; V311-Y404 HydrophobicContact CB-CD1 4.06Å; V311-Y404 HydrophobicContact CB-CE1 3.39Å; V311-Y404 HydrophobicContact CG1-CD1 4.11Å; V311-Y404 HydrophobicContact CG1-CE1 3.92Å; V311-Y404 HydrophobicContact CG2-CD1 4.48Å; V311-Y404 HydrophobicContact CG2-CE1 3.56Å; V311-Y404 HydrophobicContact CG2-CE2 4.19Å; V311-Y404 WeakPolarHBondContact CG2-OH 3.38Å; V311-R425 CarbonylContact C-O 3.53Å; V311-R425 VanDerWaalsContact CA-O 3.24Å; V311-R425 WeakPolarHBondContact CA-O 3.27Å; V311-R425 WeakPolarHBondContact CB-O 2.98Å; V311-T426 HydrophobicContact CG1-CG2 4.1Å
312T92.1Very high91.1Very high26 Ų2644.9 Ų44.916%0.1622%0.215CC..EExtended strand (participates in β ladder)trans-66.8151.5162.354.70000109.4Y404 R425 L427T312-Y404 VanDerWaalsContact O-CE1 3.25Å; T312-Y404 WeakPolarHBondContact O-CE1 3.44Å; T312-Y404 PolarHBondContact O-OH 2.91Å; T312-R425 PolarHBondContact N-O 3.42Å; T312-R425 PolarHBondContact OG1-N 3.45Å; T312-R425 PolarHBondContact OG1-O 2.78Å; T312-L427 HydrophobicContact CG2-CD1 3.55Å; T312-L427 HydrophobicContact CG2-CD2 3.95Å; T312-L427 HydrophobicContact CG2-CG 3.98Å
313L91.6Very high91.3Very high9 Ų942.7 Ų42.75%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-128.9125.4178-175.8141000111.2F344 V373 L386 A388 F422L313-F344 HydrophobicContact CD1-CD1 3.31Å; L313-F344 HydrophobicContact CD1-CE1 3.23Å; L313-F344 HydrophobicContact CD1-CG 4.43Å; L313-F344 HydrophobicContact CD1-CZ 4.32Å; L313-V373 HydrophobicContact CD2-CG1 3.93Å; L313-V373 HydrophobicContact CD2-CG2 4.23Å; L313-L386 HydrophobicContact CB-CB 4Å; L313-L386 HydrophobicContact CD2-CB 3.79Å; L313-L386 HydrophobicContact CD2-CD1 3.8Å; L313-L386 HydrophobicContact CD2-CG 4.42Å; L313-L386 PolarHBondContact N-O 2.82Å; L313-A388 HydrophobicContact CD1-CB 3.94Å; L313-F422 HydrophobicContact CD1-CB 4.24Å; L313-F422 HydrophobicContact CD1-CD2 3.79Å; L313-F422 HydrophobicContact CD1-CE2 4.28Å; L313-F422 HydrophobicContact CD1-CG 3.98Å; L313-F422 HydrophobicContact CG-CB 4.15Å; L313-F422 HydrophobicContact CG-CD2 4.3Å; L313-F422 HydrophobicContact CG-CG 4.4Å
314R89.9Confident91.5Very high99 Ų9942.6 Ų42.637%0.37420%0.197SC..EExtended strand (participates in β ladder)trans-121.9126.3164.9-67.8-169.6176.9113.7-2.5108.8F422 Y423R314-F422 CarbonylContact O-C 3.6Å; R314-F422 WeakPolarHBondContact O-CA 3.42Å; R314-F422 VanDerWaalsContact O-CB 3.25Å; R314-F422 WeakPolarHBondContact O-CB 3.12Å; R314-Y423 HydrophobicContact CB-CD1 4.05Å; R314-Y423 HydrophobicContact CB-CD2 4.36Å; R314-Y423 HydrophobicContact CB-CE1 3.67Å; R314-Y423 HydrophobicContact CB-CE2 4.04Å; R314-Y423 HydrophobicContact CB-CG 4.39Å; R314-Y423 PolarHBondContact N-O 2.84Å; R314-Y423 WeakPolarHBondContact O-CD1 3.02Å; R314-Y423 PolarHBondContact O-N 3.25Å
315R90.9Very high91.6Very high46 Ų4637.4 Ų37.417%0.17418%0.176CC..EExtended strand (participates in β ladder)trans-72139.5174.2175174.4174.6171.21.5109.7P317 Y319 I323 V373 K375R315-P317 WeakPolarHBondContact O-CD 3.37Å; R315-Y319 PolarHBondContact NH2-O 2.93Å; R315-I323 HydrophobicContact CG-CD1 3.94Å; R315-V373 HydrophobicContact CB-CG1 4.18Å; R315-V373 PolarHBondContact NH1-O 3Å; R315-V373 VanDerWaalsContact NH1-O 3.13Å; R315-K375 VanDerWaalsContact NH2-CE 3.32Å
316V88.4Confident91.5Very high1 Ų141.6 Ų41.61%0.00619%0.189CC..  trans-79120.1166.91770000109V131 I135 Y318 Y319 I420 A421 Y423V131-V316 HydrophobicContact CG1-CG1 3.79Å; V131-V316 HydrophobicContact CG1-CG2 4.12Å; V131-V316 HydrophobicContact CG2-CG1 4.31Å; I135-V316 HydrophobicContact CD1-CG2 4.35Å; V316-Y318 HydrophobicContact CG1-CD2 3.99Å; V316-Y318 PolarHBondContact O-N 3.11Å; V316-Y319 WeakPolarHBondContact O-CB 3.48Å; V316-Y319 PolarHBondContact O-N 3.06Å; V316-Y319 VanDerWaalsContact O-N 3.16Å; V316-I420 VanDerWaalsContact CB-O 3.25Å; V316-I420 WeakPolarHBondContact CB-O 3.27Å; V316-I420 HydrophobicContact CG2-CB 4.25Å; V316-I420 HydrophobicContact CG2-CG2 3.78Å; V316-I420 WeakPolarHBondContact CG2-O 3.01Å; V316-A421 PolarHBondContact N-O 3.09Å; V316-Y423 HydrophobicContact CG2-CD1 3.8Å; V316-Y423 HydrophobicContact CG2-CE1 4.16Å
317P85.3Confident91.5Very high66 Ų6644.9 Ų44.943%0.42921%0.206SC..THydrogen-bonded Turntrans-60.8-30.2-175.5-26.235.4000114.1R315 Y319 K375R315-P317 WeakPolarHBondContact O-CD 3.37Å; P317-Y319 VanDerWaalsContact C-N 3.31Å; P317-K375 WeakPolarHBondContact O-CE 3.11Å; P317-K375 PolarHBondContact O-NZ 2.62Å
318Y84.4Confident91.5Very high106 Ų10647.3 Ų47.342%0.41622%0.219SC..THydrogen-bonded Turntrans-78.9-12.8-177.2-48.9-71.4000113.7V131 V316 K320V131-Y318 HydrophobicContact CG2-CD2 3.45Å; V131-Y318 VanDerWaalsContact CG2-CD2 3.45Å; V131-Y318 HydrophobicContact CG2-CE2 3.78Å; V131-Y318 HydrophobicContact CG2-CG 4.46Å; V316-Y318 HydrophobicContact CG1-CD2 3.99Å; V316-Y318 PolarHBondContact O-N 3.11Å; Y318-K320 PolarHBondContact O-N 3.13Å
319Y88.2Confident91.5Very high3 Ų347.4 Ų47.41%0.01222%0.219CC..  trans-76120.4175.9-169.2-101.4000110.7R315 V316 P317 F321 I323 K408 C418 I420 A421R315-Y319 PolarHBondContact NH2-O 2.93Å; V316-Y319 WeakPolarHBondContact O-CB 3.48Å; V316-Y319 PolarHBondContact O-N 3.06Å; V316-Y319 VanDerWaalsContact O-N 3.16Å; P317-Y319 VanDerWaalsContact C-N 3.31Å; Y319-F321 HydrophobicContact CD1-CB 4.36Å; Y319-F321 VanDerWaalsContact CD1-O 3.3Å; Y319-F321 WeakPolarHBondContact CD1-O 3.43Å; Y319-F321 HydrophobicContact CD2-CD2 4.38Å; Y319-F321 HydrophobicContact CE1-CB 3.59Å; Y319-F321 HydrophobicContact CE1-CD2 4.32Å; Y319-F321 HydrophobicContact CE1-CG 4.47Å; Y319-F321 WeakPolarHBondContact CE1-O 3.39Å; Y319-F321 AromaticContact CE2-CD2 3.82Å; Y319-F321 HydrophobicContact CE2-CD2 3.82Å; Y319-F321 AromaticContact CZ-CD2 3.8Å; Y319-I323 HydrophobicContact CD1-CD1 3.78Å; Y319-I323 HydrophobicContact CD1-CG1 3.78Å; Y319-I323 HydrophobicContact CE1-CD1 4.2Å; Y319-I323 HydrophobicContact CE1-CG1 3.71Å; Y319-K408 VanDerWaalsContact OH-CG 3.23Å; Y319-K408 WeakPolarHBondContact OH-CG 3.24Å; Y319-C418 VanDerWaalsContact CD2-O 3.23Å; Y319-C418 WeakPolarHBondContact CD2-O 3.04Å; Y319-I420 WeakPolarHBondContact CB-O 3.35Å; Y319-I420 WeakPolarHBondContact CD2-O 3.3Å; Y319-A421 HydrophobicContact CD1-CB 3.84Å; Y319-A421 HydrophobicContact CD2-CB 3.92Å; Y319-A421 HydrophobicContact CE1-CB 3.67Å; Y319-A421 HydrophobicContact CE2-CB 3.79Å; Y319-A421 HydrophobicContact CG-CB 3.94Å
320K88.1Confident91.4Very high162 Ų16249 Ų4970%0.70423%0.227SC*.  trans-93.1-19-172.8-64.8-175.4179.6177.80114.2Y318 V417Y318-K320 PolarHBondContact O-N 3.13Å; K320-V417 HydrophobicContact CB-CG1 4.24Å; K320-V417 HydrophobicContact CD-CG1 4.2Å; K320-V417 HydrophobicContact CG-CG1 4.24Å
321F89.7Confident91.4Very high90 Ų9049 Ų4940%0.39523%0.227SC..SBendtrans-86.9167.5-175.2-49.9-85000112.3Y319 I411 V417Y319-F321 HydrophobicContact CD1-CB 4.36Å; Y319-F321 VanDerWaalsContact CD1-O 3.3Å; Y319-F321 WeakPolarHBondContact CD1-O 3.43Å; Y319-F321 HydrophobicContact CD2-CD2 4.38Å; Y319-F321 HydrophobicContact CE1-CB 3.59Å; Y319-F321 HydrophobicContact CE1-CD2 4.32Å; Y319-F321 HydrophobicContact CE1-CG 4.47Å; Y319-F321 WeakPolarHBondContact CE1-O 3.39Å; Y319-F321 AromaticContact CE2-CD2 3.82Å; Y319-F321 HydrophobicContact CE2-CD2 3.82Å; Y319-F321 AromaticContact CZ-CD2 3.8Å; F321-I411 HydrophobicContact CD2-CD1 3.74Å; F321-I411 HydrophobicContact CE2-CD1 3.5Å; F321-I411 VanDerWaalsContact CE2-CD1 3.5Å; F321-I411 HydrophobicContact CG-CD1 4.48Å; F321-I411 HydrophobicContact CZ-CD1 4.05Å; F321-I411 HydrophobicContact CZ-CG2 4.5Å; F321-V417 HydrophobicContact CD2-CG1 4.4Å; F321-V417 HydrophobicContact CE2-CB 4.19Å; F321-V417 HydrophobicContact CE2-CG1 3.54Å; F321-V417 HydrophobicContact CZ-CB 4.47Å; F321-V417 HydrophobicContact CZ-CG1 4.08Å
322C91.5Very high91.2Very high55 Ų5549.1 Ų49.137%0.37223%0.227SC..  trans-60.9137.9178-176.30000111.8A324 E372C322-A324 VanDerWaalsContact SG-CB 3.54Å; C322-E372 PolarHBondContact SG-OE1 3.33Å
323I95Very high91Very high1 Ų148 Ų481%0.00522%0.22CC..  trans-120.579.5171.1-55175000107.4R315 Y319 F329 F344 E372 V373 A421 F422R315-I323 HydrophobicContact CG-CD1 3.94Å; Y319-I323 HydrophobicContact CD1-CD1 3.78Å; Y319-I323 HydrophobicContact CD1-CG1 3.78Å; Y319-I323 HydrophobicContact CE1-CD1 4.2Å; Y319-I323 HydrophobicContact CE1-CG1 3.71Å; I323-F329 HydrophobicContact CG2-CZ 4.31Å; I323-F344 HydrophobicContact CG2-CD2 4.48Å; I323-F344 HydrophobicContact CG2-CE1 4.39Å; I323-F344 HydrophobicContact CG2-CE2 3.64Å; I323-F344 HydrophobicContact CG2-CZ 3.58Å; I323-E372 CarbonylContact O-C 3.48Å; I323-E372 WeakPolarHBondContact O-CA 3.14Å; I323-V373 HydrophobicContact CB-CB 4.1Å; I323-V373 HydrophobicContact CG2-CB 3.98Å; I323-V373 HydrophobicContact CG2-CG2 4.05Å; I323-V373 PolarHBondContact O-N 3.18Å; I323-A421 HydrophobicContact CD1-CB 4.02Å; I323-A421 WeakPolarHBondContact CD1-O 3.34Å; I323-A421 HydrophobicContact CG1-CB 4.23Å; I323-F422 HydrophobicContact CD1-CD1 4.47Å; I323-F422 HydrophobicContact CG2-CD1 3.9Å; I323-F422 HydrophobicContact CG2-CE1 4.18Å
324A94.5Very high90.5Very high9 Ų948 Ų487%0.07422%0.223CC..BIsolated β-bridgetrans-105.9147.6-177.500000113.5C322 L327 F344 H371 E372C322-A324 VanDerWaalsContact SG-CB 3.54Å; A324-L327 HydrophobicContact CB-CD1 3.87Å; A324-L327 HydrophobicContact CB-CG 4.12Å; A324-L327 VanDerWaalsContact O-CB 3.29Å; A324-L327 WeakPolarHBondContact O-CB 3.38Å; A324-L327 WeakPolarHBondContact O-CG 3.39Å; A324-L327 PolarHBondContact O-N 3.17Å; A324-F344 VanDerWaalsContact C-CE2 3.45Å; A324-F344 WeakPolarHBondContact O-CE2 3.3Å; A324-H371 CarbonylContact C-O 3.52Å; A324-H371 VanDerWaalsContact CA-O 3.22Å; A324-H371 WeakPolarHBondContact CA-O 3.25Å; A324-H371 WeakPolarHBondContact CB-O 3.39Å; A324-E372 HydrophobicContact CB-CB 4.38Å
325S93.9Very high89.9Confident10 Ų1044.9 Ų44.97%0.0721%0.211CC..THydrogen-bonded Turntrans-59.4146.1174.2-80.50000110.8L327 C342 F344 I370 H371S325-L327 PolarHBondContact O-N 3.27Å; S325-C342 CarbonylContact C-O 3.54Å; S325-F344 WeakPolarHBondContact OG-CD2 3.09Å; S325-F344 PolarHBondContact OG-N 3.21Å; S325-I370 WeakPolarHBondContact CB-O 3.36Å; S325-I370 PolarHBondContact OG-O 3.22Å; S325-H371 PolarHBondContact N-O 3.34Å
326R91.5Very high89.6Confident148 Ų14844.1 Ų44.156%0.55821%0.21SC*.THydrogen-bonded Turntrans73.3-3-174.4-51.6171.1175.7-176-6.1115K341 C342 W369R326-K341 VanDerWaalsContact O-CE 3.3Å; R326-K341 WeakPolarHBondContact O-CE 3.38Å; R326-C342 WeakPolarHBondContact CA-O 3.32Å; R326-C342 PolarHBondContact N-O 2.96Å; R326-W369 HydrophobicContact CG-CH2 4.24Å; R326-W369 HydrophobicContact CG-CZ2 4.36Å
327L94.2Very high89.5Confident70 Ų7045.7 Ų45.737%0.36622%0.219SC..  trans-72.6155.7169.1-62.7-175.5000111.4A324 S325 F329 C342A324-L327 HydrophobicContact CB-CD1 3.87Å; A324-L327 HydrophobicContact CB-CG 4.12Å; A324-L327 VanDerWaalsContact O-CB 3.29Å; A324-L327 WeakPolarHBondContact O-CB 3.38Å; A324-L327 WeakPolarHBondContact O-CG 3.39Å; A324-L327 PolarHBondContact O-N 3.17Å; S325-L327 PolarHBondContact O-N 3.27Å; L327-F329 HydrophobicContact CB-CD2 4.48Å; L327-F329 HydrophobicContact CB-CE2 3.87Å; L327-C342 PolarHBondContact O-N 2.65Å
328Q94.7Very high89.9Confident92 Ų9242.9 Ų42.943%0.4320%0.201SC..EExtended strand (participates in β ladder)trans-98.3131.8175.3-172172.4-68.300110.9P339 A340 K408Q328-P339 HydrophobicContact CG-CB 3.97Å; Q328-A340 WeakPolarHBondContact CA-O 3.29Å; Q328-K408 WeakPolarHBondContact O-CE 3.46Å; Q328-K408 PolarHBondContact O-NZ 3.13Å
329F94.9Very high90.3Very high2 Ų239.2 Ų39.21%0.00919%0.19CC..EExtended strand (participates in β ladder)trans-124.2154173.7-71.1-91.9000109.8I323 L327 I331 P339 A340 C342 F344 K408 A421 F422I323-F329 HydrophobicContact CG2-CZ 4.31Å; L327-F329 HydrophobicContact CB-CD2 4.48Å; L327-F329 HydrophobicContact CB-CE2 3.87Å; F329-I331 HydrophobicContact CB-CD1 4.1Å; F329-I331 PolarHBondContact O-N 3.4Å; F329-P339 CarbonylContact O-C 3.49Å; F329-P339 WeakPolarHBondContact O-CA 3.22Å; F329-A340 PolarHBondContact N-O 3.27Å; F329-A340 PolarHBondContact O-N 3.11Å; F329-C342 HydrophobicContact CD2-CB 4.29Å; F329-F344 HydrophobicContact CE2-CZ 4.39Å; F329-K408 HydrophobicContact CD1-CD 4.39Å; F329-K408 HydrophobicContact CD1-CG 3.98Å; F329-K408 HydrophobicContact CE1-CG 3.94Å; F329-A421 HydrophobicContact CD1-CB 4.11Å; F329-A421 HydrophobicContact CE1-CB 3.71Å; F329-F422 HydrophobicContact CB-CE1 4.36Å; F329-F422 HydrophobicContact CB-CZ 4.24Å; F329-F422 AromaticContact CD1-CE1 3.84Å; F329-F422 HydrophobicContact CD1-CE1 3.84Å; F329-F422 AromaticContact CD2-CE1 3.78Å; F329-F422 HydrophobicContact CD2-CE1 3.78Å; F329-F422 HydrophobicContact CD2-CZ 4.08Å; F329-F422 HydrophobicContact CE1-CE1 4.03Å; F329-F422 AromaticContact CE2-CE1 3.96Å; F329-F422 HydrophobicContact CE2-CE1 3.96Å; F329-F422 AromaticContact CG-CE1 3.72Å; F329-F422 HydrophobicContact CG-CE1 3.72Å; F329-F422 HydrophobicContact CG-CZ 4.03Å; F329-F422 HydrophobicContact CZ-CE1 4.09Å
330Q93.3Very high90.7Very high35 Ų3539 Ų3916%0.16419%0.189CC..EExtended strand (participates in β ladder)trans-80.4114.3167.4-63.4-63.4-14.900107.9T337 T407 L409Q330-T337 HydrophobicContact CB-CG2 4.19Å; Q330-T407 WeakPolarHBondContact CB-OG1 3.32Å; Q330-T407 PolarHBondContact N-O 3.44Å; Q330-T407 PolarHBondContact O-N 3.17Å; Q330-T407 PolarHBondContact O-OG1 3.28Å; Q330-T407 VanDerWaalsContact O-OG1 3.05Å; Q330-L409 HydrophobicContact CB-CD1 4.14Å; Q330-L409 HydrophobicContact CB-CG 4.24Å; Q330-L409 HydrophobicContact CG-CB 4.49Å; Q330-L409 HydrophobicContact CG-CD1 4.29Å; Q330-L409 HydrophobicContact CG-CG 4.35Å
331I93.4Very high91Very high0 Ų036 Ų360%018%0.176CC..EExtended strand (participates in β ladder)trans-95116.6-179.8-58.4-52000108.9F329 I333 T337 I338 A340 L390 F392 Y404 L405 F422F329-I331 HydrophobicContact CB-CD1 4.1Å; F329-I331 PolarHBondContact O-N 3.4Å; I331-I333 HydrophobicContact CG2-CD1 3.45Å; I331-I333 VanDerWaalsContact CG2-CD1 3.45Å; I331-I333 HydrophobicContact CG2-CG1 3.67Å; I331-T337 CarbonylContact O-C 3.6Å; I331-T337 WeakPolarHBondContact O-CA 3.35Å; I331-I338 HydrophobicContact CB-CG2 4.28Å; I331-I338 WeakPolarHBondContact CB-O 3.18Å; I331-I338 PolarHBondContact N-O 3.16Å; I331-I338 PolarHBondContact O-N 3.14Å; I331-A340 HydrophobicContact CB-CB 4.32Å; I331-A340 HydrophobicContact CD1-CB 4.41Å; I331-A340 HydrophobicContact CG1-CB 3.36Å; I331-L390 HydrophobicContact CD1-CD1 4.27Å; I331-L390 HydrophobicContact CD1-CD2 4.24Å; I331-L390 HydrophobicContact CG1-CD1 4.25Å; I331-L390 HydrophobicContact CG2-CD1 4.01Å; I331-F392 HydrophobicContact CG2-CE1 4.26Å; I331-Y404 HydrophobicContact CG2-CD2 4.28Å; I331-L405 CarbonylContact C-O 3.55Å; I331-L405 VanDerWaalsContact CA-O 3.25Å; I331-L405 WeakPolarHBondContact CA-O 3.43Å; I331-F422 HydrophobicContact CD1-CE2 4.3Å; I331-F422 HydrophobicContact CD1-CZ 4.19Å
332C89.9Confident91.3Very high1 Ų131.7 Ų31.71%0.00716%0.157CC..EExtended strand (participates in β ladder)trans-96.1117.4172.5-54.30000108.9I103 E336 Y404 L405I103-C332 HydrophobicContact CG2-CB 4.41Å; C332-E336 WeakPolarHBondContact CA-O 3.25Å; C332-Y404 CarbonylContact O-C 3.53Å; C332-Y404 VanDerWaalsContact O-CA 3.24Å; C332-Y404 WeakPolarHBondContact O-CA 3.24Å; C332-L405 HydrophobicContact CB-CB 4.27Å; C332-L405 PolarHBondContact N-O 2.84Å; C332-L405 PolarHBondContact O-N 3.15Å
333I87.9Confident91.5Very high3 Ų329.3 Ų29.32%0.01514%0.141CC..EExtended strand (participates in β ladder)trans-134.5120.6176.8-67.5162.5000107.9I331 Y335 E336 F392 I396 C398 C402 Y404I331-I333 HydrophobicContact CG2-CD1 3.45Å; I331-I333 VanDerWaalsContact CG2-CD1 3.45Å; I331-I333 HydrophobicContact CG2-CG1 3.67Å; I333-Y335 PolarHBondContact O-N 2.92Å; I333-E336 PolarHBondContact N-O 2.8Å; I333-E336 PolarHBondContact O-N 3.23Å; I333-F392 HydrophobicContact CD1-CE1 3.96Å; I333-F392 HydrophobicContact CD1-CZ 3.63Å; I333-I396 HydrophobicContact CB-CD1 4.34Å; I333-I396 HydrophobicContact CD1-CD1 4.03Å; I333-C398 HydrophobicContact CG2-CB 3.5Å; I333-C402 VanDerWaalsContact CG2-SG 3.54Å; I333-Y404 VanDerWaalsContact CG1-CB 3.43Å
334G80.8Confident91.5Very high10 Ų1029.3 Ų29.310%0.10314%0.141CC..THydrogen-bonded Turntrans56.4-127.9-172.200000110.6G104G104-G334 WeakPolarHBondContact CA-O 3.23Å; G104-G334 PolarHBondContact N-O 3.44Å
335Y77.3Confident91.4Very high32 Ų3228.9 Ų28.913%0.12514%0.137CC..THydrogen-bonded Turntrans-90.1-3.2174.4-63.9-49.1000114.6H221 I333H221-Y335 HydrophobicContact CB-CE2 3.68Å; H221-Y335 AromaticContact CG-CE2 3.83Å; H221-Y335 AromaticContact ND1-CE2 3.72Å; H221-Y335 AromaticContact ND1-CZ 3.95Å; I333-Y335 PolarHBondContact O-N 2.92Å
336E84.2Confident91.2Very high31 Ų3128.7 Ų28.715%0.14514%0.136CC..EExtended strand (participates in β ladder)trans-90.1143.2-178.3-74.2-79-150.100111.1C332 I333 R394 I396C332-E336 WeakPolarHBondContact CA-O 3.25Å; I333-E336 PolarHBondContact N-O 2.8Å; I333-E336 PolarHBondContact O-N 3.23Å; E336-R394 IonicContact OE1-CZ 3.96Å; E336-R394 IonicContact OE1-NH1 3.09Å; E336-R394 PolarHBondContact OE1-NH1 3.1Å; E336-R394 IonicContact OE1-NH2 2.59Å; E336-R394 PolarHBondContact OE1-NH2 3.01Å; E336-R394 IonicContact OE2-CZ 3.48Å; E336-R394 IonicContact OE2-NH1 3.64Å; E336-R394 IonicContact OE2-NH2 3.69Å; E336-R394 PolarHBondContact OE2-NH2 2.81Å; E336-I396 HydrophobicContact CB-CB 4.5Å; E336-I396 HydrophobicContact CB-CG2 4.38Å; E336-I396 HydrophobicContact CG-CB 4.37Å; E336-I396 HydrophobicContact CG-CG2 4.42Å
337T88Confident90.9Very high34 Ų3422.3 Ų22.321%0.20911%0.114CC..EExtended strand (participates in β ladder)trans-127.2120.2168.5-580000108.1R100 Q330 I331 L409R100-T337 VanDerWaalsContact CB-OG1 3.25Å; R100-T337 WeakPolarHBondContact CB-OG1 3.3Å; Q330-T337 HydrophobicContact CB-CG2 4.19Å; I331-T337 CarbonylContact O-C 3.6Å; I331-T337 WeakPolarHBondContact O-CA 3.35Å; T337-L409 HydrophobicContact CG2-CD1 4.17Å
338I92Very high89.9Confident7 Ų720.3 Ų20.34%0.03610%0.103CC..EExtended strand (participates in β ladder)trans-136.1135.7-174.3-164.566.1000111.9I331 A340 F392 T393 R394 I396I331-I338 HydrophobicContact CB-CG2 4.28Å; I331-I338 WeakPolarHBondContact CB-O 3.18Å; I331-I338 PolarHBondContact N-O 3.16Å; I331-I338 PolarHBondContact O-N 3.14Å; I338-A340 PolarHBondContact O-N 3.02Å; I338-F392 HydrophobicContact CG1-CB 4.3Å; I338-F392 HydrophobicContact CG2-CB 4.2Å; I338-F392 HydrophobicContact CG2-CD1 3.81Å; I338-F392 HydrophobicContact CG2-CE1 4.45Å; I338-F392 HydrophobicContact CG2-CG 4.09Å; I338-T393 VanDerWaalsContact CD1-OG1 3.27Å; I338-T393 WeakPolarHBondContact CD1-OG1 3.44Å; I338-T393 WeakPolarHBondContact CG1-OG1 3.43Å; I338-R394 HydrophobicContact CD1-CB 4.5Å; I338-R394 HydrophobicContact CD1-CG 3.57Å; I338-R394 HydrophobicContact CG1-CG 4.36Å; I338-I396 HydrophobicContact CB-CG2 4.28Å; I338-I396 HydrophobicContact CG1-CG2 4.42Å; I338-I396 HydrophobicContact CG2-CD1 4.21Å; I338-I396 HydrophobicContact CG2-CG2 4.32Å
