A0A3Q0KVI3_SCHMA Loading...

Vam6/vps39 related

AlphaFold DB , UniProt , Accession A0A3Q0KVI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,457 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
1M66.7Low83.6Confident133 Ų13345.3 Ų45.366%0.65523%0.233SC*.  0158.10-69.5-177.2-172.800109.3L419 I420 Q422M1-L419 HydrophobicContact CE-CD2 4.12Å; M1-I420 CarbonylContact C-O 3.58Å; M1-I420 WeakPolarHBondContact CA-O 3.22Å; M1-I420 WeakPolarHBondContact CB-O 3.37Å; M1-Q422 HydrophobicContact CE-CB 4.01Å; M1-Q422 HydrophobicContact CE-CG 3.88Å; M1-Q422 HydrophobicContact SD-CB 4.29Å
2Y79.8Confident83.3Confident33 Ų3346.9 Ų46.913%0.12925%0.251CS..  trans-125.2152.7-177.1-40.7-96.3000109.3A4 K418 I420 Q421 F498 L502 E507Y2-A4 PolarHBondContact O-N 3.23Å; Y2-K418 WeakPolarHBondContact OH-CE 3.44Å; Y2-K418 PolarHBondContact OH-NZ 2.77Å; Y2-I420 HydrophobicContact CD2-CB 4.41Å; Y2-I420 HydrophobicContact CD2-CD1 4.36Å; Y2-I420 HydrophobicContact CD2-CG2 3.93Å; Y2-I420 WeakPolarHBondContact CD2-O 3.32Å; Y2-I420 HydrophobicContact CE2-CD1 4.43Å; Y2-I420 PolarHBondContact N-O 2.75Å; Y2-Q421 WeakPolarHBondContact O-CB 3.47Å; Y2-Q421 VanDerWaalsContact O-CG 3.32Å; Y2-Q421 WeakPolarHBondContact O-CG 3.45Å; Y2-Q421 PolarHBondContact O-OE1 2.8Å; Y2-F498 HydrophobicContact CD1-CE2 4.08Å; Y2-F498 AromaticContact CG-CE2 3.97Å; Y2-F498 HydrophobicContact CG-CE2 3.97Å; Y2-F498 HydrophobicContact CG-CZ 4.17Å; Y2-L502 HydrophobicContact CD1-CD2 3.79Å; Y2-L502 HydrophobicContact CE1-CD2 3.7Å; Y2-E507 PolarHBondContact OH-OE1 2.78Å; Y2-E507 PolarHBondContact OH-OE2 2.71Å
3S78.4Confident82.6Confident76 Ų7649 Ų4953%0.53126%0.262SS..  trans-81.762.5173.156.80000110.6A493S3-A493 VanDerWaalsContact O-CB 3.26Å; S3-A493 WeakPolarHBondContact O-CB 3.2Å
4A82.8Confident82.1Confident0 Ų047.6 Ų47.60%025%0.252CS..  trans-77.8-23.9-178.500000112.7Y2 Y400 I420 S492 A493 F498Y2-A4 PolarHBondContact O-N 3.23Å; A4-Y400 HydrophobicContact CB-CE1 4.38Å; A4-I420 HydrophobicContact CB-CG2 3.48Å; A4-I420 VanDerWaalsContact CB-CG2 3.48Å; A4-S492 WeakPolarHBondContact O-CA 3.3Å; A4-S492 PolarHBondContact O-OG 3.19Å; A4-A493 PolarHBondContact O-N 3.05Å; A4-F498 HydrophobicContact CB-CE1 3.84Å; A4-F498 HydrophobicContact CB-CZ 4.09Å
5F87.5Confident81.7Confident4 Ų451.1 Ų51.12%0.01828%0.278CS..EExtended strand (participates in β ladder)trans-139.8152.8178.9-66.2-88.1000112.5F397 Y400 I411 Q421 L423 F439 I490 L491F5-F397 AromaticContact CE1-CD1 3.93Å; F5-F397 HydrophobicContact CE1-CD1 3.93Å; F5-F397 AromaticContact CE1-CE1 3.83Å; F5-F397 HydrophobicContact CE1-CE1 3.83Å; F5-F397 AromaticContact CZ-CD1 3.77Å; F5-F397 HydrophobicContact CZ-CD1 3.77Å; F5-F397 HydrophobicContact CZ-CE1 4.01Å; F5-Y400 HydrophobicContact CE2-CD1 4.17Å; F5-Y400 AromaticContact CE2-CD2 3.74Å; F5-Y400 HydrophobicContact CE2-CD2 3.74Å; F5-Y400 HydrophobicContact CE2-CE1 4.14Å; F5-Y400 AromaticContact CE2-CE2 3.7Å; F5-Y400 HydrophobicContact CE2-CE2 3.7Å; F5-Y400 AromaticContact CE2-CG 3.95Å; F5-Y400 HydrophobicContact CE2-CG 3.95Å; F5-Y400 AromaticContact CE2-CZ 3.89Å; F5-Y400 AromaticContact CZ-CD2 3.54Å; F5-Y400 HydrophobicContact CZ-CD2 3.54Å; F5-Y400 AromaticContact CZ-CE2 3.58Å; F5-Y400 HydrophobicContact CZ-CE2 3.58Å; F5-Y400 HydrophobicContact CZ-CG 4.15Å; F5-I411 HydrophobicContact CB-CD1 4.27Å; F5-I411 HydrophobicContact CD2-CD1 3.51Å; F5-I411 HydrophobicContact CD2-CG2 4.17Å; F5-I411 HydrophobicContact CE2-CD1 4.09Å; F5-I411 HydrophobicContact CE2-CG2 3.88Å; F5-I411 HydrophobicContact CG-CD1 4.03Å; F5-Q421 PolarHBondContact O-NE2 3.31Å; F5-Q421 PolarHBondContact O-OE1 3.18Å; F5-L423 HydrophobicContact CB-CD1 4.44Å; F5-F439 HydrophobicContact CE1-CD1 4.47Å; F5-I490 HydrophobicContact CB-CG2 3.77Å; F5-I490 HydrophobicContact CD1-CG2 3.83Å; F5-I490 HydrophobicContact CG-CG2 4.08Å; F5-L491 CarbonylContact C-O 3.57Å; F5-L491 WeakPolarHBondContact CA-O 3.01Å
6V88.8Confident81.5Confident17 Ų1753.8 Ų53.810%0.10328%0.284CS..EExtended strand (participates in β ladder)trans-126.8123.6171.663.60000111I8 F52 L84 L491V6-I8 HydrophobicContact CG1-CD1 4.42Å; V6-F52 HydrophobicContact CB-CD1 4.09Å; V6-F52 HydrophobicContact CB-CE1 3.72Å; V6-F52 HydrophobicContact CB-CZ 4.01Å; V6-F52 HydrophobicContact CG1-CB 4.45Å; V6-F52 HydrophobicContact CG1-CD1 3.45Å; V6-F52 VanDerWaalsContact CG1-CD1 3.45Å; V6-F52 HydrophobicContact CG1-CD2 4.08Å; V6-F52 HydrophobicContact CG1-CE1 3.61Å; V6-F52 HydrophobicContact CG1-CE2 4.23Å; V6-F52 HydrophobicContact CG1-CG 3.73Å; V6-F52 HydrophobicContact CG1-CZ 4.02Å; V6-F52 HydrophobicContact CG2-CE1 4.49Å; V6-F52 HydrophobicContact CG2-CZ 4.29Å; V6-L84 HydrophobicContact CG2-CD2 3.81Å; V6-L491 HydrophobicContact CG1-CB 3.91Å; V6-L491 PolarHBondContact N-O 3.02Å; V6-L491 PolarHBondContact O-N 3.48Å
7P89.3Confident81.5Confident42 Ų4252.7 Ų52.727%0.27328%0.281SS..EExtended strand (participates in β ladder)trans-88.3129.4178.934.5-32.8000111.4L423 I425 W488 I490P7-L423 HydrophobicContact CG-CD2 4.39Å; P7-I425 HydrophobicContact CB-CD1 3.83Å; P7-I425 HydrophobicContact CB-CG1 4.31Å; P7-W488 HydrophobicContact CB-CE3 3.92Å; P7-W488 HydrophobicContact CB-CZ3 4.18Å; P7-I490 HydrophobicContact CB-CG1 4.48Å
8I88.1Confident81.8Confident24 Ų2450.1 Ų50.112%0.12327%0.267CS..EExtended strand (participates in β ladder)trans-127.4119.2-176.7-59.8171.4000108V6 L10 P85 F87 W488 V489 L491V6-I8 HydrophobicContact CG1-CD1 4.42Å; I8-L10 PolarHBondContact O-N 2.99Å; I8-P85 HydrophobicContact CD1-CG 3.89Å; I8-F87 HydrophobicContact CD1-CE2 4.23Å; I8-W488 CarbonylContact O-C 3.44Å; I8-W488 WeakPolarHBondContact O-CA 3.23Å; I8-V489 PolarHBondContact N-O 3.01Å; I8-V489 PolarHBondContact O-N 3.36Å; I8-L491 HydrophobicContact CD1-CD1 3.63Å; I8-L491 HydrophobicContact CD1-CG 4.06Å
9R88.6Confident82Confident107 Ų10750.7 Ų50.740%0.40427%0.268SS..EExtended strand (participates in β ladder)trans-73.1115.5178.3-168.2-176.8-68.3166.6-16.7109.7L11 E486 W488R9-L11 WeakPolarHBondContact CG-O 3.47Å; R9-E486 HydrophobicContact CG-CB 4.43Å; R9-E486 IonicContact CZ-OE1 2.74Å; R9-E486 IonicContact CZ-OE2 3.21Å; R9-E486 IonicContact NE-OE1 3.53Å; R9-E486 PolarHBondContact NE-OE1 3.32Å; R9-E486 IonicContact NE-OE2 2.73Å; R9-E486 PolarHBondContact NE-OE2 2.8Å; R9-E486 IonicContact NH1-OE1 3.53Å; R9-E486 PolarHBondContact NH1-OE1 2.66Å; R9-E486 IonicContact NH2-OE1 3.52Å; R9-E486 PolarHBondContact NH2-OE1 3.16Å; R9-E486 IonicContact NH2-OE2 3.88Å; R9-E486 PolarHBondContact NH2-OE2 2.83Å; R9-W488 HydrophobicContact CB-CD2 4.13Å; R9-W488 HydrophobicContact CB-CE3 3.97Å; R9-W488 HydrophobicContact CB-CH2 4.23Å; R9-W488 HydrophobicContact CB-CZ2 4.37Å; R9-W488 HydrophobicContact CB-CZ3 4.02Å; R9-W488 HydrophobicContact CG-CD2 4.43Å; R9-W488 HydrophobicContact CG-CZ2 4.46Å
10L86.2Confident82.3Confident27 Ų2748.7 Ų48.714%0.14126%0.258CS..EExtended strand (participates in β ladder)trans-80.1-44.6175.6-73.7-173.1000112.3I8 L42 F87 T89 Y440 I487 V489I8-L10 PolarHBondContact O-N 2.99Å; L10-L42 HydrophobicContact CD1-CD1 3.85Å; L10-L42 HydrophobicContact CD1-CD2 3.74Å; L10-L42 HydrophobicContact CD1-CG 4.38Å; L10-L42 HydrophobicContact CD2-CD2 3.72Å; L10-L42 HydrophobicContact CG-CD2 4.39Å; L10-F87 HydrophobicContact CD2-CB 4.17Å; L10-F87 HydrophobicContact CD2-CD2 4.23Å; L10-F87 HydrophobicContact CD2-CG 4.37Å; L10-T89 HydrophobicContact CB-CG2 4.37Å; L10-T89 HydrophobicContact CD1-CG2 4.37Å; L10-T89 HydrophobicContact CD2-CG2 4.23Å; L10-Y440 HydrophobicContact CD1-CD1 4.32Å; L10-Y440 HydrophobicContact CD1-CE1 4.13Å; L10-I487 HydrophobicContact CB-CG2 4.5Å; L10-I487 HydrophobicContact CD1-CG2 4.34Å; L10-I487 PolarHBondContact N-O 2.69Å; L10-V489 HydrophobicContact CD1-CB 4.39Å; L10-V489 HydrophobicContact CD1-CG2 3.47Å; L10-V489 VanDerWaalsContact CD1-CG2 3.47Å; L10-V489 HydrophobicContact CD2-CB 4.31Å; L10-V489 HydrophobicContact CD2-CG2 4.01Å; L10-V489 HydrophobicContact CG-CB 4.11Å; L10-V489 HydrophobicContact CG-CG2 3.72Å
11L83.6Confident82.8Confident35 Ų3547 Ų4718%0.18325%0.249CC..EExtended strand (participates in β ladder)trans-133.8133.7-178-59.4176.7000108.6R9 Y14 Y40 E486 I487R9-L11 WeakPolarHBondContact CG-O 3.47Å; L11-Y14 HydrophobicContact CD1-CD2 4.45Å; L11-Y40 HydrophobicContact CD1-CD1 4.4Å; L11-Y40 HydrophobicContact CD1-CE1 3.67Å; L11-E486 VanDerWaalsContact O-CA 3.31Å; L11-E486 WeakPolarHBondContact O-CA 3.47Å; L11-I487 HydrophobicContact CB-CB 4.25Å; L11-I487 HydrophobicContact CD1-CD1 4.05Å; L11-I487 HydrophobicContact CD1-CG1 4.39Å; L11-I487 PolarHBondContact N-O 2.93Å; L11-I487 PolarHBondContact O-N 3.12Å
12S79.8Confident84Confident65 Ų6541.5 Ų41.546%0.45522%0.223SC..EExtended strand (participates in β ladder)trans-112.8153.1169.959.60000110.1Y14S12-Y14 PolarHBondContact O-N 2.76Å; S12-Y14 VanDerWaalsContact O-N 3.13Å
13D73.9Confident84.5Confident74 Ų7440.4 Ų40.440%0.39622%0.22SC..EExtended strand (participates in β ladder)trans52.437.7169.9-53.9-71.1000114.6N482 G484 N485D13-N482 PolarHBondContact OD2-ND2 3.24Å; D13-G484 PolarHBondContact OD1-N 3.31Å; D13-N485 PolarHBondContact N-O 3.21Å; D13-N485 VanDerWaalsContact N-O 3.15Å
14Y76.6Confident84.8Confident30 Ų3038 Ų3812%0.11820%0.199CC..EExtended strand (participates in β ladder)trans-67.2129.9-178.8-172.4-104.2000110.7L11 S12 Y16 L18 L38 Y40 N485L11-Y14 HydrophobicContact CD1-CD2 4.45Å; S12-Y14 PolarHBondContact O-N 2.76Å; S12-Y14 VanDerWaalsContact O-N 3.13Å; Y14-Y16 VanDerWaalsContact CD1-O 3.29Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.09Å; Y14-Y16 HydrophobicContact CE1-CD2 4.05Å; Y14-Y16 HydrophobicContact CE1-CG 4.47Å; Y14-Y16 AromaticContact CZ-CD2 3.97Å; Y14-Y16 PolarHBondContact O-N 2.92Å; Y14-L18 HydrophobicContact CD1-CD2 3.65Å; Y14-L18 HydrophobicContact CD1-CG 4.36Å; Y14-L18 HydrophobicContact CE1-CD2 3.73Å; Y14-L38 HydrophobicContact CE1-CD1 4.39Å; Y14-L38 WeakPolarHBondContact OH-CD1 3.42Å; Y14-L38 WeakPolarHBondContact OH-CD2 3.37Å; Y14-Y40 WeakPolarHBondContact CE2-OH 3.27Å; Y14-N485 PolarHBondContact N-O 2.88Å; Y14-N485 PolarHBondContact O-ND2 3.04Å
15P75.2Confident84.7Confident99 Ų9939.7 Ų39.764%0.64321%0.208SC*.SBendtrans-75.8-20.9-163.527.7-36.4000115
16Y79.2Confident84.6Confident95 Ų9540 Ų4037%0.37321%0.21SC..SBendtrans-101.6129.6179.2-57-70.3000110.5Y14 L18 Q34 L36 N485Y14-Y16 VanDerWaalsContact CD1-O 3.29Å; Y14-Y16 WeakPolarHBondContact CD1-O 3.09Å; Y14-Y16 HydrophobicContact CE1-CD2 4.05Å; Y14-Y16 HydrophobicContact CE1-CG 4.47Å; Y14-Y16 AromaticContact CZ-CD2 3.97Å; Y14-Y16 PolarHBondContact O-N 2.92Å; Y16-L18 WeakPolarHBondContact O-CD2 3.49Å; Y16-L18 PolarHBondContact O-N 3.37Å; Y16-Q34 HydrophobicContact CD1-CG 4.03Å; Y16-Q34 HydrophobicContact CE1-CG 4.45Å; Y16-L36 HydrophobicContact CD2-CD1 4.4Å; Y16-L36 HydrophobicContact CE1-CD1 4.4Å; Y16-L36 HydrophobicContact CE2-CD1 4.16Å; Y16-N485 PolarHBondContact O-ND2 3.38Å
17P81.5Confident84.6Confident35 Ų3540.4 Ų40.423%0.22721%0.211CC..PPolyproline II helixtrans-65.2132.2175.526.4-33.5000111.6T32 K33 N485P17-T32 WeakPolarHBondContact O-CA 3.21Å; P17-K33 HydrophobicContact CB-CD 4.05Å; P17-K33 HydrophobicContact CB-CG 4.34Å; P17-K33 HydrophobicContact CG-CB 4.06Å; P17-K33 HydrophobicContact CG-CD 3.94Å; P17-K33 HydrophobicContact CG-CG 4.11Å; P17-K33 PolarHBondContact O-N 3.21Å; P17-K33 VanDerWaalsContact O-N 3.09Å; P17-N485 WeakPolarHBondContact CA-OD1 3.49Å
18L86.3Confident84.7Confident6 Ų638.5 Ų38.53%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-90.3128.4-172.8-53.9-175.4000110.2Y14 Y16 V30 T32 N485 I487Y14-L18 HydrophobicContact CD1-CD2 3.65Å; Y14-L18 HydrophobicContact CD1-CG 4.36Å; Y14-L18 HydrophobicContact CE1-CD2 3.73Å; Y16-L18 WeakPolarHBondContact O-CD2 3.49Å; Y16-L18 PolarHBondContact O-N 3.37Å; L18-V30 HydrophobicContact CD1-CG1 4.41Å; L18-V30 HydrophobicContact CD2-CG1 3.48Å; L18-V30 VanDerWaalsContact CD2-CG1 3.48Å; L18-V30 HydrophobicContact CG-CG1 4.4Å; L18-T32 HydrophobicContact CD2-CG2 4.32Å; L18-N485 HydrophobicContact CG-CB 4.36Å; L18-I487 HydrophobicContact CD1-CD1 3.66Å; L18-I487 HydrophobicContact CD1-CG1 3.46Å; L18-I487 VanDerWaalsContact CD1-CG1 3.46Å
19E85.3Confident84.9Confident62 Ų6237.4 Ų37.429%0.2919%0.192SC..EExtended strand (participates in β ladder)trans-108.5-40.3-175.5-163.380123.400112.1G31 K33 P101 I102E19-G31 PolarHBondContact N-O 3.38Å; E19-K33 HydrophobicContact CB-CG 4.24Å; E19-K33 VanDerWaalsContact OE1-CE 3.32Å; E19-K33 WeakPolarHBondContact OE1-CE 3.47Å; E19-K33 WeakPolarHBondContact OE2-CE 3.41Å; E19-K33 IonicContact OE2-NZ 3.44Å; E19-K33 PolarHBondContact OE2-NZ 2.92Å; E19-P101 HydrophobicContact CG-CB 4.31Å; E19-I102 WeakPolarHBondContact CG-O 3.42Å
20C89.3Confident85.1Confident10 Ų1032.3 Ų32.37%0.06817%0.173CC..EExtended strand (participates in β ladder)trans-148.3151.1-179.464.30000112.9G31 I102 L105C20-G31 PolarHBondContact N-O 2.78Å; C20-G31 PolarHBondContact O-N 3.25Å; C20-I102 PolarHBondContact SG-O 2.71Å; C20-I102 VanDerWaalsContact SG-O 3.35Å; C20-L105 HydrophobicContact CB-CB 4.3Å; C20-L105 WeakPolarHBondContact SG-CB 3.27Å
21L91.9Very high85.3Confident14 Ų1431 Ų317%0.07317%0.167CC..EExtended strand (participates in β ladder)trans-125.5147.5176.3-59.4178.5000111.2L28 L29 V30 A430 C432L21-L28 HydrophobicContact CD2-CD1 4.46Å; L21-L29 WeakPolarHBondContact CA-O 3.46Å; L21-V30 HydrophobicContact CD2-CB 4.21Å; L21-V30 HydrophobicContact CD2-CG1 3.96Å; L21-V30 HydrophobicContact CD2-CG2 3.84Å; L21-A430 HydrophobicContact CB-CB 4.43Å; L21-A430 HydrophobicContact CD1-CB 4.38Å; L21-A430 HydrophobicContact CG-CB 4.09Å; L21-C432 HydrophobicContact CB-CB 4.2Å; L21-C432 VanDerWaalsContact CB-SG 3.6Å
22T91.4Very high85.6Confident16 Ų1629.3 Ų29.310%0.09816%0.158CC..EExtended strand (participates in β ladder)trans-148161.8161.5-1610000109.3L29 L105 A107 L114T22-L29 HydrophobicContact CG2-CB 3.75Å; T22-L29 PolarHBondContact N-O 3.39Å; T22-L29 WeakPolarHBondContact O-CA 3.38Å; T22-L29 WeakPolarHBondContact O-CB 3.47Å; T22-L29 PolarHBondContact O-N 2.97Å; T22-L29 VanDerWaalsContact O-O 3.13Å; T22-L105 HydrophobicContact CG2-CD2 3.8Å; T22-L105 HydrophobicContact CG2-CG 3.74Å; T22-A107 HydrophobicContact CG2-CB 3.9Å; T22-A107 PolarHBondContact OG1-N 3.43Å; T22-A107 VanDerWaalsContact OG1-N 3.09Å; T22-L114 HydrophobicContact CG2-CD1 4.04Å
23C90.1Very high86Confident10 Ų1030.9 Ų30.97%0.06816%0.156CC..EExtended strand (participates in β ladder)trans-150155-179.858.20000112.5F27 L28 Y440C23-F27 WeakPolarHBondContact CA-O 3.09Å; C23-F27 WeakPolarHBondContact CB-O 3.46Å; C23-L28 HydrophobicContact CB-CD1 4.25Å; C23-Y440 HydrophobicContact CB-CD2 4.04Å; C23-Y440 HydrophobicContact CB-CE2 3.69Å
24Y85.8Confident86.7Confident25 Ų2531.2 Ų31.210%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-147144.8173.568.8-93.2000109.4N26 F27 L29 A107 P109 L127Y24-N26 PolarHBondContact O-N 3.48Å; Y24-N26 VanDerWaalsContact O-N 3.12Å; Y24-F27 HydrophobicContact CD1-CB 4.24Å; Y24-F27 HydrophobicContact CD2-CB 4.37Å; Y24-F27 AromaticContact CD2-CD2 3.8Å; Y24-F27 HydrophobicContact CD2-CD2 3.8Å; Y24-F27 HydrophobicContact CD2-CG 4.48Å; Y24-F27 HydrophobicContact CE1-CB 3.93Å; Y24-F27 HydrophobicContact CE1-CG 4.43Å; Y24-F27 HydrophobicContact CE2-CB 4.04Å; Y24-F27 AromaticContact CE2-CD2 3.22Å; Y24-F27 HydrophobicContact CE2-CD2 3.22Å; Y24-F27 AromaticContact CE2-CE2 3.95Å; Y24-F27 HydrophobicContact CE2-CE2 3.95Å; Y24-F27 AromaticContact CE2-CG 3.84Å; Y24-F27 HydrophobicContact CE2-CG 3.84Å; Y24-F27 HydrophobicContact CG-CB 4.45Å; Y24-F27 AromaticContact CZ-CD2 3.67Å; Y24-F27 AromaticContact CZ-CG 3.79Å; Y24-F27 PolarHBondContact N-O 2.85Å; Y24-F27 WeakPolarHBondContact O-CA 3.5Å; Y24-F27 WeakPolarHBondContact O-CB 3.42Å; Y24-F27 PolarHBondContact O-N 3.07Å; Y24-L29 HydrophobicContact CD1-CD1 3.53Å; Y24-L29 HydrophobicContact CE1-CD1 3.42Å; Y24-L29 VanDerWaalsContact CE1-CD1 3.42Å; Y24-L29 HydrophobicContact CE1-CD2 4.17Å; Y24-L29 HydrophobicContact CE1-CG 4.42Å; Y24-A107 HydrophobicContact CD1-CB 4.13Å; Y24-P109 HydrophobicContact CG-CG 4.44Å; Y24-L127 HydrophobicContact CD1-CD1 3.66Å; Y24-L127 HydrophobicContact CD1-CD2 3.65Å; Y24-L127 HydrophobicContact CD1-CG 3.76Å; Y24-L127 HydrophobicContact CD2-CD2 4.25Å; Y24-L127 HydrophobicContact CE1-CD1 3.48Å; Y24-L127 VanDerWaalsContact CE1-CD1 3.48Å; Y24-L127 HydrophobicContact CE1-CD2 3.86Å; Y24-L127 HydrophobicContact CE1-CG 3.46Å; Y24-L127 VanDerWaalsContact CE1-CG 3.46Å; Y24-L127 HydrophobicContact CE2-CD2 4.47Å; Y24-L127 HydrophobicContact CG-CD2 3.86Å; Y24-L127 HydrophobicContact CG-CG 4.4Å
25D80.5Confident87.2Confident36 Ų3629.8 Ų29.819%0.19315%0.15CC..THydrogen-bonded Turntrans44.4-119.5-171.8-62.5-76.7000111.1F27 S58 C59 S434 W438D25-F27 HydrophobicContact CB-CD2 4.37Å; D25-S58 WeakPolarHBondContact OD1-CA 3.37Å; D25-C59 WeakPolarHBondContact OD1-CB 3.35Å; D25-C59 PolarHBondContact OD1-N 3.21Å; D25-C59 PolarHBondContact OD1-SG 3.24Å; D25-C59 VanDerWaalsContact OD1-SG 3.41Å; D25-S434 PolarHBondContact O-OG 3.35Å; D25-W438 PolarHBondContact O-NE1 3.31Å
26N85.7Confident88Confident12 Ų1226.5 Ų26.56%0.06413%0.127CC..THydrogen-bonded Turntrans-100.715.3173.972-45.1000114.4Y24 L42 L57 W438Y24-N26 PolarHBondContact O-N 3.48Å; Y24-N26 VanDerWaalsContact O-N 3.12Å; N26-L42 PolarHBondContact ND2-O 2.82Å; N26-L42 PolarHBondContact O-N 2.83Å; N26-L57 HydrophobicContact CB-CD2 3.77Å; N26-L57 PolarHBondContact OD1-O 3.42Å; N26-W438 HydrophobicContact CB-CZ2 4.12Å