339P94.6Very high88.6Confident28 Ų2820.3 Ų20.318%0.18211%0.111CC..EExtended strand (participates in β ladder)trans-62.1136.2167.8-13.123.2000110.2Q328 F329 T393Q328-P339 HydrophobicContact CG-CB 3.97Å; F329-P339 CarbonylContact O-C 3.49Å; F329-P339 WeakPolarHBondContact O-CA 3.22Å; P339-T393 HydrophobicContact CB-CG2 3.94Å; P339-T393 WeakPolarHBondContact CD-OG1 3.31Å; P339-T393 HydrophobicContact CG-CG2 4.48Å; P339-T393 WeakPolarHBondContact O-CG2 3.42Å; P339-T393 PolarHBondContact O-N 3.15Å; P339-T393 VanDerWaalsContact O-N 3.07Å; P339-T393 PolarHBondContact O-OG1 3.41Å
340A95.4Very high87.1Confident0 Ų023.4 Ų23.40%014%0.143CC..EExtended strand (participates in β ladder)trans-138.9138.2174.900000112Q328 F329 I331 I338 C342 L390 R391 F392Q328-A340 WeakPolarHBondContact CA-O 3.29Å; F329-A340 PolarHBondContact N-O 3.27Å; F329-A340 PolarHBondContact O-N 3.11Å; I331-A340 HydrophobicContact CB-CB 4.32Å; I331-A340 HydrophobicContact CD1-CB 4.41Å; I331-A340 HydrophobicContact CG1-CB 3.36Å; I338-A340 PolarHBondContact O-N 3.02Å; A340-C342 PolarHBondContact O-SG 3.27Å; A340-L390 HydrophobicContact CB-CB 4.39Å; A340-R391 CarbonylContact C-O 3.57Å; A340-R391 WeakPolarHBondContact CA-O 3.43Å; A340-R391 WeakPolarHBondContact CB-O 3.26Å; A340-F392 HydrophobicContact CB-CD1 3.84Å; A340-F392 HydrophobicContact CB-CE1 4.44Å
341K95.1Very high85.8Confident98 Ų9828.6 Ų28.643%0.42617%0.166SC..EExtended strand (participates in β ladder)trans-78.1122.4168.2-168.9171.7-172.3168.40108.6R326 R391R326-K341 VanDerWaalsContact O-CE 3.3Å; R326-K341 WeakPolarHBondContact O-CE 3.38Å; K341-R391 HydrophobicContact CB-CB 4.42Å; K341-R391 PolarHBondContact N-O 3.33Å; K341-R391 PolarHBondContact O-N 3.27Å
342C95.7Very high84.1Confident0 Ų029.9 Ų29.90%017%0.174CC..EExtended strand (participates in β ladder)trans-103.1133.3-173.6-58.60000110.3S325 R326 L327 F329 A340 F344 L390S325-C342 CarbonylContact C-O 3.54Å; R326-C342 WeakPolarHBondContact CA-O 3.32Å; R326-C342 PolarHBondContact N-O 2.96Å; L327-C342 PolarHBondContact O-N 2.65Å; F329-C342 HydrophobicContact CD2-CB 4.29Å; A340-C342 PolarHBondContact O-SG 3.27Å; C342-F344 HydrophobicContact CB-CE1 3.83Å; C342-F344 HydrophobicContact CB-CE2 4.23Å; C342-F344 HydrophobicContact CB-CZ 3.55Å; C342-L390 HydrophobicContact CB-CD2 4.23Å; C342-L390 VanDerWaalsContact SG-CD2 3.58Å
343C95Very high82.4Confident5 Ų532.6 Ų32.63%0.03419%0.188CC..EExtended strand (participates in β ladder)trans-123.7122.6170.7-64.40000109.1W369 A388 M389 F543C343-W369 HydrophobicContact CB-CH2 3.91Å; C343-W369 HydrophobicContact CB-CZ3 3.78Å; C343-A388 CarbonylContact O-C 3.52Å; C343-A388 VanDerWaalsContact O-CA 3.31Å; C343-A388 WeakPolarHBondContact O-CA 3.49Å; C343-M389 HydrophobicContact CB-CB 4.48Å; C343-M389 HydrophobicContact CB-CE 4.15Å; C343-M389 PolarHBondContact N-O 3.08Å; C343-M389 PolarHBondContact O-N 2.97Å; C343-F543 HydrophobicContact CB-CE1 4.22Å; C343-F543 HydrophobicContact CB-CZ 3.8Å
344F95.1Very high80.4Confident1 Ų141.3 Ų41.30%0.00423%0.229CC..EExtended strand (participates in β ladder)trans-100.4144.4-172-53-60000111.8L313 I323 A324 S325 F329 C342 I370 V373 F387 A388 F422L313-F344 HydrophobicContact CD1-CD1 3.31Å; L313-F344 HydrophobicContact CD1-CE1 3.23Å; L313-F344 HydrophobicContact CD1-CG 4.43Å; L313-F344 HydrophobicContact CD1-CZ 4.32Å; I323-F344 HydrophobicContact CG2-CD2 4.48Å; I323-F344 HydrophobicContact CG2-CE1 4.39Å; I323-F344 HydrophobicContact CG2-CE2 3.64Å; I323-F344 HydrophobicContact CG2-CZ 3.58Å; A324-F344 VanDerWaalsContact C-CE2 3.45Å; A324-F344 WeakPolarHBondContact O-CE2 3.3Å; S325-F344 WeakPolarHBondContact OG-CD2 3.09Å; S325-F344 PolarHBondContact OG-N 3.21Å; F329-F344 HydrophobicContact CE2-CZ 4.39Å; C342-F344 HydrophobicContact CB-CE1 3.83Å; C342-F344 HydrophobicContact CB-CE2 4.23Å; C342-F344 HydrophobicContact CB-CZ 3.55Å; F344-I370 HydrophobicContact CB-CB 3.95Å; F344-I370 HydrophobicContact CB-CG2 4.25Å; F344-I370 PolarHBondContact O-N 2.89Å; F344-V373 HydrophobicContact CB-CG2 3.97Å; F344-V373 HydrophobicContact CD1-CG2 4.2Å; F344-V373 HydrophobicContact CD2-CG2 3.81Å; F344-V373 HydrophobicContact CE2-CG2 4.35Å; F344-V373 HydrophobicContact CG-CG2 3.72Å; F344-F387 WeakPolarHBondContact CA-O 3.41Å; F344-A388 HydrophobicContact CD1-CB 3.6Å; F344-A388 HydrophobicContact CE1-CB 3.8Å; F344-F422 HydrophobicContact CE1-CE1 4.33Å; F344-F422 HydrophobicContact CE1-CE2 4.38Å; F344-F422 HydrophobicContact CE1-CZ 4.15Å; F344-F422 HydrophobicContact CZ-CE1 4.01Å; F344-F422 HydrophobicContact CZ-CZ 4.13Å
345F93.2Very high78.6Confident0 Ų046.5 Ų46.50%025%0.25CS..EExtended strand (participates in β ladder)trans-154.6161.4178.253.3-87.3000111I310 F361 Y367 A368 F387 M389 L443 V445I310-F345 HydrophobicContact CG2-CZ 3.97Å; F345-F361 HydrophobicContact CE2-CE2 4.14Å; F345-F361 HydrophobicContact CZ-CE2 4.5Å; F345-Y367 AromaticContact CD2-CD1 3.86Å; F345-Y367 HydrophobicContact CD2-CD1 3.86Å; F345-Y367 HydrophobicContact CD2-CD2 4.42Å; F345-Y367 AromaticContact CD2-CG 3.72Å; F345-Y367 HydrophobicContact CD2-CG 3.72Å; F345-Y367 HydrophobicContact CE2-CD1 4.22Å; F345-Y367 HydrophobicContact CE2-CD2 4.46Å; F345-Y367 HydrophobicContact CE2-CG 4.13Å; F345-A368 CarbonylContact C-O 3.53Å; F345-A368 WeakPolarHBondContact CA-O 3.29Å; F345-A368 WeakPolarHBondContact CB-O 3.43Å; F345-F387 HydrophobicContact CD2-CB 3.64Å; F345-F387 HydrophobicContact CD2-CD2 4.21Å; F345-F387 HydrophobicContact CD2-CG 4.28Å; F345-F387 HydrophobicContact CE1-CB 4.26Å; F345-F387 HydrophobicContact CE2-CB 3.28Å; F345-F387 HydrophobicContact CE2-CD2 4.18Å; F345-F387 AromaticContact CE2-CG 3.89Å; F345-F387 HydrophobicContact CE2-CG 3.89Å; F345-F387 HydrophobicContact CG-CB 4.29Å; F345-F387 HydrophobicContact CZ-CB 3.63Å; F345-F387 PolarHBondContact N-O 2.81Å; F345-F387 PolarHBondContact O-N 2.97Å; F345-M389 HydrophobicContact CE1-CB 4.01Å; F345-L443 HydrophobicContact CZ-CD2 4.44Å; F345-V445 HydrophobicContact CB-CG1 3.77Å; F345-V445 HydrophobicContact CB-CG2 4.06Å; F345-V445 HydrophobicContact CD1-CG2 3.92Å; F345-V445 HydrophobicContact CD2-CG2 3.99Å; F345-V445 HydrophobicContact CE1-CG2 4.32Å; F345-V445 HydrophobicContact CE2-CG2 4.38Å; F345-V445 HydrophobicContact CG-CG1 4.33Å; F345-V445 HydrophobicContact CG-CG2 3.73Å
346A89.7Confident76.9Confident5 Ų553.2 Ų53.24%0.04129%0.288CS..EExtended strand (participates in β ladder)trans-132.7154-175.300000112Y367 A368 I370 C384 H385 L386A346-Y367 CarbonylContact O-C 3.58Å; A346-Y367 VanDerWaalsContact O-CA 3.25Å; A346-Y367 WeakPolarHBondContact O-CA 3.22Å; A346-A368 PolarHBondContact N-O 3.42Å; A346-A368 PolarHBondContact O-N 3.3Å; A346-I370 HydrophobicContact CB-CD1 4.02Å; A346-I370 HydrophobicContact CB-CG1 4Å; A346-C384 HydrophobicContact CB-CB 4.31Å; A346-H385 WeakPolarHBondContact CA-O 3.16Å; A346-L386 HydrophobicContact CB-CD2 3.92Å
347C84.1Confident75Confident14 Ų1459.5 Ų59.510%0.09532%0.315CS..EExtended strand (participates in β ladder)trans-62.9154164.148.60000110.9C352 H385C347-C352 HydrophobicContact CB-CB 4.26Å; C347-C352 WeakPolarHBondContact CB-SG 3.33Å; C347-C352 WeakPolarHBondContact SG-CB 3.34Å; C347-C352 CovalentContact SG-SG 2.06Å; C347-C352 PolarHBondContact SG-SG 3Å; C347-H385 PolarHBondContact N-O 2.8Å; C347-H385 VanDerWaalsContact N-O 3.11Å; C347-H385 VanDerWaalsContact SG-CB 3.6Å; C347-H385 PolarHBondContact SG-N 2.71Å
348E74Confident72.9Confident29 Ų2960.4 Ų60.414%0.13632%0.32CS..PPolyproline II helixtrans-64.1139.5168.7-75.3-176.116800110.4G350 K351 C352 Y446 K539E348-G350 PolarHBondContact O-N 3.13Å; E348-K351 HydrophobicContact CB-CB 4.25Å; E348-K351 HydrophobicContact CB-CD 4.22Å; E348-K351 HydrophobicContact CB-CG 4.42Å; E348-K351 PolarHBondContact O-N 3.04Å; E348-K351 WeakPolarHBondContact OE2-CD 3.33Å; E348-K351 WeakPolarHBondContact OE2-CE 3.46Å; E348-K351 IonicContact OE2-NZ 2.85Å; E348-K351 PolarHBondContact OE2-NZ 3Å; E348-C352 PolarHBondContact O-SG 3.07Å; E348-C352 VanDerWaalsContact O-SG 3.33Å; E348-Y446 WeakPolarHBondContact CG-OH 3.34Å; E348-Y446 PolarHBondContact OE1-OH 3.37Å; E348-K539 IonicContact OE1-NZ 2.7Å; E348-K539 PolarHBondContact OE1-NZ 3.46Å
349P67.7Low70.9Confident91 Ų9164.5 Ų64.559%0.59134%0.342SS*.THydrogen-bonded Turntrans-51.1134.1172.9-2330.8000110.9K351P349-K351 PolarHBondContact O-N 3.2Å
350G63.5Low69.2Low68 Ų6867.5 Ų67.570%0.70136%0.36SS*.THydrogen-bonded Turntrans76.5-12.9-179.100000116.1E348E348-G350 PolarHBondContact O-N 3.13Å
351K65.6Low68Low144 Ų14468.6 Ų68.663%0.62636%0.364SS*.  trans-98.83.4169.1-65.9-172.9-175.7162.90112.9E348 P349 I353E348-K351 HydrophobicContact CB-CB 4.25Å; E348-K351 HydrophobicContact CB-CD 4.22Å; E348-K351 HydrophobicContact CB-CG 4.42Å; E348-K351 PolarHBondContact O-N 3.04Å; E348-K351 WeakPolarHBondContact OE2-CD 3.33Å; E348-K351 WeakPolarHBondContact OE2-CE 3.46Å; E348-K351 IonicContact OE2-NZ 2.85Å; E348-K351 PolarHBondContact OE2-NZ 3Å; P349-K351 PolarHBondContact O-N 3.2Å; K351-I353 PolarHBondContact O-N 3.25Å
352C58.1Low67.2Low26 Ų2669.9 Ų69.918%0.17637%0.37CS..SBendtrans-68.6121.6176.5-61.20000108.5C347 E348 Q354C347-C352 HydrophobicContact CB-CB 4.26Å; C347-C352 WeakPolarHBondContact CB-SG 3.33Å; C347-C352 WeakPolarHBondContact SG-CB 3.34Å; C347-C352 CovalentContact SG-SG 2.06Å; C347-C352 PolarHBondContact SG-SG 3Å; E348-C352 PolarHBondContact O-SG 3.07Å; E348-C352 VanDerWaalsContact O-SG 3.33Å; C352-Q354 PolarHBondContact O-N 2.77Å
353I54.1Low66.4Low58 Ų5875.1 Ų75.130%0.29739%0.393SS..  trans-64.3104.2178.6-55.2164.1000106.6K351 E355 K362 H385K351-I353 PolarHBondContact O-N 3.25Å; I353-E355 HydrophobicContact CG2-CB 4.34Å; I353-E355 HydrophobicContact CG2-CG 4.39Å; I353-E355 PolarHBondContact O-N 2.73Å; I353-K362 HydrophobicContact CD1-CD 3.81Å; I353-K362 VanDerWaalsContact CD1-CE 3.47Å; I353-K362 HydrophobicContact CD1-CG 4.01Å; I353-H385 PolarHBondContact O-CE1 2.91Å; I353-H385 VanDerWaalsContact O-CE1 3.31Å
354Q46.1Very low65.4Low187 Ų18783 Ų8387%0.87443%0.429SS*.  trans-73.879.6165.1-81.7-174.1-12.100107.6C352C352-Q354 PolarHBondContact O-N 2.77Å
355E42.6Very low64.8Low119 Ų11983.8 Ų83.856%0.55644%0.438SS*.  trans-131.4122.7153.5-74.6-170.5179.200107.5I353 K357I353-E355 HydrophobicContact CG2-CB 4.34Å; I353-E355 HydrophobicContact CG2-CG 4.39Å; I353-E355 PolarHBondContact O-N 2.73Å; E355-K357 HydrophobicContact CB-CB 4.41Å; E355-K357 CarbonylContact O-C 3.56Å; E355-K357 PolarHBondContact O-N 2.89Å
356D42.4Very low64.4Low173 Ų17386.8 Ų86.893%0.92545%0.451SS*.SBendtrans-57.51.4170-83.8-43.8000113.4V358D356-V358 VanDerWaalsContact C-N 3.33Å; D356-V358 PolarHBondContact O-N 3.06Å; D356-V358 VanDerWaalsContact O-N 3.12Å
357K42.9Very low64.3Low163 Ų16387.1 Ų87.171%0.70945%0.452SS*.SBendtrans-82.378.2165.4-66-176.5-179.7177.70110.3E355 L359E355-K357 HydrophobicContact CB-CB 4.41Å; E355-K357 CarbonylContact O-C 3.56Å; E355-K357 PolarHBondContact O-N 2.89Å; K357-L359 PolarHBondContact O-N 2.78Å
358V44.3Very low64.6Low53 Ų5387.7 Ų87.732%0.32146%0.457SS..THydrogen-bonded Turntrans3.2-10.9159.6-1770000122.4D356D356-V358 VanDerWaalsContact C-N 3.33Å; D356-V358 PolarHBondContact O-N 3.06Å; D356-V358 VanDerWaalsContact O-N 3.12Å
359L50.6Low65.5Low93 Ų9387.5 Ų87.549%0.48746%0.455SS..THydrogen-bonded Turntrans-139-4.7-150.9-73.2169.4000120.2K357 F361 L427K357-L359 PolarHBondContact O-N 2.78Å; L359-F361 PolarHBondContact O-N 3.02Å; L359-F361 VanDerWaalsContact O-N 3.09Å; L359-L427 HydrophobicContact CD2-CD2 3.72Å
360T57.3Low66.6Low90 Ų9085 Ų8555%0.55244%0.437SS*.  trans-93.473.9-175.941.30000113.5K362T360-K362 PolarHBondContact O-N 2.88Å; T360-K362 VanDerWaalsContact O-N 3.14Å
361F70.7Confident68Low23 Ų2388.1 Ų88.110%0.10143%0.433CS..  trans-62.1110.3158.4169.9-101.5000109.4I310 F345 L359 K363 Y367 F387 L427 W442 L443I310-F361 HydrophobicContact CD1-CE1 3.59Å; I310-F361 HydrophobicContact CD1-CE2 4.09Å; I310-F361 HydrophobicContact CD1-CZ 3.31Å; I310-F361 HydrophobicContact CG2-CD1 4.49Å; I310-F361 HydrophobicContact CG2-CD2 3.98Å; I310-F361 HydrophobicContact CG2-CE1 4.38Å; I310-F361 HydrophobicContact CG2-CE2 3.87Å; I310-F361 HydrophobicContact CG2-CG 4.31Å; I310-F361 HydrophobicContact CG2-CZ 4.07Å; F345-F361 HydrophobicContact CE2-CE2 4.14Å; F345-F361 HydrophobicContact CZ-CE2 4.5Å; L359-F361 PolarHBondContact O-N 3.02Å; L359-F361 VanDerWaalsContact O-N 3.09Å; F361-K363 HydrophobicContact CD1-CG 4.49Å; F361-K363 HydrophobicContact CE1-CG 4.1Å; F361-K363 PolarHBondContact O-N 2.77Å; F361-Y367 HydrophobicContact CD2-CE2 4.5Å; F361-Y367 AromaticContact CD2-CZ 3.99Å; F361-Y367 AromaticContact CE2-CE2 3.82Å; F361-Y367 HydrophobicContact CE2-CE2 3.82Å; F361-Y367 AromaticContact CE2-CZ 3.76Å; F361-Y367 HydrophobicContact CZ-CE2 4.49Å; F361-F387 HydrophobicContact CD2-CD1 4.36Å; F361-F387 HydrophobicContact CD2-CE1 4.39Å; F361-L427 HydrophobicContact CB-CB 3.98Å; F361-L427 HydrophobicContact CB-CD1 3.67Å; F361-L427 HydrophobicContact CB-CG 4.37Å; F361-L427 HydrophobicContact CG-CD1 4.42Å; F361-W442 AromaticContact CE1-CH2 3.77Å; F361-W442 HydrophobicContact CE1-CH2 3.77Å; F361-W442 AromaticContact CE1-CZ3 3.56Å; F361-W442 HydrophobicContact CE1-CZ3 3.56Å; F361-W442 HydrophobicContact CZ-CH2 4.09Å; F361-W442 AromaticContact CZ-CZ3 3.69Å; F361-W442 HydrophobicContact CZ-CZ3 3.69Å; F361-L443 HydrophobicContact CE2-CD1 4.03Å; F361-L443 HydrophobicContact CZ-CD1 3.63Å
362K78.5Confident69.3Low126 Ų12684.2 Ų84.255%0.54842%0.417SS..  trans-82.2112.2177.4-70.4-175.3176.3174.50109.4I353 T360 E364 G365 Y367I353-K362 HydrophobicContact CD1-CD 3.81Å; I353-K362 VanDerWaalsContact CD1-CE 3.47Å; I353-K362 HydrophobicContact CD1-CG 4.01Å; T360-K362 PolarHBondContact O-N 2.88Å; T360-K362 VanDerWaalsContact O-N 3.14Å; K362-E364 PolarHBondContact O-N 3.49Å; K362-E364 VanDerWaalsContact O-N 3.12Å; K362-G365 PolarHBondContact O-N 3.23Å; K362-Y367 PolarHBondContact N-OH 2.88Å; K362-Y367 PolarHBondContact O-OH 3.04Å; K362-Y367 VanDerWaalsContact O-OH 3.06Å
363K78.2Confident70.9Confident110 Ų11083.1 Ų83.148%0.47841%0.409SS..THydrogen-bonded Turntrans-53.7-33.8176.6-70.7-173.5178176.90112.7F361 G365 W442F361-K363 HydrophobicContact CD1-CG 4.49Å; F361-K363 HydrophobicContact CE1-CG 4.1Å; F361-K363 PolarHBondContact O-N 2.77Å; K363-G365 VanDerWaalsContact C-N 3.35Å; K363-W442 HydrophobicContact CB-CE3 3.81Å; K363-W442 HydrophobicContact CB-CZ3 3.9Å; K363-W442 HydrophobicContact CD-CE3 4.45Å; K363-W442 HydrophobicContact CD-CZ3 4.39Å; K363-W442 HydrophobicContact CG-CE3 4.04Å; K363-W442 HydrophobicContact CG-CH2 4.26Å; K363-W442 HydrophobicContact CG-CZ3 3.74Å; K363-W442 VanDerWaalsContact O-O 3.06Å
364E75.6Confident72.4Confident171 Ų17186.3 Ų86.380%0.79942%0.423SS*.THydrogen-bonded Turntrans-89.42.8-178.9-61.8176.8-178.300114.1K362K362-E364 PolarHBondContact O-N 3.49Å; K362-E364 VanDerWaalsContact O-N 3.12Å
365G81.1Confident73.7Confident17 Ų1783.6 Ų83.618%0.17541%0.408CS..  trans-69.5153.917800000113.2K362 K363 Y367K362-G365 PolarHBondContact O-N 3.23Å; K363-G365 VanDerWaalsContact C-N 3.35Å; G365-Y367 WeakPolarHBondContact O-CD2 3.47Å; G365-Y367 WeakPolarHBondContact O-CE2 3.46Å
366E85.1Confident74.7Confident62 Ų6282.5 Ų82.529%0.2941%0.413SS..EExtended strand (participates in β ladder)trans-95.9136.5169.3-64.8-171.7-174.200110.7K444 Y446 K539E366-K444 HydrophobicContact CG-CB 4.41Å; E366-K444 HydrophobicContact CG-CD 4.23Å; E366-Y446 HydrophobicContact CB-CD1 4.43Å; E366-Y446 HydrophobicContact CB-CE1 4.1Å; E366-K539 IonicContact OE2-NZ 3.64Å; E366-K539 PolarHBondContact OE2-NZ 2.77Å
367Y88.6Confident74.9Confident13 Ų1378.5 Ų78.55%0.05140%0.399CS..EExtended strand (participates in β ladder)trans-134134.2-174.8-60.2-84.2000111.7F345 A346 F361 K362 G365 F387 L443 K444 V445 Y446F345-Y367 AromaticContact CD2-CD1 3.86Å; F345-Y367 HydrophobicContact CD2-CD1 3.86Å; F345-Y367 HydrophobicContact CD2-CD2 4.42Å; F345-Y367 AromaticContact CD2-CG 3.72Å; F345-Y367 HydrophobicContact CD2-CG 3.72Å; F345-Y367 HydrophobicContact CE2-CD1 4.22Å; F345-Y367 HydrophobicContact CE2-CD2 4.46Å; F345-Y367 HydrophobicContact CE2-CG 4.13Å; A346-Y367 CarbonylContact O-C 3.58Å; A346-Y367 VanDerWaalsContact O-CA 3.25Å; A346-Y367 WeakPolarHBondContact O-CA 3.22Å; F361-Y367 HydrophobicContact CD2-CE2 4.5Å; F361-Y367 AromaticContact CD2-CZ 3.99Å; F361-Y367 AromaticContact CE2-CE2 3.82Å; F361-Y367 HydrophobicContact CE2-CE2 3.82Å; F361-Y367 AromaticContact CE2-CZ 3.76Å; F361-Y367 HydrophobicContact CZ-CE2 4.49Å; K362-Y367 PolarHBondContact N-OH 2.88Å; K362-Y367 PolarHBondContact O-OH 3.04Å; K362-Y367 VanDerWaalsContact O-OH 3.06Å; G365-Y367 WeakPolarHBondContact O-CD2 3.47Å; G365-Y367 WeakPolarHBondContact O-CE2 3.46Å; Y367-F387 HydrophobicContact CD1-CD2 4.11Å; Y367-F387 HydrophobicContact CD1-CE2 4.21Å; Y367-F387 AromaticContact CE1-CD2 3.96Å; Y367-F387 HydrophobicContact CE1-CD2 3.96Å; Y367-F387 AromaticContact CE1-CE2 3.72Å; Y367-F387 HydrophobicContact CE1-CE2 3.72Å; Y367-F387 HydrophobicContact CE1-CZ 4.4Å; Y367-L443 HydrophobicContact CD2-CD1 4.04Å; Y367-L443 HydrophobicContact CE2-CD1 4.2Å; Y367-K444 PolarHBondContact N-O 2.91Å; Y367-V445 CarbonylContact O-C 3.59Å; Y367-V445 VanDerWaalsContact O-CA 3.3Å; Y367-V445 WeakPolarHBondContact O-CA 2.95Å; Y367-Y446 WeakPolarHBondContact O-CD1 3.19Å; Y367-Y446 PolarHBondContact O-N 2.64Å
368A89.9Confident75.1Confident25 Ų2578.2 Ų78.221%0.20740%0.4CS..EExtended strand (participates in β ladder)trans-81130.8175.600000110.4F345 A346 I370 Y446F345-A368 CarbonylContact C-O 3.53Å; F345-A368 WeakPolarHBondContact CA-O 3.29Å; F345-A368 WeakPolarHBondContact CB-O 3.43Å; A346-A368 PolarHBondContact N-O 3.42Å; A346-A368 PolarHBondContact O-N 3.3Å; A368-I370 PolarHBondContact O-N 3.4Å; A368-Y446 HydrophobicContact CB-CE2 4.17Å