27F89.2Confident88.6Confident24 Ų2422 Ų2211%0.10511%0.109CC..EExtended strand (participates in β ladder)trans-101.6128.9180-60-78.7000112.1C23 Y24 D25 L29 V39 Y40 E41 K92C23-F27 WeakPolarHBondContact CA-O 3.09Å; C23-F27 WeakPolarHBondContact CB-O 3.46Å; Y24-F27 HydrophobicContact CD1-CB 4.24Å; Y24-F27 HydrophobicContact CD2-CB 4.37Å; Y24-F27 AromaticContact CD2-CD2 3.8Å; Y24-F27 HydrophobicContact CD2-CD2 3.8Å; Y24-F27 HydrophobicContact CD2-CG 4.48Å; Y24-F27 HydrophobicContact CE1-CB 3.93Å; Y24-F27 HydrophobicContact CE1-CG 4.43Å; Y24-F27 HydrophobicContact CE2-CB 4.04Å; Y24-F27 AromaticContact CE2-CD2 3.22Å; Y24-F27 HydrophobicContact CE2-CD2 3.22Å; Y24-F27 AromaticContact CE2-CE2 3.95Å; Y24-F27 HydrophobicContact CE2-CE2 3.95Å; Y24-F27 AromaticContact CE2-CG 3.84Å; Y24-F27 HydrophobicContact CE2-CG 3.84Å; Y24-F27 HydrophobicContact CG-CB 4.45Å; Y24-F27 AromaticContact CZ-CD2 3.67Å; Y24-F27 AromaticContact CZ-CG 3.79Å; Y24-F27 PolarHBondContact N-O 2.85Å; Y24-F27 WeakPolarHBondContact O-CA 3.5Å; Y24-F27 WeakPolarHBondContact O-CB 3.42Å; Y24-F27 PolarHBondContact O-N 3.07Å; D25-F27 HydrophobicContact CB-CD2 4.37Å; F27-L29 HydrophobicContact CB-CD1 4.06Å; F27-V39 HydrophobicContact CB-CG1 4.44Å; F27-V39 HydrophobicContact CD1-CG1 4.27Å; F27-Y40 CarbonylContact C-O 3.47Å; F27-Y40 VanDerWaalsContact CA-O 3.28Å; F27-Y40 WeakPolarHBondContact CA-O 3.11Å; F27-E41 HydrophobicContact CD1-CB 4Å; F27-E41 HydrophobicContact CD1-CG 4.22Å; F27-E41 HydrophobicContact CE1-CB 3.72Å; F27-E41 VanDerWaalsContact CE1-CD 3.42Å; F27-E41 HydrophobicContact CE1-CG 3.57Å; F27-E41 WeakPolarHBondContact CE1-OE1 3.42Å; F27-E41 HydrophobicContact CZ-CG 4.19Å; F27-E41 VanDerWaalsContact CZ-OE1 3.28Å; F27-E41 WeakPolarHBondContact CZ-OE1 3.14Å; F27-K92 HydrophobicContact CD1-CD 4.23Å; F27-K92 HydrophobicContact CE1-CD 3.56Å; F27-K92 HydrophobicContact CZ-CD 4.44Å
28L91Very high89Confident3 Ų320.7 Ų20.72%0.01610%0.1CC..EExtended strand (participates in β ladder)trans-107.7126172.6176.165.7000109.9L21 C23 V30 Y40 L42 Y440 I487L21-L28 HydrophobicContact CD2-CD1 4.46Å; C23-L28 HydrophobicContact CB-CD1 4.25Å; L28-V30 HydrophobicContact CD2-CG2 4.22Å; L28-V30 HydrophobicContact CG-CG2 3.95Å; L28-Y40 PolarHBondContact N-O 2.79Å; L28-Y40 PolarHBondContact O-N 2.98Å; L28-L42 HydrophobicContact CB-CD1 4.35Å; L28-Y440 HydrophobicContact CB-CE1 4.2Å; L28-Y440 HydrophobicContact CD1-CD1 4Å; L28-Y440 HydrophobicContact CD1-CD2 3.94Å; L28-Y440 HydrophobicContact CD1-CE1 4.35Å; L28-Y440 HydrophobicContact CD1-CE2 4.29Å; L28-Y440 HydrophobicContact CD1-CG 3.77Å; L28-Y440 HydrophobicContact CD2-CD1 3.81Å; L28-Y440 HydrophobicContact CD2-CE1 4.04Å; L28-Y440 HydrophobicContact CD2-CG 4.39Å; L28-Y440 HydrophobicContact CG-CD1 4.36Å; L28-Y440 HydrophobicContact CG-CE1 4.43Å; L28-I487 HydrophobicContact CD2-CD1 4.3Å; L28-I487 HydrophobicContact CD2-CG2 3.72Å
29L92.6Very high89.2Confident0 Ų020.5 Ų20.50%010%0.099CC..EExtended strand (participates in β ladder)trans-114.5123.6-176.1-70.384.5000109.3L21 T22 Y24 F27 L37 L38 V39 L105 L114 L127L21-L29 WeakPolarHBondContact CA-O 3.46Å; T22-L29 HydrophobicContact CG2-CB 3.75Å; T22-L29 PolarHBondContact N-O 3.39Å; T22-L29 WeakPolarHBondContact O-CA 3.38Å; T22-L29 WeakPolarHBondContact O-CB 3.47Å; T22-L29 PolarHBondContact O-N 2.97Å; T22-L29 VanDerWaalsContact O-O 3.13Å; Y24-L29 HydrophobicContact CD1-CD1 3.53Å; Y24-L29 HydrophobicContact CE1-CD1 3.42Å; Y24-L29 VanDerWaalsContact CE1-CD1 3.42Å; Y24-L29 HydrophobicContact CE1-CD2 4.17Å; Y24-L29 HydrophobicContact CE1-CG 4.42Å; F27-L29 HydrophobicContact CB-CD1 4.06Å; L29-L37 HydrophobicContact CB-CD1 4.33Å; L29-L38 CarbonylContact C-O 3.54Å; L29-L38 WeakPolarHBondContact CA-O 3.44Å; L29-V39 HydrophobicContact CD1-CG1 4.34Å; L29-V39 HydrophobicContact CD2-CG2 4.06Å; L29-V39 HydrophobicContact CG-CB 4.47Å; L29-V39 HydrophobicContact CG-CG1 4.12Å; L29-V39 HydrophobicContact CG-CG2 4.02Å; L29-L105 HydrophobicContact CB-CD2 4.18Å; L29-L114 HydrophobicContact CD2-CD1 3.99Å; L29-L114 HydrophobicContact CD2-CD2 3.87Å; L29-L127 HydrophobicContact CD2-CD1 4.16Å
30V91.7Very high89.4Confident0 Ų018.1 Ų18.10%09%0.088CC..EExtended strand (participates in β ladder)trans-124.4123-166.2-175.40000109.2L18 L21 L28 L37 L38 Y40 I487L18-V30 HydrophobicContact CD1-CG1 4.41Å; L18-V30 HydrophobicContact CD2-CG1 3.48Å; L18-V30 VanDerWaalsContact CD2-CG1 3.48Å; L18-V30 HydrophobicContact CG-CG1 4.4Å; L21-V30 HydrophobicContact CD2-CB 4.21Å; L21-V30 HydrophobicContact CD2-CG1 3.96Å; L21-V30 HydrophobicContact CD2-CG2 3.84Å; L28-V30 HydrophobicContact CD2-CG2 4.22Å; L28-V30 HydrophobicContact CG-CG2 3.95Å; V30-L37 WeakPolarHBondContact O-CA 3.44Å; V30-L38 HydrophobicContact CB-CB 4.37Å; V30-L38 PolarHBondContact N-O 2.82Å; V30-L38 PolarHBondContact O-N 3.47Å; V30-Y40 HydrophobicContact CB-CE2 4.27Å; V30-Y40 HydrophobicContact CG2-CD2 3.83Å; V30-Y40 HydrophobicContact CG2-CE2 3.77Å; V30-I487 HydrophobicContact CG1-CD1 4.34Å; V30-I487 HydrophobicContact CG2-CD1 3.92Å
31G90.9Very high89.4Confident0 Ų020.1 Ų20.10%010%0.096CC..EExtended strand (participates in β ladder)trans-102.1130173.300000111.8E19 C20 L36E19-G31 PolarHBondContact N-O 3.38Å; C20-G31 PolarHBondContact N-O 2.78Å; C20-G31 PolarHBondContact O-N 3.25Å; G31-L36 WeakPolarHBondContact CA-O 3.26Å
32T90.9Very high89.2Confident0 Ų019.4 Ų19.40%09%0.092CC..EExtended strand (participates in β ladder)trans-102.7162.5179.575.80000112.9P17 L18 Q34 G35 L36 L38 I102P17-T32 WeakPolarHBondContact O-CA 3.21Å; L18-T32 HydrophobicContact CD2-CG2 4.32Å; T32-Q34 PolarHBondContact O-N 2.88Å; T32-Q34 PolarHBondContact OG1-N 3.5Å; T32-G35 PolarHBondContact O-N 3Å; T32-L36 HydrophobicContact CG2-CB 4.28Å; T32-L36 PolarHBondContact N-O 3.4Å; T32-L36 WeakPolarHBondContact OG1-CB 3.4Å; T32-L36 PolarHBondContact OG1-N 3.39Å; T32-L38 HydrophobicContact CG2-CD1 3.58Å; T32-I102 PolarHBondContact O-N 2.93Å
33K87.4Confident88.9Confident97 Ų9720.7 Ų20.742%0.42210%0.1SC..THydrogen-bonded Turntrans-62.8-20.3172.6-63.6-171.5169.1176.30113.9P17 E19 G35 K100 P101P17-K33 HydrophobicContact CB-CD 4.05Å; P17-K33 HydrophobicContact CB-CG 4.34Å; P17-K33 HydrophobicContact CG-CB 4.06Å; P17-K33 HydrophobicContact CG-CD 3.94Å; P17-K33 HydrophobicContact CG-CG 4.11Å; P17-K33 PolarHBondContact O-N 3.21Å; P17-K33 VanDerWaalsContact O-N 3.09Å; E19-K33 HydrophobicContact CB-CG 4.24Å; E19-K33 VanDerWaalsContact OE1-CE 3.32Å; E19-K33 WeakPolarHBondContact OE1-CE 3.47Å; E19-K33 WeakPolarHBondContact OE2-CE 3.41Å; E19-K33 IonicContact OE2-NZ 3.44Å; E19-K33 PolarHBondContact OE2-NZ 2.92Å; K33-G35 VanDerWaalsContact C-N 3.27Å; K33-K100 CarbonylContact O-C 3.58Å; K33-P101 HydrophobicContact CB-CG 4.13Å; K33-P101 HydrophobicContact CG-CG 4.45Å; K33-P101 WeakPolarHBondContact O-CA 3.35Å; K33-P101 VanDerWaalsContact O-CD 3.27Å; K33-P101 WeakPolarHBondContact O-CD 3.19Å; K33-P101 WeakPolarHBondContact O-CG 3.33Å; K33-P101 VanDerWaalsContact O-N 3.15Å
34Q87.5Confident88.6Confident82 Ų8221.6 Ų21.638%0.38311%0.106SC..THydrogen-bonded Turntrans-79.7-6.3175.8-70.575.611.100113.3Y16 T32 L36Y16-Q34 HydrophobicContact CD1-CG 4.03Å; Y16-Q34 HydrophobicContact CE1-CG 4.45Å; T32-Q34 PolarHBondContact O-N 2.88Å; T32-Q34 PolarHBondContact OG1-N 3.5Å; Q34-L36 HydrophobicContact CB-CG 4.38Å
35G88.8Confident88.5Confident0 Ų025.6 Ų25.60%012%0.124CC..SBendtrans85.616.3-176.600000114.4T32 K33 L97 K100T32-G35 PolarHBondContact O-N 3Å; K33-G35 VanDerWaalsContact C-N 3.27Å; G35-L97 PolarHBondContact O-N 3.22Å; G35-K100 WeakPolarHBondContact CA-O 3.34Å; G35-K100 PolarHBondContact N-O 2.82Å
36L91.2Very high88.5Confident29 Ų2927.9 Ų27.915%0.15214%0.135CC..EExtended strand (participates in β ladder)trans-88.6128.1175.1-57.3175000110.2Y16 G31 T32 Q34 T96 I102Y16-L36 HydrophobicContact CD2-CD1 4.4Å; Y16-L36 HydrophobicContact CE1-CD1 4.4Å; Y16-L36 HydrophobicContact CE2-CD1 4.16Å; G31-L36 WeakPolarHBondContact CA-O 3.26Å; T32-L36 HydrophobicContact CG2-CB 4.28Å; T32-L36 PolarHBondContact N-O 3.4Å; T32-L36 WeakPolarHBondContact OG1-CB 3.4Å; T32-L36 PolarHBondContact OG1-N 3.39Å; Q34-L36 HydrophobicContact CB-CG 4.38Å; L36-T96 HydrophobicContact CD2-CG2 4.41Å; L36-T96 WeakPolarHBondContact CD2-OG1 3.45Å; L36-I102 WeakPolarHBondContact O-CD1 3.11Å
37L91.6Very high87.8Confident0 Ų031.8 Ų31.80%017%0.169CC..EExtended strand (participates in β ladder)trans-93.7126.9162.1175.469.2000108.6L29 V30 T94 R95 L97 I102 L105 L114 C130L29-L37 HydrophobicContact CB-CD1 4.33Å; V30-L37 WeakPolarHBondContact O-CA 3.44Å; L37-T94 WeakPolarHBondContact O-CA 3.37Å; L37-R95 PolarHBondContact N-O 2.81Å; L37-R95 PolarHBondContact O-N 2.89Å; L37-L97 HydrophobicContact CB-CD1 3.97Å; L37-L97 HydrophobicContact CB-CD2 4.24Å; L37-L97 HydrophobicContact CB-CG 3.86Å; L37-L97 HydrophobicContact CD2-CD1 4.23Å; L37-L97 HydrophobicContact CD2-CD2 4.32Å; L37-I102 HydrophobicContact CB-CD1 4.08Å; L37-L105 HydrophobicContact CD1-CD1 4.17Å; L37-L105 HydrophobicContact CD1-CD2 3.7Å; L37-L114 HydrophobicContact CD1-CD2 4.45Å; L37-L114 HydrophobicContact CD2-CD2 3.58Å; L37-C130 HydrophobicContact CD2-CB 4.19Å
38L89.9Confident87.2Confident9 Ų934.9 Ų34.95%0.04719%0.194CC..EExtended strand (participates in β ladder)trans-120.6132.4176-57126.4000109.1Y14 L29 V30 T32 Y40 T94Y14-L38 HydrophobicContact CE1-CD1 4.39Å; Y14-L38 WeakPolarHBondContact OH-CD1 3.42Å; Y14-L38 WeakPolarHBondContact OH-CD2 3.37Å; L29-L38 CarbonylContact C-O 3.54Å; L29-L38 WeakPolarHBondContact CA-O 3.44Å; V30-L38 HydrophobicContact CB-CB 4.37Å; V30-L38 PolarHBondContact N-O 2.82Å; V30-L38 PolarHBondContact O-N 3.47Å; T32-L38 HydrophobicContact CG2-CD1 3.58Å; L38-Y40 HydrophobicContact CB-CD2 4.36Å; L38-Y40 HydrophobicContact CB-CE2 3.72Å; L38-T94 HydrophobicContact CD2-CG2 3.96Å
39V91Very high86.7Confident1 Ų135.8 Ų35.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-113113.4177-172.70000108.2F27 L29 K92 I93F27-V39 HydrophobicContact CB-CG1 4.44Å; F27-V39 HydrophobicContact CD1-CG1 4.27Å; L29-V39 HydrophobicContact CD1-CG1 4.34Å; L29-V39 HydrophobicContact CD2-CG2 4.06Å; L29-V39 HydrophobicContact CG-CB 4.47Å; L29-V39 HydrophobicContact CG-CG1 4.12Å; L29-V39 HydrophobicContact CG-CG2 4.02Å; V39-K92 PolarHBondContact O-N 2.9Å; V39-I93 HydrophobicContact CB-CB 3.96Å; V39-I93 HydrophobicContact CG2-CB 3.86Å; V39-I93 HydrophobicContact CG2-CG2 4.47Å; V39-I93 PolarHBondContact N-O 2.89Å; V39-I93 PolarHBondContact O-N 2.85Å
40Y89.9Confident85.7Confident13 Ų1340 Ų405%0.05123%0.225CC..EExtended strand (participates in β ladder)trans-97.9136.3174.6-64.5-97.3000109.8L11 Y14 F27 L28 V30 L38 H90 V91L11-Y40 HydrophobicContact CD1-CD1 4.4Å; L11-Y40 HydrophobicContact CD1-CE1 3.67Å; Y14-Y40 WeakPolarHBondContact CE2-OH 3.27Å; F27-Y40 CarbonylContact C-O 3.47Å; F27-Y40 VanDerWaalsContact CA-O 3.28Å; F27-Y40 WeakPolarHBondContact CA-O 3.11Å; L28-Y40 PolarHBondContact N-O 2.79Å; L28-Y40 PolarHBondContact O-N 2.98Å; V30-Y40 HydrophobicContact CB-CE2 4.27Å; V30-Y40 HydrophobicContact CG2-CD2 3.83Å; V30-Y40 HydrophobicContact CG2-CE2 3.77Å; L38-Y40 HydrophobicContact CB-CD2 4.36Å; L38-Y40 HydrophobicContact CB-CE2 3.72Å; Y40-H90 CarbonylContact C-O 3.56Å; Y40-H90 WeakPolarHBondContact CA-O 3.32Å; Y40-V91 HydrophobicContact CD1-CG2 3.89Å; Y40-V91 HydrophobicContact CE1-CG2 3.54Å
41E88.8Confident85.1Confident51 Ų5143.4 Ų43.424%0.23824%0.241CC..EExtended strand (participates in β ladder)trans-100.9130.4167.7-175.3158.9-145.600109.1F27 H90 K92F27-E41 HydrophobicContact CD1-CB 4Å; F27-E41 HydrophobicContact CD1-CG 4.22Å; F27-E41 HydrophobicContact CE1-CB 3.72Å; F27-E41 VanDerWaalsContact CE1-CD 3.42Å; F27-E41 HydrophobicContact CE1-CG 3.57Å; F27-E41 WeakPolarHBondContact CE1-OE1 3.42Å; F27-E41 HydrophobicContact CZ-CG 4.19Å; F27-E41 VanDerWaalsContact CZ-OE1 3.28Å; F27-E41 WeakPolarHBondContact CZ-OE1 3.14Å; E41-H90 PolarHBondContact N-O 3.35Å; E41-H90 PolarHBondContact O-N 2.85Å; E41-K92 HydrophobicContact CB-CD 4.41Å; E41-K92 IonicContact OE1-NZ 2.93Å; E41-K92 PolarHBondContact OE1-NZ 2.78Å; E41-K92 WeakPolarHBondContact OE2-CD 3.36Å; E41-K92 WeakPolarHBondContact OE2-CE 3.2Å; E41-K92 IonicContact OE2-NZ 2.71Å; E41-K92 PolarHBondContact OE2-NZ 2.76Å
42L87.1Confident84.7Confident0 Ų044.7 Ų44.70%025%0.247CC..EExtended strand (participates in β ladder)trans-109.7133.5179.6-81.8149.6000111.1L10 N26 L28 L57 F87 T89 W438 Y440L10-L42 HydrophobicContact CD1-CD1 3.85Å; L10-L42 HydrophobicContact CD1-CD2 3.74Å; L10-L42 HydrophobicContact CD1-CG 4.38Å; L10-L42 HydrophobicContact CD2-CD2 3.72Å; L10-L42 HydrophobicContact CG-CD2 4.39Å; N26-L42 PolarHBondContact ND2-O 2.82Å; N26-L42 PolarHBondContact O-N 2.83Å; L28-L42 HydrophobicContact CB-CD1 4.35Å; L42-L57 WeakPolarHBondContact O-CD2 3.11Å; L42-F87 HydrophobicContact CD2-CB 3.94Å; L42-F87 HydrophobicContact CD2-CG 4.39Å; L42-T89 HydrophobicContact CD2-CG2 3.49Å; L42-T89 VanDerWaalsContact CD2-CG2 3.49Å; L42-T89 HydrophobicContact CG-CG2 4.29Å; L42-W438 HydrophobicContact CB-CH2 3.96Å; L42-W438 HydrophobicContact CB-CZ3 4.22Å; L42-W438 HydrophobicContact CD1-CZ3 4.4Å; L42-Y440 HydrophobicContact CD1-CE1 3.48Å; L42-Y440 VanDerWaalsContact CD1-CE1 3.48Å; L42-Y440 WeakPolarHBondContact CD1-OH 3.35Å
43T85.4Confident84.4Confident43 Ų4346.3 Ų46.326%0.26425%0.254SS..EExtended strand (participates in β ladder)trans-131.3126.1171.753.20000110L57 F87 F88T43-L57 HydrophobicContact CG2-CD2 4.42Å; T43-F87 CarbonylContact O-C 3.54Å; T43-F87 WeakPolarHBondContact O-CA 3.4Å; T43-F88 PolarHBondContact N-O 3.36Å; T43-F88 VanDerWaalsContact N-O 3.17Å; T43-F88 PolarHBondContact O-N 2.81Å
44P84.3Confident84.2Confident28 Ų2842.1 Ų42.118%0.18224%0.236CC..EExtended strand (participates in β ladder)trans-73.6145.9176.931.5-34.2000110.5I46 I54 F87P44-I46 VanDerWaalsContact C-N 3.29Å; P44-I54 HydrophobicContact CB-CG2 3.54Å; P44-I54 HydrophobicContact CG-CG2 3.73Å; P44-F87 HydrophobicContact CB-CD1 3.87Å; P44-F87 HydrophobicContact CB-CE1 3.74Å
45K82.4Confident83.7Confident109 Ų10938.4 Ų38.447%0.47422%0.219SC..SBendtrans-76.8-16.7176.9-59-160.9-164.3169.90113.9T86 F88K45-T86 VanDerWaalsContact CD-OG1 3.31Å; K45-T86 WeakPolarHBondContact CD-OG1 3.39Å; K45-T86 WeakPolarHBondContact CG-O 3.36Å; K45-T86 PolarHBondContact N-O 3.48Å; K45-F88 HydrophobicContact CD-CD2 4.39Å; K45-F88 HydrophobicContact CD-CE1 4.26Å; K45-F88 HydrophobicContact CD-CE2 3.83Å; K45-F88 HydrophobicContact CD-CZ 3.75Å; K45-F88 HydrophobicContact CG-CD2 3.86Å; K45-F88 HydrophobicContact CG-CE2 3.58Å; K45-F88 HydrophobicContact CG-CZ 4.06Å
46I80.7Confident82.9Confident84 Ų8442.6 Ų42.643%0.43124%0.241SC..SBendtrans-134.1136.4179.8-42.7178.2000106.8P44 S48 I54P44-I46 VanDerWaalsContact C-N 3.29Å; I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 WeakPolarHBondContact CG2-O 3.36Å; I46-S48 PolarHBondContact O-N 2.67Å; I46-I54 WeakPolarHBondContact O-CD1 3.46Å
47A72.2Confident81.9Confident94 Ų9445.1 Ų45.178%0.77726%0.255SS*.SBendtrans-72.5-20.4-177.100000113.8
48S75Confident80.4Confident89 Ų8948.2 Ų48.262%0.62228%0.276SS*.  trans-151.5157.4-179.656.70000111.1I46I46-S48 VanDerWaalsContact C-N 3.29Å; I46-S48 WeakPolarHBondContact CG2-O 3.36Å; I46-S48 PolarHBondContact O-N 2.67Å
49H80.5Confident78.7Confident23 Ų2350.5 Ų50.511%0.10629%0.292CS..  trans-137.4139.4173.2-172.9-90.1000108.6E51 F52 I54 T82 P83H49-E51 VanDerWaalsContact C-N 3.3Å; H49-E51 PolarHBondContact ND1-N 3.09Å; H49-E51 PolarHBondContact O-N 2.88Å; H49-F52 WeakPolarHBondContact CB-O 3.46Å; H49-F52 AromaticContact CE1-CD2 3.55Å; H49-F52 AromaticContact ND1-CD2 3.44Å; H49-F52 WeakPolarHBondContact ND1-CD2 2.73Å; H49-F52 PolarHBondContact ND1-N 3.37Å; H49-F52 VanDerWaalsContact O-O 3.11Å; H49-I54 HydrophobicContact CB-CD1 4.08Å; H49-I54 HydrophobicContact CB-CG1 4.34Å; H49-T82 PolarHBondContact CE1-OG1 2.83Å; H49-T82 PolarHBondContact NE2-OG1 2.94Å; H49-P83 PolarHBondContact NE2-O 2.89Å
50P73.4Confident76.7Confident88 Ų8856.4 Ų56.457%0.57132%0.323SS*.SBendtrans-64.1-33.4-173.323-33.8000113.4T82P50-T82 HydrophobicContact CG-CG2 4.46Å
51E78.7Confident74.4Confident71 Ų7163 Ų6333%0.33236%0.359SS..SBendtrans-101-21.6-173.8-49.1-149.5104.100114.3H49 A493 S494 K497H49-E51 VanDerWaalsContact C-N 3.3Å; H49-E51 PolarHBondContact ND1-N 3.09Å; H49-E51 PolarHBondContact O-N 2.88Å; E51-A493 WeakPolarHBondContact O-CA 3.47Å; E51-S494 PolarHBondContact O-N 3.02Å; E51-K497 IonicContact OE1-NZ 2.87Å; E51-K497 PolarHBondContact OE1-NZ 2.9Å
52F82.9Confident72.3Confident28 Ų2866.5 Ų66.512%0.12338%0.379CS..BIsolated β-bridgetrans-131.2137.5-169.1-59.9-59.8000110.2V6 H49 I54 L84V6-F52 HydrophobicContact CB-CD1 4.09Å; V6-F52 HydrophobicContact CB-CE1 3.72Å; V6-F52 HydrophobicContact CB-CZ 4.01Å; V6-F52 HydrophobicContact CG1-CB 4.45Å; V6-F52 HydrophobicContact CG1-CD1 3.45Å; V6-F52 VanDerWaalsContact CG1-CD1 3.45Å; V6-F52 HydrophobicContact CG1-CD2 4.08Å; V6-F52 HydrophobicContact CG1-CE1 3.61Å; V6-F52 HydrophobicContact CG1-CE2 4.23Å; V6-F52 HydrophobicContact CG1-CG 3.73Å; V6-F52 HydrophobicContact CG1-CZ 4.02Å; V6-F52 HydrophobicContact CG2-CE1 4.49Å; V6-F52 HydrophobicContact CG2-CZ 4.29Å; H49-F52 WeakPolarHBondContact CB-O 3.46Å; H49-F52 AromaticContact CE1-CD2 3.55Å; H49-F52 AromaticContact ND1-CD2 3.44Å; H49-F52 WeakPolarHBondContact ND1-CD2 2.73Å; H49-F52 PolarHBondContact ND1-N 3.37Å; H49-F52 VanDerWaalsContact O-O 3.11Å; F52-I54 PolarHBondContact O-N 3.08Å; F52-L84 HydrophobicContact CE2-CD2 4.01Å
53F82.9Confident70.5Confident34 Ų3473.2 Ų73.215%0.14941%0.41CS..  trans-76.5126.7175179-119.2000110.3P55 S492 S521 G522 Q523F53-P55 HydrophobicContact CD1-CG 4.21Å; F53-P55 HydrophobicContact CE1-CB 4.2Å; F53-P55 HydrophobicContact CE1-CG 4.07Å; F53-S492 PolarHBondContact N-O 3.46Å; F53-S521 WeakPolarHBondContact CD1-O 3.02Å; F53-S521 WeakPolarHBondContact CE1-O 3.35Å; F53-G522 VanDerWaalsContact CZ-C 3.48Å; F53-G522 WeakPolarHBondContact CZ-O 3.24Å; F53-Q523 VanDerWaalsContact CB-CD 3.47Å; F53-Q523 HydrophobicContact CB-CG 3.82Å; F53-Q523 HydrophobicContact CD1-CG 3.5Å; F53-Q523 HydrophobicContact CD2-CG 3.42Å; F53-Q523 VanDerWaalsContact CD2-CG 3.42Å; F53-Q523 HydrophobicContact CE1-CG 3.81Å; F53-Q523 HydrophobicContact CE2-CG 3.74Å; F53-Q523 HydrophobicContact CG-CG 3.27Å; F53-Q523 HydrophobicContact CZ-CG 3.92Å
54I83.1Confident69.2Low9 Ų973.4 Ų73.45%0.04641%0.41CS..  trans-98.7114167.7-60.4-178.2000106.4P44 I46 H49 F52 P85 F87P44-I54 HydrophobicContact CB-CG2 3.54Å; P44-I54 HydrophobicContact CG-CG2 3.73Å; I46-I54 WeakPolarHBondContact O-CD1 3.46Å; H49-I54 HydrophobicContact CB-CD1 4.08Å; H49-I54 HydrophobicContact CB-CG1 4.34Å; F52-I54 PolarHBondContact O-N 3.08Å; I54-P85 HydrophobicContact CD1-CB 3.92Å; I54-P85 HydrophobicContact CG1-CB 4.32Å; I54-F87 HydrophobicContact CG2-CE1 4.47Å
55P77.7Confident68.1Low4 Ų478.3 Ų78.33%0.02643%0.428CS..  trans-56.1143.4177.7-31.539.2000113.8F53 C436 G437 W438F53-P55 HydrophobicContact CD1-CG 4.21Å; F53-P55 HydrophobicContact CE1-CB 4.2Å; F53-P55 HydrophobicContact CE1-CG 4.07Å; P55-C436 WeakPolarHBondContact CB-O 3.19Å; P55-G437 WeakPolarHBondContact CG-O 3.21Å; P55-W438 HydrophobicContact CB-CD2 3.81Å; P55-W438 HydrophobicContact CB-CG 3.78Å; P55-W438 HydrophobicContact CB-CZ2 4.29Å; P55-W438 HydrophobicContact CG-CD2 3.94Å; P55-W438 HydrophobicContact CG-CE3 4.37Å; P55-W438 HydrophobicContact CG-CG 3.97Å
56N73.2Confident67.2Low87 Ų8774.7 Ų74.747%0.46541%0.413SS..  trans-63.4149.8172-74.3-46.1000111.1S58 W438N56-S58 VanDerWaalsContact C-N 3.28Å; N56-S58 PolarHBondContact O-N 2.85Å; N56-W438 PolarHBondContact O-NE1 2.85Å
57L68.4Low66.7Low83 Ų8373.5 Ų73.544%0.43541%0.407SS..SBendtrans-73.4-14.4-177.1-73.4169.8000114.3N26 L42 T43N26-L57 HydrophobicContact CB-CD2 3.77Å; N26-L57 PolarHBondContact OD1-O 3.42Å; L42-L57 WeakPolarHBondContact O-CD2 3.11Å; T43-L57 HydrophobicContact CG2-CD2 4.42Å
58S61.7Low66.7Low64 Ų6472.4 Ų72.445%0.44839%0.392SS..  trans-145.1142.2179.259.10000112D25 N56D25-S58 WeakPolarHBondContact OD1-CA 3.37Å; N56-S58 VanDerWaalsContact C-N 3.28Å; N56-S58 PolarHBondContact O-N 2.85Å
59C53.9Low66.7Low57 Ų5768.5 Ų68.539%0.38536%0.363SS..  trans-9614.8-175.5-52.80000113.7D25 C436D25-C59 WeakPolarHBondContact OD1-CB 3.35Å; D25-C59 PolarHBondContact OD1-N 3.21Å; D25-C59 PolarHBondContact OD1-SG 3.24Å; D25-C59 VanDerWaalsContact OD1-SG 3.41Å; C59-C436 WeakPolarHBondContact CA-SG 3.32Å; C59-C436 WeakPolarHBondContact CB-SG 3.44Å; C59-C436 PolarHBondContact N-SG 2.89Å; C59-C436 WeakPolarHBondContact SG-CB 3.43Å; C59-C436 PolarHBondContact SG-N 3Å; C59-C436 CovalentContact SG-SG 2.04Å; C59-C436 PolarHBondContact SG-SG 3.34Å
60L47.8Very low66.2Low126 Ų12673 Ų7366%0.6638%0.383SS*.SBendtrans-89.1120.8-173.2-80.7151.3000113N62L60-N62 VanDerWaalsContact C-N 3.33Å; L60-N62 PolarHBondContact O-N 2.95Å
61N42.6Very low65.7Low151 Ų15172.8 Ų72.881%0.80738%0.377SS*.SBendtrans58.211.4158.2-66.4-3.4000120.5H63N61-H63 PolarHBondContact O-N 3.35Å
62N44.8Very low64.5Low124 Ų12474.9 Ų74.966%0.66339%0.387SS*.  trans-80.1109.6172.7-80.1-38.4000112.9L60 L64L60-N62 VanDerWaalsContact C-N 3.33Å; L60-N62 PolarHBondContact O-N 2.95Å; N62-L64 PolarHBondContact O-N 3.38Å; N62-L64 VanDerWaalsContact O-N 3.12Å
63H49.4Very low63Low141 Ų14177.7 Ų77.765%0.65340%0.402SS*.  trans-67102.9169.4-78.2-80.7000111.2N61 K65 Y350N61-H63 PolarHBondContact O-N 3.35Å; H63-K65 PolarHBondContact O-N 3.42Å; H63-Y350 HydrophobicContact CB-CD2 4.46Å; H63-Y350 HydrophobicContact CB-CE2 3.89Å; H63-Y350 AromaticContact ND1-CD2 3.23Å; H63-Y350 WeakPolarHBondContact ND1-CD2 3.18Å; H63-Y350 AromaticContact ND1-CE2 3.47Å; H63-Y350 WeakPolarHBondContact ND1-CE2 3.35Å
64L58.1Low61.1Low47 Ų4783.6 Ų83.625%0.24643%0.43CS..  trans-61.7102.2177.2-62.2176.4000111.6N62 Y350 N524N62-L64 PolarHBondContact O-N 3.38Å; N62-L64 VanDerWaalsContact O-N 3.12Å; L64-Y350 WeakPolarHBondContact O-CE1 3.44Å; L64-Y350 PolarHBondContact O-OH 3.44Å; L64-N524 WeakPolarHBondContact CA-OD1 3.12Å; L64-N524 WeakPolarHBondContact CB-OD1 3.47Å; L64-N524 VanDerWaalsContact CD2-OD1 3.3Å; L64-N524 WeakPolarHBondContact CD2-OD1 3.49Å
65K59.8Low58.9Low131 Ų13188.9 Ų88.957%0.5747%0.468SS*.PPolyproline II helixtrans-70.9140.7173.8-64.2-177.9-178.3179.20109.9H63 N524H63-K65 PolarHBondContact O-N 3.42Å; K65-N524 VanDerWaalsContact O-CB 3.26Å; K65-N524 WeakPolarHBondContact O-CB 3.4Å; K65-N524 PolarHBondContact O-OD1 2.98Å
66E63.7Low56.9Low34 Ų3495.1 Ų95.116%0.15950%0.501CS..PPolyproline II helixtrans-63.9147.2168.7-77.8170.9-13000110.8P525 E527 I628E66-P525 WeakPolarHBondContact CA-O 3.36Å; E66-P525 HydrophobicContact CB-CG 4.38Å; E66-P525 HydrophobicContact CG-CB 3.67Å; E66-P525 HydrophobicContact CG-CG 3.42Å; E66-P525 VanDerWaalsContact CG-CG 3.42Å; E66-E527 HydrophobicContact CB-CG 4.22Å; E66-I628 HydrophobicContact CB-CB 4.17Å; E66-I628 HydrophobicContact CB-CD1 3.6Å; E66-I628 HydrophobicContact CB-CG1 4.38Å; E66-I628 HydrophobicContact CB-CG2 3.54Å; E66-I628 HydrophobicContact CG-CB 4.34Å; E66-I628 HydrophobicContact CG-CD1 3.72Å; E66-I628 HydrophobicContact CG-CG1 4.4Å; E66-I628 HydrophobicContact CG-CG2 4.23Å
67I72Confident55Low59 Ų5995 Ų9530%0.30351%0.512SS..BIsolated β-bridgetrans-103.3130.3175.2-61.2173.4000108.4F69 L496 N524 P525 V526 E527I67-F69 PolarHBondContact O-N 3.09Å; I67-L496 HydrophobicContact CG2-CD1 4.42Å; I67-L496 HydrophobicContact CG2-CD2 4.23Å; I67-N524 HydrophobicContact CD1-CB 3.72Å; I67-N524 HydrophobicContact CG1-CB 3.91Å; I67-P525 PolarHBondContact N-O 3.29Å; I67-V526 WeakPolarHBondContact O-CA 3.46Å; I67-E527 PolarHBondContact O-N 2.68Å
68P71Confident53.2Low70 Ų7096.7 Ų96.746%0.45554%0.538SS..PPolyproline II helixtrans-65.1130.5175.225.5-33.8000111.7K70 E527P68-K70 PolarHBondContact O-N 3.36Å; P68-K70 VanDerWaalsContact O-N 3.13Å; P68-E527 WeakPolarHBondContact CA-OE2 3.18Å; P68-E527 WeakPolarHBondContact CB-OE2 3.41Å
69F75.6Confident52Low7 Ų798.8 Ų98.83%0.03155%0.553CS.*  trans-75.9101.8178.2-177.9-95.5000110.4I67 N71 L496 I499 Q500 V503 V526 Q530 I531I67-F69 PolarHBondContact O-N 3.09Å; F69-N71 HydrophobicContact CE1-CB 4.12Å; F69-N71 WeakPolarHBondContact CE1-OD1 3.42Å; F69-L496 HydrophobicContact CD2-CD1 4.21Å; F69-I499 HydrophobicContact CD2-CG2 3.91Å; F69-I499 HydrophobicContact CE2-CB 4.47Å; F69-I499 HydrophobicContact CE2-CG2 3.65Å; F69-Q500 HydrophobicContact CD2-CG 4.46Å; F69-Q500 HydrophobicContact CE2-CB 4.37Å; F69-Q500 HydrophobicContact CE2-CG 3.56Å; F69-Q500 HydrophobicContact CZ-CG 3.97Å; F69-V503 HydrophobicContact CE1-CG2 4.44Å; F69-V503 HydrophobicContact CE2-CG2 4.42Å; F69-V503 HydrophobicContact CZ-CB 4.14Å; F69-V503 HydrophobicContact CZ-CG1 4.31Å; F69-V503 HydrophobicContact CZ-CG2 3.85Å; F69-V526 HydrophobicContact CB-CG1 3.91Å; F69-V526 HydrophobicContact CD2-CG1 4.12Å; F69-V526 HydrophobicContact CG-CG1 4.49Å; F69-Q530 HydrophobicContact CB-CB 4.37Å; F69-Q530 HydrophobicContact CD1-CB 3.97Å; F69-Q530 HydrophobicContact CD1-CG 3.82Å; F69-Q530 HydrophobicContact CE1-CG 4.48Å; F69-I531 HydrophobicContact CB-CG1 4.43Å; F69-I531 HydrophobicContact CD1-CG1 4.02Å; F69-I531 HydrophobicContact CD2-CD1 4.16Å; F69-I531 HydrophobicContact CD2-CG1 4.19Å; F69-I531 HydrophobicContact CE1-CG1 4.36Å; F69-I531 HydrophobicContact CG-CD1 4.26Å; F69-I531 HydrophobicContact CG-CG1 3.93Å
70K69.5Low51.4Low117 Ų117100.8 Ų100.851%0.50957%0.567SS.*  trans-87.8127.5167.8-72.1-169.1159.7-143.80110.6P68 E72 Q500P68-K70 PolarHBondContact O-N 3.36Å; P68-K70 VanDerWaalsContact O-N 3.13Å; K70-E72 IonicContact NZ-OE2 2.74Å; K70-E72 PolarHBondContact NZ-OE2 3.43Å; K70-E72 VanDerWaalsContact NZ-OE2 3.13Å; K70-E72 PolarHBondContact O-N 3.48Å; K70-Q500 PolarHBondContact O-NE2 3.36Å
71N62Low51.7Low84 Ų84100.7 Ų100.745%0.44957%0.574SS.*  trans-84.715.9172.8-15064.1000113F69F69-N71 HydrophobicContact CE1-CB 4.12Å; F69-N71 WeakPolarHBondContact CE1-OD1 3.42Å
72E55.5Low52.6Low115 Ų11596.3 Ų96.354%0.53755%0.553SS.*  trans-90.295174.2-73.7151.8-152.100108.8K70 Q74K70-E72 IonicContact NZ-OE2 2.74Å; K70-E72 PolarHBondContact NZ-OE2 3.43Å; K70-E72 VanDerWaalsContact NZ-OE2 3.13Å; K70-E72 PolarHBondContact O-N 3.48Å; E72-Q74 PolarHBondContact O-N 3.14Å
73I50.7Low54Low87 Ų8795.3 Ų95.345%0.44655%0.553SS.*  trans-79105.7156.6-65.8168.1000105.5S75 Q500 E504I73-S75 PolarHBondContact O-N 2.91Å; I73-S75 VanDerWaalsContact O-N 3.17Å; I73-Q500 HydrophobicContact CD1-CB 4.46Å; I73-E504 HydrophobicContact CD1-CG 4.27Å; I73-E504 VanDerWaalsContact CD1-OE1 3.25Å; I73-E504 WeakPolarHBondContact CD1-OE1 3.42Å
74Q42.3Very low55.5Low158 Ų15893.2 Ų93.274%0.73855%0.546SS*.  trans-61.6119.8170.7-74.3-178.7-53.200108.2E72 D76E72-Q74 PolarHBondContact O-N 3.14Å; Q74-D76 PolarHBondContact O-N 2.89Å
75S37Very low56.5Low121 Ų12191 Ų9185%0.84654%0.535SS*.  trans-77.153.7178.961.80000111I73I73-S75 PolarHBondContact O-N 2.91Å; I73-S75 VanDerWaalsContact O-N 3.17Å
76D35.4Very low57.6Low135 Ų13587.9 Ų87.972%0.72253%0.527SS*.  trans-64.9136.9175.5-83.4-4.7000109.6Q74Q74-D76 PolarHBondContact O-N 2.89Å
77A33.1Very low58.7Low84 Ų8487.3 Ų87.369%0.69452%0.524SS*.  trans-61156.1-160.500000114.4S79A77-S79 WeakPolarHBondContact O-CB 3.29Å; A77-S79 PolarHBondContact O-N 2.93Å; A77-S79 PolarHBondContact O-OG 3.34Å
78A31.4Very low59.2Low118 Ų11889.6 Ų89.698%0.97553%0.532SS*.  trans-43.8110.9177.900000112
79S36.1Very low59.8Low109 Ų10988.8 Ų88.876%0.76253%0.526SS*.  trans-130157.8-17236.20000111A77A77-S79 WeakPolarHBondContact O-CB 3.29Å; A77-S79 PolarHBondContact O-N 2.93Å; A77-S79 PolarHBondContact O-OG 3.34Å
80S41.8Very low60.2Low99 Ų9993.6 Ų93.669%0.69255%0.548SS*.PPolyproline II helixtrans-65.7154.5-16941.90000113.5T82S80-T82 PolarHBondContact O-N 2.94Å; S80-T82 VanDerWaalsContact O-N 3.16Å
81P54.8Low60.9Low124 Ų12491.9 Ų91.981%0.80555%0.547SS*.PPolyproline II helixtrans-57.2121.6178.623.3-34.5000111
82T61.3Low61.9Low59 Ų5993 Ų9336%0.36255%0.548SS..PPolyproline II helixtrans-66.5136.2-178.3620000110.8H49 P50 S80 L84H49-T82 PolarHBondContact CE1-OG1 2.83Å; H49-T82 PolarHBondContact NE2-OG1 2.94Å; P50-T82 HydrophobicContact CG-CG2 4.46Å; S80-T82 PolarHBondContact O-N 2.94Å; S80-T82 VanDerWaalsContact O-N 3.16Å; T82-L84 PolarHBondContact O-N 3.43Å
83P74.4Confident63.4Low103 Ų10389.1 Ų89.167%0.66953%0.531SS*.PPolyproline II helixtrans-72132-176.728.7-34.1000110.7H49H49-P83 PolarHBondContact NE2-O 2.89Å
84L79.2Confident65.1Low96 Ų9688.9 Ų88.950%0.50353%0.533SS..PPolyproline II helixtrans-51.2138178.7-69.9174.6000111.7V6 F52 T82V6-L84 HydrophobicContact CG2-CD2 3.81Å; F52-L84 HydrophobicContact CE2-CD2 4.01Å; T82-L84 PolarHBondContact O-N 3.43Å
85P81Confident67.3Low1 Ų185.8 Ų85.81%0.00652%0.515CS..PPolyproline II helixtrans-61.6140.5179.625.7-34.2000110.8I8 I54 L491I8-P85 HydrophobicContact CD1-CG 3.89Å; I54-P85 HydrophobicContact CD1-CB 3.92Å; I54-P85 HydrophobicContact CG1-CB 4.32Å; P85-L491 HydrophobicContact CB-CD1 4.36Å; P85-L491 HydrophobicContact CG-CD1 3.46Å; P85-L491 VanDerWaalsContact CG-CD1 3.46Å
86T82.8Confident69.8Low66 Ų6684.8 Ų84.841%0.40550%0.504SS..  trans-120.4156.7-17955.60000111.4K45K45-T86 VanDerWaalsContact CD-OG1 3.31Å; K45-T86 WeakPolarHBondContact CD-OG1 3.39Å; K45-T86 WeakPolarHBondContact CG-O 3.36Å; K45-T86 PolarHBondContact N-O 3.48Å
87F85.1Confident72.2Confident22 Ų2279.4 Ų79.410%0.09648%0.475CS..EExtended strand (participates in β ladder)trans-126.9154.4-174.4-59-91.4000110I8 L10 L42 T43 P44 I54 W438 V489 L491I8-F87 HydrophobicContact CD1-CE2 4.23Å; L10-F87 HydrophobicContact CD2-CB 4.17Å; L10-F87 HydrophobicContact CD2-CD2 4.23Å; L10-F87 HydrophobicContact CD2-CG 4.37Å; L42-F87 HydrophobicContact CD2-CB 3.94Å; L42-F87 HydrophobicContact CD2-CG 4.39Å; T43-F87 CarbonylContact O-C 3.54Å; T43-F87 WeakPolarHBondContact O-CA 3.4Å; P44-F87 HydrophobicContact CB-CD1 3.87Å; P44-F87 HydrophobicContact CB-CE1 3.74Å; I54-F87 HydrophobicContact CG2-CE1 4.47Å; F87-W438 AromaticContact CD1-CH2 3.73Å; F87-W438 HydrophobicContact CD1-CH2 3.73Å; F87-W438 AromaticContact CD1-CZ3 3.86Å; F87-W438 HydrophobicContact CD1-CZ3 3.86Å; F87-W438 AromaticContact CE1-CH2 3.48Å; F87-W438 HydrophobicContact CE1-CH2 3.48Å; F87-W438 VanDerWaalsContact CE1-CH2 3.48Å; F87-W438 AromaticContact CE1-CZ3 3.51Å; F87-W438 HydrophobicContact CE1-CZ3 3.51Å; F87-W438 HydrophobicContact CZ-CZ3 4.24Å; F87-V489 HydrophobicContact CE2-CG1 4.48Å; F87-L491 HydrophobicContact CE2-CD1 4.14Å; F87-L491 HydrophobicContact CZ-CD1 3.9Å; F87-L491 HydrophobicContact CZ-CD2 3.95Å; F87-L491 HydrophobicContact CZ-CG 4.38Å
88F83.9Confident74.6Confident106 Ų10675.9 Ų75.947%0.46545%0.447SS..EExtended strand (participates in β ladder)trans-96.4143158.4-61.4-75.8000109.2T43 K45T43-F88 PolarHBondContact N-O 3.36Å; T43-F88 VanDerWaalsContact N-O 3.17Å; T43-F88 PolarHBondContact O-N 2.81Å; K45-F88 HydrophobicContact CD-CD2 4.39Å; K45-F88 HydrophobicContact CD-CE1 4.26Å; K45-F88 HydrophobicContact CD-CE2 3.83Å; K45-F88 HydrophobicContact CD-CZ 3.75Å; K45-F88 HydrophobicContact CG-CD2 3.86Å; K45-F88 HydrophobicContact CG-CE2 3.58Å; K45-F88 HydrophobicContact CG-CZ 4.06Å
89T83.7Confident77.2Confident53 Ų5379.3 Ų79.333%0.32544%0.44SS..EExtended strand (participates in β ladder)trans-121.8111-178.835.30000109.4L10 L42L10-T89 HydrophobicContact CB-CG2 4.37Å; L10-T89 HydrophobicContact CD1-CG2 4.37Å; L10-T89 HydrophobicContact CD2-CG2 4.23Å; L42-T89 HydrophobicContact CD2-CG2 3.49Å; L42-T89 VanDerWaalsContact CD2-CG2 3.49Å; L42-T89 HydrophobicContact CG-CG2 4.29Å
90H83.7Confident79.6Confident109 Ų10980 Ų8051%0.50543%0.429SS..EExtended strand (participates in β ladder)trans-112.9126.7-179.5-67.2-84.3000110.8Y40 E41 K92Y40-H90 CarbonylContact C-O 3.56Å; Y40-H90 WeakPolarHBondContact CA-O 3.32Å; E41-H90 PolarHBondContact N-O 3.35Å; E41-H90 PolarHBondContact O-N 2.85Å; H90-K92 PolarHBondContact O-N 3.48Å
91V84.4Confident81.7Confident81 Ų8177.3 Ų77.349%0.49141%0.409SS..EExtended strand (participates in β ladder)trans-75.9114.7171.5-178.80000108.4Y40Y40-V91 HydrophobicContact CD1-CG2 3.89Å; Y40-V91 HydrophobicContact CE1-CG2 3.54Å
92K83.2Confident83.4Confident108 Ų10871.4 Ų71.447%0.4737%0.371SS..EExtended strand (participates in β ladder)trans-95.4-39-176.1-167.1170.6-162.5148.80112.7F27 V39 E41 H90F27-K92 HydrophobicContact CD1-CD 4.23Å; F27-K92 HydrophobicContact CE1-CD 3.56Å; F27-K92 HydrophobicContact CZ-CD 4.44Å; V39-K92 PolarHBondContact O-N 2.9Å; E41-K92 HydrophobicContact CB-CD 4.41Å; E41-K92 IonicContact OE1-NZ 2.93Å; E41-K92 PolarHBondContact OE1-NZ 2.78Å; E41-K92 WeakPolarHBondContact OE2-CD 3.36Å; E41-K92 WeakPolarHBondContact OE2-CE 3.2Å; E41-K92 IonicContact OE2-NZ 2.71Å; E41-K92 PolarHBondContact OE2-NZ 2.76Å; H90-K92 PolarHBondContact O-N 3.48Å
93I85.5Confident84.8Confident33 Ų3372 Ų7217%0.16938%0.375CS..EExtended strand (participates in β ladder)trans-141.9135.9179.2-55.6178.3000109V39 R95V39-I93 HydrophobicContact CB-CB 3.96Å; V39-I93 HydrophobicContact CG2-CB 3.86Å; V39-I93 HydrophobicContact CG2-CG2 4.47Å; V39-I93 PolarHBondContact N-O 2.89Å; V39-I93 PolarHBondContact O-N 2.85Å; I93-R95 HydrophobicContact CG2-CG 3.82Å
94T87.2Confident85.6Confident81 Ų8169.4 Ų69.450%0.49735%0.353SS..EExtended strand (participates in β ladder)trans-123.6127.9163.6-570000107.9L37 L38L37-T94 WeakPolarHBondContact O-CA 3.37Å; L38-T94 HydrophobicContact CD2-CG2 3.96Å
95R88Confident86.3Confident94 Ų9465.2 Ų65.236%0.35533%0.332SS..EExtended strand (participates in β ladder)trans-139.6142.9176.9-74.3-173.8-177-146-8.4111.7L37 I93 L97 N129 C130L37-R95 PolarHBondContact N-O 2.81Å; L37-R95 PolarHBondContact O-N 2.89Å; I93-R95 HydrophobicContact CG2-CG 3.82Å; R95-L97 HydrophobicContact CB-CD2 4.41Å; R95-N129 PolarHBondContact NE-O 2.9Å; R95-N129 PolarHBondContact NH1-O 3.13Å; R95-N129 PolarHBondContact NH2-O 2.81Å; R95-C130 WeakPolarHBondContact CD-O 3.39Å; R95-C130 PolarHBondContact NH1-O 3.15Å
96T89.2Confident86.8Confident99 Ų9966.4 Ų66.461%0.60734%0.339SS*.EExtended strand (participates in β ladder)trans-87.6115.7170.6-49.80000108.8L36 G98L36-T96 HydrophobicContact CD2-CG2 4.41Å; L36-T96 WeakPolarHBondContact CD2-OG1 3.45Å; T96-G98 WeakPolarHBondContact CG2-O 3.36Å
97L87.5Confident87.2Confident23 Ų2363.9 Ų63.912%0.1233%0.325CS..  trans-90.1-15.9174.8-54.4-167000112.6G35 L37 R95 I102 A116 A118 Y125G35-L97 PolarHBondContact O-N 3.22Å; L37-L97 HydrophobicContact CB-CD1 3.97Å; L37-L97 HydrophobicContact CB-CD2 4.24Å; L37-L97 HydrophobicContact CB-CG 3.86Å; L37-L97 HydrophobicContact CD2-CD1 4.23Å; L37-L97 HydrophobicContact CD2-CD2 4.32Å; R95-L97 HydrophobicContact CB-CD2 4.41Å; L97-I102 HydrophobicContact CB-CD1 4.21Å; L97-I102 HydrophobicContact CB-CG1 4.32Å; L97-I102 HydrophobicContact CD1-CD1 3.74Å; L97-I102 HydrophobicContact CD1-CG1 4.19Å; L97-I102 HydrophobicContact CG-CD1 3.97Å; L97-A116 HydrophobicContact CD1-CB 3.8Å; L97-A118 HydrophobicContact CB-CB 4.18Å; L97-Y125 HydrophobicContact CD1-CE2 4.23Å; L97-Y125 HydrophobicContact CD2-CD1 4.47Å; L97-Y125 HydrophobicContact CD2-CE1 3.87Å; L97-Y125 HydrophobicContact CD2-CE2 4.43Å
98G83.1Confident87.3Confident10 Ų1063 Ų6310%0.10332%0.321CS..  trans178-173.117700000111.8T96 E119T96-G98 WeakPolarHBondContact CG2-O 3.36Å; G98-E119 WeakPolarHBondContact CA-OE1 3.32Å
99K84.7Confident87.4Confident190 Ų19060.8 Ų60.883%0.82632%0.317SS*.SBendtrans-99.98174.1-59.7-176.2-179.1-179.20113.5E119K99-E119 PolarHBondContact N-OE1 2.9Å
100K86.4Confident87.3Confident122 Ų12262 Ų6253%0.5332%0.319SS..SBendtrans-125.8162.2-177.9-70.9-178.3175.7179.20109.5K33 G35 I102 E119K33-K100 CarbonylContact O-C 3.58Å; G35-K100 WeakPolarHBondContact CA-O 3.34Å; G35-K100 PolarHBondContact N-O 2.82Å; K100-I102 PolarHBondContact O-N 2.81Å; K100-E119 HydrophobicContact CB-CG 4.34Å; K100-E119 HydrophobicContact CD-CB 4.41Å
101P86.7Confident87.3Confident43 Ų4358.5 Ų58.528%0.27930%0.303SS..  trans-49.5140176.3-27.433.1000112.9E19 K33 T103E19-P101 HydrophobicContact CG-CB 4.31Å; K33-P101 HydrophobicContact CB-CG 4.13Å; K33-P101 HydrophobicContact CG-CG 4.45Å; K33-P101 WeakPolarHBondContact O-CA 3.35Å; K33-P101 VanDerWaalsContact O-CD 3.27Å; K33-P101 WeakPolarHBondContact O-CD 3.19Å; K33-P101 WeakPolarHBondContact O-CG 3.33Å; K33-P101 VanDerWaalsContact O-N 3.15Å; P101-T103 HydrophobicContact CB-CG2 4.21Å; P101-T103 PolarHBondContact O-N 3.33Å
102I91.3Very high87.5Confident0 Ų056.8 Ų56.80%029%0.291CS..EExtended strand (participates in β ladder)trans-78.6106159.9-59.3161.7000104.9E19 C20 T32 L36 L37 L97 K100 L105 A118E19-I102 WeakPolarHBondContact CG-O 3.42Å; C20-I102 PolarHBondContact SG-O 2.71Å; C20-I102 VanDerWaalsContact SG-O 3.35Å; T32-I102 PolarHBondContact O-N 2.93Å; L36-I102 WeakPolarHBondContact O-CD1 3.11Å; L37-I102 HydrophobicContact CB-CD1 4.08Å; L97-I102 HydrophobicContact CB-CD1 4.21Å; L97-I102 HydrophobicContact CB-CG1 4.32Å; L97-I102 HydrophobicContact CD1-CD1 3.74Å; L97-I102 HydrophobicContact CD1-CG1 4.19Å; L97-I102 HydrophobicContact CG-CD1 3.97Å; K100-I102 PolarHBondContact O-N 2.81Å; I102-L105 HydrophobicContact CG2-CB 4.32Å; I102-L105 HydrophobicContact CG2-CD1 4.32Å; I102-A118 HydrophobicContact CG1-CB 4.29Å