369W92.1Very high74.9Confident25 Ų2584.3 Ų84.310%0.09543%0.425CS..EExtended strand (participates in β ladder)trans-64.2131.7173.5173.3-83.5000111R326 C343 V445 Y446 K447 V542 F543R326-W369 HydrophobicContact CG-CH2 4.24Å; R326-W369 HydrophobicContact CG-CZ2 4.36Å; C343-W369 HydrophobicContact CB-CH2 3.91Å; C343-W369 HydrophobicContact CB-CZ3 3.78Å; W369-V445 HydrophobicContact CB-CG1 4.05Å; W369-V445 HydrophobicContact CE3-CG1 4.04Å; W369-Y446 VanDerWaalsContact CB-O 3.25Å; W369-Y446 WeakPolarHBondContact CB-O 3.32Å; W369-Y446 PolarHBondContact N-O 3.05Å; W369-K447 HydrophobicContact CB-CG 3.57Å; W369-K447 VanDerWaalsContact CD2-CE 3.4Å; W369-K447 HydrophobicContact CD2-CG 4.46Å; W369-K447 HydrophobicContact CG-CD 4.19Å; W369-K447 HydrophobicContact CG-CG 3.69Å; W369-V542 HydrophobicContact CB-CG2 4.35Å; W369-V542 HydrophobicContact CD2-CG2 4.31Å; W369-V542 HydrophobicContact CE3-CB 4.14Å; W369-V542 HydrophobicContact CE3-CG1 3.7Å; W369-V542 HydrophobicContact CE3-CG2 3.91Å; W369-V542 HydrophobicContact CH2-CG1 4.28Å; W369-V542 HydrophobicContact CZ3-CB 4.42Å; W369-V542 HydrophobicContact CZ3-CG1 3.56Å; W369-F543 HydrophobicContact CE3-CZ 4.44Å; W369-F543 HydrophobicContact CZ3-CE1 4.07Å; W369-F543 AromaticContact CZ3-CZ 3.85Å; W369-F543 HydrophobicContact CZ3-CZ 3.85Å
370I92.2Very high74.8Confident40 Ų4082.3 Ų82.321%0.20542%0.422CS..EExtended strand (participates in β ladder)trans-103.9117.3175-61.6-59.9000108.8S325 F344 A346 A368 E372 V373 L386S325-I370 WeakPolarHBondContact CB-O 3.36Å; S325-I370 PolarHBondContact OG-O 3.22Å; F344-I370 HydrophobicContact CB-CB 3.95Å; F344-I370 HydrophobicContact CB-CG2 4.25Å; F344-I370 PolarHBondContact O-N 2.89Å; A346-I370 HydrophobicContact CB-CD1 4.02Å; A346-I370 HydrophobicContact CB-CG1 4Å; A368-I370 PolarHBondContact O-N 3.4Å; I370-E372 VanDerWaalsContact CG2-C 3.48Å; I370-E372 WeakPolarHBondContact CG2-O 3.44Å; I370-V373 HydrophobicContact CG2-CG2 4.05Å; I370-L386 HydrophobicContact CG1-CD2 4.18Å
371H91.6Very high74.2Confident133 Ų13387 Ų8762%0.61644%0.438SS*.SBendtrans-68.8-48.4174.9-175.1-82.4000110.7A324 S325A324-H371 CarbonylContact C-O 3.52Å; A324-H371 VanDerWaalsContact CA-O 3.22Å; A324-H371 WeakPolarHBondContact CA-O 3.25Å; A324-H371 WeakPolarHBondContact CB-O 3.39Å; S325-H371 PolarHBondContact N-O 3.34Å
372E93.6Very high73.3Confident62 Ų6291.2 Ų91.229%0.2946%0.461SS..BIsolated β-bridgetrans-139137.6179-179.1172.4-171.600110.5C322 I323 A324 I370 H374C322-E372 PolarHBondContact SG-OE1 3.33Å; I323-E372 CarbonylContact O-C 3.48Å; I323-E372 WeakPolarHBondContact O-CA 3.14Å; A324-E372 HydrophobicContact CB-CB 4.38Å; I370-E372 VanDerWaalsContact CG2-C 3.48Å; I370-E372 WeakPolarHBondContact CG2-O 3.44Å; E372-H374 PolarHBondContact O-CD2 2.8Å; E372-H374 PolarHBondContact O-N 3.34Å; E372-H374 IonicContact OE2-CE1 3.41Å
373V91.6Very high72.4Confident3 Ų388.7 Ų88.72%0.01846%0.464CS..  trans-84.899176.6-177.40000109L313 R315 I323 F344 I370 L386L313-V373 HydrophobicContact CD2-CG1 3.93Å; L313-V373 HydrophobicContact CD2-CG2 4.23Å; R315-V373 HydrophobicContact CB-CG1 4.18Å; R315-V373 PolarHBondContact NH1-O 3Å; R315-V373 VanDerWaalsContact NH1-O 3.13Å; I323-V373 HydrophobicContact CB-CB 4.1Å; I323-V373 HydrophobicContact CG2-CB 3.98Å; I323-V373 HydrophobicContact CG2-CG2 4.05Å; I323-V373 PolarHBondContact O-N 3.18Å; F344-V373 HydrophobicContact CB-CG2 3.97Å; F344-V373 HydrophobicContact CD1-CG2 4.2Å; F344-V373 HydrophobicContact CD2-CG2 3.81Å; F344-V373 HydrophobicContact CE2-CG2 4.35Å; F344-V373 HydrophobicContact CG-CG2 3.72Å; I370-V373 HydrophobicContact CG2-CG2 4.05Å; V373-L386 HydrophobicContact CG1-CD1 3.89Å
374H86.2Confident72.1Confident125 Ų12585.5 Ų85.558%0.57946%0.455SS*.PPolyproline II helixtrans-77170.7176.8-61.7-69.3000112.3E372 S376E372-H374 PolarHBondContact O-CD2 2.8Å; E372-H374 PolarHBondContact O-N 3.34Å; E372-H374 IonicContact OE2-CE1 3.41Å; H374-S376 PolarHBondContact O-N 2.83Å
375K72.4Confident72.4Confident130 Ų13081.8 Ų81.857%0.56544%0.437SS*.PPolyproline II helixtrans-73.5118.2172.2-67.7-172.2177.6-178.70105.8R315 P317 S377R315-K375 VanDerWaalsContact NH2-CE 3.32Å; P317-K375 WeakPolarHBondContact O-CE 3.11Å; P317-K375 PolarHBondContact O-NZ 2.62Å; K375-S377 PolarHBondContact O-N 2.83Å
376S64.5Low72.8Confident95 Ų9583.1 Ų83.166%0.66444%0.44SS*.PPolyproline II helixtrans-65.112716849.80000108H374 E378H374-S376 PolarHBondContact O-N 2.83Å; S376-E378 PolarHBondContact O-N 3.04Å
377S46.5Very low73.2Confident89 Ų8981.2 Ų81.262%0.62243%0.431SS*.PPolyproline II helixtrans-59.6117.1156.28.90000105.9K375 E379 A380K375-S377 PolarHBondContact O-N 2.83Å; S377-E379 PolarHBondContact O-N 2.97Å; S377-A380 PolarHBondContact O-N 2.86Å; S377-A380 VanDerWaalsContact O-N 3.13Å
378E45.7Very low73.5Confident157 Ų15780.6 Ų80.673%0.73443%0.429SS*.THydrogen-bonded Turntrans-59.3-5.5-178.1-68.9174.6163.900112.9S376S376-E378 PolarHBondContact O-N 3.04Å
379E40.6Very low73.7Confident181 Ų18179.4 Ų79.485%0.84642%0.419SS*.THydrogen-bonded Turntrans-104.75.7-178.4-64.9174.2174.200114.4S377 E381S377-E379 PolarHBondContact O-N 2.97Å; E379-E381 PolarHBondContact O-N 2.86Å
380A48.1Very low73.8Confident51 Ų5178.2 Ų78.242%0.42141%0.414SS..  trans-70.5106.4173.500000109.3S377 N382 A383S377-A380 PolarHBondContact O-N 2.86Å; S377-A380 VanDerWaalsContact O-N 3.13Å; A380-N382 PolarHBondContact O-N 3.47Å; A380-A383 PolarHBondContact O-N 2.94Å
381E45.2Very low74Confident190 Ų19079.1 Ų79.189%0.88842%0.415SS*.THydrogen-bonded Turntrans-50.7-14177.2-71.9-179.5152.400114.1E379E379-E381 PolarHBondContact O-N 2.86Å
382N51.1Low74.1Confident110 Ų11072.8 Ų72.859%0.58839%0.386SS*.THydrogen-bonded Turntrans-122.849.9175.5-74.9-45.9000112.9A380 C384A380-N382 PolarHBondContact O-N 3.47Å; N382-C384 PolarHBondContact O-N 2.65Å; N382-C384 PolarHBondContact O-SG 2.91Å
383A61.5Low74.2Confident74 Ų7472.8 Ų72.861%0.61239%0.39SS*.  trans-57.3110.6175.400000111A380A380-A383 PolarHBondContact O-N 2.94Å
384C71.4Confident74.2Confident43 Ų4377.9 Ų77.929%0.29141%0.409SS..PPolyproline II helixtrans-78.7134.7179.8-61.90000110.7A346 N382 L386A346-C384 HydrophobicContact CB-CB 4.31Å; N382-C384 PolarHBondContact O-N 2.65Å; N382-C384 PolarHBondContact O-SG 2.91Å; C384-L386 PolarHBondContact O-N 3.02Å
385H81.1Confident74.5Confident92 Ų9272.3 Ų72.343%0.42639%0.385SS..PPolyproline II helixtrans-62.5126.7168.6-66.2120.7000110.8A346 C347 I353 F387A346-H385 WeakPolarHBondContact CA-O 3.16Å; C347-H385 PolarHBondContact N-O 2.8Å; C347-H385 VanDerWaalsContact N-O 3.11Å; C347-H385 VanDerWaalsContact SG-CB 3.6Å; C347-H385 PolarHBondContact SG-N 2.71Å; I353-H385 PolarHBondContact O-CE1 2.91Å; I353-H385 VanDerWaalsContact O-CE1 3.31Å; H385-F387 HydrophobicContact CB-CE2 3.87Å; H385-F387 HydrophobicContact CB-CZ 3.96Å; H385-F387 WeakPolarHBondContact O-CE2 3.45Å
386L89.9Confident75.5Confident46 Ų4666.2 Ų66.224%0.24136%0.359CS..EExtended strand (participates in β ladder)trans-96.3144.1176.4-65.8168.3000110.5L313 A346 I370 V373 C384L313-L386 HydrophobicContact CB-CB 4Å; L313-L386 HydrophobicContact CD2-CB 3.79Å; L313-L386 HydrophobicContact CD2-CD1 3.8Å; L313-L386 HydrophobicContact CD2-CG 4.42Å; L313-L386 PolarHBondContact N-O 2.82Å; A346-L386 HydrophobicContact CB-CD2 3.92Å; I370-L386 HydrophobicContact CG1-CD2 4.18Å; V373-L386 HydrophobicContact CG1-CD1 3.89Å; C384-L386 PolarHBondContact O-N 3.02Å
387F92.8Very high76.7Confident21 Ų2163 Ų639%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-133160.5177.8-57.6-85000109.9V311 F344 F345 F361 Y367 H385 L427V311-F387 VanDerWaalsContact O-CA 3.26Å; V311-F387 WeakPolarHBondContact O-CA 3.22Å; F344-F387 WeakPolarHBondContact CA-O 3.41Å; F345-F387 HydrophobicContact CD2-CB 3.64Å; F345-F387 HydrophobicContact CD2-CD2 4.21Å; F345-F387 HydrophobicContact CD2-CG 4.28Å; F345-F387 HydrophobicContact CE1-CB 4.26Å; F345-F387 HydrophobicContact CE2-CB 3.28Å; F345-F387 HydrophobicContact CE2-CD2 4.18Å; F345-F387 AromaticContact CE2-CG 3.89Å; F345-F387 HydrophobicContact CE2-CG 3.89Å; F345-F387 HydrophobicContact CG-CB 4.29Å; F345-F387 HydrophobicContact CZ-CB 3.63Å; F345-F387 PolarHBondContact N-O 2.81Å; F345-F387 PolarHBondContact O-N 2.97Å; F361-F387 HydrophobicContact CD2-CD1 4.36Å; F361-F387 HydrophobicContact CD2-CE1 4.39Å; Y367-F387 HydrophobicContact CD1-CD2 4.11Å; Y367-F387 HydrophobicContact CD1-CE2 4.21Å; Y367-F387 AromaticContact CE1-CD2 3.96Å; Y367-F387 HydrophobicContact CE1-CD2 3.96Å; Y367-F387 AromaticContact CE1-CE2 3.72Å; Y367-F387 HydrophobicContact CE1-CE2 3.72Å; Y367-F387 HydrophobicContact CE1-CZ 4.4Å; H385-F387 HydrophobicContact CB-CE2 3.87Å; H385-F387 HydrophobicContact CB-CZ 3.96Å; H385-F387 WeakPolarHBondContact O-CE2 3.45Å; F387-L427 HydrophobicContact CD1-CD1 3.71Å; F387-L427 HydrophobicContact CE1-CD1 3.67Å
388A94.7Very high78.7Confident0 Ų059.1 Ų59.10%031%0.305CS..EExtended strand (participates in β ladder)trans-133.6146.216900000110.9I310 V311 L313 C343 F344 L390I310-A388 WeakPolarHBondContact CA-O 3.16Å; V311-A388 HydrophobicContact CG2-CB 3.69Å; V311-A388 WeakPolarHBondContact CG2-O 3.13Å; V311-A388 PolarHBondContact N-O 3.31Å; V311-A388 PolarHBondContact O-N 2.77Å; L313-A388 HydrophobicContact CD1-CB 3.94Å; C343-A388 CarbonylContact O-C 3.52Å; C343-A388 VanDerWaalsContact O-CA 3.31Å; C343-A388 WeakPolarHBondContact O-CA 3.49Å; F344-A388 HydrophobicContact CD1-CB 3.6Å; F344-A388 HydrophobicContact CE1-CB 3.8Å; A388-L390 HydrophobicContact CB-CD2 4.02Å
389M94.7Very high80.6Confident0 Ų053.4 Ų53.40%028%0.281CS..EExtended strand (participates in β ladder)trans-99.4120160.4-178.9-175.568.400107.9A309 C343 F345 R391 F435 I440 F543A309-M389 WeakPolarHBondContact O-CA 3.39Å; C343-M389 HydrophobicContact CB-CB 4.48Å; C343-M389 HydrophobicContact CB-CE 4.15Å; C343-M389 PolarHBondContact N-O 3.08Å; C343-M389 PolarHBondContact O-N 2.97Å; F345-M389 HydrophobicContact CE1-CB 4.01Å; M389-R391 HydrophobicContact CE-CG 4.37Å; M389-F435 HydrophobicContact CG-CZ 4.31Å; M389-F435 HydrophobicContact SD-CZ 4.17Å; M389-I440 HydrophobicContact SD-CD1 3.31Å; M389-I440 WeakPolarHBondContact SD-CD1 3.15Å; M389-F543 HydrophobicContact CE-CD1 3.82Å; M389-F543 HydrophobicContact CE-CE1 3.25Å; M389-F543 HydrophobicContact CE-CE2 4.11Å; M389-F543 HydrophobicContact CE-CG 4.47Å; M389-F543 HydrophobicContact CE-CZ 3.42Å; M389-F543 VanDerWaalsContact CE-CZ 3.42Å; M389-F543 HydrophobicContact SD-CE1 4.35Å; M389-F543 HydrophobicContact SD-CE2 4.32Å; M389-F543 HydrophobicContact SD-CZ 4.2Å
390L95.5Very high82.8Confident0 Ų050.2 Ų50.20%027%0.269CS..EExtended strand (participates in β ladder)trans-100.8126.3178-51.3-176.6000109G308 A309 V311 I331 A340 C342 A388 F392 Y404G308-L390 CarbonylContact C-O 3.59Å; G308-L390 WeakPolarHBondContact CA-O 3.49Å; A309-L390 PolarHBondContact N-O 2.94Å; A309-L390 PolarHBondContact O-N 3.14Å; V311-L390 HydrophobicContact CG1-CD1 3.72Å; V311-L390 HydrophobicContact CG1-CG 4.16Å; V311-L390 HydrophobicContact CG2-CD1 3.96Å; V311-L390 HydrophobicContact CG2-CD2 4.33Å; V311-L390 HydrophobicContact CG2-CG 3.95Å; I331-L390 HydrophobicContact CD1-CD1 4.27Å; I331-L390 HydrophobicContact CD1-CD2 4.24Å; I331-L390 HydrophobicContact CG1-CD1 4.25Å; I331-L390 HydrophobicContact CG2-CD1 4.01Å; A340-L390 HydrophobicContact CB-CB 4.39Å; C342-L390 HydrophobicContact CB-CD2 4.23Å; C342-L390 VanDerWaalsContact SG-CD2 3.58Å; A388-L390 HydrophobicContact CB-CD2 4.02Å; L390-F392 HydrophobicContact CB-CD1 4.28Å; L390-F392 HydrophobicContact CB-CE1 3.67Å; L390-F392 HydrophobicContact CB-CZ 4.37Å; L390-F392 HydrophobicContact CD1-CE1 4.12Å; L390-Y404 HydrophobicContact CD1-CD2 4.18Å; L390-Y404 HydrophobicContact CD1-CE2 4.16Å
391R94.8Very high84.5Confident59 Ų5949.1 Ų49.122%0.22326%0.262CS..EExtended strand (participates in β ladder)trans-110.1105.8172.6-68.1-176.8168.6159.5-2.9109.6A340 K341 M389 F435A340-R391 CarbonylContact C-O 3.57Å; A340-R391 WeakPolarHBondContact CA-O 3.43Å; A340-R391 WeakPolarHBondContact CB-O 3.26Å; K341-R391 HydrophobicContact CB-CB 4.42Å; K341-R391 PolarHBondContact N-O 3.33Å; K341-R391 PolarHBondContact O-N 3.27Å; M389-R391 HydrophobicContact CE-CG 4.37Å; R391-F435 HydrophobicContact CB-CE1 4.36Å; R391-F435 HydrophobicContact CG-CE1 3.69Å; R391-F435 HydrophobicContact CG-CZ 4.11Å
392F95.1Very high86.3Confident1 Ų140.3 Ų40.30%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-75.9145.8-175.7-51.4-37.5000111.4S306 Y307 A309 I331 I333 I338 A340 L390 R394 I396 R436S306-F392 WeakPolarHBondContact O-CD2 3.47Å; Y307-F392 VanDerWaalsContact C-CD2 3.42Å; Y307-F392 WeakPolarHBondContact O-CB 3.24Å; Y307-F392 PolarHBondContact O-N 3.3Å; A309-F392 HydrophobicContact CB-CZ 3.96Å; I331-F392 HydrophobicContact CG2-CE1 4.26Å; I333-F392 HydrophobicContact CD1-CE1 3.96Å; I333-F392 HydrophobicContact CD1-CZ 3.63Å; I338-F392 HydrophobicContact CG1-CB 4.3Å; I338-F392 HydrophobicContact CG2-CB 4.2Å; I338-F392 HydrophobicContact CG2-CD1 3.81Å; I338-F392 HydrophobicContact CG2-CE1 4.45Å; I338-F392 HydrophobicContact CG2-CG 4.09Å; A340-F392 HydrophobicContact CB-CD1 3.84Å; A340-F392 HydrophobicContact CB-CE1 4.44Å; L390-F392 HydrophobicContact CB-CD1 4.28Å; L390-F392 HydrophobicContact CB-CE1 3.67Å; L390-F392 HydrophobicContact CB-CZ 4.37Å; L390-F392 HydrophobicContact CD1-CE1 4.12Å; F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 WeakPolarHBondContact CB-O 3.45Å; F392-I396 HydrophobicContact CD2-CD1 3.95Å; F392-I396 HydrophobicContact CD2-CG1 3.75Å; F392-I396 HydrophobicContact CE2-CD1 3.71Å; F392-I396 HydrophobicContact CE2-CG1 3.8Å; F392-I396 HydrophobicContact CG-CD1 4.49Å; F392-I396 HydrophobicContact CZ-CD1 4.05Å; F392-R436 PolarHBondContact O-NE 3.35Å; F392-R436 PolarHBondContact O-NH2 3.3Å
393T93.7Very high88Confident61 Ų6135.7 Ų35.737%0.37420%0.197SC..EExtended strand (participates in β ladder)trans-78.2-9.9177.254.50000114.8I338 P339 R436I338-T393 VanDerWaalsContact CD1-OG1 3.27Å; I338-T393 WeakPolarHBondContact CD1-OG1 3.44Å; I338-T393 WeakPolarHBondContact CG1-OG1 3.43Å; P339-T393 HydrophobicContact CB-CG2 3.94Å; P339-T393 WeakPolarHBondContact CD-OG1 3.31Å; P339-T393 HydrophobicContact CG-CG2 4.48Å; P339-T393 WeakPolarHBondContact O-CG2 3.42Å; P339-T393 PolarHBondContact O-N 3.15Å; P339-T393 VanDerWaalsContact O-N 3.07Å; P339-T393 PolarHBondContact O-OG1 3.41Å; T393-R436 PolarHBondContact O-NH1 3.37Å; T393-R436 PolarHBondContact O-NH2 3.07Å
394R93.1Very high89.3Confident111 Ų11132.1 Ų32.142%0.41917%0.168SC..EExtended strand (participates in β ladder)trans-146168.9160.172.1-174.7165.281.6-2.7110E336 I338 F392 I396E336-R394 IonicContact OE1-CZ 3.96Å; E336-R394 IonicContact OE1-NH1 3.09Å; E336-R394 PolarHBondContact OE1-NH1 3.1Å; E336-R394 IonicContact OE1-NH2 2.59Å; E336-R394 PolarHBondContact OE1-NH2 3.01Å; E336-R394 IonicContact OE2-CZ 3.48Å; E336-R394 IonicContact OE2-NH1 3.64Å; E336-R394 IonicContact OE2-NH2 3.69Å; E336-R394 PolarHBondContact OE2-NH2 2.81Å; I338-R394 HydrophobicContact CD1-CB 4.5Å; I338-R394 HydrophobicContact CD1-CG 3.57Å; I338-R394 HydrophobicContact CG1-CG 4.36Å; F392-R394 VanDerWaalsContact C-N 3.33Å; F392-R394 WeakPolarHBondContact CB-O 3.45Å; R394-I396 HydrophobicContact CG-CG2 4.44Å
395G92.9Very high90.3Very high8 Ų830.1 Ų30.18%0.08215%0.154CC..EExtended strand (participates in β ladder)trans-69140.2169.800000110.9S306S306-G395 CarbonylContact O-C 3.56Å; S306-G395 WeakPolarHBondContact O-CA 3.4Å
396I92.4Very high90.8Very high1 Ų125.7 Ų25.71%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-130.3157.5177.363167.7000110.3S306 I333 E336 I338 F392 R394S306-I396 PolarHBondContact N-O 2.95Å; S306-I396 PolarHBondContact O-N 2.84Å; I333-I396 HydrophobicContact CB-CD1 4.34Å; I333-I396 HydrophobicContact CD1-CD1 4.03Å; E336-I396 HydrophobicContact CB-CB 4.5Å; E336-I396 HydrophobicContact CB-CG2 4.38Å; E336-I396 HydrophobicContact CG-CB 4.37Å; E336-I396 HydrophobicContact CG-CG2 4.42Å; I338-I396 HydrophobicContact CB-CG2 4.28Å; I338-I396 HydrophobicContact CG1-CG2 4.42Å; I338-I396 HydrophobicContact CG2-CD1 4.21Å; I338-I396 HydrophobicContact CG2-CG2 4.32Å; F392-I396 HydrophobicContact CD2-CD1 3.95Å; F392-I396 HydrophobicContact CD2-CG1 3.75Å; F392-I396 HydrophobicContact CE2-CD1 3.71Å; F392-I396 HydrophobicContact CE2-CG1 3.8Å; F392-I396 HydrophobicContact CG-CD1 4.49Å; F392-I396 HydrophobicContact CZ-CD1 4.05Å; R394-I396 HydrophobicContact CG-CG2 4.44Å
397Y89.9Confident90.8Very high28 Ų2823.5 Ų23.511%0.1112%0.122CC..EExtended strand (participates in β ladder)trans-89.8119.1171.7-69.3-79.3000109.6P253 M254 L303 M305P253-Y397 HydrophobicContact CB-CD1 3.58Å; P253-Y397 HydrophobicContact CB-CD2 4.5Å; P253-Y397 HydrophobicContact CB-CE1 3.33Å; P253-Y397 HydrophobicContact CB-CE2 4.32Å; P253-Y397 HydrophobicContact CB-CG 4.16Å; P253-Y397 PolarHBondContact O-OH 2.85Å; M254-Y397 HydrophobicContact CG-CD2 4.01Å; M254-Y397 HydrophobicContact CG-CE2 4.19Å; L303-Y397 HydrophobicContact CD2-CD1 3.92Å; L303-Y397 HydrophobicContact CD2-CG 4.21Å; L303-Y397 HydrophobicContact CG-CD1 4.02Å; M305-Y397 HydrophobicContact CB-CE1 4.41Å; M305-Y397 HydrophobicContact CE-CE2 3.73Å; M305-Y397 WeakPolarHBondContact CE-OH 3.45Å
398C88.3Confident90.6Very high7 Ų725.2 Ų25.25%0.04713%0.13CC..  trans-153.5156176.560.20000111I333 L429I333-C398 HydrophobicContact CG2-CB 3.5Å; C398-L429 VanDerWaalsContact O-CD1 3.27Å; C398-L429 WeakPolarHBondContact O-CD1 3.31Å
399T85.3Confident89.6Confident38 Ų3828.1 Ų28.123%0.23315%0.145CC..  trans-102164.3-17952.30000112.1M219 L303 C402 T426M219-T399 HydrophobicContact CE-CG2 3.8Å; M219-T399 HydrophobicContact CG-CG2 4.42Å; M219-T399 HydrophobicContact SD-CG2 4.19Å; L303-T399 HydrophobicContact CD1-CG2 3.57Å; T399-C402 PolarHBondContact O-SG 3.31Å; T399-T426 PolarHBondContact O-OG1 2.06Å
400L86.6Confident88.5Confident114 Ų11435.2 Ų35.260%0.59718%0.178SC*.THydrogen-bonded Turntrans-68.9146.6168.2-166.466.8000109.8C402 L427L400-C402 PolarHBondContact O-N 2.76Å; L400-L427 WeakPolarHBondContact CD1-O 3.33Å
401G83.7Confident87.3Confident27 Ų2736.7 Ų36.728%0.27819%0.185SC..THydrogen-bonded Turntrans76.4-6.3179.500000115.6T426G401-T426 WeakPolarHBondContact CA-O 3.33Å; G401-T426 PolarHBondContact N-O 2.94Å; G401-T426 PolarHBondContact N-OG1 3.33Å
402C83.3Confident85.9Confident5 Ų540 Ų403%0.03420%0.204CC..  trans-65.8143.4-179.669.10000112.4I333 T399 L400 R425 T426I333-C402 VanDerWaalsContact CG2-SG 3.54Å; T399-C402 PolarHBondContact O-SG 3.31Å; L400-C402 PolarHBondContact O-N 2.76Å; C402-R425 CarbonylContact O-C 3.6Å; C402-R425 VanDerWaalsContact O-CA 3.24Å; C402-R425 WeakPolarHBondContact O-CA 3.25Å; C402-T426 PolarHBondContact N-OG1 2.89Å; C402-T426 VanDerWaalsContact N-OG1 3.13Å; C402-T426 PolarHBondContact O-N 3.42Å; C402-T426 WeakPolarHBondContact SG-CG2 3.14Å; C402-T426 PolarHBondContact SG-OG1 3.31Å
403N86.6Confident84.1Confident13 Ų1343.3 Ų43.37%0.0723%0.225CC..EExtended strand (participates in β ladder)trans-69.6147.1172.9-65.9-35.6000111.2G424 R425N403-G424 WeakPolarHBondContact CA-O 3.33Å; N403-R425 VanDerWaalsContact OD1-CG 3.31Å; N403-R425 WeakPolarHBondContact OD1-CG 3.31Å; N403-R425 PolarHBondContact OD1-NE 2.98Å; N403-R425 VanDerWaalsContact OD1-NE 3.08Å
404Y90.4Very high82.4Confident0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-140.8160.9174.182.8-83000112.9V311 T312 I331 C332 I333 L390 F422 Y423 G424V311-Y404 HydrophobicContact CB-CD1 4.06Å; V311-Y404 HydrophobicContact CB-CE1 3.39Å; V311-Y404 HydrophobicContact CG1-CD1 4.11Å; V311-Y404 HydrophobicContact CG1-CE1 3.92Å; V311-Y404 HydrophobicContact CG2-CD1 4.48Å; V311-Y404 HydrophobicContact CG2-CE1 3.56Å; V311-Y404 HydrophobicContact CG2-CE2 4.19Å; V311-Y404 WeakPolarHBondContact CG2-OH 3.38Å; T312-Y404 VanDerWaalsContact O-CE1 3.25Å; T312-Y404 WeakPolarHBondContact O-CE1 3.44Å; T312-Y404 PolarHBondContact O-OH 2.91Å; I331-Y404 HydrophobicContact CG2-CD2 4.28Å; C332-Y404 CarbonylContact O-C 3.53Å; C332-Y404 VanDerWaalsContact O-CA 3.24Å; C332-Y404 WeakPolarHBondContact O-CA 3.24Å; I333-Y404 VanDerWaalsContact CG1-CB 3.43Å; L390-Y404 HydrophobicContact CD1-CD2 4.18Å; L390-Y404 HydrophobicContact CD1-CE2 4.16Å; Y404-F422 AromaticContact CE2-CD2 3.75Å; Y404-F422 HydrophobicContact CE2-CD2 3.75Å; Y404-F422 AromaticContact CE2-CE2 3.7Å; Y404-F422 HydrophobicContact CE2-CE2 3.7Å; Y404-Y423 VanDerWaalsContact O-CA 3.32Å; Y404-Y423 WeakPolarHBondContact O-CA 3.39Å; Y404-Y423 WeakPolarHBondContact O-CB 3.44Å; Y404-G424 VanDerWaalsContact CD1-O 3.24Å; Y404-G424 WeakPolarHBondContact CD1-O 3.48Å; Y404-G424 VanDerWaalsContact CE1-N 3.28Å; Y404-G424 PolarHBondContact N-O 2.86Å; Y404-G424 PolarHBondContact O-N 3.33Å
405L91.1Very high80.9Confident0 Ų043.8 Ų43.80%024%0.239CC..EExtended strand (participates in β ladder)trans-122.7141169-59.5179000111.6I103 L132 I135 I331 C332 T407 I420I103-L405 HydrophobicContact CD1-CD1 3.55Å; I103-L405 HydrophobicContact CD1-CD2 3.84Å; I103-L405 HydrophobicContact CD1-CG 3.35Å; I103-L405 HydrophobicContact CG1-CD1 3.26Å; I103-L405 HydrophobicContact CG1-CD2 4.47Å; I103-L405 HydrophobicContact CG1-CG 3.52Å; L132-L405 HydrophobicContact CD2-CD1 3.67Å; I135-L405 HydrophobicContact CB-CD2 4.42Å; I135-L405 HydrophobicContact CD1-CD2 3.49Å; I135-L405 VanDerWaalsContact CD1-CD2 3.49Å; I135-L405 HydrophobicContact CG1-CD2 4.42Å; I135-L405 HydrophobicContact CG2-CD2 3.69Å; I331-L405 CarbonylContact C-O 3.55Å; I331-L405 VanDerWaalsContact CA-O 3.25Å; I331-L405 WeakPolarHBondContact CA-O 3.43Å; C332-L405 HydrophobicContact CB-CB 4.27Å; C332-L405 PolarHBondContact N-O 2.84Å; C332-L405 PolarHBondContact O-N 3.15Å; L405-T407 HydrophobicContact CB-CG2 3.88Å; L405-T407 HydrophobicContact CD1-CG2 4.37Å; L405-I420 HydrophobicContact CD1-CD1 4.49Å; L405-I420 HydrophobicContact CD1-CG2 4.43Å; L405-I420 HydrophobicContact CD2-CG2 3.87Å
406G93Very high79.7Confident0 Ų047.7 Ų47.70%027%0.265CS..EExtended strand (participates in β ladder)trans-98.2121.9158.300000110.3A421 F422G406-A421 WeakPolarHBondContact O-CB 3.45Å; G406-A421 PolarHBondContact O-N 2.82Å; G406-F422 PolarHBondContact N-O 3.29Å; G406-F422 PolarHBondContact O-N 3.14Å
407T89.8Confident79.1Confident0 Ų049.1 Ų49.10%027%0.274CS..EExtended strand (participates in β ladder)trans-130.3158.1-175.767.20000112.1Q330 L405 L409 R419 I420Q330-T407 WeakPolarHBondContact CB-OG1 3.32Å; Q330-T407 PolarHBondContact N-O 3.44Å; Q330-T407 PolarHBondContact O-N 3.17Å; Q330-T407 PolarHBondContact O-OG1 3.28Å; Q330-T407 VanDerWaalsContact O-OG1 3.05Å; L405-T407 HydrophobicContact CB-CG2 3.88Å; L405-T407 HydrophobicContact CD1-CG2 4.37Å; T407-L409 WeakPolarHBondContact OG1-CG 3.37Å; T407-R419 VanDerWaalsContact CA-O 3.32Å; T407-R419 WeakPolarHBondContact CA-O 3.39Å; T407-I420 HydrophobicContact CG2-CG1 4.41Å
408K86.7Confident78.8Confident57 Ų5748.4 Ų48.425%0.24827%0.273CS..  trans-115.281.9166-82.1-68.4-164.3177.90108.8Y319 Q328 F329 E410 I411 R419Y319-K408 VanDerWaalsContact OH-CG 3.23Å; Y319-K408 WeakPolarHBondContact OH-CG 3.24Å; Q328-K408 WeakPolarHBondContact O-CE 3.46Å; Q328-K408 PolarHBondContact O-NZ 3.13Å; F329-K408 HydrophobicContact CD1-CD 4.39Å; F329-K408 HydrophobicContact CD1-CG 3.98Å; F329-K408 HydrophobicContact CE1-CG 3.94Å; K408-E410 PolarHBondContact O-N 2.79Å; K408-I411 HydrophobicContact CB-CD1 3.49Å; K408-I411 VanDerWaalsContact CB-CD1 3.49Å; K408-I411 HydrophobicContact CB-CG1 4.01Å; K408-I411 HydrophobicContact CG-CD1 4.35Å; K408-I411 PolarHBondContact O-N 3.03Å; K408-R419 PolarHBondContact N-O 2.93Å
409L74.1Confident78.6Confident60 Ų6048.8 Ų48.831%0.31427%0.274SS..THydrogen-bonded Turntrans-68.7-19.3-177.9-60.1177.8000113.6F99 Q330 T337 T407 I411F99-L409 HydrophobicContact CD2-CD2 3.85Å; F99-L409 HydrophobicContact CE2-CD2 4.34Å; Q330-L409 HydrophobicContact CB-CD1 4.14Å; Q330-L409 HydrophobicContact CB-CG 4.24Å; Q330-L409 HydrophobicContact CG-CB 4.49Å; Q330-L409 HydrophobicContact CG-CD1 4.29Å; Q330-L409 HydrophobicContact CG-CG 4.35Å; T337-L409 HydrophobicContact CG2-CD1 4.17Å; T407-L409 WeakPolarHBondContact OG1-CG 3.37Å; L409-I411 PolarHBondContact O-N 3Å
410E72.3Confident78.7Confident149 Ų14947 Ų4770%0.69626%0.263SS*.THydrogen-bonded Turntrans-69.8-15.6177.8-66.9167.7-159.300113.2K408 E412K408-E410 PolarHBondContact O-N 2.79Å; E410-E412 PolarHBondContact O-N 2.81Å
411I70.2Confident78.9Confident31 Ų3141.6 Ų41.616%0.15923%0.234CC..SBendtrans-74.2123175.4-60167.1000108F321 K408 L409 R419F321-I411 HydrophobicContact CD2-CD1 3.74Å; F321-I411 HydrophobicContact CE2-CD1 3.5Å; F321-I411 VanDerWaalsContact CE2-CD1 3.5Å; F321-I411 HydrophobicContact CG-CD1 4.48Å; F321-I411 HydrophobicContact CZ-CD1 4.05Å; F321-I411 HydrophobicContact CZ-CG2 4.5Å; K408-I411 HydrophobicContact CB-CD1 3.49Å; K408-I411 VanDerWaalsContact CB-CD1 3.49Å; K408-I411 HydrophobicContact CB-CG1 4.01Å; K408-I411 HydrophobicContact CG-CD1 4.35Å; K408-I411 PolarHBondContact O-N 3.03Å; L409-I411 PolarHBondContact O-N 3Å; I411-R419 HydrophobicContact CB-CG 4.09Å; I411-R419 HydrophobicContact CG2-CG 4.35Å; I411-R419 WeakPolarHBondContact O-CD 3.12Å
412E65Low79.3Confident130 Ų13040.3 Ų40.361%0.60722%0.221SC*.  trans-55.7139.1-179-79.4-164.8161.800112.6E410 S414 N415E410-E412 PolarHBondContact O-N 2.81Å; E412-S414 PolarHBondContact O-N 3.34Å; E412-S414 PolarHBondContact OE2-OG 3.11Å; E412-N415 PolarHBondContact O-N 3.08Å
413P57.8Low79.7Confident70 Ų7041.1 Ų41.146%0.45522%0.224SC..G310 helixtrans-61.1-24.3179.4-19.929.9000114.4N415P413-N415 PolarHBondContact O-N 3.12Å
414S58.6Low79.9Confident76 Ų7640.7 Ų40.753%0.53122%0.222SC..G310 helixtrans-60.6-28.2-175.352.20000113.3E412 S416E412-S414 PolarHBondContact O-N 3.34Å; E412-S414 PolarHBondContact OE2-OG 3.11Å; S414-S416 VanDerWaalsContact C-N 3.27Å; S414-S416 PolarHBondContact O-N 3Å; S414-S416 VanDerWaalsContact O-N 3.11Å
415N60.5Low79.8Confident105 Ų10544.3 Ų44.356%0.56124%0.236SC*.G310 helixtrans-78.74.9-166.9-78.6-28.1000116.1E412 P413 V417E412-N415 PolarHBondContact O-N 3.08Å; P413-N415 PolarHBondContact O-N 3.12Å; N415-V417 HydrophobicContact CB-CG2 4.23Å; N415-V417 VanDerWaalsContact O-CG2 3.22Å; N415-V417 WeakPolarHBondContact O-CG2 3.45Å; N415-V417 PolarHBondContact O-N 2.63Å
416S69.1Low79.8Confident90 Ų9044.3 Ų44.363%0.62924%0.236SC*.  trans5615.8180-50.60000115.1S414S414-S416 VanDerWaalsContact C-N 3.27Å; S414-S416 PolarHBondContact O-N 3Å; S414-S416 VanDerWaalsContact O-N 3.11Å
417V80Confident79.7Confident32 Ų3245.3 Ų45.319%0.19424%0.241CC..  trans-100.1138-179.9-165.90000109.8K320 F321 N415 R419K320-V417 HydrophobicContact CB-CG1 4.24Å; K320-V417 HydrophobicContact CD-CG1 4.2Å; K320-V417 HydrophobicContact CG-CG1 4.24Å; F321-V417 HydrophobicContact CD2-CG1 4.4Å; F321-V417 HydrophobicContact CE2-CB 4.19Å; F321-V417 HydrophobicContact CE2-CG1 3.54Å; F321-V417 HydrophobicContact CZ-CB 4.47Å; F321-V417 HydrophobicContact CZ-CG1 4.08Å; N415-V417 HydrophobicContact CB-CG2 4.23Å; N415-V417 VanDerWaalsContact O-CG2 3.22Å; N415-V417 WeakPolarHBondContact O-CG2 3.45Å; N415-V417 PolarHBondContact O-N 2.63Å; V417-R419 PolarHBondContact O-N 2.84Å
418C82.3Confident79.8Confident13 Ų1347.2 Ų47.29%0.08825%0.25CC..  trans-62.4132.9173.9-172.90000110.3Y319Y319-C418 VanDerWaalsContact CD2-O 3.23Å; Y319-C418 WeakPolarHBondContact CD2-O 3.04Å
419R83.5Confident80.1Confident15 Ų1545.9 Ų45.96%0.05725%0.245CC..  trans-100.4-7.9-178.9-72.6167.4-68.3177-8.3114.2S96 D128 T407 K408 I411 V417S96-R419 VanDerWaalsContact CB-NH1 3.28Å; S96-R419 PolarHBondContact OG-NH1 3.49Å; S96-R419 PolarHBondContact OG-NH2 3.48Å; D128-R419 IonicContact OD2-NH2 2.79Å; D128-R419 PolarHBondContact OD2-NH2 2.89Å; D128-R419 VanDerWaalsContact OD2-NH2 3.09Å; T407-R419 VanDerWaalsContact CA-O 3.32Å; T407-R419 WeakPolarHBondContact CA-O 3.39Å; K408-R419 PolarHBondContact N-O 2.93Å; I411-R419 HydrophobicContact CB-CG 4.09Å; I411-R419 HydrophobicContact CG2-CG 4.35Å; I411-R419 WeakPolarHBondContact O-CD 3.12Å; V417-R419 PolarHBondContact O-N 2.84Å
420I87.3Confident81Confident0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-87.1113.6177.6-50.5174.9000106.9F99 V131 L132 I135 V316 Y319 L405 T407F99-I420 HydrophobicContact CE2-CG1 4.37Å; F99-I420 HydrophobicContact CZ-CD1 4.45Å; F99-I420 HydrophobicContact CZ-CG1 4.47Å; V131-I420 HydrophobicContact CB-CD1 4.47Å; V131-I420 HydrophobicContact CG1-CB 4.43Å; V131-I420 HydrophobicContact CG1-CD1 3.92Å; L132-I420 HydrophobicContact CD2-CD1 3.77Å; L132-I420 HydrophobicContact CG-CD1 3.87Å; I135-I420 HydrophobicContact CD1-CG2 3.96Å; V316-I420 VanDerWaalsContact CB-O 3.25Å; V316-I420 WeakPolarHBondContact CB-O 3.27Å; V316-I420 HydrophobicContact CG2-CB 4.25Å; V316-I420 HydrophobicContact CG2-CG2 3.78Å; V316-I420 WeakPolarHBondContact CG2-O 3.01Å; Y319-I420 WeakPolarHBondContact CB-O 3.35Å; Y319-I420 WeakPolarHBondContact CD2-O 3.3Å; L405-I420 HydrophobicContact CD1-CD1 4.49Å; L405-I420 HydrophobicContact CD1-CG2 4.43Å; L405-I420 HydrophobicContact CD2-CG2 3.87Å; T407-I420 HydrophobicContact CG2-CG1 4.41Å
421A91.8Very high82Confident0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-87.1-47.3-174.600000112V316 Y319 I323 F329 G406V316-A421 PolarHBondContact N-O 3.09Å; Y319-A421 HydrophobicContact CD1-CB 3.84Å; Y319-A421 HydrophobicContact CD2-CB 3.92Å; Y319-A421 HydrophobicContact CE1-CB 3.67Å; Y319-A421 HydrophobicContact CE2-CB 3.79Å; Y319-A421 HydrophobicContact CG-CB 3.94Å; I323-A421 HydrophobicContact CD1-CB 4.02Å; I323-A421 WeakPolarHBondContact CD1-O 3.34Å; I323-A421 HydrophobicContact CG1-CB 4.23Å; F329-A421 HydrophobicContact CD1-CB 4.11Å; F329-A421 HydrophobicContact CE1-CB 3.71Å; G406-A421 WeakPolarHBondContact O-CB 3.45Å; G406-A421 PolarHBondContact O-N 2.82Å
422F93.1Very high83Confident0 Ų043.4 Ų43.40%023%0.234CC..EExtended strand (participates in β ladder)trans-155.3165.8-177.855.7-88.3000111L313 R314 I323 F329 I331 F344 Y404 G406L313-F422 HydrophobicContact CD1-CB 4.24Å; L313-F422 HydrophobicContact CD1-CD2 3.79Å; L313-F422 HydrophobicContact CD1-CE2 4.28Å; L313-F422 HydrophobicContact CD1-CG 3.98Å; L313-F422 HydrophobicContact CG-CB 4.15Å; L313-F422 HydrophobicContact CG-CD2 4.3Å; L313-F422 HydrophobicContact CG-CG 4.4Å; R314-F422 CarbonylContact O-C 3.6Å; R314-F422 WeakPolarHBondContact O-CA 3.42Å; R314-F422 VanDerWaalsContact O-CB 3.25Å; R314-F422 WeakPolarHBondContact O-CB 3.12Å; I323-F422 HydrophobicContact CD1-CD1 4.47Å; I323-F422 HydrophobicContact CG2-CD1 3.9Å; I323-F422 HydrophobicContact CG2-CE1 4.18Å; F329-F422 HydrophobicContact CB-CE1 4.36Å; F329-F422 HydrophobicContact CB-CZ 4.24Å; F329-F422 AromaticContact CD1-CE1 3.84Å; F329-F422 HydrophobicContact CD1-CE1 3.84Å; F329-F422 AromaticContact CD2-CE1 3.78Å; F329-F422 HydrophobicContact CD2-CE1 3.78Å; F329-F422 HydrophobicContact CD2-CZ 4.08Å; F329-F422 HydrophobicContact CE1-CE1 4.03Å; F329-F422 AromaticContact CE2-CE1 3.96Å; F329-F422 HydrophobicContact CE2-CE1 3.96Å; F329-F422 AromaticContact CG-CE1 3.72Å; F329-F422 HydrophobicContact CG-CE1 3.72Å; F329-F422 HydrophobicContact CG-CZ 4.03Å; F329-F422 HydrophobicContact CZ-CE1 4.09Å; I331-F422 HydrophobicContact CD1-CE2 4.3Å; I331-F422 HydrophobicContact CD1-CZ 4.19Å; F344-F422 HydrophobicContact CE1-CE1 4.33Å; F344-F422 HydrophobicContact CE1-CE2 4.38Å; F344-F422 HydrophobicContact CE1-CZ 4.15Å; F344-F422 HydrophobicContact CZ-CE1 4.01Å; F344-F422 HydrophobicContact CZ-CZ 4.13Å; Y404-F422 AromaticContact CE2-CD2 3.75Å; Y404-F422 HydrophobicContact CE2-CD2 3.75Å; Y404-F422 AromaticContact CE2-CE2 3.7Å; Y404-F422 HydrophobicContact CE2-CE2 3.7Å; G406-F422 PolarHBondContact N-O 3.29Å; G406-F422 PolarHBondContact O-N 3.14Å
423Y91.2Very high84.1Confident23 Ų2341 Ų419%0.0923%0.229CC..EExtended strand (participates in β ladder)trans-150.8168.918066.3-81.4000110.9I135 R314 V316 Y404I135-Y423 HydrophobicContact CB-CD2 4.04Å; I135-Y423 HydrophobicContact CB-CE2 4.36Å; I135-Y423 HydrophobicContact CB-CG 4.23Å; I135-Y423 HydrophobicContact CD1-CD1 3.81Å; I135-Y423 HydrophobicContact CD1-CD2 4.5Å; I135-Y423 HydrophobicContact CD1-CE1 4.4Å; I135-Y423 HydrophobicContact CD1-CG 3.86Å; I135-Y423 HydrophobicContact CG1-CD1 3.65Å; I135-Y423 HydrophobicContact CG1-CD2 3.69Å; I135-Y423 HydrophobicContact CG1-CE1 3.9Å; I135-Y423 HydrophobicContact CG1-CE2 3.9Å; I135-Y423 HydrophobicContact CG1-CG 3.52Å; I135-Y423 HydrophobicContact CG2-CD2 3.62Å; I135-Y423 HydrophobicContact CG2-CE2 4.37Å; I135-Y423 HydrophobicContact CG2-CG 3.83Å; R314-Y423 HydrophobicContact CB-CD1 4.05Å; R314-Y423 HydrophobicContact CB-CD2 4.36Å; R314-Y423 HydrophobicContact CB-CE1 3.67Å; R314-Y423 HydrophobicContact CB-CE2 4.04Å; R314-Y423 HydrophobicContact CB-CG 4.39Å; R314-Y423 PolarHBondContact N-O 2.84Å; R314-Y423 WeakPolarHBondContact O-CD1 3.02Å; R314-Y423 PolarHBondContact O-N 3.25Å; V316-Y423 HydrophobicContact CG2-CD1 3.8Å; V316-Y423 HydrophobicContact CG2-CE1 4.16Å; Y404-Y423 VanDerWaalsContact O-CA 3.32Å; Y404-Y423 WeakPolarHBondContact O-CA 3.39Å; Y404-Y423 WeakPolarHBondContact O-CB 3.44Å
424G90.3Very high85.5Confident4 Ų445.6 Ų45.64%0.04124%0.242CC..EExtended strand (participates in β ladder)trans170.4-151.7173.900000111.4N403 Y404N403-G424 WeakPolarHBondContact CA-O 3.33Å; Y404-G424 VanDerWaalsContact CD1-O 3.24Å; Y404-G424 WeakPolarHBondContact CD1-O 3.48Å; Y404-G424 VanDerWaalsContact CE1-N 3.28Å; Y404-G424 PolarHBondContact N-O 2.86Å; Y404-G424 PolarHBondContact O-N 3.33Å
425R89.1Confident86.7Confident75 Ų7542.2 Ų42.228%0.28322%0.218SC..EExtended strand (participates in β ladder)trans-129.5149.7-179.9-68.8-176.2178.4179.7-0.9112V311 T312 C402 N403V311-R425 CarbonylContact C-O 3.53Å; V311-R425 VanDerWaalsContact CA-O 3.24Å; V311-R425 WeakPolarHBondContact CA-O 3.27Å; V311-R425 WeakPolarHBondContact CB-O 2.98Å; T312-R425 PolarHBondContact N-O 3.42Å; T312-R425 PolarHBondContact OG1-N 3.45Å; T312-R425 PolarHBondContact OG1-O 2.78Å; C402-R425 CarbonylContact O-C 3.6Å; C402-R425 VanDerWaalsContact O-CA 3.24Å; C402-R425 WeakPolarHBondContact O-CA 3.25Å; N403-R425 VanDerWaalsContact OD1-CG 3.31Å; N403-R425 WeakPolarHBondContact OD1-CG 3.31Å; N403-R425 PolarHBondContact OD1-NE 2.98Å; N403-R425 VanDerWaalsContact OD1-NE 3.08Å
426T91.1Very high87.4Confident0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-71133.5173570000111.4A309 V311 T399 G401 C402 L429A309-T426 HydrophobicContact CB-CG2 4.32Å; V311-T426 HydrophobicContact CG1-CG2 4.1Å; T399-T426 PolarHBondContact O-OG1 2.06Å; G401-T426 WeakPolarHBondContact CA-O 3.33Å; G401-T426 PolarHBondContact N-O 2.94Å; G401-T426 PolarHBondContact N-OG1 3.33Å; C402-T426 PolarHBondContact N-OG1 2.89Å; C402-T426 VanDerWaalsContact N-OG1 3.13Å; C402-T426 PolarHBondContact O-N 3.42Å; C402-T426 WeakPolarHBondContact SG-CG2 3.14Å; C402-T426 PolarHBondContact SG-OG1 3.31Å; T426-L429 HydrophobicContact CG2-CD2 4.19Å
427L90Very high87.7Confident21 Ų2141.5 Ų41.511%0.1121%0.214CC..EExtended strand (participates in β ladder)trans-118.5-23.6-178.5-59.9177.9000112.7I310 T312 L359 F361 F387 L400I310-L427 PolarHBondContact O-N 3.02Å; T312-L427 HydrophobicContact CG2-CD1 3.55Å; T312-L427 HydrophobicContact CG2-CD2 3.95Å; T312-L427 HydrophobicContact CG2-CG 3.98Å; L359-L427 HydrophobicContact CD2-CD2 3.72Å; F361-L427 HydrophobicContact CB-CB 3.98Å; F361-L427 HydrophobicContact CB-CD1 3.67Å; F361-L427 HydrophobicContact CB-CG 4.37Å; F361-L427 HydrophobicContact CG-CD1 4.42Å; F387-L427 HydrophobicContact CD1-CD1 3.71Å; F387-L427 HydrophobicContact CE1-CD1 3.67Å; L400-L427 WeakPolarHBondContact CD1-O 3.33Å
428H91.8Very high87.5Confident40 Ų4042.4 Ų42.419%0.18522%0.219CC..EExtended strand (participates in β ladder)trans-155.3143.2174.1-174.359.7000109A309 I310 F430 W442A309-H428 CarbonylContact C-O 3.58Å; A309-H428 WeakPolarHBondContact CA-O 3.46Å; A309-H428 WeakPolarHBondContact CB-O 3.27Å; I310-H428 HydrophobicContact CB-CB 4.03Å; I310-H428 HydrophobicContact CG1-CB 4.37Å; I310-H428 PolarHBondContact N-O 3.14Å; I310-H428 PolarHBondContact O-N 3.16Å; I310-H428 VanDerWaalsContact O-N 3.14Å; H428-F430 AromaticContact CD2-CE1 3.82Å; H428-F430 AromaticContact CD2-CZ 3.76Å; H428-F430 AromaticContact NE2-CE1 3.9Å; H428-W442 AromaticContact CD2-CH2 3.96Å; H428-W442 AromaticContact CD2-CZ2 3.82Å; H428-W442 AromaticContact NE2-CZ2 3.78Å
429L92.8Very high87.3Confident29 Ų2946.7 Ų46.715%0.15224%0.237CC..EExtended strand (participates in β ladder)trans-117.5140.9179.1-62.2179.7000109.7A309 C398 T426A309-L429 HydrophobicContact CB-CD2 3.85Å; C398-L429 VanDerWaalsContact O-CD1 3.27Å; C398-L429 WeakPolarHBondContact O-CD1 3.31Å; T426-L429 HydrophobicContact CG2-CD2 4.19Å