103T89.9Confident87.9Confident73 Ų7351.7 Ų51.745%0.44827%0.269SS..EExtended strand (participates in β ladder)trans-86.6-24-170.855.80000113P101 L117P101-T103 HydrophobicContact CB-CG2 4.21Å; P101-T103 PolarHBondContact O-N 3.33Å; T103-L117 PolarHBondContact N-O 3.15Å; T103-L117 WeakPolarHBondContact OG1-CD2 3.38Å; T103-L117 WeakPolarHBondContact OG1-CG 3.14Å; T103-L117 PolarHBondContact OG1-O 2.79Å
104Q91.9Very high88.2Confident47 Ų4750.1 Ų50.122%0.2226%0.261CS..EExtended strand (participates in β ladder)trans-150137.7177.2-168.7178.9-3.900109.6L117 F145Q104-L117 HydrophobicContact CB-CB 3.98Å; Q104-L117 HydrophobicContact CB-CD2 4.35Å; Q104-L117 PolarHBondContact O-N 3.15Å; Q104-F145 HydrophobicContact CB-CD1 4.27Å; Q104-F145 HydrophobicContact CB-CE1 3.79Å; Q104-F145 VanDerWaalsContact CD-CE1 3.48Å; Q104-F145 HydrophobicContact CG-CD1 4.09Å; Q104-F145 HydrophobicContact CG-CE1 3.55Å; Q104-F145 HydrophobicContact CG-CZ 3.91Å; Q104-F145 PolarHBondContact NE2-O 2.98Å; Q104-F145 VanDerWaalsContact OE1-CD1 3.31Å; Q104-F145 PolarHBondContact OE1-O 2.95Å
105L92.9Very high88.5Confident9 Ų946.3 Ų46.35%0.04724%0.237CC..EExtended strand (participates in β ladder)trans-140.9138-176.2-171.570.2000109.2C20 T22 L29 L37 I102 L114 L115 A116C20-L105 HydrophobicContact CB-CB 4.3Å; C20-L105 WeakPolarHBondContact SG-CB 3.27Å; T22-L105 HydrophobicContact CG2-CD2 3.8Å; T22-L105 HydrophobicContact CG2-CG 3.74Å; L29-L105 HydrophobicContact CB-CD2 4.18Å; L37-L105 HydrophobicContact CD1-CD1 4.17Å; L37-L105 HydrophobicContact CD1-CD2 3.7Å; I102-L105 HydrophobicContact CG2-CB 4.32Å; I102-L105 HydrophobicContact CG2-CD1 4.32Å; L105-L114 HydrophobicContact CD1-CD1 3.74Å; L105-L114 HydrophobicContact CD1-CD2 4.29Å; L105-L114 HydrophobicContact CD1-CG 4.02Å; L105-L114 HydrophobicContact CG-CD1 4.06Å; L105-L115 CarbonylContact C-O 3.51Å; L105-L115 WeakPolarHBondContact CA-O 3.4Å; L105-A116 HydrophobicContact CD1-CB 3.73Å
106T91.8Very high88.7Confident25 Ų2541.8 Ų41.815%0.15322%0.22CC..EExtended strand (participates in β ladder)trans-151.4116.1-179.5-55.80000111I108 L115T106-I108 HydrophobicContact CG2-CG1 4.27Å; T106-L115 PolarHBondContact N-O 3.35Å; T106-L115 PolarHBondContact O-N 3.17Å
107A91.2Very high89Confident14 Ų1437.1 Ų37.112%0.11619%0.191CC..EExtended strand (participates in β ladder)trans-77.3136.5168.800000110.4T22 Y24 L114 L127T22-A107 HydrophobicContact CG2-CB 3.9Å; T22-A107 PolarHBondContact OG1-N 3.43Å; T22-A107 VanDerWaalsContact OG1-N 3.09Å; Y24-A107 HydrophobicContact CD1-CB 4.13Å; A107-L114 HydrophobicContact CB-CD1 4.31Å; A107-L127 HydrophobicContact CB-CD1 3.66Å; A107-L127 HydrophobicContact CB-CD2 4.19Å
108I88.1Confident89.1Confident2 Ų236.2 Ų36.21%0.0119%0.187CC..EExtended strand (participates in β ladder)trans-126.485.9172.1-57.9-178.7000107.7T106 E110 F111 N112 L113 L115 M149 L197T106-I108 HydrophobicContact CG2-CG1 4.27Å; I108-E110 VanDerWaalsContact C-N 3.28Å; I108-E110 PolarHBondContact O-N 3.49Å; I108-F111 HydrophobicContact CG2-CB 4.34Å; I108-F111 HydrophobicContact CG2-CD2 3.81Å; I108-F111 PolarHBondContact O-N 2.89Å; I108-N112 PolarHBondContact O-N 3.24Å; I108-L113 HydrophobicContact CB-CB 4.39Å; I108-L113 PolarHBondContact N-O 2.85Å; I108-L113 PolarHBondContact O-N 2.99Å; I108-L115 HydrophobicContact CD1-CD1 3.55Å; I108-L115 HydrophobicContact CD1-CG 3.99Å; I108-L115 HydrophobicContact CG1-CD1 4.48Å; I108-M149 HydrophobicContact CD1-SD 4.28Å; I108-M149 HydrophobicContact CG1-SD 4.44Å; I108-M149 HydrophobicContact CG2-CE 3.57Å; I108-M149 HydrophobicContact CG2-SD 3.53Å; I108-M149 VanDerWaalsContact CG2-SD 3.53Å; I108-L197 HydrophobicContact CD1-CD1 3.85Å; I108-L197 HydrophobicContact CD1-CD2 3.95Å
109P85.4Confident89.4Confident60 Ų6039.8 Ų39.839%0.3920%0.201SC..G310 helixtrans-60.6-34.6-174.3-2637.1000113.7Y24 F111 N112 L127Y24-P109 HydrophobicContact CG-CG 4.44Å; P109-F111 PolarHBondContact O-N 2.82Å; P109-N112 PolarHBondContact O-N 2.81Å; P109-L127 HydrophobicContact CB-CD2 4.24Å; P109-L127 HydrophobicContact CG-CD2 4.11Å
110E81.7Confident89.5Confident79 Ų7931.9 Ų31.937%0.36917%0.173SC..G310 helixtrans-63.4-23.5-176.9-62.983172.300113.8I108 M149 L195 K435I108-E110 VanDerWaalsContact C-N 3.28Å; I108-E110 PolarHBondContact O-N 3.49Å; E110-M149 HydrophobicContact CB-CE 4Å; E110-M149 HydrophobicContact CG-CE 4.18Å; E110-L195 HydrophobicContact CB-CD2 3.49Å; E110-L195 VanDerWaalsContact CB-CD2 3.49Å; E110-L195 HydrophobicContact CG-CD2 4.1Å; E110-K435 IonicContact OE1-NZ 2.81Å; E110-K435 PolarHBondContact OE1-NZ 2.87Å
111F83.5Confident89.7Confident36 Ų3632.3 Ų32.316%0.15817%0.172CC..G310 helixtrans-1113.1173.2-69.8-81.2000112.8I108 P109 L113 M149 L195 L197 W212 P214I108-F111 HydrophobicContact CG2-CB 4.34Å; I108-F111 HydrophobicContact CG2-CD2 3.81Å; I108-F111 PolarHBondContact O-N 2.89Å; P109-F111 PolarHBondContact O-N 2.82Å; F111-L113 VanDerWaalsContact C-N 3.27Å; F111-L113 HydrophobicContact CB-CD1 3.73Å; F111-L113 HydrophobicContact CB-CG 3.65Å; F111-L113 HydrophobicContact CG-CD1 4.49Å; F111-L113 PolarHBondContact O-N 2.94Å; F111-M149 HydrophobicContact CD2-CE 4.13Å; F111-M149 HydrophobicContact CE2-CE 4.06Å; F111-M149 HydrophobicContact CE2-CG 4.48Å; F111-L195 HydrophobicContact CD2-CD2 4.08Å; F111-L195 HydrophobicContact CE2-CB 4.37Å; F111-L195 HydrophobicContact CE2-CD2 3.5Å; F111-L195 VanDerWaalsContact CE2-CD2 3.5Å; F111-L195 HydrophobicContact CE2-CG 3.62Å; F111-L195 HydrophobicContact CZ-CB 3.9Å; F111-L195 HydrophobicContact CZ-CD2 3.87Å; F111-L195 HydrophobicContact CZ-CG 3.62Å; F111-L195 VanDerWaalsContact CZ-O 3.31Å; F111-L195 WeakPolarHBondContact CZ-O 3.37Å; F111-L197 HydrophobicContact CD2-CB 4.13Å; F111-L197 HydrophobicContact CD2-CD2 4.31Å; F111-L197 HydrophobicContact CE2-CB 3.56Å; F111-L197 HydrophobicContact CZ-CB 3.87Å; F111-W212 AromaticContact CD1-CD1 3.81Å; F111-W212 AromaticContact CD1-NE1 3.86Å; F111-W212 AromaticContact CE1-CD1 3.94Å; F111-P214 HydrophobicContact CD1-CB 4.41Å; F111-P214 HydrophobicContact CE1-CB 4.27Å
112N87.9Confident90Very high44 Ų4430.3 Ų30.324%0.23516%0.159CC..THydrogen-bonded Turntrans54.640.3-171.2-167.77.4000112.5I108 P109 Q126 L127 Q128I108-N112 PolarHBondContact O-N 3.24Å; P109-N112 PolarHBondContact O-N 2.81Å; N112-Q126 CarbonylContact O-C 3.56Å; N112-Q126 WeakPolarHBondContact O-CA 3.48Å; N112-L127 PolarHBondContact O-N 2.92Å; N112-L127 WeakPolarHBondContact OD1-CB 3.47Å; N112-L127 PolarHBondContact OD1-N 3.33Å; N112-Q128 VanDerWaalsContact ND2-CD 3.26Å; N112-Q128 PolarHBondContact ND2-OE1 2.84Å; N112-Q128 WeakPolarHBondContact OD1-CG 3.47Å; N112-Q128 PolarHBondContact OD1-N 2.98Å; N112-Q128 VanDerWaalsContact OD1-N 3.15Å
113L91.2Very high90Very high2 Ų230.9 Ų30.91%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-112.7151-177.9-55.7178.9000112.5I108 F111 V124 Y125 I133 L197 W212I108-L113 HydrophobicContact CB-CB 4.39Å; I108-L113 PolarHBondContact N-O 2.85Å; I108-L113 PolarHBondContact O-N 2.99Å; F111-L113 VanDerWaalsContact C-N 3.27Å; F111-L113 HydrophobicContact CB-CD1 3.73Å; F111-L113 HydrophobicContact CB-CG 3.65Å; F111-L113 HydrophobicContact CG-CD1 4.49Å; F111-L113 PolarHBondContact O-N 2.94Å; L113-V124 HydrophobicContact CB-CG1 4.27Å; L113-V124 HydrophobicContact CD1-CG1 4.24Å; L113-V124 HydrophobicContact CD2-CG1 3.91Å; L113-V124 HydrophobicContact CG-CG1 4.35Å; L113-Y125 CarbonylContact C-O 3.38Å; L113-Y125 WeakPolarHBondContact CA-O 3.37Å; L113-I133 HydrophobicContact CD2-CD1 3.46Å; L113-I133 VanDerWaalsContact CD2-CD1 3.46Å; L113-L197 HydrophobicContact CD1-CD2 3.76Å; L113-W212 HydrophobicContact CD1-CD2 4.16Å; L113-W212 HydrophobicContact CD1-CG 4.48Å; L113-W212 HydrophobicContact CD1-CZ2 3.98Å; L113-W212 HydrophobicContact CD2-CH2 4.2Å; L113-W212 HydrophobicContact CD2-CZ2 3.77Å; L113-W212 HydrophobicContact CG-CZ2 4.48Å
114L92.9Very high90.1Very high0 Ų027.4 Ų27.40%014%0.141CC..EExtended strand (participates in β ladder)trans-127.1109168.1-179.363.2000108T22 L29 L37 L105 A107 Y125 L127T22-L114 HydrophobicContact CG2-CD1 4.04Å; L29-L114 HydrophobicContact CD2-CD1 3.99Å; L29-L114 HydrophobicContact CD2-CD2 3.87Å; L37-L114 HydrophobicContact CD1-CD2 4.45Å; L37-L114 HydrophobicContact CD2-CD2 3.58Å; L105-L114 HydrophobicContact CD1-CD1 3.74Å; L105-L114 HydrophobicContact CD1-CD2 4.29Å; L105-L114 HydrophobicContact CD1-CG 4.02Å; L105-L114 HydrophobicContact CG-CD1 4.06Å; A107-L114 HydrophobicContact CB-CD1 4.31Å; L114-Y125 PolarHBondContact N-O 3.01Å; L114-Y125 PolarHBondContact O-N 3.3Å; L114-L127 HydrophobicContact CB-CD1 3.81Å; L114-L127 HydrophobicContact CD1-CD1 4Å; L114-L127 HydrophobicContact CG-CD1 4.36Å
115L92.9Very high90.1Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-83.4126.4174.4-52-177.8000108.6L105 T106 I108 M122 V124 F145 H147 I199L105-L115 CarbonylContact C-O 3.51Å; L105-L115 WeakPolarHBondContact CA-O 3.4Å; T106-L115 PolarHBondContact N-O 3.35Å; T106-L115 PolarHBondContact O-N 3.17Å; I108-L115 HydrophobicContact CD1-CD1 3.55Å; I108-L115 HydrophobicContact CD1-CG 3.99Å; I108-L115 HydrophobicContact CG1-CD1 4.48Å; L115-M122 HydrophobicContact CB-CE 3.99Å; L115-M122 HydrophobicContact CD1-CE 3.86Å; L115-M122 HydrophobicContact CD2-CE 4.06Å; L115-M122 HydrophobicContact CG-CE 4.19Å; L115-V124 HydrophobicContact CD2-CB 4.28Å; L115-V124 HydrophobicContact CD2-CG1 3.98Å; L115-V124 HydrophobicContact CD2-CG2 3.48Å; L115-V124 VanDerWaalsContact CD2-CG2 3.48Å; L115-F145 HydrophobicContact CB-CE1 4.48Å; L115-F145 HydrophobicContact CB-CE2 3.83Å; L115-F145 HydrophobicContact CB-CZ 3.62Å; L115-F145 HydrophobicContact CD1-CD2 4.32Å; L115-F145 HydrophobicContact CD1-CE2 3.66Å; L115-F145 HydrophobicContact CD1-CZ 4.33Å; L115-F145 HydrophobicContact CG-CE2 4.42Å; L115-H147 HydrophobicContact CD1-CB 4.43Å; L115-I199 HydrophobicContact CD1-CD1 3.87Å; L115-I199 HydrophobicContact CD2-CD1 4.06Å
116A93.8Very high90Very high0 Ų027.6 Ų27.60%014%0.141CC..EExtended strand (participates in β ladder)trans-135132.4176.900000111.5L97 L105 S123 Y125L97-A116 HydrophobicContact CD1-CB 3.8Å; L105-A116 HydrophobicContact CD1-CB 3.73Å; A116-S123 PolarHBondContact N-O 3.18Å; A116-S123 PolarHBondContact O-N 3.06Å; A116-Y125 HydrophobicContact CB-CD2 4.25Å; A116-Y125 HydrophobicContact CB-CE2 3.97Å
117L93.5Very high89.8Confident0 Ų026.6 Ų26.60%014%0.135CC..EExtended strand (participates in β ladder)trans-100.1102.1171.8-176.657.5000108.5T103 Q104 R121 M122 A142 G143 F145T103-L117 PolarHBondContact N-O 3.15Å; T103-L117 WeakPolarHBondContact OG1-CD2 3.38Å; T103-L117 WeakPolarHBondContact OG1-CG 3.14Å; T103-L117 PolarHBondContact OG1-O 2.79Å; Q104-L117 HydrophobicContact CB-CB 3.98Å; Q104-L117 HydrophobicContact CB-CD2 4.35Å; Q104-L117 PolarHBondContact O-N 3.15Å; L117-R121 WeakPolarHBondContact CD1-O 3.4Å; L117-M122 HydrophobicContact CD1-CB 4.41Å; L117-A142 HydrophobicContact CD1-CB 3.82Å; L117-G143 VanDerWaalsContact CD2-C 3.42Å; L117-G143 WeakPolarHBondContact CD2-O 3.31Å; L117-F145 HydrophobicContact CB-CD1 4.07Å; L117-F145 HydrophobicContact CB-CE1 4.06Å; L117-F145 HydrophobicContact CD2-CD1 4.48Å
118A91Very high89.4Confident5 Ų532.1 Ų32.14%0.04116%0.158CC..EExtended strand (participates in β ladder)trans-132.3145.3-176.800000110.1L97 I102 G120 R121L97-A118 HydrophobicContact CB-CB 4.18Å; I102-A118 HydrophobicContact CG1-CB 4.29Å; A118-G120 PolarHBondContact O-N 2.91Å; A118-R121 PolarHBondContact N-O 3.01Å; A118-R121 VanDerWaalsContact N-O 3.08Å; A118-R121 PolarHBondContact O-N 3.39Å; A118-R121 VanDerWaalsContact O-O 3.06Å
119E88.1Confident89.2Confident85 Ų8534 Ų3440%0.39717%0.168SC..THydrogen-bonded Turntrans55.29.9-175.4-48.3-156.2138.600116.6G98 K99 K100G98-E119 WeakPolarHBondContact CA-OE1 3.32Å; K99-E119 PolarHBondContact N-OE1 2.9Å; K100-E119 HydrophobicContact CB-CG 4.34Å; K100-E119 HydrophobicContact CD-CB 4.41Å
120G87.8Confident89.2Confident23 Ų2331.1 Ų31.124%0.23715%0.15CC..THydrogen-bonded Turntrans78.934.3-169.600000113.2A118 G141 A142A118-G120 PolarHBondContact O-N 2.91Å; G120-G141 PolarHBondContact O-N 2.98Å; G120-A142 PolarHBondContact O-N 2.75Å
121R91.3Very high89.5Confident132 Ų13232.2 Ų32.250%0.49816%0.155SC..EExtended strand (participates in β ladder)trans-134.9142.4169-77.6173.3164.9156.9-10.2109.4L117 A118L117-R121 WeakPolarHBondContact CD1-O 3.4Å; A118-R121 PolarHBondContact N-O 3.01Å; A118-R121 VanDerWaalsContact N-O 3.08Å; A118-R121 PolarHBondContact O-N 3.39Å; A118-R121 VanDerWaalsContact O-O 3.06Å
122M92.2Very high89.8Confident0 Ų035.2 Ų35.20%017%0.172CC..EExtended strand (participates in β ladder)trans-91.4116.6173.3-174.5176179.900109.6L115 L117 V136 S139 F145 I199 V201L115-M122 HydrophobicContact CB-CE 3.99Å; L115-M122 HydrophobicContact CD1-CE 3.86Å; L115-M122 HydrophobicContact CD2-CE 4.06Å; L115-M122 HydrophobicContact CG-CE 4.19Å; L117-M122 HydrophobicContact CD1-CB 4.41Å; M122-V136 HydrophobicContact CB-CB 4.25Å; M122-V136 HydrophobicContact CB-CG2 4.16Å; M122-V136 HydrophobicContact CE-CG2 4.47Å; M122-V136 HydrophobicContact CG-CB 4.46Å; M122-V136 HydrophobicContact CG-CG2 3.84Å; M122-V136 PolarHBondContact O-N 3.32Å; M122-V136 HydrophobicContact SD-CG2 3.92Å; M122-S139 PolarHBondContact N-OG 3.09Å; M122-S139 VanDerWaalsContact N-OG 3.09Å; M122-F145 HydrophobicContact CE-CB 4.06Å; M122-F145 HydrophobicContact CE-CD1 4Å; M122-F145 HydrophobicContact CE-CD2 3.47Å; M122-F145 VanDerWaalsContact CE-CD2 3.47Å; M122-F145 HydrophobicContact CE-CE1 4.3Å; M122-F145 HydrophobicContact CE-CE2 3.83Å; M122-F145 HydrophobicContact CE-CG 3.58Å; M122-F145 HydrophobicContact CE-CZ 4.23Å; M122-F145 HydrophobicContact CG-CD1 4.38Å; M122-F145 HydrophobicContact SD-CB 3.58Å; M122-F145 VanDerWaalsContact SD-CB 3.58Å; M122-F145 HydrophobicContact SD-CD1 4.01Å; M122-F145 HydrophobicContact SD-CD2 4.18Å; M122-F145 HydrophobicContact SD-CG 3.68Å; M122-I199 HydrophobicContact CE-CD1 3.84Å; M122-I199 HydrophobicContact CE-CG2 3.74Å; M122-I199 HydrophobicContact SD-CG2 3.93Å; M122-V201 HydrophobicContact CB-CG1 4.44Å; M122-V201 HydrophobicContact SD-CG2 3.54Å; M122-V201 VanDerWaalsContact SD-CG2 3.54Å
123S92.2Very high89.8Confident12 Ų1235.5 Ų35.58%0.08417%0.173CC..EExtended strand (participates in β ladder)trans-118.9145.5-178.3-660000110.4A116 Y125 S135A116-S123 PolarHBondContact N-O 3.18Å; A116-S123 PolarHBondContact O-N 3.06Å; S123-Y125 VanDerWaalsContact CB-CE2 3.43Å; S123-S135 PolarHBondContact OG-OG 3.03Å
124V92Very high89.8Confident0 Ų037.2 Ų37.20%018%0.184CC..EExtended strand (participates in β ladder)trans-119.5119.5-177.2179.70000109.4L113 L115 I133 T134 V136 F219L113-V124 HydrophobicContact CB-CG1 4.27Å; L113-V124 HydrophobicContact CD1-CG1 4.24Å; L113-V124 HydrophobicContact CD2-CG1 3.91Å; L113-V124 HydrophobicContact CG-CG1 4.35Å; L115-V124 HydrophobicContact CD2-CB 4.28Å; L115-V124 HydrophobicContact CD2-CG1 3.98Å; L115-V124 HydrophobicContact CD2-CG2 3.48Å; L115-V124 VanDerWaalsContact CD2-CG2 3.48Å; V124-I133 WeakPolarHBondContact O-CB 3.02Å; V124-I133 PolarHBondContact O-N 3.17Å; V124-T134 HydrophobicContact CB-CG2 4.35Å; V124-T134 PolarHBondContact N-O 2.81Å; V124-T134 PolarHBondContact O-N 3.41Å; V124-V136 HydrophobicContact CG2-CG2 4.23Å; V124-F219 HydrophobicContact CB-CE2 4.26Å; V124-F219 HydrophobicContact CG2-CE2 3.56Å; V124-F219 HydrophobicContact CG2-CZ 3.87Å
125Y91.9Very high89.6Confident22 Ų2239.7 Ų39.79%0.08620%0.201CC..EExtended strand (participates in β ladder)trans-110.6156-178.2-56.1-101.6000110L97 L113 L114 A116 S123 Q131 L132L97-Y125 HydrophobicContact CD1-CE2 4.23Å; L97-Y125 HydrophobicContact CD2-CD1 4.47Å; L97-Y125 HydrophobicContact CD2-CE1 3.87Å; L97-Y125 HydrophobicContact CD2-CE2 4.43Å; L113-Y125 CarbonylContact C-O 3.38Å; L113-Y125 WeakPolarHBondContact CA-O 3.37Å; L114-Y125 PolarHBondContact N-O 3.01Å; L114-Y125 PolarHBondContact O-N 3.3Å; A116-Y125 HydrophobicContact CB-CD2 4.25Å; A116-Y125 HydrophobicContact CB-CE2 3.97Å; S123-Y125 VanDerWaalsContact CB-CE2 3.43Å; Y125-Q131 CarbonylContact C-O 3.59Å; Y125-Q131 WeakPolarHBondContact CA-O 3.49Å; Y125-Q131 WeakPolarHBondContact CB-O 3.44Å; Y125-L132 HydrophobicContact CD1-CB 3.93Å; Y125-L132 HydrophobicContact CD1-CD1 4.12Å; Y125-L132 HydrophobicContact CE1-CB 3.86Å; Y125-L132 HydrophobicContact CE1-CD1 3.78Å; Y125-L132 HydrophobicContact CE1-CG 4.41Å; Y125-L132 HydrophobicContact CE2-CD1 4.23Å; Y125-L132 HydrophobicContact CG-CD1 4.47Å
126Q89.9Confident89.4Confident38 Ų3839.9 Ų39.918%0.17820%0.202CC..EExtended strand (participates in β ladder)trans-74.2128.5169.1177.11792.100109N112 N129 C130 Q131 I133N112-Q126 CarbonylContact O-C 3.56Å; N112-Q126 WeakPolarHBondContact O-CA 3.48Å; Q126-N129 WeakPolarHBondContact CB-OD1 3.36Å; Q126-N129 PolarHBondContact O-OD1 2.9Å; Q126-N129 PolarHBondContact OE1-ND2 2.83Å; Q126-N129 PolarHBondContact OE1-OD1 3.46Å; Q126-C130 WeakPolarHBondContact O-CA 3.43Å; Q126-C130 PolarHBondContact O-N 2.88Å; Q126-Q131 PolarHBondContact N-O 2.87Å; Q126-I133 HydrophobicContact CB-CD1 3.9Å; Q126-I133 HydrophobicContact CB-CG1 4.08Å
127L86.9Confident89Confident5 Ų542.6 Ų42.63%0.02622%0.22CC..THydrogen-bonded Turntrans-64.5-49.1-168.5-172.662.2000112.5Y24 L29 A107 P109 N112 L114 N129Y24-L127 HydrophobicContact CD1-CD1 3.66Å; Y24-L127 HydrophobicContact CD1-CD2 3.65Å; Y24-L127 HydrophobicContact CD1-CG 3.76Å; Y24-L127 HydrophobicContact CD2-CD2 4.25Å; Y24-L127 HydrophobicContact CE1-CD1 3.48Å; Y24-L127 VanDerWaalsContact CE1-CD1 3.48Å; Y24-L127 HydrophobicContact CE1-CD2 3.86Å; Y24-L127 HydrophobicContact CE1-CG 3.46Å; Y24-L127 VanDerWaalsContact CE1-CG 3.46Å; Y24-L127 HydrophobicContact CE2-CD2 4.47Å; Y24-L127 HydrophobicContact CG-CD2 3.86Å; Y24-L127 HydrophobicContact CG-CG 4.4Å; L29-L127 HydrophobicContact CD2-CD1 4.16Å; A107-L127 HydrophobicContact CB-CD1 3.66Å; A107-L127 HydrophobicContact CB-CD2 4.19Å; P109-L127 HydrophobicContact CB-CD2 4.24Å; P109-L127 HydrophobicContact CG-CD2 4.11Å; N112-L127 PolarHBondContact O-N 2.92Å; N112-L127 WeakPolarHBondContact OD1-CB 3.47Å; N112-L127 PolarHBondContact OD1-N 3.33Å; L114-L127 HydrophobicContact CB-CD1 3.81Å; L114-L127 HydrophobicContact CD1-CD1 4Å; L114-L127 HydrophobicContact CG-CD1 4.36Å; L127-N129 VanDerWaalsContact C-N 3.3Å; L127-N129 PolarHBondContact O-N 3.15Å