430F94Very high87.4Confident18 Ų1846.2 Ų46.28%0.07924%0.235CC..EExtended strand (participates in β ladder)trans-104.1109.6177.1-64.8-82.2000110S306 Y307 G308 I310 H428 F435 I440 W442S306-F430 CarbonylContact C-O 3.48Å; S306-F430 WeakPolarHBondContact CA-O 3.41Å; Y307-F430 PolarHBondContact N-O 3.3Å; G308-F430 PolarHBondContact O-N 3.27Å; I310-F430 HydrophobicContact CD1-CE2 4.46Å; I310-F430 HydrophobicContact CD1-CZ 4.14Å; I310-F430 HydrophobicContact CG1-CE2 3.8Å; I310-F430 HydrophobicContact CG1-CZ 3.99Å; H428-F430 AromaticContact CD2-CE1 3.82Å; H428-F430 AromaticContact CD2-CZ 3.76Å; H428-F430 AromaticContact NE2-CE1 3.9Å; F430-F435 HydrophobicContact CB-CB 4.26Å; F430-F435 HydrophobicContact CB-CD1 3.99Å; F430-F435 HydrophobicContact CB-CD2 3.64Å; F430-F435 HydrophobicContact CB-CE1 4.24Å; F430-F435 HydrophobicContact CB-CE2 3.92Å; F430-F435 HydrophobicContact CB-CG 3.67Å; F430-F435 HydrophobicContact CB-CZ 4.21Å; F430-F435 AromaticContact CD1-CD2 3.48Å; F430-F435 HydrophobicContact CD1-CD2 3.48Å; F430-F435 VanDerWaalsContact CD1-CD2 3.48Å; F430-F435 AromaticContact CD1-CE2 3.32Å; F430-F435 HydrophobicContact CD1-CE2 3.32Å; F430-F435 HydrophobicContact CD1-CG 4.39Å; F430-F435 HydrophobicContact CD1-CZ 4.12Å; F430-F435 HydrophobicContact CD2-CD1 4.46Å; F430-F435 HydrophobicContact CD2-CD2 4.06Å; F430-F435 AromaticContact CD2-CE1 3.86Å; F430-F435 HydrophobicContact CD2-CE1 3.86Å; F430-F435 AromaticContact CD2-CE2 3.4Å; F430-F435 HydrophobicContact CD2-CE2 3.4Å; F430-F435 AromaticContact CD2-CZ 3.28Å; F430-F435 HydrophobicContact CD2-CZ 3.28Å; F430-F435 HydrophobicContact CE1-CD2 4.08Å; F430-F435 AromaticContact CE1-CE2 3.51Å; F430-F435 HydrophobicContact CE1-CE2 3.51Å; F430-F435 HydrophobicContact CE1-CZ 4.3Å; F430-F435 HydrophobicContact CE2-CE1 4.44Å; F430-F435 AromaticContact CE2-CE2 3.59Å; F430-F435 HydrophobicContact CE2-CE2 3.59Å; F430-F435 AromaticContact CE2-CZ 3.49Å; F430-F435 HydrophobicContact CE2-CZ 3.49Å; F430-F435 VanDerWaalsContact CE2-CZ 3.49Å; F430-F435 HydrophobicContact CG-CD1 4.3Å; F430-F435 AromaticContact CG-CD2 3.46Å; F430-F435 HydrophobicContact CG-CD2 3.46Å; F430-F435 VanDerWaalsContact CG-CD2 3.46Å; F430-F435 HydrophobicContact CG-CE1 4.13Å; F430-F435 AromaticContact CG-CE2 3.25Å; F430-F435 HydrophobicContact CG-CE2 3.25Å; F430-F435 AromaticContact CG-CG 3.98Å; F430-F435 HydrophobicContact CG-CG 3.98Å; F430-F435 AromaticContact CG-CZ 3.62Å; F430-F435 HydrophobicContact CG-CZ 3.62Å; F430-F435 AromaticContact CZ-CE2 3.64Å; F430-F435 HydrophobicContact CZ-CE2 3.64Å; F430-F435 HydrophobicContact CZ-CZ 4.01Å; F430-I440 HydrophobicContact CE1-CD1 4.07Å; F430-I440 HydrophobicContact CZ-CD1 3.84Å; F430-W442 AromaticContact CE1-CZ2 3.9Å; F430-W442 HydrophobicContact CE1-CZ2 3.9Å; F430-W442 HydrophobicContact CZ-CZ2 4.06Å
431E92.8Very high87.2Confident97 Ų9751.4 Ų51.445%0.45326%0.263SS..  trans-86.7-14.7-175.6-61173.9-176.800113.5K304 M305 Y307 P433K304-E431 HydrophobicContact CB-CG 4.27Å; K304-E431 HydrophobicContact CD-CG 4.3Å; K304-E431 WeakPolarHBondContact CD-OE1 3.3Å; K304-E431 WeakPolarHBondContact CD-OE2 3.34Å; K304-E431 IonicContact NZ-OE1 3.32Å; K304-E431 IonicContact NZ-OE2 3Å; K304-E431 PolarHBondContact NZ-OE2 2.85Å; M305-E431 WeakPolarHBondContact O-CA 3.39Å; Y307-E431 WeakPolarHBondContact CD2-O 3.17Å; Y307-E431 WeakPolarHBondContact CE2-O 3.23Å; E431-P433 WeakPolarHBondContact O-CD 3.15Å
432D91.1Very high86.9Confident73 Ų7355.8 Ų55.839%0.3928%0.28SS..  trans-73.8120.9-178.8176.612.3000111.7Y307 K434 F435 T438Y307-D432 WeakPolarHBondContact CD2-O 3.34Å; D432-K434 PolarHBondContact O-N 2.78Å; D432-K434 VanDerWaalsContact O-N 3.17Å; D432-K434 WeakPolarHBondContact OD1-CB 3.25Å; D432-K434 PolarHBondContact OD1-N 2.84Å; D432-F435 WeakPolarHBondContact O-CB 3.38Å; D432-F435 PolarHBondContact O-N 3.44Å; D432-T438 PolarHBondContact OD2-OG1 2.54Å
433P88.4Confident86.6Confident80 Ų8055.9 Ų55.952%0.51928%0.28SS..G310 helixtrans-57.5-28.6174.6-21.330.9000114Y307 E431 F435Y307-P433 HydrophobicContact CD1-CB 4.48Å; Y307-P433 HydrophobicContact CD2-CB 4.49Å; Y307-P433 HydrophobicContact CD2-CG 4.49Å; Y307-P433 HydrophobicContact CE1-CB 3.92Å; Y307-P433 HydrophobicContact CE1-CG 4.45Å; Y307-P433 HydrophobicContact CE2-CB 3.95Å; Y307-P433 HydrophobicContact CE2-CG 3.69Å; E431-P433 WeakPolarHBondContact O-CD 3.15Å; P433-F435 PolarHBondContact O-N 3.14Å
434K87Confident86.4Confident166 Ų16658.9 Ų58.972%0.72229%0.293SS*.G310 helixtrans-78.9-6.7178.8-61.5179.4-179176.60112.9D432 R436 G437 T438D432-K434 PolarHBondContact O-N 2.78Å; D432-K434 VanDerWaalsContact O-N 3.17Å; D432-K434 WeakPolarHBondContact OD1-CB 3.25Å; D432-K434 PolarHBondContact OD1-N 2.84Å; K434-R436 PolarHBondContact O-N 2.93Å; K434-G437 PolarHBondContact O-N 3.4Å; K434-T438 PolarHBondContact O-N 2.91Å; K434-T438 VanDerWaalsContact O-N 3.15Å; K434-T438 PolarHBondContact O-OG1 3.06Å
435F84.5Confident86.4Confident5 Ų558.7 Ų58.72%0.02229%0.292CS..G310 helixtrans-43.3-34.6-175.6169.7-112.4000115M389 R391 F430 D432 P433 G437 T438 I440M389-F435 HydrophobicContact CG-CZ 4.31Å; M389-F435 HydrophobicContact SD-CZ 4.17Å; R391-F435 HydrophobicContact CB-CE1 4.36Å; R391-F435 HydrophobicContact CG-CE1 3.69Å; R391-F435 HydrophobicContact CG-CZ 4.11Å; F430-F435 HydrophobicContact CB-CB 4.26Å; F430-F435 HydrophobicContact CB-CD1 3.99Å; F430-F435 HydrophobicContact CB-CD2 3.64Å; F430-F435 HydrophobicContact CB-CE1 4.24Å; F430-F435 HydrophobicContact CB-CE2 3.92Å; F430-F435 HydrophobicContact CB-CG 3.67Å; F430-F435 HydrophobicContact CB-CZ 4.21Å; F430-F435 AromaticContact CD1-CD2 3.48Å; F430-F435 HydrophobicContact CD1-CD2 3.48Å; F430-F435 VanDerWaalsContact CD1-CD2 3.48Å; F430-F435 AromaticContact CD1-CE2 3.32Å; F430-F435 HydrophobicContact CD1-CE2 3.32Å; F430-F435 HydrophobicContact CD1-CG 4.39Å; F430-F435 HydrophobicContact CD1-CZ 4.12Å; F430-F435 HydrophobicContact CD2-CD1 4.46Å; F430-F435 HydrophobicContact CD2-CD2 4.06Å; F430-F435 AromaticContact CD2-CE1 3.86Å; F430-F435 HydrophobicContact CD2-CE1 3.86Å; F430-F435 AromaticContact CD2-CE2 3.4Å; F430-F435 HydrophobicContact CD2-CE2 3.4Å; F430-F435 AromaticContact CD2-CZ 3.28Å; F430-F435 HydrophobicContact CD2-CZ 3.28Å; F430-F435 HydrophobicContact CE1-CD2 4.08Å; F430-F435 AromaticContact CE1-CE2 3.51Å; F430-F435 HydrophobicContact CE1-CE2 3.51Å; F430-F435 HydrophobicContact CE1-CZ 4.3Å; F430-F435 HydrophobicContact CE2-CE1 4.44Å; F430-F435 AromaticContact CE2-CE2 3.59Å; F430-F435 HydrophobicContact CE2-CE2 3.59Å; F430-F435 AromaticContact CE2-CZ 3.49Å; F430-F435 HydrophobicContact CE2-CZ 3.49Å; F430-F435 VanDerWaalsContact CE2-CZ 3.49Å; F430-F435 HydrophobicContact CG-CD1 4.3Å; F430-F435 AromaticContact CG-CD2 3.46Å; F430-F435 HydrophobicContact CG-CD2 3.46Å; F430-F435 VanDerWaalsContact CG-CD2 3.46Å; F430-F435 HydrophobicContact CG-CE1 4.13Å; F430-F435 AromaticContact CG-CE2 3.25Å; F430-F435 HydrophobicContact CG-CE2 3.25Å; F430-F435 AromaticContact CG-CG 3.98Å; F430-F435 HydrophobicContact CG-CG 3.98Å; F430-F435 AromaticContact CG-CZ 3.62Å; F430-F435 HydrophobicContact CG-CZ 3.62Å; F430-F435 AromaticContact CZ-CE2 3.64Å; F430-F435 HydrophobicContact CZ-CE2 3.64Å; F430-F435 HydrophobicContact CZ-CZ 4.01Å; D432-F435 WeakPolarHBondContact O-CB 3.38Å; D432-F435 PolarHBondContact O-N 3.44Å; P433-F435 PolarHBondContact O-N 3.14Å; F435-G437 VanDerWaalsContact C-N 3.26Å; F435-G437 PolarHBondContact O-N 2.98Å; F435-T438 VanDerWaalsContact CA-OG1 3.3Å; F435-T438 WeakPolarHBondContact CA-OG1 3.3Å; F435-T438 PolarHBondContact N-OG1 2.85Å; F435-T438 PolarHBondContact O-N 3.42Å; F435-T438 VanDerWaalsContact O-N 3.14Å; F435-I440 HydrophobicContact CE2-CD1 3.64Å; F435-I440 HydrophobicContact CE2-CG1 4.29Å; F435-I440 HydrophobicContact CZ-CD1 4.24Å
436R75.1Confident86.5Confident115 Ų11556 Ų5643%0.43428%0.282SS..G310 helixtrans-58.6-37179.4-65.1-171.3-174.3145.328.8113.8F392 T393 K434F392-R436 PolarHBondContact O-NE 3.35Å; F392-R436 PolarHBondContact O-NH2 3.3Å; T393-R436 PolarHBondContact O-NH1 3.37Å; T393-R436 PolarHBondContact O-NH2 3.07Å; K434-R436 PolarHBondContact O-N 2.93Å
437G75.5Confident86.5Confident65 Ų6558 Ų5867%0.6729%0.29SS*.THydrogen-bonded Turntrans-95.8-16.4174.900000112.9K434 F435K434-G437 PolarHBondContact O-N 3.4Å; F435-G437 VanDerWaalsContact C-N 3.26Å; F435-G437 PolarHBondContact O-N 2.98Å
438T74.7Confident86.3Confident51 Ų5161.4 Ų61.431%0.31331%0.314SS..  trans-69.3135.8-176.9-44.90000111.3D432 K434 F435D432-T438 PolarHBondContact OD2-OG1 2.54Å; K434-T438 PolarHBondContact O-N 2.91Å; K434-T438 VanDerWaalsContact O-N 3.15Å; K434-T438 PolarHBondContact O-OG1 3.06Å; F435-T438 VanDerWaalsContact CA-OG1 3.3Å; F435-T438 WeakPolarHBondContact CA-OG1 3.3Å; F435-T438 PolarHBondContact N-OG1 2.85Å; F435-T438 PolarHBondContact O-N 3.42Å; F435-T438 VanDerWaalsContact O-N 3.14Å
439K78.5Confident86.2Confident103 Ų10365.3 Ų65.345%0.44833%0.327SS..  trans-88.8146.2175.8-66.6164-164.5161.40108.9F543 D545K439-F543 WeakPolarHBondContact CB-O 3.45Å; K439-D545 HydrophobicContact CD-CB 3.66Å; K439-D545 VanDerWaalsContact CD-OD1 3.28Å; K439-D545 WeakPolarHBondContact CD-OD1 3.48Å; K439-D545 WeakPolarHBondContact CD-OD2 3.34Å; K439-D545 VanDerWaalsContact CE-CG 3.45Å; K439-D545 WeakPolarHBondContact CE-OD1 3.43Å; K439-D545 WeakPolarHBondContact CE-OD2 3.47Å; K439-D545 IonicContact NZ-OD1 2.73Å; K439-D545 PolarHBondContact NZ-OD1 3.25Å; K439-D545 IonicContact NZ-OD2 2.81Å; K439-D545 PolarHBondContact NZ-OD2 2.75Å
440I84.6Confident86.2Confident5 Ų567.4 Ų67.43%0.02634%0.341CS..  trans-115.983.5-169.5-48.5173.7000108M389 F430 F435 W442 L443 F543M389-I440 HydrophobicContact SD-CD1 3.31Å; M389-I440 WeakPolarHBondContact SD-CD1 3.15Å; F430-I440 HydrophobicContact CE1-CD1 4.07Å; F430-I440 HydrophobicContact CZ-CD1 3.84Å; F435-I440 HydrophobicContact CE2-CD1 3.64Å; F435-I440 HydrophobicContact CE2-CG1 4.29Å; F435-I440 HydrophobicContact CZ-CD1 4.24Å; I440-W442 VanDerWaalsContact C-N 3.31Å; I440-W442 HydrophobicContact CG2-CD2 3.9Å; I440-W442 VanDerWaalsContact CG2-CE2 3.43Å; I440-W442 HydrophobicContact CG2-CG 4.2Å; I440-W442 HydrophobicContact CG2-CZ2 3.82Å; I440-W442 PolarHBondContact O-N 2.65Å; I440-L443 HydrophobicContact CB-CB 4.3Å; I440-L443 HydrophobicContact CG2-CB 3.54Å; I440-L443 HydrophobicContact CG2-CD2 4.49Å; I440-L443 PolarHBondContact O-N 3.08Å; I440-F543 HydrophobicContact CB-CB 4.19Å; I440-F543 PolarHBondContact N-O 2.97Å
441N83Confident86.1Confident110 Ų11069.5 Ų69.559%0.58835%0.348SS*.THydrogen-bonded Turntrans-68.5-29.6-172.6-68.4-20.1000113.6L443N441-L443 VanDerWaalsContact C-N 3.33Å
442W85.8Confident86.2Confident92 Ų9272.7 Ų72.735%0.34836%0.356SS..THydrogen-bonded Turntrans-75.2-23.6-179.459.7-101.8000112.7I310 F361 K363 H428 F430 I440 K444I310-W442 HydrophobicContact CD1-CH2 3.5Å; I310-W442 HydrophobicContact CD1-CZ2 4.39Å; I310-W442 HydrophobicContact CD1-CZ3 4.17Å; F361-W442 AromaticContact CE1-CH2 3.77Å; F361-W442 HydrophobicContact CE1-CH2 3.77Å; F361-W442 AromaticContact CE1-CZ3 3.56Å; F361-W442 HydrophobicContact CE1-CZ3 3.56Å; F361-W442 HydrophobicContact CZ-CH2 4.09Å; F361-W442 AromaticContact CZ-CZ3 3.69Å; F361-W442 HydrophobicContact CZ-CZ3 3.69Å; K363-W442 HydrophobicContact CB-CE3 3.81Å; K363-W442 HydrophobicContact CB-CZ3 3.9Å; K363-W442 HydrophobicContact CD-CE3 4.45Å; K363-W442 HydrophobicContact CD-CZ3 4.39Å; K363-W442 HydrophobicContact CG-CE3 4.04Å; K363-W442 HydrophobicContact CG-CH2 4.26Å; K363-W442 HydrophobicContact CG-CZ3 3.74Å; K363-W442 VanDerWaalsContact O-O 3.06Å; H428-W442 AromaticContact CD2-CH2 3.96Å; H428-W442 AromaticContact CD2-CZ2 3.82Å; H428-W442 AromaticContact NE2-CZ2 3.78Å; F430-W442 AromaticContact CE1-CZ2 3.9Å; F430-W442 HydrophobicContact CE1-CZ2 3.9Å; F430-W442 HydrophobicContact CZ-CZ2 4.06Å; I440-W442 VanDerWaalsContact C-N 3.31Å; I440-W442 HydrophobicContact CG2-CD2 3.9Å; I440-W442 VanDerWaalsContact CG2-CE2 3.43Å; I440-W442 HydrophobicContact CG2-CG 4.2Å; I440-W442 HydrophobicContact CG2-CZ2 3.82Å; I440-W442 PolarHBondContact O-N 2.65Å; W442-K444 PolarHBondContact O-N 2.91Å
443L87.3Confident86.3Confident1 Ų169.4 Ų69.41%0.00534%0.339CS..  trans-91.1104.5-175.9177.959.4000111I310 F345 F361 Y367 I440 N441 V445 F543I310-L443 HydrophobicContact CD1-CD1 4.44Å; I310-L443 HydrophobicContact CD1-CD2 3.88Å; F345-L443 HydrophobicContact CZ-CD2 4.44Å; F361-L443 HydrophobicContact CE2-CD1 4.03Å; F361-L443 HydrophobicContact CZ-CD1 3.63Å; Y367-L443 HydrophobicContact CD2-CD1 4.04Å; Y367-L443 HydrophobicContact CE2-CD1 4.2Å; I440-L443 HydrophobicContact CB-CB 4.3Å; I440-L443 HydrophobicContact CG2-CB 3.54Å; I440-L443 HydrophobicContact CG2-CD2 4.49Å; I440-L443 PolarHBondContact O-N 3.08Å; N441-L443 VanDerWaalsContact C-N 3.33Å; L443-V445 VanDerWaalsContact C-N 3.3Å; L443-V445 HydrophobicContact CD1-CG2 4.05Å; L443-V445 HydrophobicContact CD2-CG2 4.03Å; L443-V445 HydrophobicContact CG-CG2 3.81Å; L443-V445 PolarHBondContact O-N 3.17Å; L443-F543 HydrophobicContact CD2-CD2 3.78Å; L443-F543 HydrophobicContact CD2-CE2 3.95Å; L443-F543 HydrophobicContact CG-CD2 4.27Å
444K87.9Confident86.5Confident86 Ų8666.5 Ų66.537%0.37432%0.32SS..EExtended strand (participates in β ladder)trans-84.163.4-176.4-60.9177.4-177.1173.40113.1E366 Y367 W442 L541E366-K444 HydrophobicContact CG-CB 4.41Å; E366-K444 HydrophobicContact CG-CD 4.23Å; Y367-K444 PolarHBondContact N-O 2.91Å; W442-K444 PolarHBondContact O-N 2.91Å; K444-L541 HydrophobicContact CB-CD2 4.03Å; K444-L541 HydrophobicContact CG-CD2 4.5Å
445V90.1Very high86.8Confident0 Ų058.6 Ų58.60%029%0.285CS..EExtended strand (participates in β ladder)trans-83.1121.1168-176.80000110F345 Y367 W369 L443 L541 V542 F543F345-V445 HydrophobicContact CB-CG1 3.77Å; F345-V445 HydrophobicContact CB-CG2 4.06Å; F345-V445 HydrophobicContact CD1-CG2 3.92Å; F345-V445 HydrophobicContact CD2-CG2 3.99Å; F345-V445 HydrophobicContact CE1-CG2 4.32Å; F345-V445 HydrophobicContact CE2-CG2 4.38Å; F345-V445 HydrophobicContact CG-CG1 4.33Å; F345-V445 HydrophobicContact CG-CG2 3.73Å; Y367-V445 CarbonylContact O-C 3.59Å; Y367-V445 VanDerWaalsContact O-CA 3.3Å; Y367-V445 WeakPolarHBondContact O-CA 2.95Å; W369-V445 HydrophobicContact CB-CG1 4.05Å; W369-V445 HydrophobicContact CE3-CG1 4.04Å; L443-V445 VanDerWaalsContact C-N 3.3Å; L443-V445 HydrophobicContact CD1-CG2 4.05Å; L443-V445 HydrophobicContact CD2-CG2 4.03Å; L443-V445 HydrophobicContact CG-CG2 3.81Å; L443-V445 PolarHBondContact O-N 3.17Å; V445-L541 CarbonylContact O-C 3.57Å; V445-L541 WeakPolarHBondContact O-CA 3.28Å; V445-V542 HydrophobicContact CG1-CG2 4.36Å; V445-V542 PolarHBondContact O-N 2.74Å; V445-F543 HydrophobicContact CB-CD2 3.87Å; V445-F543 HydrophobicContact CB-CE2 3.68Å; V445-F543 HydrophobicContact CG1-CE2 4.19Å; V445-F543 HydrophobicContact CG2-CD2 3.86Å; V445-F543 HydrophobicContact CG2-CE2 3.49Å; V445-F543 VanDerWaalsContact CG2-CE2 3.49Å
446Y90.4Very high87Confident19 Ų1961.3 Ų61.38%0.07530%0.298CS..EExtended strand (participates in β ladder)trans-117.7151.5-176.768.2-98.5000113.5E348 E366 Y367 A368 W369 K539 R540 F550E348-Y446 WeakPolarHBondContact CG-OH 3.34Å; E348-Y446 PolarHBondContact OE1-OH 3.37Å; E366-Y446 HydrophobicContact CB-CD1 4.43Å; E366-Y446 HydrophobicContact CB-CE1 4.1Å; Y367-Y446 WeakPolarHBondContact O-CD1 3.19Å; Y367-Y446 PolarHBondContact O-N 2.64Å; A368-Y446 HydrophobicContact CB-CE2 4.17Å; W369-Y446 VanDerWaalsContact CB-O 3.25Å; W369-Y446 WeakPolarHBondContact CB-O 3.32Å; W369-Y446 PolarHBondContact N-O 3.05Å; Y446-K539 HydrophobicContact CD1-CD 3.98Å; Y446-K539 HydrophobicContact CD2-CB 3.91Å; Y446-K539 HydrophobicContact CD2-CD 3.87Å; Y446-K539 HydrophobicContact CD2-CG 3.58Å; Y446-K539 HydrophobicContact CE1-CD 3.98Å; Y446-K539 HydrophobicContact CE2-CD 3.91Å; Y446-K539 HydrophobicContact CE2-CG 3.89Å; Y446-K539 HydrophobicContact CG-CB 3.91Å; Y446-K539 HydrophobicContact CG-CD 3.91Å; Y446-K539 HydrophobicContact CG-CG 3.94Å; Y446-R540 CarbonylContact C-O 3.46Å; Y446-R540 VanDerWaalsContact CA-O 3.3Å; Y446-R540 WeakPolarHBondContact CA-O 3.43Å; Y446-F550 HydrophobicContact CD1-CZ 4.06Å; Y446-F550 HydrophobicContact CG-CZ 4.25Å
447K90.4Very high87.8Confident42 Ų4261.9 Ų61.918%0.18330%0.3CS..EExtended strand (participates in β ladder)trans-103123.7162.9-73.7176.6-175.8-162.30108.8W369 R449 R540 V542W369-K447 HydrophobicContact CB-CG 3.57Å; W369-K447 VanDerWaalsContact CD2-CE 3.4Å; W369-K447 HydrophobicContact CD2-CG 4.46Å; W369-K447 HydrophobicContact CG-CD 4.19Å; W369-K447 HydrophobicContact CG-CG 3.69Å; K447-R449 PolarHBondContact O-N 2.84Å; K447-R540 PolarHBondContact N-O 2.64Å; K447-R540 PolarHBondContact O-N 2.73Å; K447-V542 HydrophobicContact CD-CG2 4.08Å; K447-V542 HydrophobicContact CG-CG2 3.76Å
448P87.1Confident88.5Confident93 Ų9360.6 Ų60.660%0.60428%0.278SS*.EExtended strand (participates in β ladder)trans-62.8133169.327-32000108.6
449R89.8Confident89.1Confident121 Ų12164.2 Ų64.246%0.45729%0.289SS..EExtended strand (participates in β ladder)trans-132.8149.6179.6-69.1-63.3-169.2168.33.4108.9K447 R537 F538 R540K447-R449 PolarHBondContact O-N 2.84Å; R449-R537 WeakPolarHBondContact O-CA 3.27Å; R449-F538 HydrophobicContact CB-CD1 4.17Å; R449-F538 HydrophobicContact CB-CD2 3.9Å; R449-F538 HydrophobicContact CB-CE1 3.73Å; R449-F538 HydrophobicContact CB-CE2 3.48Å; R449-F538 VanDerWaalsContact CB-CE2 3.48Å; R449-F538 HydrophobicContact CB-CG 4.25Å; R449-F538 HydrophobicContact CB-CZ 3.38Å; R449-F538 HydrophobicContact CG-CE2 3.96Å; R449-F538 HydrophobicContact CG-CZ 4.13Å; R449-F538 PolarHBondContact N-O 2.91Å; R449-F538 PolarHBondContact O-N 2.91Å; R449-F538 VanDerWaalsContact O-O 3.12Å; R449-R540 HydrophobicContact CG-CB 4.31Å
450V91.8Very high89.5Confident73 Ų7364.7 Ų64.744%0.44230%0.297SS..EExtended strand (participates in β ladder)trans-131.2128.6177.4-174.30000107.1R452 E535 M536 R537V450-R452 HydrophobicContact CG1-CG 4.13Å; V450-E535 HydrophobicContact CG1-CG 3.28Å; V450-M536 WeakPolarHBondContact CA-O 2.96Å; V450-R537 HydrophobicContact CG2-CG 4.23Å
451R91.8Very high89.6Confident63 Ų6370 Ų7024%0.23832%0.322CS..EExtended strand (participates in β ladder)trans-109.4137.9165.5-84.3178.5-178.3-80.52.3108.4M469 Y479 M536 F538R451-M469 HydrophobicContact CB-CG 3.95Å; R451-M469 PolarHBondContact NH1-O 3.04Å; R451-M469 VanDerWaalsContact NH1-O 3.07Å; R451-Y479 PolarHBondContact NH2-OH 2.81Å; R451-M536 HydrophobicContact CB-CB 4.45Å; R451-M536 HydrophobicContact CB-CE 4.02Å; R451-M536 HydrophobicContact CG-CE 4.38Å; R451-M536 PolarHBondContact N-O 2.78Å; R451-M536 PolarHBondContact O-N 3.49Å; R451-F538 HydrophobicContact CB-CE1 4.27Å; R451-F538 HydrophobicContact CG-CE1 3.86Å; R451-F538 HydrophobicContact CG-CZ 4.37Å
452R94.6Very high90Very high164 Ų16470.1 Ų70.162%0.61932%0.317SS*.EExtended strand (participates in β ladder)trans-123138.4-179.7-67.7-179.9174167.6-0.6109.3V450 M469 V534 E535V450-R452 HydrophobicContact CG1-CG 4.13Å; R452-M469 WeakPolarHBondContact O-CA 3.22Å; R452-V534 CarbonylContact C-O 3.59Å; R452-V534 VanDerWaalsContact CA-O 3.27Å; R452-V534 WeakPolarHBondContact CA-O 3.4Å; R452-E535 HydrophobicContact CG-CG 4.3Å; R452-E535 IonicContact CZ-OE2 3.17Å; R452-E535 IonicContact NE-OE2 3.79Å; R452-E535 PolarHBondContact NE-OE2 3.4Å; R452-E535 IonicContact NH2-OE2 2.72Å; R452-E535 PolarHBondContact NH2-OE2 2.75Å; R452-E535 VanDerWaalsContact NH2-OE2 3.08Å
453G93.6Very high90.4Very high4 Ų469.3 Ų69.34%0.04131%0.314CS..EExtended strand (participates in β ladder)trans-138.6-177.2172.200000111R467 R533 V534G453-R467 CarbonylContact C-O 3.57Å; G453-R467 WeakPolarHBondContact CA-O 3.38Å; G453-R533 CarbonylContact O-C 3.53Å; G453-R533 WeakPolarHBondContact O-CA 3.42Å; G453-V534 PolarHBondContact N-O 3.01Å; G453-V534 PolarHBondContact O-N 2.99Å
454V93.3Very high90.7Very high18 Ų1869.3 Ų69.311%0.10931%0.314CS..EExtended strand (participates in β ladder)trans-126.7134.4-179.9178.30000109.1E456 V466 R467 L531V454-E456 PolarHBondContact O-N 3.47Å; V454-V466 CarbonylContact O-C 3.59Å; V454-V466 WeakPolarHBondContact O-CA 3.33Å; V454-R467 HydrophobicContact CB-CG 4.3Å; V454-R467 PolarHBondContact N-O 3.23Å; V454-R467 PolarHBondContact O-N 3.11Å; V454-L531 HydrophobicContact CG1-CB 3.93Å; V454-L531 HydrophobicContact CG1-CD1 4.21Å; V454-L531 HydrophobicContact CG1-CD2 4.02Å; V454-L531 HydrophobicContact CG1-CG 4.27Å; V454-L531 HydrophobicContact CG2-CD1 4.21Å
455V92.9Very high90.9Very high0 Ų065.7 Ų65.70%030%0.299CS..EExtended strand (participates in β ladder)trans-67.7118.9172.8-178.60000108.6I458 A464 V466 L486 V520 Q523 V532 V534V455-I458 HydrophobicContact CG1-CD1 4.41Å; V455-I458 HydrophobicContact CG1-CG1 3.84Å; V455-A464 HydrophobicContact CG1-CB 4.1Å; V455-V466 HydrophobicContact CG2-CG2 4.44Å; V455-L486 HydrophobicContact CG2-CD2 4.26Å; V455-L486 HydrophobicContact CG2-CG 4.42Å; V455-V520 HydrophobicContact CB-CG2 4.13Å; V455-V520 HydrophobicContact CG1-CG1 4.25Å; V455-V520 HydrophobicContact CG1-CG2 3.77Å; V455-Q523 PolarHBondContact O-OE1 2.8Å; V455-V532 HydrophobicContact CB-CB 4.18Å; V455-V532 HydrophobicContact CB-CG1 4.24Å; V455-V532 HydrophobicContact CG2-CB 4.15Å; V455-V532 HydrophobicContact CG2-CG1 3.68Å; V455-V532 PolarHBondContact N-O 2.74Å; V455-V534 HydrophobicContact CG2-CG2 3.42Å; V455-V534 VanDerWaalsContact CG2-CG2 3.42Å
456E89.9Confident91.1Very high63 Ų6365.7 Ų65.729%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-88.4-39.6177.6-177.9178.6-165.200111.9V454 T465 R467 K503V454-E456 PolarHBondContact O-N 3.47Å; E456-T465 PolarHBondContact N-O 3.45Å; E456-R467 HydrophobicContact CB-CG 4.27Å; E456-K503 IonicContact OE1-NZ 2.69Å; E456-K503 PolarHBondContact OE1-NZ 2.94Å; E456-K503 WeakPolarHBondContact OE2-CD 3.38Å; E456-K503 WeakPolarHBondContact OE2-CE 3.46Å; E456-K503 IonicContact OE2-NZ 3.33Å; E456-K503 PolarHBondContact OE2-NZ 2.78Å
457R90.1Very high91.1Very high126 Ų12667.5 Ų67.548%0.47531%0.306SS..EExtended strand (participates in β ladder)trans-157.1154177.659.4175.2-175.9-175.40.8110.7A464 T465R457-A464 WeakPolarHBondContact O-CA 3.36Å; R457-T465 HydrophobicContact CG-CG2 4.47Å; R457-T465 WeakPolarHBondContact CG-OG1 3.38Å; R457-T465 PolarHBondContact NE-OG1 3.32Å; R457-T465 VanDerWaalsContact NE-OG1 3.16Å; R457-T465 PolarHBondContact O-N 2.95Å
458I90.5Very high91.1Very high39 Ų3970.4 Ų70.420%0.232%0.323CS..EExtended strand (participates in β ladder)trans-113.7133.3171.8-61.7172.5000107.8V455 Y463 A464 A512 T516 I517 V520V455-I458 HydrophobicContact CG1-CD1 4.41Å; V455-I458 HydrophobicContact CG1-CG1 3.84Å; I458-Y463 CarbonylContact C-O 3.59Å; I458-Y463 WeakPolarHBondContact CA-O 3.2Å; I458-A464 HydrophobicContact CG1-CB 4.38Å; I458-A512 HydrophobicContact CD1-CB 3.86Å; I458-A512 HydrophobicContact CG2-CB 4.14Å; I458-T516 HydrophobicContact CD1-CG2 4.05Å; I458-I517 HydrophobicContact CD1-CG1 4.14Å; I458-V520 HydrophobicContact CD1-CB 4.34Å; I458-V520 HydrophobicContact CD1-CG2 3.89Å; I458-V520 HydrophobicContact CG1-CG1 4.5Å; I458-V520 HydrophobicContact CG1-CG2 4.36Å
459K88.2Confident91.3Very high126 Ų12666.2 Ų66.255%0.54830%0.296SS..EExtended strand (participates in β ladder)trans-119.1132.6178.6-169.5-167.4174.2-1650108.7E461 K462 Y463K459-E461 PolarHBondContact O-N 3.41Å; K459-K462 PolarHBondContact O-N 2.67Å; K459-Y463 PolarHBondContact N-O 3.12Å; K459-Y463 PolarHBondContact O-N 3.47Å
460D85.8Confident91.3Very high113 Ų11360.9 Ų60.960%0.60428%0.276SS*.THydrogen-bonded Turntrans52.427.9174.7-48.6-33.1000114.2K462D460-K462 PolarHBondContact O-N 2.87Å
461E87.3Confident91Very high118 Ų11867.9 Ų67.955%0.55129%0.294SS*.THydrogen-bonded Turntrans58.5-16.2-173.9-54.3-174.8160.800116K459 G511 A512 I517K459-E461 PolarHBondContact O-N 3.41Å; E461-G511 CarbonylContact O-C 3.56Å; E461-G511 WeakPolarHBondContact O-CA 3.27Å; E461-A512 PolarHBondContact O-N 3.37Å; E461-I517 HydrophobicContact CG-CD1 3.99Å
462K92.2Very high90.6Very high111 Ų11172.9 Ų72.948%0.48332%0.318SS..THydrogen-bonded Turntrans-103.6-16.2-174.2-68.1-176.4178.8179.50113.9K459 D460 F507 L508K459-K462 PolarHBondContact O-N 2.67Å; D460-K462 PolarHBondContact O-N 2.87Å; K462-F507 HydrophobicContact CB-CD2 4.41Å; K462-F507 HydrophobicContact CB-CE2 4.15Å; K462-F507 HydrophobicContact CD-CE2 4.43Å; K462-F507 CarbonylContact O-C 3.53Å; K462-F507 WeakPolarHBondContact O-CA 3.5Å; K462-L508 PolarHBondContact O-N 3.24Å
463Y93.5Very high89.9Confident76 Ų7668.9 Ų68.930%0.29833%0.328SS..EExtended strand (participates in β ladder)trans-124.9118.2-175.4-64.6-82.4000111.5I458 K459 E495 T505 V506 F507I458-Y463 CarbonylContact C-O 3.59Å; I458-Y463 WeakPolarHBondContact CA-O 3.2Å; K459-Y463 PolarHBondContact N-O 3.12Å; K459-Y463 PolarHBondContact O-N 3.47Å; Y463-E495 WeakPolarHBondContact CE1-OE2 3.49Å; Y463-T505 HydrophobicContact CD1-CG2 3.93Å; Y463-V506 CarbonylContact C-O 3.54Å; Y463-V506 WeakPolarHBondContact CA-O 3.36Å; Y463-F507 HydrophobicContact CD1-CB 4.39Å; Y463-F507 HydrophobicContact CD1-CD2 4.11Å; Y463-F507 HydrophobicContact CE1-CB 4.18Å; Y463-F507 AromaticContact CE1-CD2 3.56Å; Y463-F507 HydrophobicContact CE1-CD2 3.56Å; Y463-F507 HydrophobicContact CE1-CE2 4.4Å; Y463-F507 HydrophobicContact CE1-CG 4.27Å; Y463-F507 HydrophobicContact CE2-CD2 4.4Å; Y463-F507 AromaticContact CZ-CD2 3.74Å
464A92.9Very high89.4Confident0 Ų070.8 Ų70.80%034%0.34CS..EExtended strand (participates in β ladder)trans-102.1127.417400000110.3V455 R457 I458 V466 T505 V506 L508V455-A464 HydrophobicContact CG1-CB 4.1Å; R457-A464 WeakPolarHBondContact O-CA 3.36Å; I458-A464 HydrophobicContact CG1-CB 4.38Å; A464-V466 HydrophobicContact CB-CG2 4.49Å; A464-T505 WeakPolarHBondContact O-CA 3.32Å; A464-V506 HydrophobicContact CB-CB 4.36Å; A464-V506 PolarHBondContact N-O 3.12Å; A464-V506 PolarHBondContact O-N 3.46Å; A464-L508 HydrophobicContact CB-CD1 4.35Å
465T93.1Very high89Confident10 Ų1074.5 Ų74.56%0.06136%0.359CS..EExtended strand (participates in β ladder)trans-82.7123.3165.6-53.70000108.2E456 R457 K503E456-T465 PolarHBondContact N-O 3.45Å; R457-T465 HydrophobicContact CG-CG2 4.47Å; R457-T465 WeakPolarHBondContact CG-OG1 3.38Å; R457-T465 PolarHBondContact NE-OG1 3.32Å; R457-T465 VanDerWaalsContact NE-OG1 3.16Å; R457-T465 PolarHBondContact O-N 2.95Å; T465-K503 HydrophobicContact CG2-CD 4.4Å
466V93.3Very high88.7Confident0 Ų075.1 Ų75.10%036%0.363CS..EExtended strand (participates in β ladder)trans-115.1131.2-177.8-177.60000109.7V454 V455 A464 M469 K503 V504 V506 V534V454-V466 CarbonylContact O-C 3.59Å; V454-V466 WeakPolarHBondContact O-CA 3.33Å; V455-V466 HydrophobicContact CG2-CG2 4.44Å; A464-V466 HydrophobicContact CB-CG2 4.49Å; V466-M469 HydrophobicContact CG1-CB 4.37Å; V466-M469 HydrophobicContact CG1-CE 4.14Å; V466-K503 WeakPolarHBondContact O-CA 3.23Å; V466-V504 HydrophobicContact CB-CG2 3.89Å; V466-V504 HydrophobicContact CG1-CG2 4.41Å; V466-V504 PolarHBondContact N-O 3.48Å; V466-V504 PolarHBondContact O-N 3.26Å; V466-V506 HydrophobicContact CB-CG2 4.5Å; V466-V506 HydrophobicContact CG2-CB 4.23Å; V466-V506 HydrophobicContact CG2-CG2 3.63Å; V466-V534 HydrophobicContact CG1-CB 4.1Å; V466-V534 HydrophobicContact CG1-CG2 4Å; V466-V534 HydrophobicContact CG2-CB 4.44Å; V466-V534 HydrophobicContact CG2-CG2 3.75Å
467R91.3Very high88.5Confident57 Ų5778.9 Ų78.922%0.21538%0.38CS..EExtended strand (participates in β ladder)trans-106.9166.5174.764.1174.1179.2107.7-6.3111.6G453 V454 E456 M469 K503G453-R467 CarbonylContact C-O 3.57Å; G453-R467 WeakPolarHBondContact CA-O 3.38Å; V454-R467 HydrophobicContact CB-CG 4.3Å; V454-R467 PolarHBondContact N-O 3.23Å; V454-R467 PolarHBondContact O-N 3.11Å; E456-R467 HydrophobicContact CB-CG 4.27Å; R467-M469 PolarHBondContact O-N 2.91Å; R467-K503 HydrophobicContact CB-CG 4.34Å
468D90.1Very high88.2Confident103 Ų10375.5 Ų75.555%0.55138%0.375SS*.SBendtrans63.22.3172.8-52.6-38.8000116.7
469M90.6Very high88.1Confident5 Ų574.7 Ų74.73%0.02537%0.369CS..SBendtrans-72.4-32.1173.6-168.9175-78.600113.1R451 R452 V466 R467 L494 V504 V534 M536R451-M469 HydrophobicContact CB-CG 3.95Å; R451-M469 PolarHBondContact NH1-O 3.04Å; R451-M469 VanDerWaalsContact NH1-O 3.07Å; R452-M469 WeakPolarHBondContact O-CA 3.22Å; V466-M469 HydrophobicContact CG1-CB 4.37Å; V466-M469 HydrophobicContact CG1-CE 4.14Å; R467-M469 PolarHBondContact O-N 2.91Å; M469-L494 HydrophobicContact SD-CD1 3.87Å; M469-V504 HydrophobicContact SD-CG2 4.37Å; M469-V534 HydrophobicContact CE-CB 3.8Å; M469-V534 HydrophobicContact CE-CG1 3.6Å; M469-M536 HydrophobicContact CE-CB 4.48Å; M469-M536 HydrophobicContact SD-CB 4.42Å
470F90.2Very high88.2Confident9 Ų972.3 Ų72.34%0.03936%0.362CS..SBendtrans-129.7143.4178.9-61.5-87000110.2C474 I476 Y479 L494 V504 M536F470-C474 HydrophobicContact CB-CB 4.22Å; F470-C474 HydrophobicContact CD1-CB 4.46Å; F470-I476 HydrophobicContact CB-CG1 4.36Å; F470-I476 HydrophobicContact CD1-CG1 4.2Å; F470-I476 HydrophobicContact CD2-CG1 4.2Å; F470-I476 HydrophobicContact CE2-CG2 4.45Å; F470-I476 HydrophobicContact CG-CG1 3.99Å; F470-Y479 HydrophobicContact CE1-CD1 4.14Å; F470-Y479 AromaticContact CE1-CD2 3.52Å; F470-Y479 HydrophobicContact CE1-CD2 3.52Å; F470-Y479 HydrophobicContact CE1-CE1 4.22Å; F470-Y479 AromaticContact CE1-CE2 3.67Å; F470-Y479 HydrophobicContact CE1-CE2 3.67Å; F470-Y479 AromaticContact CE1-CG 3.77Å; F470-Y479 HydrophobicContact CE1-CG 3.77Å; F470-Y479 HydrophobicContact CZ-CD1 4.19Å; F470-Y479 AromaticContact CZ-CD2 3.92Å; F470-Y479 HydrophobicContact CZ-CD2 3.92Å; F470-Y479 HydrophobicContact CZ-CE2 4.48Å; F470-Y479 AromaticContact CZ-CG 3.75Å; F470-Y479 HydrophobicContact CZ-CG 3.75Å; F470-L494 HydrophobicContact CE2-CD1 4.03Å; F470-V504 HydrophobicContact CD2-CG1 3.61Å; F470-V504 HydrophobicContact CD2-CG2 4.41Å; F470-V504 HydrophobicContact CE2-CG1 3.77Å; F470-V504 HydrophobicContact CE2-CG2 4.34Å; F470-M536 HydrophobicContact CZ-CE 3.93Å
471R86.1Confident88.4Confident220 Ų22068 Ų6883%0.8334%0.344SS*.  trans-71.1152.3170-66-177.1-179.4-179.7-1.9109.3G473 C474R471-G473 PolarHBondContact O-N 2.73Å; R471-C474 WeakPolarHBondContact O-CB 3.18Å; R471-C474 PolarHBondContact O-N 2.83Å; R471-C474 VanDerWaalsContact O-N 3.11Å
472K83.9Confident88.6Confident168 Ų16863 Ų6373%0.7332%0.323SS*.THydrogen-bonded Turntrans-51.9135.4171.2-67.1-173.8179.9178.60110.3C474K472-C474 VanDerWaalsContact C-N 3.3Å; K472-C474 PolarHBondContact O-N 3Å
473G79.5Confident88.7Confident80 Ų8061.8 Ų61.883%0.82532%0.321SS*.THydrogen-bonded Turntrans76.92-178.600000116.1R471R471-G473 PolarHBondContact O-N 2.73Å
474C83.5Confident88.8Confident44 Ų4458.2 Ų58.230%0.29731%0.307SS..  trans-69.2135174-170.70000110.6F470 R471 K472 I476F470-C474 HydrophobicContact CB-CB 4.22Å; F470-C474 HydrophobicContact CD1-CB 4.46Å; R471-C474 WeakPolarHBondContact O-CB 3.18Å; R471-C474 PolarHBondContact O-N 2.83Å; R471-C474 VanDerWaalsContact O-N 3.11Å; K472-C474 VanDerWaalsContact C-N 3.3Å; K472-C474 PolarHBondContact O-N 3Å; C474-I476 PolarHBondContact O-N 2.86Å
475N83.9Confident89Confident96 Ų9661.6 Ų61.651%0.51333%0.328SS..  trans-67.4116.1169.4-172.90.8000109.8E477N475-E477 WeakPolarHBondContact OD1-CB 3.13Å; N475-E477 PolarHBondContact OD1-N 2.96Å
476I86.4Confident89Confident14 Ų1461.3 Ų61.37%0.07233%0.326CS..  trans-93.9-19.7-177.9-64.6156.7000111.3F470 C474 P478 Y479 L480 L494 S497 V504F470-I476 HydrophobicContact CB-CG1 4.36Å; F470-I476 HydrophobicContact CD1-CG1 4.2Å; F470-I476 HydrophobicContact CD2-CG1 4.2Å; F470-I476 HydrophobicContact CE2-CG2 4.45Å; F470-I476 HydrophobicContact CG-CG1 3.99Å; C474-I476 PolarHBondContact O-N 2.86Å; I476-P478 VanDerWaalsContact C-N 3.32Å; I476-P478 VanDerWaalsContact O-N 3.15Å; I476-Y479 WeakPolarHBondContact O-CB 3.22Å; I476-Y479 PolarHBondContact O-N 2.83Å; I476-L480 HydrophobicContact CG2-CD2 3.98Å; I476-L480 PolarHBondContact O-N 3.36Å; I476-L494 HydrophobicContact CG2-CD2 3.91Å; I476-S497 VanDerWaalsContact CD1-CB 3.46Å; I476-V504 HydrophobicContact CD1-CG1 3.87Å; I476-V504 HydrophobicContact CG1-CG1 4.31Å; I476-V504 HydrophobicContact CG2-CG1 3.88Å
477E85.5Confident89Confident141 Ų14165 Ų6566%0.65935%0.352SS*.G310 helixtrans-48.6-42.8-175.9-165.6179.8-165.700113.9N475 Y479 L480N475-E477 WeakPolarHBondContact OD1-CB 3.13Å; N475-E477 PolarHBondContact OD1-N 2.96Å; E477-Y479 PolarHBondContact O-N 3.07Å; E477-Y479 VanDerWaalsContact O-N 3.09Å; E477-L480 PolarHBondContact O-N 3.5Å
478P85.5Confident88.9Confident56 Ų5664 Ų6436%0.36435%0.352SS..G310 helixtrans-67.8-11.9179.4-20.935000115.2I476 I549I476-P478 VanDerWaalsContact C-N 3.32Å; I476-P478 VanDerWaalsContact O-N 3.15Å; P478-I549 HydrophobicContact CB-CD1 4.07Å
479Y88.5Confident89Confident21 Ų2161.3 Ų61.38%0.08235%0.349CS..G310 helixtrans-104.5-8.5-177.5-53.9-91.4000112.3R451 F470 I476 E477 G481 C482 L494 M536 F538 I549R451-Y479 PolarHBondContact NH2-OH 2.81Å; F470-Y479 HydrophobicContact CE1-CD1 4.14Å; F470-Y479 AromaticContact CE1-CD2 3.52Å; F470-Y479 HydrophobicContact CE1-CD2 3.52Å; F470-Y479 HydrophobicContact CE1-CE1 4.22Å; F470-Y479 AromaticContact CE1-CE2 3.67Å; F470-Y479 HydrophobicContact CE1-CE2 3.67Å; F470-Y479 AromaticContact CE1-CG 3.77Å; F470-Y479 HydrophobicContact CE1-CG 3.77Å; F470-Y479 HydrophobicContact CZ-CD1 4.19Å; F470-Y479 AromaticContact CZ-CD2 3.92Å; F470-Y479 HydrophobicContact CZ-CD2 3.92Å; F470-Y479 HydrophobicContact CZ-CE2 4.48Å; F470-Y479 AromaticContact CZ-CG 3.75Å; F470-Y479 HydrophobicContact CZ-CG 3.75Å; I476-Y479 WeakPolarHBondContact O-CB 3.22Å; I476-Y479 PolarHBondContact O-N 2.83Å; E477-Y479 PolarHBondContact O-N 3.07Å; E477-Y479 VanDerWaalsContact O-N 3.09Å; Y479-G481 PolarHBondContact O-N 2.83Å; Y479-C482 VanDerWaalsContact O-CB 3.26Å; Y479-C482 WeakPolarHBondContact O-CB 3.12Å; Y479-C482 PolarHBondContact O-N 2.9Å; Y479-C482 VanDerWaalsContact O-N 3.12Å; Y479-C482 PolarHBondContact O-SG 3.11Å; Y479-C482 VanDerWaalsContact O-SG 3.37Å; Y479-L494 WeakPolarHBondContact O-CD2 3.37Å; Y479-M536 HydrophobicContact CD1-CE 3.33Å; Y479-M536 HydrophobicContact CD1-SD 4.27Å; Y479-M536 HydrophobicContact CE1-CE 4.01Å; Y479-M536 HydrophobicContact CG-CE 4.03Å; Y479-F538 HydrophobicContact CE1-CE1 4.08Å; Y479-F538 AromaticContact CE1-CE2 3.98Å; Y479-F538 HydrophobicContact CE1-CE2 3.98Å; Y479-F538 AromaticContact CE1-CZ 3.73Å; Y479-F538 HydrophobicContact CE1-CZ 3.73Å; Y479-I549 HydrophobicContact CD1-CD1 3.69Å; Y479-I549 HydrophobicContact CD2-CD1 4.43Å; Y479-I549 HydrophobicContact CE1-CD1 3.24Å; Y479-I549 HydrophobicContact CE1-CG1 4.34Å; Y479-I549 HydrophobicContact CE2-CD1 4.03Å; Y479-I549 HydrophobicContact CG-CD1 4.29Å; Y479-I549 VanDerWaalsContact CZ-CD1 3.43Å
480L89.3Confident89.1Confident76 Ų7661.9 Ų61.940%0.39835%0.351SS..THydrogen-bonded Turntrans-59.5136.2176.3-60.4-177.2000109.7I476 E477 C482 L494 E495I476-L480 HydrophobicContact CG2-CD2 3.98Å; I476-L480 PolarHBondContact O-N 3.36Å; E477-L480 PolarHBondContact O-N 3.5Å; L480-C482 VanDerWaalsContact C-N 3.31Å; L480-C482 PolarHBondContact O-N 3.42Å; L480-L494 HydrophobicContact CD2-CD2 3.73Å; L480-E495 WeakPolarHBondContact CD2-O 3.47Å
481G90.2Very high89.2Confident23 Ų2365.3 Ų65.324%0.23737%0.373CS..THydrogen-bonded Turntrans81.9-3.1-176.400000115.3Y479 R493 L494Y479-G481 PolarHBondContact O-N 2.83Å; G481-R493 VanDerWaalsContact CA-NE 3.27Å; G481-R493 WeakPolarHBondContact O-CG 3.44Å; G481-R493 PolarHBondContact O-NE 2.86Å; G481-L494 WeakPolarHBondContact CA-O 3.26Å; G481-L494 PolarHBondContact N-O 2.93Å
482C91.9Very high89.6Confident14 Ų1455 Ų5510%0.09533%0.334CS..  trans-71.3140.2176.1-70.60000111.2Y479 L480 R493 L494 M536Y479-C482 VanDerWaalsContact O-CB 3.26Å; Y479-C482 WeakPolarHBondContact O-CB 3.12Å; Y479-C482 PolarHBondContact O-N 2.9Å; Y479-C482 VanDerWaalsContact O-N 3.12Å; Y479-C482 PolarHBondContact O-SG 3.11Å; Y479-C482 VanDerWaalsContact O-SG 3.37Å; L480-C482 VanDerWaalsContact C-N 3.31Å; L480-C482 PolarHBondContact O-N 3.42Å; C482-R493 WeakPolarHBondContact O-CA 3.31Å; C482-L494 PolarHBondContact O-N 3.2Å; C482-M536 HydrophobicContact CB-CG 4.19Å; C482-M536 HydrophobicContact CB-SD 3.56Å; C482-M536 VanDerWaalsContact CB-SD 3.56Å
483N94.4Very high90.1Very high85 Ų8553.7 Ų53.746%0.45533%0.325SS..EExtended strand (participates in β ladder)trans-68.5140.2172.4-64.6-25.5000110.6G492 Q551N483-G492 CarbonylContact C-O 3.6Å; N483-G492 VanDerWaalsContact CA-O 3.29Å; N483-G492 WeakPolarHBondContact CA-O 3.36Å; N483-Q551 VanDerWaalsContact CB-OE1 3.31Å; N483-Q551 PolarHBondContact O-NE2 3.02Å
484V95.5Very high90.7Very high1 Ų149.9 Ų49.91%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-130.5153.2175.4-55.50000109.6V491 G492 L494 V506 V534 E535 M536V484-V491 CarbonylContact O-C 3.55Å; V484-V491 WeakPolarHBondContact O-CA 3.37Å; V484-G492 PolarHBondContact N-O 2.85Å; V484-G492 PolarHBondContact O-N 2.9Å; V484-L494 HydrophobicContact CG1-CB 4.45Å; V484-V506 HydrophobicContact CG2-CB 4.3Å; V484-V506 HydrophobicContact CG2-CG1 3.36Å; V484-V506 HydrophobicContact CG2-CG2 3.92Å; V484-V534 HydrophobicContact CB-CG1 3.65Å; V484-V534 HydrophobicContact CG1-CG1 4.36Å; V484-V534 HydrophobicContact CG2-CG1 3.67Å; V484-E535 CarbonylContact C-O 3.58Å; V484-E535 WeakPolarHBondContact CA-O 3.44Å; V484-M536 HydrophobicContact CG1-CB 3.77Å; V484-M536 HydrophobicContact CG1-CG 3.93Å; V484-M536 HydrophobicContact CG1-SD 4.28Å
485T95.7Very high91.1Very high70 Ų7052.1 Ų52.143%0.42929%0.292SS..EExtended strand (participates in β ladder)trans-120.8129.4179.5-49.20000109.3E490 V534 E535T485-E490 WeakPolarHBondContact CA-O 3.34Å; T485-V534 WeakPolarHBondContact O-CA 3.39Å; T485-E535 PolarHBondContact N-O 2.98Å; T485-E535 PolarHBondContact O-N 3.08Å