128Q83.2Confident88.6Confident129 Ų12947.2 Ų47.260%0.60325%0.245SC*.THydrogen-bonded Turntrans-57.4-33.6-176.8-75.7165.5-23.200115.4N112N112-Q128 VanDerWaalsContact ND2-CD 3.26Å; N112-Q128 PolarHBondContact ND2-OE1 2.84Å; N112-Q128 WeakPolarHBondContact OD1-CG 3.47Å; N112-Q128 PolarHBondContact OD1-N 2.98Å; N112-Q128 VanDerWaalsContact OD1-N 3.15Å
129N84.5Confident88.6Confident41 Ų4147.2 Ų47.222%0.21924%0.244CC..THydrogen-bonded Turntrans-127.6-3.2-171.768.413.4000113.6R95 Q126 L127 Q131R95-N129 PolarHBondContact NE-O 2.9Å; R95-N129 PolarHBondContact NH1-O 3.13Å; R95-N129 PolarHBondContact NH2-O 2.81Å; Q126-N129 WeakPolarHBondContact CB-OD1 3.36Å; Q126-N129 PolarHBondContact O-OD1 2.9Å; Q126-N129 PolarHBondContact OE1-ND2 2.83Å; Q126-N129 PolarHBondContact OE1-OD1 3.46Å; L127-N129 VanDerWaalsContact C-N 3.3Å; L127-N129 PolarHBondContact O-N 3.15Å; N129-Q131 PolarHBondContact ND2-OE1 2.86Å; N129-Q131 PolarHBondContact O-N 3.05Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.41Å; N129-Q131 PolarHBondContact OD1-N 3Å
130C85.5Confident88.7Confident1 Ų151.2 Ų51.21%0.00726%0.26CS..  trans53.130.2-176.6-62.70000114.7L37 R95 Q126L37-C130 HydrophobicContact CD2-CB 4.19Å; R95-C130 WeakPolarHBondContact CD-O 3.39Å; R95-C130 PolarHBondContact NH1-O 3.15Å; Q126-C130 WeakPolarHBondContact O-CA 3.43Å; Q126-C130 PolarHBondContact O-N 2.88Å
131Q87.6Confident88.8Confident102 Ų10252.2 Ų52.248%0.47727%0.271SS..  trans-78140.4171.2-72.1179.3-22.200110.8Y125 Q126 N129 I133Y125-Q131 CarbonylContact C-O 3.59Å; Y125-Q131 WeakPolarHBondContact CA-O 3.49Å; Y125-Q131 WeakPolarHBondContact CB-O 3.44Å; Q126-Q131 PolarHBondContact N-O 2.87Å; N129-Q131 PolarHBondContact ND2-OE1 2.86Å; N129-Q131 PolarHBondContact O-N 3.05Å; N129-Q131 WeakPolarHBondContact OD1-CB 3.41Å; N129-Q131 PolarHBondContact OD1-N 3Å; Q131-I133 PolarHBondContact O-N 2.79Å
132L89.2Confident88.8Confident99 Ų9946.2 Ų46.252%0.51825%0.249SC..EExtended strand (participates in β ladder)trans-67.4127.5176.4-178.168.3000109.6Y125Y125-L132 HydrophobicContact CD1-CB 3.93Å; Y125-L132 HydrophobicContact CD1-CD1 4.12Å; Y125-L132 HydrophobicContact CE1-CB 3.86Å; Y125-L132 HydrophobicContact CE1-CD1 3.78Å; Y125-L132 HydrophobicContact CE1-CG 4.41Å; Y125-L132 HydrophobicContact CE2-CD1 4.23Å; Y125-L132 HydrophobicContact CG-CD1 4.47Å
133I88.8Confident88.6Confident50 Ų5048.4 Ų48.426%0.25627%0.272SS..EExtended strand (participates in β ladder)trans-93.8-54172.3-58.1165.5000109.2L113 V124 Q126 Q131 W212 R217L113-I133 HydrophobicContact CD2-CD1 3.46Å; L113-I133 VanDerWaalsContact CD2-CD1 3.46Å; V124-I133 WeakPolarHBondContact O-CB 3.02Å; V124-I133 PolarHBondContact O-N 3.17Å; Q126-I133 HydrophobicContact CB-CD1 3.9Å; Q126-I133 HydrophobicContact CB-CG1 4.08Å; Q131-I133 PolarHBondContact O-N 2.79Å; I133-W212 HydrophobicContact CG2-CH2 4.09Å; I133-R217 HydrophobicContact CG2-CB 3.99Å
134T90Very high88.6Confident37 Ų3750.1 Ų50.123%0.22728%0.28CS..EExtended strand (participates in β ladder)trans-159.6167.6-178.6-169.60000111.5V124 W212 F219V124-T134 HydrophobicContact CB-CG2 4.35Å; V124-T134 PolarHBondContact N-O 2.81Å; V124-T134 PolarHBondContact O-N 3.41Å; T134-W212 HydrophobicContact CG2-CZ3 4.01Å; T134-F219 HydrophobicContact CG2-CD2 3.92Å; T134-F219 HydrophobicContact CG2-CE2 3.94Å
135S89.3Confident88.7Confident53 Ų5350.2 Ų50.237%0.37128%0.28SS..EExtended strand (participates in β ladder)trans-116.2132.1170.8-64.80000109S123S123-S135 PolarHBondContact OG-OG 3.03Å
136V88.5Confident88.6Confident3 Ų349.9 Ų49.92%0.01828%0.281CS..  trans-65.1126.1-177.9-172.90000109.1M122 V124 S139 V201 W210 F219M122-V136 HydrophobicContact CB-CB 4.25Å; M122-V136 HydrophobicContact CB-CG2 4.16Å; M122-V136 HydrophobicContact CE-CG2 4.47Å; M122-V136 HydrophobicContact CG-CB 4.46Å; M122-V136 HydrophobicContact CG-CG2 3.84Å; M122-V136 PolarHBondContact O-N 3.32Å; M122-V136 HydrophobicContact SD-CG2 3.92Å; V124-V136 HydrophobicContact CG2-CG2 4.23Å; V136-S139 VanDerWaalsContact O-CB 3.26Å; V136-S139 WeakPolarHBondContact O-CB 3.35Å; V136-S139 PolarHBondContact O-N 3.23Å; V136-S139 PolarHBondContact O-OG 2.79Å; V136-V201 HydrophobicContact CG1-CG2 4.03Å; V136-W210 HydrophobicContact CG1-CB 4.42Å; V136-W210 HydrophobicContact CG1-CD2 3.88Å; V136-W210 HydrophobicContact CG1-CG 3.64Å; V136-F219 HydrophobicContact CG2-CD2 3.98Å; V136-F219 HydrophobicContact CG2-CE2 3.92Å; V136-F219 HydrophobicContact CG2-CZ 4.43Å
137P85.3Confident88.6Confident58 Ų5851.1 Ų51.138%0.37729%0.286SS..THydrogen-bonded Turntrans-63.1161.4179.9-17.129.5000111.9S139 W210P137-S139 PolarHBondContact O-N 3.33Å; P137-W210 HydrophobicContact CB-CH2 3.5Å; P137-W210 VanDerWaalsContact CB-CH2 3.5Å; P137-W210 HydrophobicContact CB-CZ2 3.66Å; P137-W210 HydrophobicContact CB-CZ3 4.33Å; P137-W210 HydrophobicContact CG-CH2 3.54Å; P137-W210 HydrophobicContact CG-CZ2 4.02Å; P137-W210 HydrophobicContact CG-CZ3 3.87Å; P137-W210 WeakPolarHBondContact O-CZ2 3.28Å
138N85.6Confident88.4Confident97 Ų9751.8 Ų51.852%0.51929%0.289SS..THydrogen-bonded Turntrans55.7-3.1-173.3-62.6-7.8000116.7K140 Y208N138-K140 PolarHBondContact O-N 2.93Å; N138-Y208 HydrophobicContact CB-CD1 3.86Å; N138-Y208 HydrophobicContact CB-CD2 4.11Å; N138-Y208 HydrophobicContact CB-CE1 3.83Å; N138-Y208 HydrophobicContact CB-CE2 4.08Å; N138-Y208 HydrophobicContact CB-CG 3.99Å; N138-Y208 WeakPolarHBondContact ND2-CE1 3.27Å
139S90.8Very high88.3Confident5 Ų547.2 Ų47.24%0.03527%0.268CS..  trans-69.17.4-179.871.10000115.8M122 V136 P137 G141 A142M122-S139 PolarHBondContact N-OG 3.09Å; M122-S139 VanDerWaalsContact N-OG 3.09Å; V136-S139 VanDerWaalsContact O-CB 3.26Å; V136-S139 WeakPolarHBondContact O-CB 3.35Å; V136-S139 PolarHBondContact O-N 3.23Å; V136-S139 PolarHBondContact O-OG 2.79Å; P137-S139 PolarHBondContact O-N 3.33Å; S139-G141 PolarHBondContact O-N 3.15Å; S139-A142 WeakPolarHBondContact O-CB 3.44Å; S139-A142 PolarHBondContact O-N 3.33Å
140K90.4Very high87.6Confident168 Ų16847.1 Ų47.173%0.7327%0.266SS*.THydrogen-bonded Turntrans-73.1111.9-178.7-175.6-172.1175.9-172.90110.6N138N138-K140 PolarHBondContact O-N 2.93Å
141G90Very high86.7Confident44 Ų4451.7 Ų51.745%0.45428%0.283SS..THydrogen-bonded Turntrans90.515.8-17000000113.3G120 S139G120-G141 PolarHBondContact O-N 2.98Å; S139-G141 PolarHBondContact O-N 3.15Å
142A91.4Very high85.1Confident6 Ų647.7 Ų47.75%0.0527%0.267CS..  trans-64.8137175.200000111.5L117 G120 S139 V201 V202 V203L117-A142 HydrophobicContact CD1-CB 3.82Å; G120-A142 PolarHBondContact O-N 2.75Å; S139-A142 WeakPolarHBondContact O-CB 3.44Å; S139-A142 PolarHBondContact O-N 3.33Å; A142-V201 HydrophobicContact CB-CG1 3.62Å; A142-V202 CarbonylContact C-O 3.59Å; A142-V202 WeakPolarHBondContact CA-O 3.46Å; A142-V203 HydrophobicContact CB-CG2 4.16Å
143G88.5Confident82.9Confident46 Ų4650.4 Ų50.447%0.47427%0.274SS..  trans-109.7-25.2178.400000114.2L117 V202L117-G143 VanDerWaalsContact CD2-C 3.42Å; L117-G143 WeakPolarHBondContact CD2-O 3.31Å; G143-V202 PolarHBondContact N-O 3.27Å
144L91.3Very high80.2Confident48 Ų4852.6 Ų52.625%0.25129%0.29SS..EExtended strand (participates in β ladder)trans-147.7156.5-179.9-62.1165.5000109.6V202 V243 R244 I246L144-V202 HydrophobicContact CB-CB 3.99Å; L144-V202 HydrophobicContact CB-CG2 3.91Å; L144-V202 WeakPolarHBondContact O-CB 3.48Å; L144-V202 PolarHBondContact O-N 2.89Å; L144-V243 HydrophobicContact CD1-CG1 4.26Å; L144-R244 WeakPolarHBondContact CD1-O 3.45Å; L144-I246 HydrophobicContact CB-CG2 4.41Å
145F93.2Very high77.3Confident3 Ų355.8 Ų55.81%0.01331%0.314CS..EExtended strand (participates in β ladder)trans-135.8160.5160.371-93000111.3Q104 L115 L117 M122 C200Q104-F145 HydrophobicContact CB-CD1 4.27Å; Q104-F145 HydrophobicContact CB-CE1 3.79Å; Q104-F145 VanDerWaalsContact CD-CE1 3.48Å; Q104-F145 HydrophobicContact CG-CD1 4.09Å; Q104-F145 HydrophobicContact CG-CE1 3.55Å; Q104-F145 HydrophobicContact CG-CZ 3.91Å; Q104-F145 PolarHBondContact NE2-O 2.98Å; Q104-F145 VanDerWaalsContact OE1-CD1 3.31Å; Q104-F145 PolarHBondContact OE1-O 2.95Å; L115-F145 HydrophobicContact CB-CE1 4.48Å; L115-F145 HydrophobicContact CB-CE2 3.83Å; L115-F145 HydrophobicContact CB-CZ 3.62Å; L115-F145 HydrophobicContact CD1-CD2 4.32Å; L115-F145 HydrophobicContact CD1-CE2 3.66Å; L115-F145 HydrophobicContact CD1-CZ 4.33Å; L115-F145 HydrophobicContact CG-CE2 4.42Å; L117-F145 HydrophobicContact CB-CD1 4.07Å; L117-F145 HydrophobicContact CB-CE1 4.06Å; L117-F145 HydrophobicContact CD2-CD1 4.48Å; M122-F145 HydrophobicContact CE-CB 4.06Å; M122-F145 HydrophobicContact CE-CD1 4Å; M122-F145 HydrophobicContact CE-CD2 3.47Å; M122-F145 VanDerWaalsContact CE-CD2 3.47Å; M122-F145 HydrophobicContact CE-CE1 4.3Å; M122-F145 HydrophobicContact CE-CE2 3.83Å; M122-F145 HydrophobicContact CE-CG 3.58Å; M122-F145 HydrophobicContact CE-CZ 4.23Å; M122-F145 HydrophobicContact CG-CD1 4.38Å; M122-F145 HydrophobicContact SD-CB 3.58Å; M122-F145 VanDerWaalsContact SD-CB 3.58Å; M122-F145 HydrophobicContact SD-CD1 4.01Å; M122-F145 HydrophobicContact SD-CD2 4.18Å; M122-F145 HydrophobicContact SD-CG 3.68Å; F145-C200 CarbonylContact C-O 3.57Å; F145-C200 WeakPolarHBondContact CA-O 3.5Å
146T90.4Very high74.3Confident15 Ų1559.6 Ų59.69%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-138.7159166.2-171.20000110I199 C200 I246 F248 L254T146-I199 WeakPolarHBondContact O-CA 3.34Å; T146-C200 HydrophobicContact CG2-CB 4Å; T146-C200 PolarHBondContact N-O 3.33Å; T146-C200 PolarHBondContact O-N 2.57Å; T146-I246 HydrophobicContact CG2-CB 4.41Å; T146-I246 HydrophobicContact CG2-CD1 4.24Å; T146-I246 HydrophobicContact CG2-CG1 3.85Å; T146-I246 HydrophobicContact CG2-CG2 3.97Å; T146-F248 HydrophobicContact CG2-CD2 3.79Å; T146-F248 HydrophobicContact CG2-CE2 3.77Å; T146-L254 HydrophobicContact CG2-CD1 4.32Å
147H89.5Confident71.4Confident63 Ų6365.2 Ų65.229%0.29237%0.369SS..EExtended strand (participates in β ladder)trans-139.6155.2-174.672-69.8000111.1L115 L197 R198 I199L115-H147 HydrophobicContact CD1-CB 4.43Å; H147-L197 HydrophobicContact CB-CD1 3.98Å; H147-R198 CarbonylContact C-O 3.6Å; H147-R198 VanDerWaalsContact CA-O 3.28Å; H147-R198 WeakPolarHBondContact CA-O 3.03Å; H147-I199 HydrophobicContact CB-CG1 4.11Å
148Y84.4Confident68.6Low20 Ų2068 Ų688%0.07839%0.39CS..EExtended strand (participates in β ladder)trans-136.4137.8175.8-167.2-105.6000109.2Q150 R198 F248 L251 P356 G357Y148-Q150 HydrophobicContact CD1-CB 4.44Å; Y148-Q150 HydrophobicContact CE1-CB 4.11Å; Y148-R198 PolarHBondContact N-O 2.97Å; Y148-R198 PolarHBondContact O-N 3.07Å; Y148-F248 HydrophobicContact CD2-CB 3.85Å; Y148-F248 HydrophobicContact CD2-CG 4.47Å; Y148-F248 HydrophobicContact CG-CB 4.28Å; Y148-F248 HydrophobicContact CG-CG 4.44Å; Y148-L251 HydrophobicContact CD1-CD2 3.98Å; Y148-L251 HydrophobicContact CE1-CD2 3.79Å; Y148-L251 HydrophobicContact CE1-CG 4.35Å; Y148-P356 VanDerWaalsContact OH-C 3.23Å; Y148-G357 PolarHBondContact OH-N 2.91Å
149M80.1Confident65.8Low33 Ų3368.3 Ų68.316%0.16340%0.4CS..EExtended strand (participates in β ladder)trans-123.8130.6179.9-69.8164.86300109.4I108 E110 F111 L195 E196 L197 P356I108-M149 HydrophobicContact CD1-SD 4.28Å; I108-M149 HydrophobicContact CG1-SD 4.44Å; I108-M149 HydrophobicContact CG2-CE 3.57Å; I108-M149 HydrophobicContact CG2-SD 3.53Å; I108-M149 VanDerWaalsContact CG2-SD 3.53Å; E110-M149 HydrophobicContact CB-CE 4Å; E110-M149 HydrophobicContact CG-CE 4.18Å; F111-M149 HydrophobicContact CD2-CE 4.13Å; F111-M149 HydrophobicContact CE2-CE 4.06Å; F111-M149 HydrophobicContact CE2-CG 4.48Å; M149-L195 HydrophobicContact CE-CD2 3.85Å; M149-E196 VanDerWaalsContact CA-O 3.22Å; M149-E196 WeakPolarHBondContact CA-O 3.49Å; M149-L197 HydrophobicContact CG-CB 4.38Å; M149-L197 HydrophobicContact CG-CD1 3.74Å; M149-P356 WeakPolarHBondContact O-CB 3.12Å; M149-P356 WeakPolarHBondContact O-CG 3.42Å
150Q70.5Confident62.6Low39 Ų3973.2 Ų73.218%0.18243%0.433CS..EExtended strand (participates in β ladder)trans-135.8134.6-177172.6154.8-6.800111.5Y148 S152 E196 L251 P356Y148-Q150 HydrophobicContact CD1-CB 4.44Å; Y148-Q150 HydrophobicContact CE1-CB 4.11Å; Q150-S152 PolarHBondContact O-N 3.21Å; Q150-E196 PolarHBondContact N-O 3.46Å; Q150-E196 PolarHBondContact O-N 3.34Å; Q150-L251 VanDerWaalsContact OE1-CD1 3.24Å; Q150-L251 VanDerWaalsContact OE1-CD2 3.24Å; Q150-P356 WeakPolarHBondContact CB-O 3.44Å; Q150-P356 VanDerWaalsContact CD-O 3.29Å; Q150-P356 WeakPolarHBondContact CG-O 3.28Å; Q150-P356 PolarHBondContact OE1-O 3.04Å
151Y65.2Low59.7Low96 Ų9675 Ų7538%0.37644%0.441SS..EExtended strand (participates in β ladder)trans-74.3108.6164.8-69.4-83.5000109K153 N193 L195Y151-K153 PolarHBondContact O-N 3.17Å; Y151-N193 HydrophobicContact CD1-CB 4.18Å; Y151-L195 HydrophobicContact CD1-CB 4.38Å; Y151-L195 HydrophobicContact CD1-CD1 3.89Å; Y151-L195 HydrophobicContact CD2-CD1 3.99Å; Y151-L195 HydrophobicContact CE1-CB 4.35Å; Y151-L195 HydrophobicContact CE1-CD1 3.84Å; Y151-L195 HydrophobicContact CE2-CD1 3.94Å; Y151-L195 HydrophobicContact CG-CD1 3.97Å
152S53.8Low56.6Low18 Ų1880.8 Ų80.813%0.12646%0.459CS..EExtended strand (participates in β ladder)trans-71.8124.1168.169.40000109.1Q150 S194Q150-S152 PolarHBondContact O-N 3.21Å; S152-S194 WeakPolarHBondContact CB-O 3.47Å; S152-S194 PolarHBondContact N-O 3.49Å; S152-S194 PolarHBondContact OG-O 3.03Å; S152-S194 PolarHBondContact OG-OG 2.89Å; S152-S194 VanDerWaalsContact OG-OG 3.1Å
153K44.7Very low53.7Low156 Ų15685 Ų8568%0.67849%0.489SS*.  trans-81.6110.2157.4-74.3-174.9176.9-178.10105.9Y151 S155Y151-K153 PolarHBondContact O-N 3.17Å; K153-S155 VanDerWaalsContact C-N 3.33Å; K153-S155 PolarHBondContact O-N 2.83Å
154V31.4Very low50.9Low97 Ų9789.7 Ų89.759%0.58850%0.503SS*.  trans-69.793.7175.1-179.40000108.4T156 S194V154-T156 HydrophobicContact CG1-CG2 4.32Å; V154-T156 PolarHBondContact O-N 3.08Å; V154-T156 VanDerWaalsContact O-N 3.12Å; V154-S194 WeakPolarHBondContact CG2-OG 3.28Å
155S29.6Very low48Very low104 Ų10493 Ų9373%0.72753%0.53SS*.  trans-69.799.3167.2-62.20000108.2K153 V157K153-S155 VanDerWaalsContact C-N 3.33Å; K153-S155 PolarHBondContact O-N 2.83Å; S155-V157 PolarHBondContact O-N 2.87Å
156T25.3Very low44.9Very low132 Ų13297.9 Ų97.981%0.8156%0.564SS**  trans-67.199.5-178.449.80000111V154V154-T156 HydrophobicContact CG1-CG2 4.32Å; V154-T156 PolarHBondContact O-N 3.08Å; V154-T156 VanDerWaalsContact O-N 3.12Å
157V27.3Very low42Very low121 Ų121104.6 Ų104.673%0.73360%0.599SS**  trans-129.1119.1172.6-177.90000108S155S155-V157 PolarHBondContact O-N 2.87Å
158S27Very low39.2Very low117 Ų117106.7 Ų106.782%0.81862%0.621SS**  trans64.8145.3-168.886.60000113.7
159S27.6Very low36.5Very low104 Ų104112.6 Ų112.673%0.72765%0.653SS**  cis-149.8-167.4-0.455.60000110.6
160C23.7Very low34.2Very low107 Ų107116.6 Ų116.672%0.72368%0.675SS**  trans74.492.7167.5-61.30000118.9
161K27.9Very low32.3Very low206 Ų206123.6 Ų123.690%0.89671%0.705SS**  -127.4122.3120.8-82-165.2175.6-175.40109.4
162I26.6Very low30.8Very low165 Ų165123.2 Ų123.285%0.84672%0.716SS**  trans-106.1126.8165.9-66.1169.7000106
163S30.1Very low29.8Very low95 Ų95131 Ų13166%0.66475%0.75SS**  trans-158.299.4164.456.70000110.3
164D29Very low29.3Very low144 Ų144128.1 Ų128.177%0.7775%0.75SS**  trans67.5138.7148.1-50.8-40.8000122.5
165S29.6Very low29.3Very low117 Ų117128.4 Ų128.482%0.81876%0.756SS**  trans61.9108.9169.863.30000116.2
166S30.1Very low29.5Very low106 Ų106128.1 Ų128.174%0.74175%0.754SS**  cis-169.5155.736.9490000114.6
167L29.3Very low29.8Very low156 Ų156126.3 Ų126.382%0.81775%0.747SS**  trans66.1106.2155-65.9162.4000121.6
168S29.1Very low29.8Very low107 Ų107129.2 Ų129.275%0.74875%0.752SS**  trans75.1144.5137.776.20000119.5
169L29Very low29.8Very low145 Ų145128.3 Ų128.376%0.75975%0.746SS**  cis-156.3146.6-1.6-149.971.2000112.4
170N30.5Very low29.9Very low116 Ų116130.2 Ų130.262%0.6275%0.747SS**  trans59.9111.8158.4-68.7-30.6000120.8
171K31Very low30Very low187 Ų187132.2 Ų132.281%0.81375%0.75SS**  94.7142.893-79.4-177.7-178.3-177.20114.2
172S33.4Very low29.9Very low87 Ų87129 Ų12961%0.60874%0.742SS**  cis-173.1147.5-8.8460000113.8
173Q33.7Very low29.8Very low182 Ų182130.1 Ų130.185%0.8574%0.744SS**  trans70.1149.3152.7-70.1164.7-20.100119.9
174S33.2Very low29.7Very low95 Ų95131 Ų13166%0.66475%0.75SS**  cis-172.2157.5-18.251.50000114.3
175S33.3Very low29.5Very low104 Ų104134 Ų13473%0.72776%0.756SS**  trans62.6146.7146.152.60000122.2
176S33.5Very low29.3Very low97 Ų97136.2 Ų136.268%0.67876%0.757SS**  cis-175.9156.8-14.350.90000112.9
177S30.6Very low29.2Very low95 Ų95135.4 Ų135.466%0.66475%0.752SS**  trans57.3148.4147.557.40000121.2
178E27.6Very low29Very low181 Ų181137.8 Ų137.885%0.84676%0.758SS**  cis-179.6174.1-9.3-106.7169.6-104.700107.8
179S26.4Very low29Very low98 Ų98139.6 Ų139.669%0.68576%0.76SS**  cis-162.7-131.9-12.458.30000110.3
180I29.8Very low29Very low144 Ų144136.9 Ų136.974%0.73875%0.753SS**  trans75.498.3166.2-54.4-177.9000120.9
181L27.1Very low28.9Very low150 Ų150141.4 Ų141.479%0.78577%0.767SS**  trans63.4132.4134.6-61.2178.4000126.2
182N25.1Very low29.1Very low139 Ų139137.3 Ų137.374%0.74376%0.762SS**  trans101143.6133.7-84.810.5000123.9
183E25.4Very low29.7Very low188 Ų188137.8 Ų137.888%0.87976%0.758SS**  trans63.5109170.9-64.7-171.5-175.700119.9
184S26.9Very low31.1Very low113 Ų113131.7 Ų131.779%0.7974%0.735SS**  trans-156.211617065.60000113.1
185K24.5Very low33Very low207 Ų207128.5 Ų128.590%0.971%0.711SS**  trans173.298151.5-103.3171.6-178.5179.50111
186I25.5Very low35.1Very low163 Ų163124.1 Ų124.184%0.83668%0.679SS**  trans-168.3149.7159.9-106.2151.6000109.3
187S28.2Very low37.5Very low90 Ų90119.5 Ų119.563%0.62965%0.646SS**  trans42.4112.8169.758.80000119.8
188Q25.7Very low40.1Very low205 Ų205115.8 Ų115.896%0.95862%0.618SS**  trans-68129.3148.1-67.6173.1-29.300108.3
189D29.1Very low43.1Very low145 Ų145107.2 Ų107.278%0.77558%0.577SS**  trans-117.2159.4-174.2-143.8-29.1000113.7
190S28.2Very low46.2Very low89 Ų89102.5 Ų102.562%0.62255%0.545SS*.  trans-82.8173-164.5640000114.5S192S190-S192 VanDerWaalsContact C-N 3.33Å; S190-S192 PolarHBondContact O-N 2.85Å
191K28.1Very low49.1Very low211 Ų21195.7 Ų95.792%0.91751%0.51SS*.  trans-64.585.1176.9-67.7179.9179.3178.20111.3