486L94.1Very high91.3Very high4 Ų449.6 Ų49.62%0.02128%0.282CS..EExtended strand (participates in β ladder)trans-81.4151.3172.9-82.463.8000109.6V455 T488 G489 E490 L508 T516 V532 R533 V534V455-L486 HydrophobicContact CG2-CD2 4.26Å; V455-L486 HydrophobicContact CG2-CG 4.42Å; L486-T488 PolarHBondContact O-N 3.17Å; L486-T488 VanDerWaalsContact O-N 3.08Å; L486-G489 PolarHBondContact O-N 3.06Å; L486-E490 HydrophobicContact CB-CB 4.39Å; L486-E490 HydrophobicContact CD2-CB 4.5Å; L486-E490 PolarHBondContact N-O 3.2Å; L486-L508 HydrophobicContact CD1-CD2 3.84Å; L486-L508 HydrophobicContact CD2-CD1 4.33Å; L486-L508 HydrophobicContact CD2-CD2 4.3Å; L486-T516 HydrophobicContact CD2-CG2 4.01Å; L486-V532 HydrophobicContact CB-CG1 4.39Å; L486-V532 HydrophobicContact CD2-CG1 4.09Å; L486-V532 HydrophobicContact CG-CG1 4.25Å; L486-R533 CarbonylContact C-O 3.58Å; L486-R533 VanDerWaalsContact CA-O 3.31Å; L486-R533 WeakPolarHBondContact CA-O 3.3Å; L486-V534 HydrophobicContact CD1-CG1 4.26Å; L486-V534 HydrophobicContact CD1-CG2 4.14Å; L486-V534 HydrophobicContact CG-CG2 4.12Å
487S92.6Very high91.2Very high78 Ų7852.2 Ų52.255%0.54530%0.302SS..THydrogen-bonded Turntrans-59.7-19.3175.454.90000113.3G489 R533S487-G489 VanDerWaalsContact C-N 3.33Å; S487-R533 PolarHBondContact N-O 3.31Å; S487-R533 PolarHBondContact OG-N 2.79Å
488T89.8Confident90.5Very high37 Ų3750.3 Ų50.323%0.22729%0.291CS..THydrogen-bonded Turntrans-86.50.5175.243.90000113.7L486 E490 K513 T516 V532L486-T488 PolarHBondContact O-N 3.17Å; L486-T488 VanDerWaalsContact O-N 3.08Å; T488-E490 WeakPolarHBondContact CB-OE2 3.47Å; T488-E490 PolarHBondContact OG1-OE2 2.81Å; T488-K513 PolarHBondContact O-NZ 3.09Å; T488-T516 WeakPolarHBondContact CB-OG1 3.4Å; T488-T516 HydrophobicContact CG2-CG2 4.17Å; T488-T516 WeakPolarHBondContact CG2-OG1 3.47Å; T488-T516 WeakPolarHBondContact OG1-CG2 3.32Å; T488-T516 PolarHBondContact OG1-OG1 3.44Å; T488-T516 VanDerWaalsContact OG1-OG1 3.06Å; T488-V532 HydrophobicContact CG2-CG2 4.37Å
489G90.9Very high89.7Confident46 Ų4650.6 Ų50.647%0.47430%0.304SS..SBendtrans94.4-3.2171.100000115.6L486 S487L486-G489 PolarHBondContact O-N 3.06Å; S487-G489 VanDerWaalsContact C-N 3.33Å
490E92.9Very high88.5Confident16 Ų1658.4 Ų58.48%0.07534%0.341CS..  trans-69.8142.5174.1-61.494.413800111.6T485 L486 T488 L508 K513 T516T485-E490 WeakPolarHBondContact CA-O 3.34Å; L486-E490 HydrophobicContact CB-CB 4.39Å; L486-E490 HydrophobicContact CD2-CB 4.5Å; L486-E490 PolarHBondContact N-O 3.2Å; T488-E490 WeakPolarHBondContact CB-OE2 3.47Å; T488-E490 PolarHBondContact OG1-OE2 2.81Å; E490-L508 HydrophobicContact CB-CD2 4.23Å; E490-K513 HydrophobicContact CG-CD 4.32Å; E490-K513 HydrophobicContact CG-CG 4.06Å; E490-K513 WeakPolarHBondContact OE1-CB 3.18Å; E490-K513 WeakPolarHBondContact OE1-CG 3.07Å; E490-K513 PolarHBondContact OE1-N 3.01Å; E490-T516 VanDerWaalsContact OE1-CB 3.32Å; E490-T516 WeakPolarHBondContact OE1-CB 3.45Å; E490-T516 PolarHBondContact OE1-OG1 3.03Å
491V93.5Very high87.7Confident82 Ų8257 Ų5750%0.49734%0.341SS..EExtended strand (participates in β ladder)trans-102.7123.6171.3-177.60000108.3V484 P509V484-V491 CarbonylContact O-C 3.55Å; V484-V491 WeakPolarHBondContact O-CA 3.37Å; V491-P509 WeakPolarHBondContact O-CD 3.13Å
492G93.9Very high87.1Confident2 Ų256.1 Ų56.12%0.02133%0.332CS..EExtended strand (participates in β ladder)trans-119.2-179.3175.500000112.3N483 V484 F507N483-G492 CarbonylContact C-O 3.6Å; N483-G492 VanDerWaalsContact CA-O 3.29Å; N483-G492 WeakPolarHBondContact CA-O 3.36Å; V484-G492 PolarHBondContact N-O 2.85Å; V484-G492 PolarHBondContact O-N 2.9Å; G492-F507 CarbonylContact C-O 3.58Å; G492-F507 WeakPolarHBondContact CA-O 3.35Å
493R94.7Very high87Confident141 Ų14158.1 Ų58.153%0.53234%0.338SS..EExtended strand (participates in β ladder)trans-130.7131.6176.6-163.1177.7-171.1-160-6.1110G481 C482 E495 V506 F507G481-R493 VanDerWaalsContact CA-NE 3.27Å; G481-R493 WeakPolarHBondContact O-CG 3.44Å; G481-R493 PolarHBondContact O-NE 2.86Å; C482-R493 WeakPolarHBondContact O-CA 3.31Å; R493-E495 PolarHBondContact O-N 2.82Å; R493-V506 CarbonylContact O-C 3.59Å; R493-V506 WeakPolarHBondContact O-CA 3.48Å; R493-F507 PolarHBondContact N-O 2.86Å; R493-F507 PolarHBondContact O-N 3.29Å
494L92.8Very high86.9Confident1 Ų154 Ų541%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-70.3124.1176.4-161.4123.6000109.4M469 F470 I476 Y479 L480 G481 C482 V484 V504M469-L494 HydrophobicContact SD-CD1 3.87Å; F470-L494 HydrophobicContact CE2-CD1 4.03Å; I476-L494 HydrophobicContact CG2-CD2 3.91Å; Y479-L494 WeakPolarHBondContact O-CD2 3.37Å; L480-L494 HydrophobicContact CD2-CD2 3.73Å; G481-L494 WeakPolarHBondContact CA-O 3.26Å; G481-L494 PolarHBondContact N-O 2.93Å; C482-L494 PolarHBondContact O-N 3.2Å; V484-L494 HydrophobicContact CG1-CB 4.45Å; L494-V504 HydrophobicContact CD1-CB 4.07Å; L494-V504 HydrophobicContact CD1-CG1 4.41Å; L494-V504 HydrophobicContact CD1-CG2 3.77Å; L494-V504 HydrophobicContact CG-CB 4.39Å
495E91.2Very high86.8Confident90 Ų9054.9 Ų54.942%0.42132%0.322SS..EExtended strand (participates in β ladder)trans-112.9-48.1-167.5-173.8-170.7-137.800113.1Y463 L480 R493 T505Y463-E495 WeakPolarHBondContact CE1-OE2 3.49Å; L480-E495 WeakPolarHBondContact CD2-O 3.47Å; R493-E495 PolarHBondContact O-N 2.82Å; E495-T505 PolarHBondContact N-O 2.81Å
496S88.1Confident86.8Confident44 Ų4451.5 Ų51.531%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-150.5162.5-174.558.40000112.4V504 T505S496-V504 CarbonylContact O-C 3.5Å; S496-V504 WeakPolarHBondContact O-CA 3.47Å; S496-T505 PolarHBondContact O-N 2.89Å; S496-T505 WeakPolarHBondContact OG-CB 3.4Å; S496-T505 PolarHBondContact OG-OG1 3.37Å
497S83.8Confident86.9Confident69 Ų6954.3 Ų54.348%0.48331%0.313SS..EExtended strand (participates in β ladder)trans-91.1144.8168.8700000110.6I476I476-S497 VanDerWaalsContact CD1-CB 3.46Å
498F71.7Confident87Confident101 Ų10150.6 Ų50.644%0.44329%0.288SS..EExtended strand (participates in β ladder)trans-112.392.8-179.7-164.3-87.4000110.1K503F498-K503 HydrophobicContact CB-CB 3.97Å; F498-K503 PolarHBondContact N-O 2.75Å
499G68.2Low87Confident61 Ų6152.9 Ų52.963%0.62930%0.303SS*.G310 helixtrans63.4-166.4179.600000114.5A501G499-A501 VanDerWaalsContact C-N 3.26Å; G499-A501 PolarHBondContact O-N 2.85Å
500Q63.4Low87Confident186 Ų18654.5 Ų54.587%0.86932%0.32SS*.G310 helixtrans-81.80.8-178.7-64.6-169.1-9.400114.3G502Q500-G502 VanDerWaalsContact C-N 3.3Å; Q500-G502 PolarHBondContact O-N 2.7Å
501A71.9Confident86.9Confident47 Ų4754.5 Ų54.539%0.38832%0.324SS..G310 helixtrans-80.9-2.9-173.300000114.5G499 K503G499-A501 VanDerWaalsContact C-N 3.26Å; G499-A501 PolarHBondContact O-N 2.85Å; A501-K503 VanDerWaalsContact C-N 3.27Å; A501-K503 HydrophobicContact CB-CG 4.28Å; A501-K503 PolarHBondContact O-N 2.82Å
502G78.8Confident86.7Confident4 Ų451.1 Ų51.14%0.04131%0.305CS..THydrogen-bonded Turntrans76.412.4-175.700000114.2Q500Q500-G502 VanDerWaalsContact C-N 3.3Å; Q500-G502 PolarHBondContact O-N 2.7Å
503K89.9Confident86.6Confident55 Ų5555.9 Ų55.924%0.23933%0.325CS..EExtended strand (participates in β ladder)trans-77.7148.9173-65-177.2-177.6-167.90109.9E456 T465 V466 R467 F498 A501E456-K503 IonicContact OE1-NZ 2.69Å; E456-K503 PolarHBondContact OE1-NZ 2.94Å; E456-K503 WeakPolarHBondContact OE2-CD 3.38Å; E456-K503 WeakPolarHBondContact OE2-CE 3.46Å; E456-K503 IonicContact OE2-NZ 3.33Å; E456-K503 PolarHBondContact OE2-NZ 2.78Å; T465-K503 HydrophobicContact CG2-CD 4.4Å; V466-K503 WeakPolarHBondContact O-CA 3.23Å; R467-K503 HydrophobicContact CB-CG 4.34Å; F498-K503 HydrophobicContact CB-CB 3.97Å; F498-K503 PolarHBondContact N-O 2.75Å; A501-K503 VanDerWaalsContact C-N 3.27Å; A501-K503 HydrophobicContact CB-CG 4.28Å; A501-K503 PolarHBondContact O-N 2.82Å
504V92.4Very high86.2Confident0 Ų055.9 Ų55.90%033%0.331CS..EExtended strand (participates in β ladder)trans-133.9151.1-178.6-66.10000110.9V466 M469 F470 I476 L494 S496V466-V504 HydrophobicContact CB-CG2 3.89Å; V466-V504 HydrophobicContact CG1-CG2 4.41Å; V466-V504 PolarHBondContact N-O 3.48Å; V466-V504 PolarHBondContact O-N 3.26Å; M469-V504 HydrophobicContact SD-CG2 4.37Å; F470-V504 HydrophobicContact CD2-CG1 3.61Å; F470-V504 HydrophobicContact CD2-CG2 4.41Å; F470-V504 HydrophobicContact CE2-CG1 3.77Å; F470-V504 HydrophobicContact CE2-CG2 4.34Å; I476-V504 HydrophobicContact CD1-CG1 3.87Å; I476-V504 HydrophobicContact CG1-CG1 4.31Å; I476-V504 HydrophobicContact CG2-CG1 3.88Å; L494-V504 HydrophobicContact CD1-CB 4.07Å; L494-V504 HydrophobicContact CD1-CG1 4.41Å; L494-V504 HydrophobicContact CD1-CG2 3.77Å; L494-V504 HydrophobicContact CG-CB 4.39Å; S496-V504 CarbonylContact O-C 3.5Å; S496-V504 WeakPolarHBondContact O-CA 3.47Å
505T93.3Very high85.9Confident18 Ų1859 Ų5911%0.1135%0.353CS..EExtended strand (participates in β ladder)trans-97.3131.4174.6-48.40000109Y463 A464 E495 S496Y463-T505 HydrophobicContact CD1-CG2 3.93Å; A464-T505 WeakPolarHBondContact O-CA 3.32Å; E495-T505 PolarHBondContact N-O 2.81Å; S496-T505 PolarHBondContact O-N 2.89Å; S496-T505 WeakPolarHBondContact OG-CB 3.4Å; S496-T505 PolarHBondContact OG-OG1 3.37Å
506V94.7Very high85.7Confident0 Ų054.7 Ų54.70%033%0.333CS..EExtended strand (participates in β ladder)trans-113.6122.9174.5172.20000108.6Y463 A464 V466 V484 R493 L508Y463-V506 CarbonylContact C-O 3.54Å; Y463-V506 WeakPolarHBondContact CA-O 3.36Å; A464-V506 HydrophobicContact CB-CB 4.36Å; A464-V506 PolarHBondContact N-O 3.12Å; A464-V506 PolarHBondContact O-N 3.46Å; V466-V506 HydrophobicContact CB-CG2 4.5Å; V466-V506 HydrophobicContact CG2-CB 4.23Å; V466-V506 HydrophobicContact CG2-CG2 3.63Å; V484-V506 HydrophobicContact CG2-CB 4.3Å; V484-V506 HydrophobicContact CG2-CG1 3.36Å; V484-V506 HydrophobicContact CG2-CG2 3.92Å; R493-V506 CarbonylContact O-C 3.59Å; R493-V506 WeakPolarHBondContact O-CA 3.48Å; V506-L508 HydrophobicContact CG1-CD2 4.18Å
507F95.6Very high85.6Confident62 Ų6255.2 Ų55.227%0.27233%0.331SS..EExtended strand (participates in β ladder)trans-84.4130.3171.9175.9-116.3000110.4K462 Y463 G492 R493 P509K462-F507 HydrophobicContact CB-CD2 4.41Å; K462-F507 HydrophobicContact CB-CE2 4.15Å; K462-F507 HydrophobicContact CD-CE2 4.43Å; K462-F507 CarbonylContact O-C 3.53Å; K462-F507 WeakPolarHBondContact O-CA 3.5Å; Y463-F507 HydrophobicContact CD1-CB 4.39Å; Y463-F507 HydrophobicContact CD1-CD2 4.11Å; Y463-F507 HydrophobicContact CE1-CB 4.18Å; Y463-F507 AromaticContact CE1-CD2 3.56Å; Y463-F507 HydrophobicContact CE1-CD2 3.56Å; Y463-F507 HydrophobicContact CE1-CE2 4.4Å; Y463-F507 HydrophobicContact CE1-CG 4.27Å; Y463-F507 HydrophobicContact CE2-CD2 4.4Å; Y463-F507 AromaticContact CZ-CD2 3.74Å; G492-F507 CarbonylContact C-O 3.58Å; G492-F507 WeakPolarHBondContact CA-O 3.35Å; R493-F507 PolarHBondContact N-O 2.86Å; R493-F507 PolarHBondContact O-N 3.29Å; F507-P509 HydrophobicContact CE1-CB 3.85Å; F507-P509 HydrophobicContact CZ-CB 4.34Å; F507-P509 WeakPolarHBondContact O-CD 3.44Å
508L94.7Very high85.7Confident1 Ų158 Ų581%0.00534%0.335CS..  trans-110.996.7179.2-62.9172.1000108.3K462 A464 L486 E490 V506 G510 G511 A512K462-L508 PolarHBondContact O-N 3.24Å; A464-L508 HydrophobicContact CB-CD1 4.35Å; L486-L508 HydrophobicContact CD1-CD2 3.84Å; L486-L508 HydrophobicContact CD2-CD1 4.33Å; L486-L508 HydrophobicContact CD2-CD2 4.3Å; E490-L508 HydrophobicContact CB-CD2 4.23Å; V506-L508 HydrophobicContact CG1-CD2 4.18Å; L508-G510 VanDerWaalsContact C-N 3.27Å; L508-G510 PolarHBondContact O-N 3.48Å; L508-G511 PolarHBondContact O-N 3.43Å; L508-A512 HydrophobicContact CD1-CB 3.83Å
509P91.7Very high86.3Confident85 Ų8555.8 Ų55.855%0.55233%0.329SS*.THydrogen-bonded Turntrans-60.9-34-173.820.2-31000113.5V491 F507 G511V491-P509 WeakPolarHBondContact O-CD 3.13Å; F507-P509 HydrophobicContact CE1-CB 3.85Å; F507-P509 HydrophobicContact CZ-CB 4.34Å; F507-P509 WeakPolarHBondContact O-CD 3.44Å; P509-G511 VanDerWaalsContact C-N 3.34Å
510G89.4Confident87.2Confident80 Ų8053.8 Ų53.883%0.82531%0.305SS*.THydrogen-bonded Turntrans-86.62.5175.600000115L508L508-G510 VanDerWaalsContact C-N 3.27Å; L508-G510 PolarHBondContact O-N 3.48Å
511G90.8Very high88.1Confident16 Ų1649.1 Ų49.117%0.16530%0.298CS..  trans72.1159.7-168.500000113.3E461 L508 P509E461-G511 CarbonylContact O-C 3.56Å; E461-G511 WeakPolarHBondContact O-CA 3.27Å; L508-G511 PolarHBondContact O-N 3.43Å; P509-G511 VanDerWaalsContact C-N 3.34Å
512A90.2Very high88.5Confident11 Ų1155.3 Ų55.39%0.09132%0.316CS..  trans-74.2135.717300000110.3I458 E461 L508 I517I458-A512 HydrophobicContact CD1-CB 3.86Å; I458-A512 HydrophobicContact CG2-CB 4.14Å; E461-A512 PolarHBondContact O-N 3.37Å; L508-A512 HydrophobicContact CD1-CB 3.83Å; A512-I517 HydrophobicContact CB-CD1 4.27Å; A512-I517 HydrophobicContact CB-CG1 3.92Å
513K91Very high88.3Confident101 Ų10156.7 Ų56.744%0.43932%0.322SS..  trans-62.1149.3173.7-64.2171.9-176.5172.70109.8T488 E490 S515 T516 I517T488-K513 PolarHBondContact O-NZ 3.09Å; E490-K513 HydrophobicContact CG-CD 4.32Å; E490-K513 HydrophobicContact CG-CG 4.06Å; E490-K513 WeakPolarHBondContact OE1-CB 3.18Å; E490-K513 WeakPolarHBondContact OE1-CG 3.07Å; E490-K513 PolarHBondContact OE1-N 3.01Å; K513-S515 PolarHBondContact O-N 3.12Å; K513-T516 WeakPolarHBondContact O-CA 3.3Å; K513-T516 VanDerWaalsContact O-CB 3.27Å; K513-T516 WeakPolarHBondContact O-CB 3.46Å; K513-T516 PolarHBondContact O-N 3.13Å; K513-I517 PolarHBondContact O-N 2.89Å
514Q86.2Confident87.2Confident142 Ų14259 Ų5966%0.66434%0.337SS*.Hα-helixtrans-57.7-34.2175.7-74.9-166.44.900113T516 I517 K518Q514-T516 VanDerWaalsContact C-N 3.32Å; Q514-I517 PolarHBondContact O-N 3.08Å; Q514-K518 WeakPolarHBondContact O-CB 3.29Å; Q514-K518 VanDerWaalsContact O-CG 3.3Å; Q514-K518 WeakPolarHBondContact O-CG 3.03Å; Q514-K518 PolarHBondContact O-N 3.33Å
515S86.2Confident85.8Confident66 Ų6666.5 Ų66.546%0.46237%0.369SS..Hα-helixtrans-59-46.4173.950.10000110.8K513 K518 T519K513-S515 PolarHBondContact O-N 3.12Å; S515-K518 PolarHBondContact O-N 3.44Å; S515-T519 WeakPolarHBondContact O-CB 3.49Å; S515-T519 PolarHBondContact O-N 3.49Å; S515-T519 PolarHBondContact O-OG1 2.89Å
516T87.7Confident84.3Confident0 Ų072.8 Ų72.80%040%0.403CS..Hα-helixtrans-61.2-45.9178.2-47.20000111.9I458 L486 T488 E490 K513 Q514 K518 T519 V520 V532I458-T516 HydrophobicContact CD1-CG2 4.05Å; L486-T516 HydrophobicContact CD2-CG2 4.01Å; T488-T516 WeakPolarHBondContact CB-OG1 3.4Å; T488-T516 HydrophobicContact CG2-CG2 4.17Å; T488-T516 WeakPolarHBondContact CG2-OG1 3.47Å; T488-T516 WeakPolarHBondContact OG1-CG2 3.32Å; T488-T516 PolarHBondContact OG1-OG1 3.44Å; T488-T516 VanDerWaalsContact OG1-OG1 3.06Å; E490-T516 VanDerWaalsContact OE1-CB 3.32Å; E490-T516 WeakPolarHBondContact OE1-CB 3.45Å; E490-T516 PolarHBondContact OE1-OG1 3.03Å; K513-T516 WeakPolarHBondContact O-CA 3.3Å; K513-T516 VanDerWaalsContact O-CB 3.27Å; K513-T516 WeakPolarHBondContact O-CB 3.46Å; K513-T516 PolarHBondContact O-N 3.13Å; Q514-T516 VanDerWaalsContact C-N 3.32Å; T516-K518 PolarHBondContact O-N 2.94Å; T516-T519 PolarHBondContact O-N 3.32Å; T516-V520 VanDerWaalsContact O-CG2 3.3Å; T516-V520 WeakPolarHBondContact O-CG2 3.44Å; T516-V520 PolarHBondContact O-N 3.41Å; T516-V532 HydrophobicContact CG2-CG1 3.95Å; T516-V532 HydrophobicContact CG2-CG2 4.2Å
517I86.8Confident83.1Confident54 Ų5476.3 Ų76.328%0.27742%0.421SS..Hα-helixtrans-61.5-45.8177.5-61.3170000110.7I458 E461 A512 K513 Q514 T519 V520 A521I458-I517 HydrophobicContact CD1-CG1 4.14Å; E461-I517 HydrophobicContact CG-CD1 3.99Å; A512-I517 HydrophobicContact CB-CD1 4.27Å; A512-I517 HydrophobicContact CB-CG1 3.92Å; K513-I517 PolarHBondContact O-N 2.89Å; Q514-I517 PolarHBondContact O-N 3.08Å; I517-T519 PolarHBondContact O-N 3.06Å; I517-V520 PolarHBondContact O-N 2.94Å; I517-A521 WeakPolarHBondContact O-CB 3.48Å; I517-A521 PolarHBondContact O-N 2.89Å
518K85.5Confident81.7Confident129 Ų12980.1 Ų80.156%0.56144%0.44SS*.Hα-helixtrans-62.1-42.7177.3-74.2175.2-177.5176.60111.8Q514 S515 T516 A521 K522Q514-K518 WeakPolarHBondContact O-CB 3.29Å; Q514-K518 VanDerWaalsContact O-CG 3.3Å; Q514-K518 WeakPolarHBondContact O-CG 3.03Å; Q514-K518 PolarHBondContact O-N 3.33Å; S515-K518 PolarHBondContact O-N 3.44Å; T516-K518 PolarHBondContact O-N 2.94Å; K518-A521 PolarHBondContact O-N 2.88Å; K518-K522 WeakPolarHBondContact O-CB 3.39Å; K518-K522 WeakPolarHBondContact O-CG 3.33Å; K518-K522 PolarHBondContact O-N 3.38Å; K518-K522 VanDerWaalsContact O-N 3.13Å
519T85.1Confident80.5Confident53 Ų5386.8 Ų86.833%0.32548%0.476SS..Hα-helixtrans-63.3-49.6177.2-56.90000110.3S515 T516 I517 A521 K522 Q523 D530 V532S515-T519 WeakPolarHBondContact O-CB 3.49Å; S515-T519 PolarHBondContact O-N 3.49Å; S515-T519 PolarHBondContact O-OG1 2.89Å; T516-T519 PolarHBondContact O-N 3.32Å; I517-T519 PolarHBondContact O-N 3.06Å; T519-A521 VanDerWaalsContact C-N 3.31Å; T519-A521 PolarHBondContact O-N 2.56Å; T519-K522 CarbonylContact O-C 3.36Å; T519-K522 PolarHBondContact O-N 2.51Å; T519-K522 VanDerWaalsContact O-N 3.12Å; T519-Q523 WeakPolarHBondContact O-CG 3.39Å; T519-Q523 PolarHBondContact O-N 2.86Å; T519-D530 WeakPolarHBondContact CG2-O 3.36Å; T519-V532 HydrophobicContact CG2-CG2 3.72Å
520V86.1Confident79.9Confident19 Ų1986.2 Ų86.212%0.11547%0.468CS..Hα-helixtrans-59.3-39.3177.9175.30000112.2V455 I458 T516 I517 K522 Q523 V532V455-V520 HydrophobicContact CB-CG2 4.13Å; V455-V520 HydrophobicContact CG1-CG1 4.25Å; V455-V520 HydrophobicContact CG1-CG2 3.77Å; I458-V520 HydrophobicContact CD1-CB 4.34Å; I458-V520 HydrophobicContact CD1-CG2 3.89Å; I458-V520 HydrophobicContact CG1-CG1 4.5Å; I458-V520 HydrophobicContact CG1-CG2 4.36Å; T516-V520 VanDerWaalsContact O-CG2 3.3Å; T516-V520 WeakPolarHBondContact O-CG2 3.44Å; T516-V520 PolarHBondContact O-N 3.41Å; I517-V520 PolarHBondContact O-N 2.94Å; V520-K522 VanDerWaalsContact C-N 3.31Å; V520-K522 PolarHBondContact O-N 2.83Å; V520-Q523 PolarHBondContact O-N 2.81Å; V520-V532 HydrophobicContact CG2-CB 4.05Å; V520-V532 HydrophobicContact CG2-CG2 3.78Å
521A82.9Confident79.7Confident89 Ų8983.5 Ų83.574%0.73643%0.434SS*.Hα-helixtrans-69-28.8178.400000113.5I517 K518 T519I517-A521 WeakPolarHBondContact O-CB 3.48Å; I517-A521 PolarHBondContact O-N 2.89Å; K518-A521 PolarHBondContact O-N 2.88Å; T519-A521 VanDerWaalsContact C-N 3.31Å; T519-A521 PolarHBondContact O-N 2.56Å
522K80.4Confident79.7Confident176 Ų17682.8 Ų82.877%0.76543%0.427SS*.Hα-helixtrans-92.9-3.6179.1-70.3-176.8178.2-172.40113.8K518 T519 V520 N524K518-K522 WeakPolarHBondContact O-CB 3.39Å; K518-K522 WeakPolarHBondContact O-CG 3.33Å; K518-K522 PolarHBondContact O-N 3.38Å; K518-K522 VanDerWaalsContact O-N 3.13Å; T519-K522 CarbonylContact O-C 3.36Å; T519-K522 PolarHBondContact O-N 2.51Å; T519-K522 VanDerWaalsContact O-N 3.12Å; V520-K522 VanDerWaalsContact C-N 3.31Å; V520-K522 PolarHBondContact O-N 2.83Å; K522-N524 PolarHBondContact O-N 2.79Å; K522-N524 VanDerWaalsContact O-N 3.08Å