192S35.2Very low52.3Low100 Ų10088.7 Ų88.770%0.69947%0.473SS*.PPolyproline II helixtrans-77.3122.3-174.654.60000113S190 S194S190-S192 VanDerWaalsContact C-N 3.33Å; S190-S192 PolarHBondContact O-N 2.85Å; S192-S194 PolarHBondContact O-N 3.4Å
193N46.7Very low55.5Low97 Ų9783 Ų8352%0.51944%0.443SS..PPolyproline II helixtrans-69.7118.7162.9-64.3-68000107.8Y151 L195Y151-N193 HydrophobicContact CD1-CB 4.18Å; N193-L195 PolarHBondContact O-N 3.36Å
194S63.2Low58.6Low54 Ų5481.4 Ų81.438%0.37843%0.434SS..EExtended strand (participates in β ladder)trans-74.6120.1178.816.70000109.9S152 V154 S192S152-S194 WeakPolarHBondContact CB-O 3.47Å; S152-S194 PolarHBondContact N-O 3.49Å; S152-S194 PolarHBondContact OG-O 3.03Å; S152-S194 PolarHBondContact OG-OG 2.89Å; S152-S194 VanDerWaalsContact OG-OG 3.1Å; V154-S194 WeakPolarHBondContact CG2-OG 3.28Å; S192-S194 PolarHBondContact O-N 3.4Å
195L72.9Confident61.7Low29 Ų2981.2 Ų81.215%0.15242%0.415CS..EExtended strand (participates in β ladder)trans-74.7134.9170.7-170.666.3000109.2E110 F111 M149 Y151 N193E110-L195 HydrophobicContact CB-CD2 3.49Å; E110-L195 VanDerWaalsContact CB-CD2 3.49Å; E110-L195 HydrophobicContact CG-CD2 4.1Å; F111-L195 HydrophobicContact CD2-CD2 4.08Å; F111-L195 HydrophobicContact CE2-CB 4.37Å; F111-L195 HydrophobicContact CE2-CD2 3.5Å; F111-L195 VanDerWaalsContact CE2-CD2 3.5Å; F111-L195 HydrophobicContact CE2-CG 3.62Å; F111-L195 HydrophobicContact CZ-CB 3.9Å; F111-L195 HydrophobicContact CZ-CD2 3.87Å; F111-L195 HydrophobicContact CZ-CG 3.62Å; F111-L195 VanDerWaalsContact CZ-O 3.31Å; F111-L195 WeakPolarHBondContact CZ-O 3.37Å; M149-L195 HydrophobicContact CE-CD2 3.85Å; Y151-L195 HydrophobicContact CD1-CB 4.38Å; Y151-L195 HydrophobicContact CD1-CD1 3.89Å; Y151-L195 HydrophobicContact CD2-CD1 3.99Å; Y151-L195 HydrophobicContact CE1-CB 4.35Å; Y151-L195 HydrophobicContact CE1-CD1 3.84Å; Y151-L195 HydrophobicContact CE2-CD1 3.94Å; Y151-L195 HydrophobicContact CG-CD1 3.97Å; N193-L195 PolarHBondContact O-N 3.36Å
196E76.9Confident64.9Low12 Ų1274.6 Ų74.66%0.05639%0.388CS..EExtended strand (participates in β ladder)trans-108151.9171.8-57.8-160.5151.700111M149 Q150 R198 R211M149-E196 VanDerWaalsContact CA-O 3.22Å; M149-E196 WeakPolarHBondContact CA-O 3.49Å; Q150-E196 PolarHBondContact N-O 3.46Å; Q150-E196 PolarHBondContact O-N 3.34Å; E196-R198 IonicContact OE2-CZ 2.79Å; E196-R198 VanDerWaalsContact OE2-CZ 3.31Å; E196-R198 IonicContact OE2-NE 2.96Å; E196-R198 PolarHBondContact OE2-NE 3.31Å; E196-R198 IonicContact OE2-NH2 3.18Å; E196-R198 PolarHBondContact OE2-NH2 3.13Å; E196-R211 IonicContact OE1-CZ 3.54Å; E196-R211 IonicContact OE1-NE 2.72Å; E196-R211 IonicContact OE1-NH2 3.56Å; E196-R211 PolarHBondContact OE1-NH2 3.43Å; E196-R211 IonicContact OE2-NE 3.71Å
197L85.2Confident68Low0 Ų066.9 Ų66.90%035%0.348CS..EExtended strand (participates in β ladder)trans-129.2125.9169.7166.564.9000109I108 F111 L113 H147 M149 I199 W212I108-L197 HydrophobicContact CD1-CD1 3.85Å; I108-L197 HydrophobicContact CD1-CD2 3.95Å; F111-L197 HydrophobicContact CD2-CB 4.13Å; F111-L197 HydrophobicContact CD2-CD2 4.31Å; F111-L197 HydrophobicContact CE2-CB 3.56Å; F111-L197 HydrophobicContact CZ-CB 3.87Å; L113-L197 HydrophobicContact CD1-CD2 3.76Å; H147-L197 HydrophobicContact CB-CD1 3.98Å; M149-L197 HydrophobicContact CG-CB 4.38Å; M149-L197 HydrophobicContact CG-CD1 3.74Å; L197-I199 HydrophobicContact CD1-CD1 4.46Å; L197-I199 HydrophobicContact CD1-CG1 4.12Å; L197-I199 HydrophobicContact CD2-CD1 4.4Å; L197-I199 HydrophobicContact CG-CD1 4.39Å; L197-I199 HydrophobicContact CG-CG1 4.23Å; L197-W212 HydrophobicContact CB-CB 3.91Å; L197-W212 HydrophobicContact CD2-CB 4.07Å; L197-W212 HydrophobicContact CD2-CG 4.23Å; L197-W212 HydrophobicContact CG-CB 4.05Å; L197-W212 WeakPolarHBondContact O-CB 3.17Å; L197-W212 PolarHBondContact O-N 2.85Å
198R85.7Confident71.1Confident17 Ų1764.1 Ų64.16%0.06432%0.324CS..EExtended strand (participates in β ladder)trans-121.9141.8178.1-55.3-178.9-173.8-157.3-6.8108.6H147 Y148 E196 W210 W233H147-R198 CarbonylContact C-O 3.6Å; H147-R198 VanDerWaalsContact CA-O 3.28Å; H147-R198 WeakPolarHBondContact CA-O 3.03Å; Y148-R198 PolarHBondContact N-O 2.97Å; Y148-R198 PolarHBondContact O-N 3.07Å; E196-R198 IonicContact OE2-CZ 2.79Å; E196-R198 VanDerWaalsContact OE2-CZ 3.31Å; E196-R198 IonicContact OE2-NE 2.96Å; E196-R198 PolarHBondContact OE2-NE 3.31Å; E196-R198 IonicContact OE2-NH2 3.18Å; E196-R198 PolarHBondContact OE2-NH2 3.13Å; R198-W210 WeakPolarHBondContact CA-O 3.46Å; R198-W233 HydrophobicContact CB-CH2 3.96Å; R198-W233 HydrophobicContact CB-CZ3 4.09Å; R198-W233 HydrophobicContact CG-CH2 4.32Å
199I89.1Confident74.1Confident0 Ų054.4 Ų54.40%028%0.279CS..EExtended strand (participates in β ladder)trans-133.2142.4-172.6-58.6-169.6000109.7L115 M122 T146 H147 L197 V201 W210 F219L115-I199 HydrophobicContact CD1-CD1 3.87Å; L115-I199 HydrophobicContact CD2-CD1 4.06Å; M122-I199 HydrophobicContact CE-CD1 3.84Å; M122-I199 HydrophobicContact CE-CG2 3.74Å; M122-I199 HydrophobicContact SD-CG2 3.93Å; T146-I199 WeakPolarHBondContact O-CA 3.34Å; H147-I199 HydrophobicContact CB-CG1 4.11Å; L197-I199 HydrophobicContact CD1-CD1 4.46Å; L197-I199 HydrophobicContact CD1-CG1 4.12Å; L197-I199 HydrophobicContact CD2-CD1 4.4Å; L197-I199 HydrophobicContact CG-CD1 4.39Å; L197-I199 HydrophobicContact CG-CG1 4.23Å; I199-V201 HydrophobicContact CG2-CG2 3.9Å; I199-W210 HydrophobicContact CB-CB 4.5Å; I199-W210 PolarHBondContact N-O 3.43Å; I199-W210 PolarHBondContact O-N 3.24Å; I199-F219 HydrophobicContact CD1-CE1 3.46Å; I199-F219 VanDerWaalsContact CD1-CE1 3.46Å; I199-F219 HydrophobicContact CD1-CZ 3.66Å; I199-F219 HydrophobicContact CG1-CE1 4.06Å
200C90.9Very high76.9Confident0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-120.2127.9168.5177.20000109.2F145 T146 Y208 F209 F248F145-C200 CarbonylContact C-O 3.57Å; F145-C200 WeakPolarHBondContact CA-O 3.5Å; T146-C200 HydrophobicContact CG2-CB 4Å; T146-C200 PolarHBondContact N-O 3.33Å; T146-C200 PolarHBondContact O-N 2.57Å; C200-Y208 WeakPolarHBondContact CA-O 3.33Å; C200-F209 HydrophobicContact CB-CD1 4Å; C200-F209 HydrophobicContact CB-CE1 3.96Å; C200-F248 HydrophobicContact CB-CE2 4.03Å; C200-F248 HydrophobicContact CB-CZ 3.77Å
201V92.4Very high79.6Confident0 Ų045.7 Ų45.70%022%0.221CC..EExtended strand (participates in β ladder)trans-115.3130.8-177-172.20000110.4M122 V136 A142 I199 L207 Y208M122-V201 HydrophobicContact CB-CG1 4.44Å; M122-V201 HydrophobicContact SD-CG2 3.54Å; M122-V201 VanDerWaalsContact SD-CG2 3.54Å; V136-V201 HydrophobicContact CG1-CG2 4.03Å; A142-V201 HydrophobicContact CB-CG1 3.62Å; I199-V201 HydrophobicContact CG2-CG2 3.9Å; V201-L207 WeakPolarHBondContact O-CA 3.38Å; V201-Y208 PolarHBondContact N-O 3.06Å; V201-Y208 PolarHBondContact O-N 2.78Å
202V93.7Very high82.3Confident4 Ų436.1 Ų36.12%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-103.8113.8-171.9-175.30000111.3A142 G143 L144 L207 V243 I246A142-V202 CarbonylContact C-O 3.59Å; A142-V202 WeakPolarHBondContact CA-O 3.46Å; G143-V202 PolarHBondContact N-O 3.27Å; L144-V202 HydrophobicContact CB-CB 3.99Å; L144-V202 HydrophobicContact CB-CG2 3.91Å; L144-V202 WeakPolarHBondContact O-CB 3.48Å; L144-V202 PolarHBondContact O-N 2.89Å; V202-L207 HydrophobicContact CB-CD2 4.32Å; V202-L207 HydrophobicContact CG1-CD2 4.26Å; V202-L207 HydrophobicContact CG2-CD2 3.76Å; V202-V243 HydrophobicContact CG1-CB 3.64Å; V202-V243 HydrophobicContact CG1-CG1 3.95Å; V202-V243 HydrophobicContact CG1-CG2 4.24Å; V202-V243 HydrophobicContact CG2-CG1 4.33Å; V202-I246 HydrophobicContact CG2-CD1 3.65Å; V202-I246 HydrophobicContact CG2-CG2 3.93Å
203V92.8Very high84.5Confident18 Ų1833.1 Ų33.111%0.10916%0.155CC..EExtended strand (participates in β ladder)trans-113.691.9173.6-175.90000109.3A142 R205 H206 Y208A142-V203 HydrophobicContact CB-CG2 4.16Å; V203-R205 PolarHBondContact O-N 3.29Å; V203-H206 PolarHBondContact N-O 2.94Å; V203-H206 PolarHBondContact O-N 3.31Å; V203-Y208 HydrophobicContact CB-CD2 4.48Å; V203-Y208 HydrophobicContact CB-CE2 3.96Å; V203-Y208 HydrophobicContact CG2-CD2 3.97Å; V203-Y208 HydrophobicContact CG2-CE2 3.77Å
204K89.5Confident86Confident155 Ų15532.1 Ų32.167%0.67415%0.154SC*.THydrogen-bonded Turntrans57.2-86.2-174.4-56.1176.5-178.7177.20113.7V242 V243K204-V242 WeakPolarHBondContact O-CA 3.39Å; K204-V243 PolarHBondContact O-N 2.8Å; K204-V243 VanDerWaalsContact O-N 3.17Å
205R91.6Very high86.7Confident109 Ų10938.8 Ų38.841%0.41118%0.177SC..THydrogen-bonded Turntrans-113.1-8.6-177.3-67.5-175.557.6178.4-8.6112.7V203 T238 I239 P240 V242V203-R205 PolarHBondContact O-N 3.29Å; R205-T238 WeakPolarHBondContact O-CA 3.42Å; R205-I239 VanDerWaalsContact CZ-O 3.26Å; R205-I239 PolarHBondContact NE-O 2.72Å; R205-I239 PolarHBondContact NH2-O 2.85Å; R205-I239 PolarHBondContact O-N 3.43Å; R205-P240 PolarHBondContact NE-O 2.83Å; R205-P240 PolarHBondContact NH1-O 2.86Å; R205-P240 PolarHBondContact NH2-O 3.45Å; R205-P240 VanDerWaalsContact NH2-O 3.08Å; R205-V242 HydrophobicContact CG-CG2 4.12Å
206H92Very high87Confident69 Ų6940.9 Ų40.932%0.31919%0.19SC..EExtended strand (participates in β ladder)trans-103.5136-177.9-50.8-79.9000110V203 Y208 M237 T238V203-H206 PolarHBondContact N-O 2.94Å; V203-H206 PolarHBondContact O-N 3.31Å; H206-Y208 HydrophobicContact CB-CE2 4.01Å; H206-M237 CarbonylContact C-O 3.54Å; H206-M237 WeakPolarHBondContact CA-O 3.11Å; H206-T238 PolarHBondContact CE1-OG1 3.39Å; H206-T238 PolarHBondContact ND1-OG1 2.89Å
207L92Very high87.1Confident0 Ų047.2 Ų47.20%021%0.214CC..EExtended strand (participates in β ladder)trans-102.9134168.3-58.4-171.5000108.5V201 V202 F209 E236 M237 I239 V243 I246 L254V201-L207 WeakPolarHBondContact O-CA 3.38Å; V202-L207 HydrophobicContact CB-CD2 4.32Å; V202-L207 HydrophobicContact CG1-CD2 4.26Å; V202-L207 HydrophobicContact CG2-CD2 3.76Å; L207-F209 HydrophobicContact CB-CE2 4.17Å; L207-F209 HydrophobicContact CB-CZ 4.29Å; L207-F209 HydrophobicContact CD1-CZ 4.21Å; L207-E236 CarbonylContact O-C 3.55Å; L207-E236 WeakPolarHBondContact O-CA 3.31Å; L207-M237 HydrophobicContact CB-CB 4.5Å; L207-M237 HydrophobicContact CD1-CE 3.88Å; L207-M237 PolarHBondContact N-O 2.76Å; L207-M237 PolarHBondContact O-N 2.87Å; L207-I239 HydrophobicContact CD1-CD1 3.58Å; L207-I239 HydrophobicContact CD2-CD1 4.2Å; L207-I239 HydrophobicContact CG-CD1 3.73Å; L207-V243 HydrophobicContact CD2-CG2 4.45Å; L207-I246 HydrophobicContact CD1-CD1 4.14Å; L207-I246 HydrophobicContact CD2-CD1 3.59Å; L207-L254 HydrophobicContact CD1-CD2 3.44Å; L207-L254 VanDerWaalsContact CD1-CD2 3.44Å
208Y91.6Very high87Confident33 Ų3352.5 Ų52.513%0.12924%0.239CC..EExtended strand (participates in β ladder)trans-117129.8171-62.2-81.6000110N138 C200 V201 V203 H206 N235 E236N138-Y208 HydrophobicContact CB-CD1 3.86Å; N138-Y208 HydrophobicContact CB-CD2 4.11Å; N138-Y208 HydrophobicContact CB-CE1 3.83Å; N138-Y208 HydrophobicContact CB-CE2 4.08Å; N138-Y208 HydrophobicContact CB-CG 3.99Å; N138-Y208 WeakPolarHBondContact ND2-CE1 3.27Å; C200-Y208 WeakPolarHBondContact CA-O 3.33Å; V201-Y208 PolarHBondContact N-O 3.06Å; V201-Y208 PolarHBondContact O-N 2.78Å; V203-Y208 HydrophobicContact CB-CD2 4.48Å; V203-Y208 HydrophobicContact CB-CE2 3.96Å; V203-Y208 HydrophobicContact CG2-CD2 3.97Å; V203-Y208 HydrophobicContact CG2-CE2 3.77Å; H206-Y208 HydrophobicContact CB-CE2 4.01Å; Y208-N235 WeakPolarHBondContact CA-O 3.34Å; Y208-E236 HydrophobicContact CD1-CB 3.76Å; Y208-E236 HydrophobicContact CE1-CB 3.77Å; Y208-E236 WeakPolarHBondContact CE1-OE2 3.45Å
209F89.6Confident86.7Confident0 Ų052.5 Ų52.50%024%0.239CC..EExtended strand (participates in β ladder)trans-102.5140.5-177.1-63.7-82.8000111.4C200 L207 P222 W233 P234 N235 M237 L254 I267C200-F209 HydrophobicContact CB-CD1 4Å; C200-F209 HydrophobicContact CB-CE1 3.96Å; L207-F209 HydrophobicContact CB-CE2 4.17Å; L207-F209 HydrophobicContact CB-CZ 4.29Å; L207-F209 HydrophobicContact CD1-CZ 4.21Å; F209-P222 HydrophobicContact CB-CG 3.98Å; F209-P222 WeakPolarHBondContact O-CD 3.31Å; F209-W233 HydrophobicContact CB-CE3 4.07Å; F209-W233 HydrophobicContact CD1-CE3 4.04Å; F209-W233 HydrophobicContact CD1-CZ3 4.05Å; F209-W233 HydrophobicContact CG-CE3 4.28Å; F209-P234 WeakPolarHBondContact CD2-O 3.48Å; F209-P234 HydrophobicContact CE2-CG 4.49Å; F209-N235 PolarHBondContact N-O 2.7Å; F209-N235 VanDerWaalsContact N-O 3.15Å; F209-M237 HydrophobicContact CE2-CB 4.12Å; F209-M237 HydrophobicContact CE2-CE 4.05Å; F209-M237 HydrophobicContact CZ-CE 3.87Å; F209-L254 HydrophobicContact CE1-CD2 4.01Å; F209-L254 HydrophobicContact CZ-CD2 3.93Å; F209-I267 HydrophobicContact CD1-CG2 4.5Å; F209-I267 HydrophobicContact CE1-CD1 4.11Å; F209-I267 HydrophobicContact CE1-CG1 4.28Å; F209-I267 HydrophobicContact CE1-CG2 4.14Å; F209-I267 HydrophobicContact CE2-CG2 4.38Å; F209-I267 HydrophobicContact CZ-CG1 4.32Å; F209-I267 HydrophobicContact CZ-CG2 4.08Å
210W88.1Confident86.3Confident15 Ų1553.8 Ų53.86%0.05725%0.246CC..EExtended strand (participates in β ladder)trans-145.3140.1-173-66.597.7000111.7V136 P137 R198 I199 F219 C221V136-W210 HydrophobicContact CG1-CB 4.42Å; V136-W210 HydrophobicContact CG1-CD2 3.88Å; V136-W210 HydrophobicContact CG1-CG 3.64Å; P137-W210 HydrophobicContact CB-CH2 3.5Å; P137-W210 VanDerWaalsContact CB-CH2 3.5Å; P137-W210 HydrophobicContact CB-CZ2 3.66Å; P137-W210 HydrophobicContact CB-CZ3 4.33Å; P137-W210 HydrophobicContact CG-CH2 3.54Å; P137-W210 HydrophobicContact CG-CZ2 4.02Å; P137-W210 HydrophobicContact CG-CZ3 3.87Å; P137-W210 WeakPolarHBondContact O-CZ2 3.28Å; R198-W210 WeakPolarHBondContact CA-O 3.46Å; I199-W210 HydrophobicContact CB-CB 4.5Å; I199-W210 PolarHBondContact N-O 3.43Å; I199-W210 PolarHBondContact O-N 3.24Å; W210-F219 HydrophobicContact CB-CB 4.2Å; W210-F219 HydrophobicContact CB-CD1 3.92Å; W210-F219 HydrophobicContact CB-CG 4.36Å; W210-F219 HydrophobicContact CD2-CB 4.27Å; W210-F219 HydrophobicContact CE3-CB 3.73Å; W210-F219 HydrophobicContact CG-CB 4.48Å; W210-C221 VanDerWaalsContact CH2-SG 3.57Å; W210-C221 HydrophobicContact CZ3-CB 4.48Å; W210-C221 WeakPolarHBondContact CZ3-SG 3.27Å
211R84.5Confident85.4Confident36 Ų3656.4 Ų56.414%0.13626%0.264CS..EExtended strand (participates in β ladder)trans-113.4128.2174.1-177.6172.2178.2-119.5-6.3110.8E196 F219 L220 D227 T230E196-R211 IonicContact OE1-CZ 3.54Å; E196-R211 IonicContact OE1-NE 2.72Å; E196-R211 IonicContact OE1-NH2 3.56Å; E196-R211 PolarHBondContact OE1-NH2 3.43Å; E196-R211 IonicContact OE2-NE 3.71Å; R211-F219 CarbonylContact O-C 3.51Å; R211-F219 WeakPolarHBondContact O-CA 3.3Å; R211-L220 PolarHBondContact N-O 3.21Å; R211-L220 PolarHBondContact O-N 2.97Å; R211-D227 VanDerWaalsContact CD-OD1 3.27Å; R211-D227 WeakPolarHBondContact CD-OD1 3.17Å; R211-D227 IonicContact CZ-OD1 3.65Å; R211-D227 IonicContact NE-OD1 2.77Å; R211-D227 IonicContact NH1-OD1 2.65Å; R211-D227 PolarHBondContact NH1-OD1 2.82Å; R211-T230 WeakPolarHBondContact CD-OG1 3.39Å
212W85.7Confident84.1Confident10 Ų1056.5 Ų56.54%0.03826%0.264CS..EExtended strand (participates in β ladder)trans-75.3124175.1-179.5-115.7000110.7F111 L113 I133 T134 L197 P214 R217 F219F111-W212 AromaticContact CD1-CD1 3.81Å; F111-W212 AromaticContact CD1-NE1 3.86Å; F111-W212 AromaticContact CE1-CD1 3.94Å; L113-W212 HydrophobicContact CD1-CD2 4.16Å; L113-W212 HydrophobicContact CD1-CG 4.48Å; L113-W212 HydrophobicContact CD1-CZ2 3.98Å; L113-W212 HydrophobicContact CD2-CH2 4.2Å; L113-W212 HydrophobicContact CD2-CZ2 3.77Å; L113-W212 HydrophobicContact CG-CZ2 4.48Å; I133-W212 HydrophobicContact CG2-CH2 4.09Å; T134-W212 HydrophobicContact CG2-CZ3 4.01Å; L197-W212 HydrophobicContact CB-CB 3.91Å; L197-W212 HydrophobicContact CD2-CB 4.07Å; L197-W212 HydrophobicContact CD2-CG 4.23Å; L197-W212 HydrophobicContact CG-CB 4.05Å; L197-W212 WeakPolarHBondContact O-CB 3.17Å; L197-W212 PolarHBondContact O-N 2.85Å; W212-P214 WeakPolarHBondContact O-CD 3.37Å; W212-R217 VanDerWaalsContact CH2-CA 3.5Å; W212-R217 HydrophobicContact CH2-CB 3.83Å; W212-R217 WeakPolarHBondContact CH2-O 3.36Å; W212-R217 HydrophobicContact CZ2-CB 4.02Å; W212-R217 HydrophobicContact CZ2-CG 4.42Å; W212-R217 WeakPolarHBondContact CZ3-O 3.41Å; W212-F219 HydrophobicContact CB-CD1 4.26Å; W212-F219 HydrophobicContact CB-CE1 3.81Å; W212-F219 HydrophobicContact CB-CZ 4.47Å; W212-F219 HydrophobicContact CD2-CE1 4.34Å; W212-F219 HydrophobicContact CD2-CZ 4.19Å; W212-F219 HydrophobicContact CE3-CD1 4.07Å; W212-F219 AromaticContact CE3-CD2 3.84Å; W212-F219 HydrophobicContact CE3-CD2 3.84Å; W212-F219 AromaticContact CE3-CE1 3.7Å; W212-F219 HydrophobicContact CE3-CE1 3.7Å; W212-F219 AromaticContact CE3-CE2 3.44Å; W212-F219 HydrophobicContact CE3-CE2 3.44Å; W212-F219 VanDerWaalsContact CE3-CE2 3.44Å; W212-F219 HydrophobicContact CE3-CG 4.13Å; W212-F219 AromaticContact CE3-CZ 3.37Å; W212-F219 HydrophobicContact CE3-CZ 3.37Å; W212-F219 HydrophobicContact CG-CE1 4.45Å; W212-F219 AromaticContact CZ3-CD2 3.97Å; W212-F219 HydrophobicContact CZ3-CD2 3.97Å; W212-F219 AromaticContact CZ3-CE2 3.53Å; W212-F219 HydrophobicContact CZ3-CE2 3.53Å; W212-F219 AromaticContact CZ3-CZ 3.9Å; W212-F219 HydrophobicContact CZ3-CZ 3.9Å
213N81.3Confident82.5Confident37 Ų3758.6 Ų58.620%0.19829%0.286CS..EExtended strand (participates in β ladder)trans-97106.7169-178-8.3000109.6K215 T216 R217 E218 L220N213-K215 PolarHBondContact O-N 3.39Å; N213-K215 VanDerWaalsContact O-N 3.14Å; N213-K215 WeakPolarHBondContact OD1-CB 3.49Å; N213-K215 PolarHBondContact OD1-N 2.96Å; N213-T216 WeakPolarHBondContact CB-OG1 3.22Å; N213-T216 PolarHBondContact ND2-OG1 2.95Å; N213-T216 PolarHBondContact O-N 3.36Å; N213-R217 WeakPolarHBondContact O-CA 3.3Å; N213-R217 PolarHBondContact O-N 3.13Å; N213-E218 PolarHBondContact N-O 2.83Å; N213-L220 HydrophobicContact CB-CD1 4.02Å; N213-L220 HydrophobicContact CB-CG 4.12Å
214P77.1Confident81Confident76 Ų7659.4 Ų59.449%0.49430%0.298SS..THydrogen-bonded Turntrans-67.7-13.6-177.828.1-35.4000113.9F111 W212F111-P214 HydrophobicContact CD1-CB 4.41Å; F111-P214 HydrophobicContact CE1-CB 4.27Å; W212-P214 WeakPolarHBondContact O-CD 3.37Å
215K77.7Confident79.3Confident195 Ų19557.3 Ų57.385%0.84830%0.303SS*.THydrogen-bonded Turntrans-81.1-47.7176-64.3-175.1177.8-178.50112.3N213N213-K215 PolarHBondContact O-N 3.39Å; N213-K215 VanDerWaalsContact O-N 3.14Å; N213-K215 WeakPolarHBondContact OD1-CB 3.49Å; N213-K215 PolarHBondContact OD1-N 2.96Å
216T79.2Confident77.7Confident72 Ų7257.4 Ų57.444%0.44231%0.312SS..THydrogen-bonded Turntrans-85.4-19.1179.259.60000113.1N213 E218N213-T216 WeakPolarHBondContact CB-OG1 3.22Å; N213-T216 PolarHBondContact ND2-OG1 2.95Å; N213-T216 PolarHBondContact O-N 3.36Å; T216-E218 VanDerWaalsContact C-N 3.27Å; T216-E218 PolarHBondContact OG1-N 3.18Å
217R80.5Confident76.1Confident145 Ų14554.3 Ų54.355%0.54730%0.298SS..THydrogen-bonded Turntrans62.232.7-170.6-54.9-177.6174.6-168.6-0.5113.5I133 W212 N213I133-R217 HydrophobicContact CG2-CB 3.99Å; W212-R217 VanDerWaalsContact CH2-CA 3.5Å; W212-R217 HydrophobicContact CH2-CB 3.83Å; W212-R217 WeakPolarHBondContact CH2-O 3.36Å; W212-R217 HydrophobicContact CZ2-CB 4.02Å; W212-R217 HydrophobicContact CZ2-CG 4.42Å; W212-R217 WeakPolarHBondContact CZ3-O 3.41Å; N213-R217 WeakPolarHBondContact O-CA 3.3Å; N213-R217 PolarHBondContact O-N 3.13Å
218E81.7Confident74.4Confident111 Ų11161.5 Ų61.552%0.51934%0.336SS..EExtended strand (participates in β ladder)trans-123.7163.6179.5-64.8179136.100111.4N213 T216N213-E218 PolarHBondContact N-O 2.83Å; T216-E218 VanDerWaalsContact C-N 3.27Å; T216-E218 PolarHBondContact OG1-N 3.18Å
219F80.7Confident72.9Confident18 Ų1864.6 Ų64.68%0.07935%0.354CS..EExtended strand (participates in β ladder)trans-95.8117.3172.2-73.4-79.3000110V124 T134 V136 I199 W210 R211 W212V124-F219 HydrophobicContact CB-CE2 4.26Å; V124-F219 HydrophobicContact CG2-CE2 3.56Å; V124-F219 HydrophobicContact CG2-CZ 3.87Å; T134-F219 HydrophobicContact CG2-CD2 3.92Å; T134-F219 HydrophobicContact CG2-CE2 3.94Å; V136-F219 HydrophobicContact CG2-CD2 3.98Å; V136-F219 HydrophobicContact CG2-CE2 3.92Å; V136-F219 HydrophobicContact CG2-CZ 4.43Å; I199-F219 HydrophobicContact CD1-CE1 3.46Å; I199-F219 VanDerWaalsContact CD1-CE1 3.46Å; I199-F219 HydrophobicContact CD1-CZ 3.66Å; I199-F219 HydrophobicContact CG1-CE1 4.06Å; W210-F219 HydrophobicContact CB-CB 4.2Å; W210-F219 HydrophobicContact CB-CD1 3.92Å; W210-F219 HydrophobicContact CB-CG 4.36Å; W210-F219 HydrophobicContact CD2-CB 4.27Å; W210-F219 HydrophobicContact CE3-CB 3.73Å; W210-F219 HydrophobicContact CG-CB 4.48Å; R211-F219 CarbonylContact O-C 3.51Å; R211-F219 WeakPolarHBondContact O-CA 3.3Å; W212-F219 HydrophobicContact CB-CD1 4.26Å; W212-F219 HydrophobicContact CB-CE1 3.81Å; W212-F219 HydrophobicContact CB-CZ 4.47Å; W212-F219 HydrophobicContact CD2-CE1 4.34Å; W212-F219 HydrophobicContact CD2-CZ 4.19Å; W212-F219 HydrophobicContact CE3-CD1 4.07Å; W212-F219 AromaticContact CE3-CD2 3.84Å; W212-F219 HydrophobicContact CE3-CD2 3.84Å; W212-F219 AromaticContact CE3-CE1 3.7Å; W212-F219 HydrophobicContact CE3-CE1 3.7Å; W212-F219 AromaticContact CE3-CE2 3.44Å; W212-F219 HydrophobicContact CE3-CE2 3.44Å; W212-F219 VanDerWaalsContact CE3-CE2 3.44Å; W212-F219 HydrophobicContact CE3-CG 4.13Å; W212-F219 AromaticContact CE3-CZ 3.37Å; W212-F219 HydrophobicContact CE3-CZ 3.37Å; W212-F219 HydrophobicContact CG-CE1 4.45Å; W212-F219 AromaticContact CZ3-CD2 3.97Å; W212-F219 HydrophobicContact CZ3-CD2 3.97Å; W212-F219 AromaticContact CZ3-CE2 3.53Å; W212-F219 HydrophobicContact CZ3-CE2 3.53Å; W212-F219 AromaticContact CZ3-CZ 3.9Å; W212-F219 HydrophobicContact CZ3-CZ 3.9Å
220L78.9Confident71.5Confident26 Ų2664.7 Ų64.714%0.13635%0.354CS..EExtended strand (participates in β ladder)trans-82.4139.6173.3-60.2178.9000110.3R211 N213 D226R211-L220 PolarHBondContact N-O 3.21Å; R211-L220 PolarHBondContact O-N 2.97Å; N213-L220 HydrophobicContact CB-CD1 4.02Å; N213-L220 HydrophobicContact CB-CG 4.12Å; L220-D226 HydrophobicContact CD1-CB 4.16Å; L220-D226 HydrophobicContact CD2-CB 4.36Å
221C72Confident70.2Confident56 Ų5668.3 Ų68.338%0.37838%0.38SS..PPolyproline II helixtrans-65128.6163.2-690000109.8W210 G224 N235W210-C221 VanDerWaalsContact CH2-SG 3.57Å; W210-C221 HydrophobicContact CZ3-CB 4.48Å; W210-C221 WeakPolarHBondContact CZ3-SG 3.27Å; C221-G224 PolarHBondContact O-N 3.4Å; C221-N235 VanDerWaalsContact CB-OD1 3.27Å; C221-N235 WeakPolarHBondContact CB-OD1 3.45Å
222P65.9Low69.3Low1 Ų169.6 Ų69.61%0.00640%0.395CS..THydrogen-bonded Turntrans-57.4140170-23.634.5000111.9F209 G224 W233 N235F209-P222 HydrophobicContact CB-CG 3.98Å; F209-P222 WeakPolarHBondContact O-CD 3.31Å; P222-G224 PolarHBondContact O-N 2.79Å; P222-W233 HydrophobicContact CB-CB 3.76Å; P222-W233 WeakPolarHBondContact CB-O 3.46Å; P222-W233 HydrophobicContact CG-CB 4.29Å; P222-W233 HydrophobicContact CG-CE3 4.48Å; P222-N235 PolarHBondContact O-OD1 2.96Å
223G60.4Low68.8Low48 Ų4869.8 Ų69.850%0.49540%0.395SS..THydrogen-bonded Turntrans74.44.4-175.400000115.8T230G223-T230 PolarHBondContact N-O 2.81Å
224G60.7Low68.8Low35 Ų3570.1 Ų70.136%0.36140%0.4SS..SBendtrans-67.2159.2164.500000112.2C221 P222 D226 D227C221-G224 PolarHBondContact O-N 3.4Å; P222-G224 PolarHBondContact O-N 2.79Å; G224-D226 PolarHBondContact O-N 3.12Å; G224-D227 PolarHBondContact O-N 3.18Å
225S53.8Low68.9Low111 Ų11170.5 Ų70.578%0.77640%0.397SS*.THydrogen-bonded Turntrans-51.2-29.8178.347.40000114.2
226D57.4Low69.4Low112 Ų11266.1 Ų66.160%0.59938%0.38SS*.THydrogen-bonded Turntrans-93.3-8.4-170.5-55.86.4000111.8L220 G224L220-D226 HydrophobicContact CD1-CB 4.16Å; L220-D226 HydrophobicContact CD2-CB 4.36Å; G224-D226 PolarHBondContact O-N 3.12Å
227D59.1Low69.8Low4 Ų463.5 Ų63.52%0.02136%0.363CS..  trans-102.474.6-178.9-17320.6000113.2R211 G224 L229 T230R211-D227 VanDerWaalsContact CD-OD1 3.27Å; R211-D227 WeakPolarHBondContact CD-OD1 3.17Å; R211-D227 IonicContact CZ-OD1 3.65Å; R211-D227 IonicContact NE-OD1 2.77Å; R211-D227 IonicContact NH1-OD1 2.65Å; R211-D227 PolarHBondContact NH1-OD1 2.82Å; G224-D227 PolarHBondContact O-N 3.18Å; D227-L229 PolarHBondContact O-N 2.78Å; D227-L229 PolarHBondContact OD1-N 3.3Å; D227-T230 PolarHBondContact OD1-N 3.41Å; D227-T230 VanDerWaalsContact OD1-N 3.13Å; D227-T230 PolarHBondContact OD1-OG1 3.39Å; D227-T230 WeakPolarHBondContact OD2-CA 3.29Å; D227-T230 WeakPolarHBondContact OD2-CB 3.2Å; D227-T230 PolarHBondContact OD2-N 2.79Å; D227-T230 PolarHBondContact OD2-OG1 2.78Å
228L56.4Low70.2Confident151 Ų15159.8 Ų59.879%0.79136%0.356SS*.THydrogen-bonded Turntrans-62.8-1.9176.4-59.6174.8000115.1
229L59.1Low70.6Confident97 Ų9754.5 Ų54.551%0.50833%0.332SS..THydrogen-bonded Turntrans-131.1-8.5-168.1-72159.9000114.9D227 P231D227-L229 PolarHBondContact O-N 2.78Å; D227-L229 PolarHBondContact OD1-N 3.3Å; L229-P231 VanDerWaalsContact C-CD 3.43Å
230T61.7Low70.8Confident2 Ų257.3 Ų57.31%0.01235%0.351CS..  trans-131.346.9163.411.50000114.7R211 G223 D227 S232 W233R211-T230 WeakPolarHBondContact CD-OG1 3.39Å; G223-T230 PolarHBondContact N-O 2.81Å; D227-T230 PolarHBondContact OD1-N 3.41Å; D227-T230 VanDerWaalsContact OD1-N 3.13Å; D227-T230 PolarHBondContact OD1-OG1 3.39Å; D227-T230 WeakPolarHBondContact OD2-CA 3.29Å; D227-T230 WeakPolarHBondContact OD2-CB 3.2Å; D227-T230 PolarHBondContact OD2-N 2.79Å; D227-T230 PolarHBondContact OD2-OG1 2.78Å; T230-S232 PolarHBondContact O-N 2.9Å; T230-S232 VanDerWaalsContact O-N 3.07Å; T230-W233 HydrophobicContact CG2-CB 4.35Å; T230-W233 HydrophobicContact CG2-CD2 3.58Å; T230-W233 HydrophobicContact CG2-CE3 4.1Å; T230-W233 HydrophobicContact CG2-CG 3.69Å; T230-W233 HydrophobicContact CG2-CZ2 4.36Å; T230-W233 PolarHBondContact O-N 3.24Å
231P60Low71.2Confident92 Ų9259.5 Ų59.560%0.59736%0.361SS*.THydrogen-bonded Turntrans-67.6-7.5177.431.7-37.9000114.5L229L229-P231 VanDerWaalsContact C-CD 3.43Å
232S65.6Low71.9Confident63 Ų6360.8 Ų60.844%0.44137%0.367SS..THydrogen-bonded Turntrans-110.14.7-175.359.60000115T230T230-S232 PolarHBondContact O-N 2.9Å; T230-S232 VanDerWaalsContact O-N 3.07Å
233W76.5Confident73.1Confident13 Ų1361.2 Ų61.25%0.04937%0.37CS..SBendtrans-96.7141172.3-75.914.9000109.9R198 F209 P222 T230 F248 L251 I267R198-W233 HydrophobicContact CB-CH2 3.96Å; R198-W233 HydrophobicContact CB-CZ3 4.09Å; R198-W233 HydrophobicContact CG-CH2 4.32Å; F209-W233 HydrophobicContact CB-CE3 4.07Å; F209-W233 HydrophobicContact CD1-CE3 4.04Å; F209-W233 HydrophobicContact CD1-CZ3 4.05Å; F209-W233 HydrophobicContact CG-CE3 4.28Å; P222-W233 HydrophobicContact CB-CB 3.76Å; P222-W233 WeakPolarHBondContact CB-O 3.46Å; P222-W233 HydrophobicContact CG-CB 4.29Å; P222-W233 HydrophobicContact CG-CE3 4.48Å; T230-W233 HydrophobicContact CG2-CB 4.35Å; T230-W233 HydrophobicContact CG2-CD2 3.58Å; T230-W233 HydrophobicContact CG2-CE3 4.1Å; T230-W233 HydrophobicContact CG2-CG 3.69Å; T230-W233 HydrophobicContact CG2-CZ2 4.36Å; T230-W233 PolarHBondContact O-N 3.24Å; W233-F248 AromaticContact CH2-CE1 3.78Å; W233-F248 HydrophobicContact CH2-CE1 3.78Å; W233-F248 HydrophobicContact CH2-CZ 4.27Å; W233-F248 HydrophobicContact CZ3-CE1 4.32Å; W233-L251 WeakPolarHBondContact CZ2-O 3.34Å; W233-L251 PolarHBondContact NE1-O 3.3Å; W233-L251 VanDerWaalsContact NE1-O 3.14Å; W233-I267 HydrophobicContact CB-CG2 4.13Å; W233-I267 HydrophobicContact CD2-CG2 3.77Å; W233-I267 HydrophobicContact CE3-CG2 4.38Å; W233-I267 HydrophobicContact CG-CG2 3.62Å; W233-I267 HydrophobicContact CH2-CD1 4.39Å; W233-I267 HydrophobicContact CZ2-CD1 4.08Å
234P79.6Confident74.3Confident45 Ų4562.9 Ų62.929%0.29236%0.361SS..  trans-74.3152.6172.532.3-35.6000111.3F209 I267F209-P234 WeakPolarHBondContact CD2-O 3.48Å; F209-P234 HydrophobicContact CE2-CG 4.49Å; P234-I267 WeakPolarHBondContact CD-O 3.45Å
235N80.9Confident75.6Confident83 Ų8362.1 Ų62.144%0.44435%0.35SS..SBendtrans-66.1-39173.9-75.5-57.3000112.7Y208 F209 C221 P222Y208-N235 WeakPolarHBondContact CA-O 3.34Å; F209-N235 PolarHBondContact N-O 2.7Å; F209-N235 VanDerWaalsContact N-O 3.15Å; C221-N235 VanDerWaalsContact CB-OD1 3.27Å; C221-N235 WeakPolarHBondContact CB-OD1 3.45Å; P222-N235 PolarHBondContact O-OD1 2.96Å
236E87.5Confident77.3Confident104 Ų10457.8 Ų57.849%0.48632%0.318SS..EExtended strand (participates in β ladder)trans-139.6156.217964.3171.8-142.600112.2L207 Y208L207-E236 CarbonylContact O-C 3.55Å; L207-E236 WeakPolarHBondContact O-CA 3.31Å; Y208-E236 HydrophobicContact CD1-CB 3.76Å; Y208-E236 HydrophobicContact CE1-CB 3.77Å; Y208-E236 WeakPolarHBondContact CE1-OE2 3.45Å
237M87.5Confident78.8Confident17 Ų1753.3 Ų53.38%0.08430%0.296CS..EExtended strand (participates in β ladder)trans-147.9138.9175.8-173.7165.962.800110.4H206 L207 F209 I265 M272H206-M237 CarbonylContact C-O 3.54Å; H206-M237 WeakPolarHBondContact CA-O 3.11Å; L207-M237 HydrophobicContact CB-CB 4.5Å; L207-M237 HydrophobicContact CD1-CE 3.88Å; L207-M237 PolarHBondContact N-O 2.76Å; L207-M237 PolarHBondContact O-N 2.87Å; F209-M237 HydrophobicContact CE2-CB 4.12Å; F209-M237 HydrophobicContact CE2-CE 4.05Å; F209-M237 HydrophobicContact CZ-CE 3.87Å; M237-I265 HydrophobicContact CE-CB 4.1Å; M237-I265 HydrophobicContact CE-CD1 4.11Å; M237-I265 HydrophobicContact CE-CG2 3.41Å; M237-I265 VanDerWaalsContact CE-CG2 3.41Å; M237-I265 HydrophobicContact SD-CG2 3.58Å; M237-I265 VanDerWaalsContact SD-CG2 3.58Å; M237-M272 HydrophobicContact CG-CE 4.24Å; M237-M272 HydrophobicContact SD-CE 4.42Å
238T89.5Confident80Confident66 Ų6653.4 Ų53.441%0.40530%0.296SS..EExtended strand (participates in β ladder)trans-114.7133.2-173-58.70000111.8R205 H206R205-T238 WeakPolarHBondContact O-CA 3.42Å; H206-T238 PolarHBondContact CE1-OG1 3.39Å; H206-T238 PolarHBondContact ND1-OG1 2.89Å
239I88.7Confident80.9Confident1 Ų146.4 Ų46.41%0.00526%0.26CS..  trans-111152.5-169.3-65.7-177.2000111.1R205 L207 E241 V243 V256 L263 I265R205-I239 VanDerWaalsContact CZ-O 3.26Å; R205-I239 PolarHBondContact NE-O 2.72Å; R205-I239 PolarHBondContact NH2-O 2.85Å; R205-I239 PolarHBondContact O-N 3.43Å; L207-I239 HydrophobicContact CD1-CD1 3.58Å; L207-I239 HydrophobicContact CD2-CD1 4.2Å; L207-I239 HydrophobicContact CG-CD1 3.73Å; I239-E241 VanDerWaalsContact C-N 3.35Å; I239-E241 PolarHBondContact O-N 3.22Å; I239-V243 HydrophobicContact CD1-CG2 3.9Å; I239-V243 HydrophobicContact CG2-CG2 4.28Å; I239-V256 HydrophobicContact CD1-CB 4.5Å; I239-V256 HydrophobicContact CD1-CG1 3.99Å; I239-V256 HydrophobicContact CD1-CG2 4.03Å; I239-L263 HydrophobicContact CG2-CD1 4.43Å; I239-I265 HydrophobicContact CD1-CD1 3.44Å; I239-I265 VanDerWaalsContact CD1-CD1 3.44Å; I239-I265 HydrophobicContact CG1-CD1 3.88Å
240P85Confident81.6Confident76 Ų7641.9 Ų41.949%0.49424%0.236SC..SBendtrans-58.2-36.7-179.1-29.537.8000115.5R205R205-P240 PolarHBondContact NE-O 2.83Å; R205-P240 PolarHBondContact NH1-O 2.86Å; R205-P240 PolarHBondContact NH2-O 3.45Å; R205-P240 VanDerWaalsContact NH2-O 3.08Å
241E86.9Confident82Confident72 Ų7244.5 Ų44.534%0.33625%0.25SC..SBendtrans-126.7172-178.3-77.4-150.1123.400113I239 V243 H258 R259I239-E241 VanDerWaalsContact C-N 3.35Å; I239-E241 PolarHBondContact O-N 3.22Å; E241-V243 PolarHBondContact O-N 3.3Å; E241-H258 HydrophobicContact CB-CB 3.68Å; E241-H258 IonicContact OE2-CE1 3.65Å; E241-H258 IonicContact OE2-CG 2.71Å; E241-H258 IonicContact OE2-ND1 2.76Å; E241-H258 PolarHBondContact OE2-ND1 3.29Å; E241-R259 WeakPolarHBondContact OE2-CA 3.42Å; E241-R259 WeakPolarHBondContact OE2-CB 3.2Å; E241-R259 PolarHBondContact OE2-N 2.85Å
242V88.6Confident82.8Confident83 Ų8342 Ų4250%0.50323%0.234SC..  trans-70.5121.7172.8177.40000109.8K204 R205K204-V242 WeakPolarHBondContact O-CA 3.39Å; R205-V242 HydrophobicContact CG-CG2 4.12Å
243V89.6Confident83.5Confident10 Ų1041 Ų416%0.06122%0.222CC..  trans-67.9134.9-179.6174.20000110.9L144 V202 K204 L207 I239 E241 S245 I246 V256L144-V243 HydrophobicContact CD1-CG1 4.26Å; V202-V243 HydrophobicContact CG1-CB 3.64Å; V202-V243 HydrophobicContact CG1-CG1 3.95Å; V202-V243 HydrophobicContact CG1-CG2 4.24Å; V202-V243 HydrophobicContact CG2-CG1 4.33Å; K204-V243 PolarHBondContact O-N 2.8Å; K204-V243 VanDerWaalsContact O-N 3.17Å; L207-V243 HydrophobicContact CD2-CG2 4.45Å; I239-V243 HydrophobicContact CD1-CG2 3.9Å; I239-V243 HydrophobicContact CG2-CG2 4.28Å; E241-V243 PolarHBondContact O-N 3.3Å; V243-S245 WeakPolarHBondContact CG1-O 3.34Å; V243-I246 HydrophobicContact CG1-CB 4.17Å; V243-V256 HydrophobicContact CB-CG1 4.17Å; V243-V256 HydrophobicContact CG1-CG1 3.8Å; V243-V256 HydrophobicContact CG2-CG1 3.52Å
244R87Confident84Confident83 Ų8340.3 Ų40.331%0.31322%0.22SC..SBendtrans-116.2-26.4-178.5-73.5171134.9-155.2-9.7113.3L144 G257 Q282 L283 P284L144-R244 WeakPolarHBondContact CD1-O 3.45Å; R244-G257 PolarHBondContact N-O 2.89Å; R244-Q282 PolarHBondContact NH1-O 3Å; R244-L283 HydrophobicContact CG-CD2 4.47Å; R244-P284 HydrophobicContact CB-CG 3.65Å
245S87.4Confident84.4Confident19 Ų1938.3 Ų38.313%0.13321%0.207CC..EExtended strand (participates in β ladder)trans-150.3153.5171.154.30000110.3V243 V256 G257 P284 I286V243-S245 WeakPolarHBondContact CG1-O 3.34Å; S245-V256 WeakPolarHBondContact O-CA 3.5Å; S245-G257 PolarHBondContact N-O 2.93Å; S245-G257 PolarHBondContact O-N 2.82Å; S245-P284 WeakPolarHBondContact CB-O 3.45Å; S245-P284 PolarHBondContact OG-O 3.15Å; S245-I286 WeakPolarHBondContact OG-CD1 3.47Å
246I90.4Very high84.7Confident20 Ų2034.4 Ų34.410%0.10319%0.185CC..EExtended strand (participates in β ladder)trans-156.5133.7-171.2-171169.6000111.5L144 T146 V202 L207 V243 L254 V255 V256L144-I246 HydrophobicContact CB-CG2 4.41Å; T146-I246 HydrophobicContact CG2-CB 4.41Å; T146-I246 HydrophobicContact CG2-CD1 4.24Å; T146-I246 HydrophobicContact CG2-CG1 3.85Å; T146-I246 HydrophobicContact CG2-CG2 3.97Å; V202-I246 HydrophobicContact CG2-CD1 3.65Å; V202-I246 HydrophobicContact CG2-CG2 3.93Å; L207-I246 HydrophobicContact CD1-CD1 4.14Å; L207-I246 HydrophobicContact CD2-CD1 3.59Å; V243-I246 HydrophobicContact CG1-CB 4.17Å; I246-L254 HydrophobicContact CD1-CD1 4.39Å; I246-L254 HydrophobicContact CD1-CD2 4.1Å; I246-L254 HydrophobicContact CD1-CG 4.41Å; I246-L254 HydrophobicContact CG1-CD1 4.02Å; I246-L254 HydrophobicContact CG1-CD2 4.4Å; I246-L254 HydrophobicContact CG1-CG 4.16Å; I246-V255 CarbonylContact C-O 3.53Å; I246-V255 WeakPolarHBondContact CA-O 3.37Å; I246-V256 HydrophobicContact CD1-CG2 4.41Å; I246-V256 HydrophobicContact CG1-CG2 4.22Å
247S87.9Confident84.7Confident19 Ų1929.4 Ų29.413%0.13316%0.162CC..EExtended strand (participates in β ladder)trans-151.6142.9178.7-156.70000113.1V255S247-V255 PolarHBondContact N-O 3.19Å; S247-V255 PolarHBondContact O-N 3.18Å
248F84.3Confident84.6Confident5 Ų529 Ų292%0.02216%0.16CC..EExtended strand (participates in β ladder)trans-74.2136.4176.3-78.9-80.4000111.6T146 Y148 C200 W233 L254 I267T146-F248 HydrophobicContact CG2-CD2 3.79Å; T146-F248 HydrophobicContact CG2-CE2 3.77Å; Y148-F248 HydrophobicContact CD2-CB 3.85Å; Y148-F248 HydrophobicContact CD2-CG 4.47Å; Y148-F248 HydrophobicContact CG-CB 4.28Å; Y148-F248 HydrophobicContact CG-CG 4.44Å; C200-F248 HydrophobicContact CB-CE2 4.03Å; C200-F248 HydrophobicContact CB-CZ 3.77Å; W233-F248 AromaticContact CH2-CE1 3.78Å; W233-F248 HydrophobicContact CH2-CE1 3.78Å; W233-F248 HydrophobicContact CH2-CZ 4.27Å; W233-F248 HydrophobicContact CZ3-CE1 4.32Å; F248-L254 HydrophobicContact CD1-CD1 3.82Å; F248-L254 HydrophobicContact CD2-CD1 4.39Å; F248-L254 HydrophobicContact CE1-CD1 4.05Å; F248-L254 HydrophobicContact CG-CD1 4.02Å; F248-L254 HydrophobicContact CZ-CD1 4.44Å; F248-I267 HydrophobicContact CD1-CD1 4.18Å; F248-I267 HydrophobicContact CE1-CD1 3.86Å
249C76.2Confident83.9Confident5 Ų534.4 Ų34.43%0.03417%0.173CC..  trans-113.857.7176.6-167.30000109.6K253 V255 L362C249-K253 HydrophobicContact CB-CB 3.85Å; C249-K253 PolarHBondContact N-O 2.83Å; C249-V255 HydrophobicContact CB-CG2 4.47Å; C249-L362 HydrophobicContact CB-CD1 3.75Å
250G72Confident82.9Confident1 Ų136 Ų361%0.0119%0.19CC..SBendtrans81.6-159.3-167.900000113.2
251L72Confident82.8Confident57 Ų5735.9 Ų35.930%0.29818%0.183SC..SBendtrans-82.9-15.5-169.7-78.5-170.7000116.7Y148 Q150 W233Y148-L251 HydrophobicContact CD1-CD2 3.98Å; Y148-L251 HydrophobicContact CE1-CD2 3.79Å; Y148-L251 HydrophobicContact CE1-CG 4.35Å; Q150-L251 VanDerWaalsContact OE1-CD1 3.24Å; Q150-L251 VanDerWaalsContact OE1-CD2 3.24Å; W233-L251 WeakPolarHBondContact CZ2-O 3.34Å; W233-L251 PolarHBondContact NE1-O 3.3Å; W233-L251 VanDerWaalsContact NE1-O 3.14Å