523Q73.3Confident79.8Confident34 Ų3487.7 Ų87.716%0.15944%0.443CS..  trans-60.1115.8-175.8-89.8171.530.400111.4V455 T519 V520 D530 L531V455-Q523 PolarHBondContact O-OE1 2.8Å; T519-Q523 WeakPolarHBondContact O-CG 3.39Å; T519-Q523 PolarHBondContact O-N 2.86Å; V520-Q523 PolarHBondContact O-N 2.81Å; Q523-D530 WeakPolarHBondContact CG-O 3.46Å; Q523-L531 HydrophobicContact CB-CD2 4.35Å; Q523-L531 HydrophobicContact CG-CD2 3.98Å
524N67.2Low79.9Confident104 Ų10482.9 Ų82.956%0.55642%0.422SS*.  trans-83.9123166.3-155.5-11.7000108.2K522 N526 N527K522-N524 PolarHBondContact O-N 2.79Å; K522-N524 VanDerWaalsContact O-N 3.08Å; N524-N526 PolarHBondContact O-N 3.16Å; N524-N527 HydrophobicContact CB-CB 4.46Å; N524-N527 PolarHBondContact O-N 2.82Å
525K63.9Low80.4Confident156 Ų15677.8 Ų77.868%0.67840%0.398SS*.THydrogen-bonded Turntrans-58.6-16.4-174.9-73.9-178.6179.6174.70113.7
526N60.6Low80.7Confident151 Ų15174.7 Ų74.781%0.80738%0.376SS*.THydrogen-bonded Turntrans-97.8-5.2-178.1-65-8.8000114.5N524N524-N526 PolarHBondContact O-N 3.16Å
527N69.4Low80.9Confident74 Ų7482.9 Ų82.940%0.39641%0.408SS..  trans-113.4107-179.2-15818.3000110.8N524 D529 D530N524-N527 HydrophobicContact CB-CB 4.46Å; N524-N527 PolarHBondContact O-N 2.82Å; N527-D529 VanDerWaalsContact C-N 3.29Å; N527-D529 PolarHBondContact O-N 2.79Å; N527-D530 PolarHBondContact ND2-OD2 2.76Å; N527-D530 PolarHBondContact O-N 3.41Å
528E66.3Low81Confident141 Ų14180.9 Ų80.966%0.65940%0.397SS*.G310 helixtrans-68.3-23-171.5-78.7-161.6158.900114.7R533E528-R533 PolarHBondContact O-NH2 3.17Å
529D70.2Confident81.2Confident142 Ų14276.3 Ų76.376%0.75938%0.377SS*.G310 helixtrans-77.8-23.4-177-74.2-23.4000112.9N527 L531N527-D529 VanDerWaalsContact C-N 3.29Å; N527-D529 PolarHBondContact O-N 2.79Å; D529-L531 VanDerWaalsContact C-N 3.3Å; D529-L531 PolarHBondContact O-N 2.85Å
530D78.1Confident81.2Confident72 Ų7279.4 Ų79.439%0.38538%0.383SS..G310 helixtrans-86.1-2.9179.9-66.7-38.9000113T519 Q523 N527T519-D530 WeakPolarHBondContact CG2-O 3.36Å; Q523-D530 WeakPolarHBondContact CG-O 3.46Å; N527-D530 PolarHBondContact ND2-OD2 2.76Å; N527-D530 PolarHBondContact O-N 3.41Å
531L86.4Confident81.3Confident23 Ų2379.6 Ų79.612%0.1238%0.383CS..  trans-80.7127.5-173.6-60.9179.9000112.1V454 Q523 D529 R533V454-L531 HydrophobicContact CG1-CB 3.93Å; V454-L531 HydrophobicContact CG1-CD1 4.21Å; V454-L531 HydrophobicContact CG1-CD2 4.02Å; V454-L531 HydrophobicContact CG1-CG 4.27Å; V454-L531 HydrophobicContact CG2-CD1 4.21Å; Q523-L531 HydrophobicContact CB-CD2 4.35Å; Q523-L531 HydrophobicContact CG-CD2 3.98Å; D529-L531 VanDerWaalsContact C-N 3.3Å; D529-L531 PolarHBondContact O-N 2.85Å; L531-R533 PolarHBondContact O-N 2.87Å
532V89.7Confident81.4Confident2 Ų277.2 Ų77.21%0.01236%0.359CS..  trans-74.6108.9168.7177.60000108.3V455 L486 T488 T516 T519 V520V455-V532 HydrophobicContact CB-CB 4.18Å; V455-V532 HydrophobicContact CB-CG1 4.24Å; V455-V532 HydrophobicContact CG2-CB 4.15Å; V455-V532 HydrophobicContact CG2-CG1 3.68Å; V455-V532 PolarHBondContact N-O 2.74Å; L486-V532 HydrophobicContact CB-CG1 4.39Å; L486-V532 HydrophobicContact CD2-CG1 4.09Å; L486-V532 HydrophobicContact CG-CG1 4.25Å; T488-V532 HydrophobicContact CG2-CG2 4.37Å; T516-V532 HydrophobicContact CG2-CG1 3.95Å; T516-V532 HydrophobicContact CG2-CG2 4.2Å; T519-V532 HydrophobicContact CG2-CG2 3.72Å; V520-V532 HydrophobicContact CG2-CB 4.05Å; V520-V532 HydrophobicContact CG2-CG2 3.78Å
533R92.9Very high81.5Confident113 Ų11369.5 Ų69.543%0.42633%0.325SS..EExtended strand (participates in β ladder)trans-89.3146-177.8-61.5179.1-174.1179.1-0.1110.1G453 L486 S487 E528 L531G453-R533 CarbonylContact O-C 3.53Å; G453-R533 WeakPolarHBondContact O-CA 3.42Å; L486-R533 CarbonylContact C-O 3.58Å; L486-R533 VanDerWaalsContact CA-O 3.31Å; L486-R533 WeakPolarHBondContact CA-O 3.3Å; S487-R533 PolarHBondContact N-O 3.31Å; S487-R533 PolarHBondContact OG-N 2.79Å; E528-R533 PolarHBondContact O-NH2 3.17Å; L531-R533 PolarHBondContact O-N 2.87Å
534V94Very high81.6Confident0 Ų068.9 Ų68.90%033%0.325CS..EExtended strand (participates in β ladder)trans-117.3125.2174-172.60000108.3R452 G453 V455 V466 M469 V484 T485 L486R452-V534 CarbonylContact C-O 3.59Å; R452-V534 VanDerWaalsContact CA-O 3.27Å; R452-V534 WeakPolarHBondContact CA-O 3.4Å; G453-V534 PolarHBondContact N-O 3.01Å; G453-V534 PolarHBondContact O-N 2.99Å; V455-V534 HydrophobicContact CG2-CG2 3.42Å; V455-V534 VanDerWaalsContact CG2-CG2 3.42Å; V466-V534 HydrophobicContact CG1-CB 4.1Å; V466-V534 HydrophobicContact CG1-CG2 4Å; V466-V534 HydrophobicContact CG2-CB 4.44Å; V466-V534 HydrophobicContact CG2-CG2 3.75Å; M469-V534 HydrophobicContact CE-CB 3.8Å; M469-V534 HydrophobicContact CE-CG1 3.6Å; V484-V534 HydrophobicContact CB-CG1 3.65Å; V484-V534 HydrophobicContact CG1-CG1 4.36Å; V484-V534 HydrophobicContact CG2-CG1 3.67Å; T485-V534 WeakPolarHBondContact O-CA 3.39Å; L486-V534 HydrophobicContact CD1-CG1 4.26Å; L486-V534 HydrophobicContact CD1-CG2 4.14Å; L486-V534 HydrophobicContact CG-CG2 4.12Å
535E95Very high81.3Confident36 Ų3668.7 Ų68.717%0.16832%0.324CS..EExtended strand (participates in β ladder)trans-112.8127177.8-169166.9118.500110.6V450 R452 V484 T485 R537V450-E535 HydrophobicContact CG1-CG 3.28Å; R452-E535 HydrophobicContact CG-CG 4.3Å; R452-E535 IonicContact CZ-OE2 3.17Å; R452-E535 IonicContact NE-OE2 3.79Å; R452-E535 PolarHBondContact NE-OE2 3.4Å; R452-E535 IonicContact NH2-OE2 2.72Å; R452-E535 PolarHBondContact NH2-OE2 2.75Å; R452-E535 VanDerWaalsContact NH2-OE2 3.08Å; V484-E535 CarbonylContact C-O 3.58Å; V484-E535 WeakPolarHBondContact CA-O 3.44Å; T485-E535 PolarHBondContact N-O 2.98Å; T485-E535 PolarHBondContact O-N 3.08Å; E535-R537 HydrophobicContact CG-CG 4.33Å; E535-R537 IonicContact OE1-CZ 2.83Å; E535-R537 IonicContact OE1-NE 3.63Å; E535-R537 PolarHBondContact OE1-NE 2.98Å; E535-R537 IonicContact OE1-NH2 3.81Å; E535-R537 PolarHBondContact OE1-NH2 3.2Å
536M93.6Very high81.1Confident0 Ų065.4 Ų65.40%031%0.314CS..EExtended strand (participates in β ladder)trans-112.5110.3170.7-173.7177.960.600108.6V450 R451 M469 F470 Y479 C482 V484 F538V450-M536 WeakPolarHBondContact CA-O 2.96Å; R451-M536 HydrophobicContact CB-CB 4.45Å; R451-M536 HydrophobicContact CB-CE 4.02Å; R451-M536 HydrophobicContact CG-CE 4.38Å; R451-M536 PolarHBondContact N-O 2.78Å; R451-M536 PolarHBondContact O-N 3.49Å; M469-M536 HydrophobicContact CE-CB 4.48Å; M469-M536 HydrophobicContact SD-CB 4.42Å; F470-M536 HydrophobicContact CZ-CE 3.93Å; Y479-M536 HydrophobicContact CD1-CE 3.33Å; Y479-M536 HydrophobicContact CD1-SD 4.27Å; Y479-M536 HydrophobicContact CE1-CE 4.01Å; Y479-M536 HydrophobicContact CG-CE 4.03Å; C482-M536 HydrophobicContact CB-CG 4.19Å; C482-M536 HydrophobicContact CB-SD 3.56Å; C482-M536 VanDerWaalsContact CB-SD 3.56Å; V484-M536 HydrophobicContact CG1-CB 3.77Å; V484-M536 HydrophobicContact CG1-CG 3.93Å; V484-M536 HydrophobicContact CG1-SD 4.28Å; M536-F538 HydrophobicContact CE-CD1 4.02Å; M536-F538 HydrophobicContact CE-CE1 4.07Å; M536-F538 HydrophobicContact CG-CD1 4.41Å
537R91.6Very high81Confident173 Ų17360.2 Ų60.265%0.65329%0.292SS*.EExtended strand (participates in β ladder)trans-91.1135.9172.1-61.9-172.6176.5-179.51.8109.4R449 V450 E535 Q551R449-R537 WeakPolarHBondContact O-CA 3.27Å; V450-R537 HydrophobicContact CG2-CG 4.23Å; E535-R537 HydrophobicContact CG-CG 4.33Å; E535-R537 IonicContact OE1-CZ 2.83Å; E535-R537 IonicContact OE1-NE 3.63Å; E535-R537 PolarHBondContact OE1-NE 2.98Å; E535-R537 IonicContact OE1-NH2 3.81Å; E535-R537 PolarHBondContact OE1-NH2 3.2Å; R537-Q551 PolarHBondContact O-NE2 3.43Å
538F89.6Confident80.8Confident12 Ų1262.4 Ų62.45%0.05330%0.298CS..EExtended strand (participates in β ladder)trans-156158.2178.766.7-86.9000111.9R449 R451 Y479 M536 R540 I549 Q551R449-F538 HydrophobicContact CB-CD1 4.17Å; R449-F538 HydrophobicContact CB-CD2 3.9Å; R449-F538 HydrophobicContact CB-CE1 3.73Å; R449-F538 HydrophobicContact CB-CE2 3.48Å; R449-F538 VanDerWaalsContact CB-CE2 3.48Å; R449-F538 HydrophobicContact CB-CG 4.25Å; R449-F538 HydrophobicContact CB-CZ 3.38Å; R449-F538 HydrophobicContact CG-CE2 3.96Å; R449-F538 HydrophobicContact CG-CZ 4.13Å; R449-F538 PolarHBondContact N-O 2.91Å; R449-F538 PolarHBondContact O-N 2.91Å; R449-F538 VanDerWaalsContact O-O 3.12Å; R451-F538 HydrophobicContact CB-CE1 4.27Å; R451-F538 HydrophobicContact CG-CE1 3.86Å; R451-F538 HydrophobicContact CG-CZ 4.37Å; Y479-F538 HydrophobicContact CE1-CE1 4.08Å; Y479-F538 AromaticContact CE1-CE2 3.98Å; Y479-F538 HydrophobicContact CE1-CE2 3.98Å; Y479-F538 AromaticContact CE1-CZ 3.73Å; Y479-F538 HydrophobicContact CE1-CZ 3.73Å; M536-F538 HydrophobicContact CE-CD1 4.02Å; M536-F538 HydrophobicContact CE-CE1 4.07Å; M536-F538 HydrophobicContact CG-CD1 4.41Å; F538-R540 HydrophobicContact CE2-CB 4.37Å; F538-I549 HydrophobicContact CB-CG2 3.47Å; F538-I549 VanDerWaalsContact CB-CG2 3.47Å; F538-I549 HydrophobicContact CD2-CB 4.17Å; F538-I549 HydrophobicContact CD2-CD1 4.41Å; F538-I549 HydrophobicContact CD2-CG1 3.78Å; F538-I549 HydrophobicContact CD2-CG2 3.31Å; F538-I549 HydrophobicContact CE2-CD1 4.23Å; F538-I549 HydrophobicContact CE2-CG1 3.92Å; F538-I549 HydrophobicContact CE2-CG2 4.21Å; F538-I549 HydrophobicContact CG-CG2 3.6Å; F538-Q551 HydrophobicContact CB-CG 4.4Å
539K88.5Confident81.2Confident32 Ų3256.9 Ų56.914%0.13927%0.272CS..EExtended strand (participates in β ladder)trans-101.8124.5177.4-66.1176.8174.3179.90108.4E348 E366 Y446 I549 F550E348-K539 IonicContact OE1-NZ 2.7Å; E348-K539 PolarHBondContact OE1-NZ 3.46Å; E366-K539 IonicContact OE2-NZ 3.64Å; E366-K539 PolarHBondContact OE2-NZ 2.77Å; Y446-K539 HydrophobicContact CD1-CD 3.98Å; Y446-K539 HydrophobicContact CD2-CB 3.91Å; Y446-K539 HydrophobicContact CD2-CD 3.87Å; Y446-K539 HydrophobicContact CD2-CG 3.58Å; Y446-K539 HydrophobicContact CE1-CD 3.98Å; Y446-K539 HydrophobicContact CE2-CD 3.91Å; Y446-K539 HydrophobicContact CE2-CG 3.89Å; Y446-K539 HydrophobicContact CG-CB 3.91Å; Y446-K539 HydrophobicContact CG-CD 3.91Å; Y446-K539 HydrophobicContact CG-CG 3.94Å; K539-I549 WeakPolarHBondContact O-CA 3.36Å; K539-F550 HydrophobicContact CB-CD1 3.89Å; K539-F550 HydrophobicContact CB-CD2 4.19Å; K539-F550 HydrophobicContact CB-CE1 3.55Å; K539-F550 HydrophobicContact CB-CE2 3.92Å; K539-F550 HydrophobicContact CB-CG 4.2Å; K539-F550 HydrophobicContact CB-CZ 3.59Å; K539-F550 WeakPolarHBondContact CB-O 3.39Å; K539-F550 HydrophobicContact CD-CD2 3.92Å; K539-F550 HydrophobicContact CD-CE1 4.39Å; K539-F550 HydrophobicContact CD-CE2 3.28Å; K539-F550 HydrophobicContact CD-CZ 3.56Å; K539-F550 HydrophobicContact CG-CE2 4.23Å; K539-F550 HydrophobicContact CG-CZ 4.22Å; K539-F550 PolarHBondContact N-O 3.06Å; K539-F550 PolarHBondContact O-N 2.86Å; K539-F550 VanDerWaalsContact O-N 3.11Å
540R86.3Confident81.8Confident119 Ų11952.5 Ų52.545%0.44925%0.247SC..EExtended strand (participates in β ladder)trans-105.3120.7173.6-178.7175.9174.8177.51.7110.1Y446 K447 R449 F538Y446-R540 CarbonylContact C-O 3.46Å; Y446-R540 VanDerWaalsContact CA-O 3.3Å; Y446-R540 WeakPolarHBondContact CA-O 3.43Å; K447-R540 PolarHBondContact N-O 2.64Å; K447-R540 PolarHBondContact O-N 2.73Å; R449-R540 HydrophobicContact CG-CB 4.31Å; F538-R540 HydrophobicContact CE2-CB 4.37Å
541L87Confident81.9Confident22 Ų2254.2 Ų54.212%0.11525%0.252CS..EExtended strand (participates in β ladder)trans-64.1140.5175.6-66.6177.1000111.6K444 V445 C544 K548 F550K444-L541 HydrophobicContact CB-CD2 4.03Å; K444-L541 HydrophobicContact CG-CD2 4.5Å; V445-L541 CarbonylContact O-C 3.57Å; V445-L541 WeakPolarHBondContact O-CA 3.28Å; L541-C544 HydrophobicContact CB-CB 4.05Å; L541-C544 HydrophobicContact CD1-CB 4.29Å; L541-K548 HydrophobicContact CD1-CB 4.16Å; L541-K548 PolarHBondContact N-O 2.75Å; L541-F550 HydrophobicContact CD1-CE1 4.43Å; L541-F550 HydrophobicContact CD2-CD1 4.45Å; L541-F550 HydrophobicContact CD2-CE1 3.51Å; L541-F550 HydrophobicContact CD2-CZ 4.15Å; L541-F550 HydrophobicContact CG-CD1 4.24Å; L541-F550 HydrophobicContact CG-CE1 3.74Å
542V86.2Confident81.7Confident39 Ų3955.8 Ų55.824%0.23626%0.259CS..SBendtrans-95.9-32.8-173.5-176.80000112.7W369 V445 K447W369-V542 HydrophobicContact CB-CG2 4.35Å; W369-V542 HydrophobicContact CD2-CG2 4.31Å; W369-V542 HydrophobicContact CE3-CB 4.14Å; W369-V542 HydrophobicContact CE3-CG1 3.7Å; W369-V542 HydrophobicContact CE3-CG2 3.91Å; W369-V542 HydrophobicContact CH2-CG1 4.28Å; W369-V542 HydrophobicContact CZ3-CB 4.42Å; W369-V542 HydrophobicContact CZ3-CG1 3.56Å; V445-V542 HydrophobicContact CG1-CG2 4.36Å; V445-V542 PolarHBondContact O-N 2.74Å; K447-V542 HydrophobicContact CD-CG2 4.08Å; K447-V542 HydrophobicContact CG-CG2 3.76Å
543F82.8Confident81.3Confident14 Ų1458.6 Ų58.66%0.06127%0.272CS..SBendtrans-107.15.2-173.7-54.9-50.8000114.1C343 W369 M389 K439 I440 L443 V445C343-F543 HydrophobicContact CB-CE1 4.22Å; C343-F543 HydrophobicContact CB-CZ 3.8Å; W369-F543 HydrophobicContact CE3-CZ 4.44Å; W369-F543 HydrophobicContact CZ3-CE1 4.07Å; W369-F543 AromaticContact CZ3-CZ 3.85Å; W369-F543 HydrophobicContact CZ3-CZ 3.85Å; M389-F543 HydrophobicContact CE-CD1 3.82Å; M389-F543 HydrophobicContact CE-CE1 3.25Å; M389-F543 HydrophobicContact CE-CE2 4.11Å; M389-F543 HydrophobicContact CE-CG 4.47Å; M389-F543 HydrophobicContact CE-CZ 3.42Å; M389-F543 VanDerWaalsContact CE-CZ 3.42Å; M389-F543 HydrophobicContact SD-CE1 4.35Å; M389-F543 HydrophobicContact SD-CE2 4.32Å; M389-F543 HydrophobicContact SD-CZ 4.2Å; K439-F543 WeakPolarHBondContact CB-O 3.45Å; I440-F543 HydrophobicContact CB-CB 4.19Å; I440-F543 PolarHBondContact N-O 2.97Å; L443-F543 HydrophobicContact CD2-CD2 3.78Å; L443-F543 HydrophobicContact CD2-CE2 3.95Å; L443-F543 HydrophobicContact CG-CD2 4.27Å; V445-F543 HydrophobicContact CB-CD2 3.87Å; V445-F543 HydrophobicContact CB-CE2 3.68Å; V445-F543 HydrophobicContact CG1-CE2 4.19Å; V445-F543 HydrophobicContact CG2-CD2 3.86Å; V445-F543 HydrophobicContact CG2-CE2 3.49Å; V445-F543 VanDerWaalsContact CG2-CE2 3.49Å
544C74Confident80.6Confident21 Ų2155.6 Ų55.614%0.14226%0.264CS..  trans-99154.3176.5-60.50000111.4L541L541-C544 HydrophobicContact CB-CB 4.05Å; L541-C544 HydrophobicContact CD1-CB 4.29Å
545D61.4Low79.8Confident101 Ų10158.9 Ų58.954%0.5428%0.279SS..SBendtrans-71.4-50.9-177.6-132.5-20.1000112.8K439K439-D545 HydrophobicContact CD-CB 3.66Å; K439-D545 VanDerWaalsContact CD-OD1 3.28Å; K439-D545 WeakPolarHBondContact CD-OD1 3.48Å; K439-D545 WeakPolarHBondContact CD-OD2 3.34Å; K439-D545 VanDerWaalsContact CE-CG 3.45Å; K439-D545 WeakPolarHBondContact CE-OD1 3.43Å; K439-D545 WeakPolarHBondContact CE-OD2 3.47Å; K439-D545 IonicContact NZ-OD1 2.73Å; K439-D545 PolarHBondContact NZ-OD1 3.25Å; K439-D545 IonicContact NZ-OD2 2.81Å; K439-D545 PolarHBondContact NZ-OD2 2.75Å
546D60.2Low78.9Confident87 Ų8760.3 Ų60.347%0.46529%0.286SS..SBendtrans-69.8140.3177.1-52.8-38.4000107.5K548D546-K548 HydrophobicContact CB-CB 4.25Å; D546-K548 HydrophobicContact CB-CD 3.94Å; D546-K548 HydrophobicContact CB-CG 3.69Å; D546-K548 PolarHBondContact O-N 2.98Å; D546-K548 WeakPolarHBondContact OD2-CE 3.42Å; D546-K548 IonicContact OD2-NZ 2.75Å; D546-K548 PolarHBondContact OD2-NZ 2.82Å
547A58.1Low77.9Confident42 Ų4264.3 Ų64.335%0.34731%0.305SS..  trans-6750.8159.600000109.8I549A547-I549 VanDerWaalsContact C-N 3.35Å; A547-I549 WeakPolarHBondContact O-CD1 3.38Å; A547-I549 VanDerWaalsContact O-CG1 3.23Å; A547-I549 WeakPolarHBondContact O-CG1 3.22Å; A547-I549 PolarHBondContact O-N 3.33Å
548K65.8Low76.9Confident120 Ų12056.6 Ų56.652%0.52228%0.28SS..  trans-58.5104171.2-92.1168.6-177.5158.30106.1L541 D546L541-K548 HydrophobicContact CD1-CB 4.16Å; L541-K548 PolarHBondContact N-O 2.75Å; D546-K548 HydrophobicContact CB-CB 4.25Å; D546-K548 HydrophobicContact CB-CD 3.94Å; D546-K548 HydrophobicContact CB-CG 3.69Å; D546-K548 PolarHBondContact O-N 2.98Å; D546-K548 WeakPolarHBondContact OD2-CE 3.42Å; D546-K548 IonicContact OD2-NZ 2.75Å; D546-K548 PolarHBondContact OD2-NZ 2.82Å
549I74.3Confident76Confident25 Ų2560 Ų6013%0.12830%0.298CS..EExtended strand (participates in β ladder)trans-98.3136.6175.5-70.9149.3000105.5P478 Y479 F538 K539 A547P478-I549 HydrophobicContact CB-CD1 4.07Å; Y479-I549 HydrophobicContact CD1-CD1 3.69Å; Y479-I549 HydrophobicContact CD2-CD1 4.43Å; Y479-I549 HydrophobicContact CE1-CD1 3.24Å; Y479-I549 HydrophobicContact CE1-CG1 4.34Å; Y479-I549 HydrophobicContact CE2-CD1 4.03Å; Y479-I549 HydrophobicContact CG-CD1 4.29Å; Y479-I549 VanDerWaalsContact CZ-CD1 3.43Å; F538-I549 HydrophobicContact CB-CG2 3.47Å; F538-I549 VanDerWaalsContact CB-CG2 3.47Å; F538-I549 HydrophobicContact CD2-CB 4.17Å; F538-I549 HydrophobicContact CD2-CD1 4.41Å; F538-I549 HydrophobicContact CD2-CG1 3.78Å; F538-I549 HydrophobicContact CD2-CG2 3.31Å; F538-I549 HydrophobicContact CE2-CD1 4.23Å; F538-I549 HydrophobicContact CE2-CG1 3.92Å; F538-I549 HydrophobicContact CE2-CG2 4.21Å; F538-I549 HydrophobicContact CG-CG2 3.6Å; K539-I549 WeakPolarHBondContact O-CA 3.36Å; A547-I549 VanDerWaalsContact C-N 3.35Å; A547-I549 WeakPolarHBondContact O-CD1 3.38Å; A547-I549 VanDerWaalsContact O-CG1 3.23Å; A547-I549 WeakPolarHBondContact O-CG1 3.22Å; A547-I549 PolarHBondContact O-N 3.33Å
550F83.1Confident74.9Confident50 Ų5062.3 Ų62.322%0.21931%0.311CS..EExtended strand (participates in β ladder)trans-139.8163.3172.665.7-75000108.4Y446 K539 L541Y446-F550 HydrophobicContact CD1-CZ 4.06Å; Y446-F550 HydrophobicContact CG-CZ 4.25Å; K539-F550 HydrophobicContact CB-CD1 3.89Å; K539-F550 HydrophobicContact CB-CD2 4.19Å; K539-F550 HydrophobicContact CB-CE1 3.55Å; K539-F550 HydrophobicContact CB-CE2 3.92Å; K539-F550 HydrophobicContact CB-CG 4.2Å; K539-F550 HydrophobicContact CB-CZ 3.59Å; K539-F550 WeakPolarHBondContact CB-O 3.39Å; K539-F550 HydrophobicContact CD-CD2 3.92Å; K539-F550 HydrophobicContact CD-CE1 4.39Å; K539-F550 HydrophobicContact CD-CE2 3.28Å; K539-F550 HydrophobicContact CD-CZ 3.56Å; K539-F550 HydrophobicContact CG-CE2 4.23Å; K539-F550 HydrophobicContact CG-CZ 4.22Å; K539-F550 PolarHBondContact N-O 3.06Å; K539-F550 PolarHBondContact O-N 2.86Å; K539-F550 VanDerWaalsContact O-N 3.11Å; L541-F550 HydrophobicContact CD1-CE1 4.43Å; L541-F550 HydrophobicContact CD2-CD1 4.45Å; L541-F550 HydrophobicContact CD2-CE1 3.51Å; L541-F550 HydrophobicContact CD2-CZ 4.15Å; L541-F550 HydrophobicContact CG-CD1 4.24Å; L541-F550 HydrophobicContact CG-CE1 3.74Å
551Q79.9Confident73.9Confident108 Ų10857.2 Ų57.251%0.50530%0.298SS..  trans-108.60178.7-68.9-169.4-54.500110.6N483 R537 F538N483-Q551 VanDerWaalsContact CB-OE1 3.31Å; N483-Q551 PolarHBondContact O-NE2 3.02Å; R537-Q551 PolarHBondContact O-NE2 3.43Å; F538-Q551 HydrophobicContact CB-CG 4.4Å

Retrieved 551 of 551 residues in 340.4 ms (Link to these results)

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