252S75.4Confident82.8Confident39 Ų3932.5 Ų32.527%0.27317%0.167SC..SBendtrans-123-5.7-17555.10000113.7N266 I267S252-N266 CarbonylContact O-C 3.5Å; S252-N266 VanDerWaalsContact O-CA 3.31Å; S252-N266 WeakPolarHBondContact O-CA 3.1Å; S252-N266 PolarHBondContact O-OD1 2.89Å; S252-I267 PolarHBondContact O-N 3.26Å
253K80.7Confident82.7Confident42 Ų4229.2 Ų29.218%0.18315%0.146CC..EExtended strand (participates in β ladder)trans-130145.3-172.9-66.5177.5-174.9-178.30111.4C249 L264 I265 P375 Y379C249-K253 HydrophobicContact CB-CB 3.85Å; C249-K253 PolarHBondContact N-O 2.83Å; K253-L264 HydrophobicContact CB-CD1 4.04Å; K253-L264 HydrophobicContact CD-CD1 4.34Å; K253-L264 HydrophobicContact CD-CD2 4.3Å; K253-L264 HydrophobicContact CG-CD1 4.46Å; K253-I265 CarbonylContact C-O 3.58Å; K253-I265 WeakPolarHBondContact CA-O 3.35Å; K253-P375 PolarHBondContact NZ-O 3.5Å; K253-Y379 PolarHBondContact NZ-OH 2.88Å
254L87Confident82.6Confident0 Ų029.1 Ų29.10%015%0.145CC..EExtended strand (participates in β ladder)trans-138.3129.6-177.6-170.871000107.8T146 L207 F209 I246 F248 V256 L264 I265 I267T146-L254 HydrophobicContact CG2-CD1 4.32Å; L207-L254 HydrophobicContact CD1-CD2 3.44Å; L207-L254 VanDerWaalsContact CD1-CD2 3.44Å; F209-L254 HydrophobicContact CE1-CD2 4.01Å; F209-L254 HydrophobicContact CZ-CD2 3.93Å; I246-L254 HydrophobicContact CD1-CD1 4.39Å; I246-L254 HydrophobicContact CD1-CD2 4.1Å; I246-L254 HydrophobicContact CD1-CG 4.41Å; I246-L254 HydrophobicContact CG1-CD1 4.02Å; I246-L254 HydrophobicContact CG1-CD2 4.4Å; I246-L254 HydrophobicContact CG1-CG 4.16Å; F248-L254 HydrophobicContact CD1-CD1 3.82Å; F248-L254 HydrophobicContact CD2-CD1 4.39Å; F248-L254 HydrophobicContact CE1-CD1 4.05Å; F248-L254 HydrophobicContact CG-CD1 4.02Å; F248-L254 HydrophobicContact CZ-CD1 4.44Å; L254-V256 HydrophobicContact CD2-CG2 4.39Å; L254-V256 HydrophobicContact CG-CG2 4.33Å; L254-L264 CarbonylContact O-C 3.44Å; L254-I265 PolarHBondContact N-O 2.77Å; L254-I265 PolarHBondContact O-N 3.06Å; L254-I267 HydrophobicContact CB-CD1 4.26Å; L254-I267 HydrophobicContact CB-CG1 4.13Å
255V87.5Confident82.6Confident3 Ų325.1 Ų25.12%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-102.4134.4173.8-178.80000109.4I246 S247 C249 L263 L264 I275 I286 L362 I364I246-V255 CarbonylContact C-O 3.53Å; I246-V255 WeakPolarHBondContact CA-O 3.37Å; S247-V255 PolarHBondContact N-O 3.19Å; S247-V255 PolarHBondContact O-N 3.18Å; C249-V255 HydrophobicContact CB-CG2 4.47Å; V255-L263 WeakPolarHBondContact CA-O 3.4Å; V255-L264 HydrophobicContact CG2-CD1 3.57Å; V255-I275 HydrophobicContact CG1-CD1 3.9Å; V255-I275 HydrophobicContact CG2-CD1 3.97Å; V255-I286 HydrophobicContact CB-CD1 4.47Å; V255-I286 HydrophobicContact CG1-CD1 3.89Å; V255-I286 HydrophobicContact CG1-CG1 4.46Å; V255-L362 HydrophobicContact CB-CD1 3.99Å; V255-L362 HydrophobicContact CG2-CD1 3.43Å; V255-L362 VanDerWaalsContact CG2-CD1 3.43Å; V255-I364 HydrophobicContact CG1-CD1 3.9Å
256V88.5Confident82.5Confident0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-130.3124.2-172.2177.60000109.3I239 V243 S245 I246 L254 Y262 L263 I265I239-V256 HydrophobicContact CD1-CB 4.5Å; I239-V256 HydrophobicContact CD1-CG1 3.99Å; I239-V256 HydrophobicContact CD1-CG2 4.03Å; V243-V256 HydrophobicContact CB-CG1 4.17Å; V243-V256 HydrophobicContact CG1-CG1 3.8Å; V243-V256 HydrophobicContact CG2-CG1 3.52Å; S245-V256 WeakPolarHBondContact O-CA 3.5Å; I246-V256 HydrophobicContact CD1-CG2 4.41Å; I246-V256 HydrophobicContact CG1-CG2 4.22Å; L254-V256 HydrophobicContact CD2-CG2 4.39Å; L254-V256 HydrophobicContact CG-CG2 4.33Å; V256-Y262 WeakPolarHBondContact O-CA 3.35Å; V256-L263 PolarHBondContact N-O 2.73Å; V256-L263 PolarHBondContact O-N 3.04Å; V256-I265 HydrophobicContact CB-CD1 4.46Å; V256-I265 HydrophobicContact CG2-CD1 3.86Å; V256-I265 HydrophobicContact CG2-CG1 4.39Å
257G86.7Confident82.1Confident0 Ų025.3 Ų25.30%013%0.13CC..EExtended strand (participates in β ladder)trans-99.5132.2172.100000111.1R244 S245R244-G257 PolarHBondContact N-O 2.89Å; S245-G257 PolarHBondContact N-O 2.93Å; S245-G257 PolarHBondContact O-N 2.82Å
258H84.5Confident81.8Confident9 Ų928.8 Ų28.84%0.04215%0.146CC..  trans-122.9-147.2172.957.599.7000111.9E241 E261 L263 P284E241-H258 HydrophobicContact CB-CB 3.68Å; E241-H258 IonicContact OE2-CE1 3.65Å; E241-H258 IonicContact OE2-CG 2.71Å; E241-H258 IonicContact OE2-ND1 2.76Å; E241-H258 PolarHBondContact OE2-ND1 3.29Å; H258-E261 PolarHBondContact CD2-O 2.65Å; H258-E261 VanDerWaalsContact CD2-O 3.3Å; H258-E261 IonicContact CE1-OE2 3.93Å; H258-E261 PolarHBondContact N-O 3.03Å; H258-L263 WeakPolarHBondContact NE2-CD1 3.49Å; H258-L263 WeakPolarHBondContact NE2-CG 3.33Å; H258-P284 WeakPolarHBondContact O-CG 3.16Å
259R75.1Confident81.6Confident178 Ų17831.8 Ų31.867%0.67217%0.168SC*.SBendtrans-86.6-22.4-167.8-121.7178.4-176.3174.5-0.8114.7E241E241-R259 WeakPolarHBondContact OE2-CA 3.42Å; E241-R259 WeakPolarHBondContact OE2-CB 3.2Å; E241-R259 PolarHBondContact OE2-N 2.85Å
260G68.9Low81.8Confident35 Ų3533.3 Ų33.336%0.36118%0.184SC..SBendtrans-120.3-23.7174.700000115.2A277 V278G260-A277 CarbonylContact O-C 3.51Å; G260-A277 WeakPolarHBondContact O-CA 3.48Å; G260-V278 PolarHBondContact O-N 3.14Å
261E82.9Confident82.3Confident74 Ų7439 Ų3935%0.34621%0.211SC..EExtended strand (participates in β ladder)trans-146.4163.5-163.4-63.1176.5149.200113.7H258 L274 S276H258-E261 PolarHBondContact CD2-O 2.65Å; H258-E261 VanDerWaalsContact CD2-O 3.3Å; H258-E261 IonicContact CE1-OE2 3.93Å; H258-E261 PolarHBondContact N-O 3.03Å; E261-L274 HydrophobicContact CB-CD1 3.59Å; E261-L274 HydrophobicContact CG-CD1 3.73Å; E261-L274 WeakPolarHBondContact OE1-CD2 3.28Å; E261-S276 WeakPolarHBondContact CA-O 3.37Å
262Y86.3Confident83Confident1 Ų139.8 Ų39.80%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-107117.5167.3-64.3-85.2000110V256 I275 S276 V278 P284 I285 I286 I364 E365V256-Y262 WeakPolarHBondContact O-CA 3.35Å; Y262-I275 PolarHBondContact O-N 2.8Å; Y262-S276 PolarHBondContact N-O 2.82Å; Y262-V278 HydrophobicContact CD2-CG2 3.85Å; Y262-V278 HydrophobicContact CE2-CB 4.42Å; Y262-V278 HydrophobicContact CE2-CG2 3.65Å; Y262-P284 HydrophobicContact CD1-CB 4.12Å; Y262-P284 HydrophobicContact CE1-CB 3.39Å; Y262-P284 WeakPolarHBondContact OH-CA 3.25Å; Y262-I285 PolarHBondContact OH-N 3.41Å; Y262-I285 PolarHBondContact OH-O 2.87Å; Y262-I286 HydrophobicContact CD1-CD1 4.16Å; Y262-I286 HydrophobicContact CD1-CG1 3.92Å; Y262-I286 HydrophobicContact CE1-CD1 4.33Å; Y262-I286 HydrophobicContact CE1-CG1 3.69Å; Y262-I364 HydrophobicContact CD1-CD1 4.42Å; Y262-I364 HydrophobicContact CD1-CG2 3.83Å; Y262-I364 HydrophobicContact CD2-CG2 3.4Å; Y262-I364 VanDerWaalsContact CD2-CG2 3.4Å; Y262-I364 HydrophobicContact CE1-CG2 3.75Å; Y262-I364 HydrophobicContact CE2-CG2 3.3Å; Y262-I364 HydrophobicContact CG-CD1 4.36Å; Y262-I364 HydrophobicContact CG-CG2 3.65Å; Y262-I364 VanDerWaalsContact CZ-CG2 3.48Å; Y262-E365 WeakPolarHBondContact CE2-O 3.48Å; Y262-E365 PolarHBondContact OH-O 2.67Å
263L86.6Confident83.3Confident13 Ų1341.8 Ų41.87%0.06822%0.218CC..EExtended strand (participates in β ladder)trans-99.9130.3174.6-62.2176.1000110.2I239 V255 V256 H258 I265 L274I239-L263 HydrophobicContact CG2-CD1 4.43Å; V255-L263 WeakPolarHBondContact CA-O 3.4Å; V256-L263 PolarHBondContact N-O 2.73Å; V256-L263 PolarHBondContact O-N 3.04Å; H258-L263 WeakPolarHBondContact NE2-CD1 3.49Å; H258-L263 WeakPolarHBondContact NE2-CG 3.33Å; L263-I265 HydrophobicContact CB-CG1 4.4Å; L263-L274 HydrophobicContact CD2-CB 4.49Å
264L86.4Confident83.4Confident8 Ų844 Ų444%0.04223%0.232CC..EExtended strand (participates in β ladder)trans-79.6139.7154.1-172.872000108.4K253 L254 V255 M272 Q273 I275 Y379K253-L264 HydrophobicContact CB-CD1 4.04Å; K253-L264 HydrophobicContact CD-CD1 4.34Å; K253-L264 HydrophobicContact CD-CD2 4.3Å; K253-L264 HydrophobicContact CG-CD1 4.46Å; L254-L264 CarbonylContact O-C 3.44Å; V255-L264 HydrophobicContact CG2-CD1 3.57Å; L264-M272 CarbonylContact O-C 3.56Å; L264-M272 WeakPolarHBondContact O-CA 3.37Å; L264-Q273 HydrophobicContact CB-CB 4.34Å; L264-Q273 PolarHBondContact N-O 2.87Å; L264-Q273 PolarHBondContact O-N 2.59Å; L264-I275 HydrophobicContact CB-CD1 3.89Å; L264-I275 HydrophobicContact CB-CG1 3.95Å; L264-Y379 HydrophobicContact CD2-CD1 4.22Å; L264-Y379 HydrophobicContact CD2-CD2 4.41Å; L264-Y379 HydrophobicContact CD2-CE1 3.49Å; L264-Y379 VanDerWaalsContact CD2-CE1 3.49Å; L264-Y379 HydrophobicContact CD2-CE2 3.74Å; L264-Y379 VanDerWaalsContact CD2-OH 3.22Å; L264-Y379 WeakPolarHBondContact CD2-OH 3.34Å
265I87.2Confident83Confident0 Ų045.6 Ų45.60%024%0.24CC..EExtended strand (participates in β ladder)trans-129.1127.4171.2-43.8-179.7000109.6M237 I239 K253 L254 V256 L263 E271 M272M237-I265 HydrophobicContact CE-CB 4.1Å; M237-I265 HydrophobicContact CE-CD1 4.11Å; M237-I265 HydrophobicContact CE-CG2 3.41Å; M237-I265 VanDerWaalsContact CE-CG2 3.41Å; M237-I265 HydrophobicContact SD-CG2 3.58Å; M237-I265 VanDerWaalsContact SD-CG2 3.58Å; I239-I265 HydrophobicContact CD1-CD1 3.44Å; I239-I265 VanDerWaalsContact CD1-CD1 3.44Å; I239-I265 HydrophobicContact CG1-CD1 3.88Å; K253-I265 CarbonylContact C-O 3.58Å; K253-I265 WeakPolarHBondContact CA-O 3.35Å; L254-I265 PolarHBondContact N-O 2.77Å; L254-I265 PolarHBondContact O-N 3.06Å; V256-I265 HydrophobicContact CB-CD1 4.46Å; V256-I265 HydrophobicContact CG2-CD1 3.86Å; V256-I265 HydrophobicContact CG2-CG1 4.39Å; L263-I265 HydrophobicContact CB-CG1 4.4Å; I265-E271 WeakPolarHBondContact CA-O 3.17Å; I265-M272 HydrophobicContact CB-CG 4.44Å; I265-M272 HydrophobicContact CD1-CE 4.35Å; I265-M272 HydrophobicContact CD1-CG 4.27Å; I265-M272 HydrophobicContact CD1-SD 4.24Å; I265-M272 HydrophobicContact CG1-CG 4.01Å; I265-M272 HydrophobicContact CG2-CE 4.4Å; I265-M272 HydrophobicContact CG2-CG 3.86Å
266N85.1Confident82.2Confident41 Ų4147 Ų4722%0.21925%0.25CC..EExtended strand (participates in β ladder)trans-81.3113.4169.1-177.5-16.6000108.7S252 I268 S269 G270 E271S252-N266 CarbonylContact O-C 3.5Å; S252-N266 VanDerWaalsContact O-CA 3.31Å; S252-N266 WeakPolarHBondContact O-CA 3.1Å; S252-N266 PolarHBondContact O-OD1 2.89Å; N266-I268 PolarHBondContact O-N 3.18Å; N266-I268 PolarHBondContact OD1-N 2.99Å; N266-S269 VanDerWaalsContact CB-OG 3.31Å; N266-S269 WeakPolarHBondContact CB-OG 3.16Å; N266-S269 PolarHBondContact ND2-OG 3.25Å; N266-S269 PolarHBondContact OD1-N 3.1Å; N266-G270 WeakPolarHBondContact O-CA 3.5Å; N266-G270 PolarHBondContact O-N 2.85Å; N266-E271 HydrophobicContact CB-CB 4.28Å; N266-E271 PolarHBondContact N-O 3.35Å
267I83.7Confident80.9Confident1 Ų149.1 Ų49.11%0.00527%0.268CS..THydrogen-bonded Turntrans-62.5-28.5-175.6-55.8171.3000111.1F209 W233 P234 F248 S252 L254F209-I267 HydrophobicContact CD1-CG2 4.5Å; F209-I267 HydrophobicContact CE1-CD1 4.11Å; F209-I267 HydrophobicContact CE1-CG1 4.28Å; F209-I267 HydrophobicContact CE1-CG2 4.14Å; F209-I267 HydrophobicContact CE2-CG2 4.38Å; F209-I267 HydrophobicContact CZ-CG1 4.32Å; F209-I267 HydrophobicContact CZ-CG2 4.08Å; W233-I267 HydrophobicContact CB-CG2 4.13Å; W233-I267 HydrophobicContact CD2-CG2 3.77Å; W233-I267 HydrophobicContact CE3-CG2 4.38Å; W233-I267 HydrophobicContact CG-CG2 3.62Å; W233-I267 HydrophobicContact CH2-CD1 4.39Å; W233-I267 HydrophobicContact CZ2-CD1 4.08Å; P234-I267 WeakPolarHBondContact CD-O 3.45Å; F248-I267 HydrophobicContact CD1-CD1 4.18Å; F248-I267 HydrophobicContact CE1-CD1 3.86Å; S252-I267 PolarHBondContact O-N 3.26Å; L254-I267 HydrophobicContact CB-CD1 4.26Å; L254-I267 HydrophobicContact CB-CG1 4.13Å
268I81Confident79.8Confident92 Ų9249.9 Ų49.947%0.47227%0.272SS..THydrogen-bonded Turntrans-89.3-40.4-174-59.3173.6000111.9N266N266-I268 PolarHBondContact O-N 3.18Å; N266-I268 PolarHBondContact OD1-N 2.99Å
269S80.6Confident78.8Confident69 Ų6949.7 Ų49.748%0.48327%0.273SS..THydrogen-bonded Turntrans-92-12.7178.262.80000114.2N266 E271N266-S269 VanDerWaalsContact CB-OG 3.31Å; N266-S269 WeakPolarHBondContact CB-OG 3.16Å; N266-S269 PolarHBondContact ND2-OG 3.25Å; N266-S269 PolarHBondContact OD1-N 3.1Å; S269-E271 PolarHBondContact O-N 2.75Å; S269-E271 WeakPolarHBondContact OG-CB 3.28Å; S269-E271 PolarHBondContact OG-N 2.88Å; S269-E271 PolarHBondContact OG-OE2 3.33Å
270G79.7Confident77.9Confident36 Ų3650.6 Ų50.637%0.37128%0.282SS..  trans711.1-171.100000114.2N266N266-G270 WeakPolarHBondContact O-CA 3.5Å; N266-G270 PolarHBondContact O-N 2.85Å
271E83Confident77.5Confident121 Ų12157.3 Ų57.357%0.56531%0.31SS*.  trans-66.8129.7-176.6-176.2-177.6-173.600111.5I265 N266 S269I265-E271 WeakPolarHBondContact CA-O 3.17Å; N266-E271 HydrophobicContact CB-CB 4.28Å; N266-E271 PolarHBondContact N-O 3.35Å; S269-E271 PolarHBondContact O-N 2.75Å; S269-E271 WeakPolarHBondContact OG-CB 3.28Å; S269-E271 PolarHBondContact OG-N 2.88Å; S269-E271 PolarHBondContact OG-OE2 3.33Å
272M85.8Confident76.7Confident73 Ų7355.2 Ų55.236%0.3630%0.3SS..EExtended strand (participates in β ladder)trans-113.5120.8-179.4-57.3-174.6-168.600109.9M237 L264 I265M237-M272 HydrophobicContact CG-CE 4.24Å; M237-M272 HydrophobicContact SD-CE 4.42Å; L264-M272 CarbonylContact O-C 3.56Å; L264-M272 WeakPolarHBondContact O-CA 3.37Å; I265-M272 HydrophobicContact CB-CG 4.44Å; I265-M272 HydrophobicContact CD1-CE 4.35Å; I265-M272 HydrophobicContact CD1-CG 4.27Å; I265-M272 HydrophobicContact CD1-SD 4.24Å; I265-M272 HydrophobicContact CG1-CG 4.01Å; I265-M272 HydrophobicContact CG2-CE 4.4Å; I265-M272 HydrophobicContact CG2-CG 3.86Å
273Q83.2Confident76Confident81 Ų8160.4 Ų60.438%0.37933%0.327SS..EExtended strand (participates in β ladder)trans-118.2128.2-178.8-179.41779.500110.5L264L264-Q273 HydrophobicContact CB-CB 4.34Å; L264-Q273 PolarHBondContact N-O 2.87Å; L264-Q273 PolarHBondContact O-N 2.59Å
274L82.2Confident75.6Confident89 Ų8960 Ų6047%0.46633%0.325SS..EExtended strand (participates in β ladder)trans-69.2127.4172.817758.5000110.6E261 L263E261-L274 HydrophobicContact CB-CD1 3.59Å; E261-L274 HydrophobicContact CG-CD1 3.73Å; E261-L274 WeakPolarHBondContact OE1-CD2 3.28Å; L263-L274 HydrophobicContact CD2-CB 4.49Å
275I77.4Confident75.3Confident33 Ų3360.8 Ų60.817%0.16933%0.329CS..EExtended strand (participates in β ladder)trans-97.7-52.5175.4-53.2170.6000111V255 Y262 L264 I364 I373V255-I275 HydrophobicContact CG1-CD1 3.9Å; V255-I275 HydrophobicContact CG2-CD1 3.97Å; Y262-I275 PolarHBondContact O-N 2.8Å; L264-I275 HydrophobicContact CB-CD1 3.89Å; L264-I275 HydrophobicContact CB-CG1 3.95Å; I275-I364 HydrophobicContact CD1-CD1 3.82Å; I275-I364 HydrophobicContact CG2-CD1 4.16Å; I275-I373 HydrophobicContact CG2-CD1 3.46Å; I275-I373 VanDerWaalsContact CG2-CD1 3.46Å
276S71.3Confident75.1Confident32 Ų3262 Ų6222%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-160.2152.1-177.3-179.10000111.1E261 Y262E261-S276 WeakPolarHBondContact CA-O 3.37Å; Y262-S276 PolarHBondContact N-O 2.82Å
277A62.2Low74.9Confident45 Ų4560.9 Ų60.937%0.37233%0.33SS..EExtended strand (participates in β ladder)trans-68.2152.9160.600000111.5G260G260-A277 CarbonylContact O-C 3.51Å; G260-A277 WeakPolarHBondContact O-CA 3.48Å
278V63.4Low74.5Confident16 Ų1662.5 Ų62.510%0.09734%0.341CS..PPolyproline II helixtrans-86.2148.9171.6-177.20000109.3G260 Y262 Q282 P284G260-V278 PolarHBondContact O-N 3.14Å; Y262-V278 HydrophobicContact CD2-CG2 3.85Å; Y262-V278 HydrophobicContact CE2-CB 4.42Å; Y262-V278 HydrophobicContact CE2-CG2 3.65Å; V278-Q282 HydrophobicContact CG1-CB 4.26Å; V278-P284 HydrophobicContact CG1-CB 4.5Å; V278-P284 HydrophobicContact CG2-CB 3.96Å
279G62Low74.1Confident6 Ų658.2 Ų58.26%0.06232%0.319CS..PPolyproline II helixtrans-57.7146.2173.200000112.6N281 Q282 D367G279-N281 PolarHBondContact O-N 3.48Å; G279-Q282 PolarHBondContact O-N 3.08Å; G279-D367 VanDerWaalsContact CA-OD1 3.22Å; G279-D367 WeakPolarHBondContact CA-OD1 3.14Å
280K57.8Low73.1Confident196 Ų19656.7 Ų56.785%0.85231%0.309SS*.THydrogen-bonded Turntrans-61.5124.1-175.9-74-176179.6177.60110.1Q282K280-Q282 PolarHBondContact O-N 2.88Å
281N59.5Low72.1Confident177 Ų17758.2 Ų58.295%0.94731%0.306SS*.THydrogen-bonded Turntrans71.47.8-178.8-55.9-27.9000117.3G279G279-N281 PolarHBondContact O-N 3.48Å
282Q66.7Low71Confident30 Ų3053.7 Ų53.714%0.1429%0.288CS..PPolyproline II helixtrans-84.1169176.7-69.4-176.4-31.600113.8R244 V278 G279 K280 D367R244-Q282 PolarHBondContact NH1-O 3Å; V278-Q282 HydrophobicContact CG1-CB 4.26Å; G279-Q282 PolarHBondContact O-N 3.08Å; K280-Q282 PolarHBondContact O-N 2.88Å; Q282-D367 PolarHBondContact NE2-O 2.98Å
283L71Confident69.8Low110 Ų11051.4 Ų51.458%0.57628%0.276SS*.PPolyproline II helixtrans-94.5136.7161.5-78165.8000108.3R244 I285R244-L283 HydrophobicContact CG-CD2 4.47Å; L283-I285 PolarHBondContact O-N 3.33Å
284P78.6Confident68.1Low5 Ų550.6 Ų50.63%0.03227%0.274CS..PPolyproline II helixtrans-68.7120.118028.1-35.7000111.2R244 S245 H258 Y262 V278R244-P284 HydrophobicContact CB-CG 3.65Å; S245-P284 WeakPolarHBondContact CB-O 3.45Å; S245-P284 PolarHBondContact OG-O 3.15Å; H258-P284 WeakPolarHBondContact O-CG 3.16Å; Y262-P284 HydrophobicContact CD1-CB 4.12Å; Y262-P284 HydrophobicContact CE1-CB 3.39Å; Y262-P284 WeakPolarHBondContact OH-CA 3.25Å; V278-P284 HydrophobicContact CG1-CB 4.5Å; V278-P284 HydrophobicContact CG2-CB 3.96Å
285I80.8Confident66.1Low24 Ų2449.6 Ų49.612%0.12328%0.275CS..PPolyproline II helixtrans-101.1128.8177-66.1166.9000108.9Y262 L283 E365 Y392 V394Y262-I285 PolarHBondContact OH-N 3.41Å; Y262-I285 PolarHBondContact OH-O 2.87Å; L283-I285 PolarHBondContact O-N 3.33Å; I285-E365 HydrophobicContact CB-CB 3.9Å; I285-E365 HydrophobicContact CG2-CB 4.39Å; I285-E365 PolarHBondContact O-N 2.78Å; I285-Y392 WeakPolarHBondContact CD1-O 3.36Å; I285-V394 HydrophobicContact CG2-CB 4.42Å; I285-V394 HydrophobicContact CG2-CG2 4.48Å
286I82.9Confident64.4Low24 Ų2451.2 Ų51.212%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-129.1121.8177.6-55.2167.9000107.9S245 V255 Y262 L362 G363S245-I286 WeakPolarHBondContact OG-CD1 3.47Å; V255-I286 HydrophobicContact CB-CD1 4.47Å; V255-I286 HydrophobicContact CG1-CD1 3.89Å; V255-I286 HydrophobicContact CG1-CG1 4.46Å; Y262-I286 HydrophobicContact CD1-CD1 4.16Å; Y262-I286 HydrophobicContact CD1-CG1 3.92Å; Y262-I286 HydrophobicContact CE1-CD1 4.33Å; Y262-I286 HydrophobicContact CE1-CG1 3.69Å; I286-L362 HydrophobicContact CG2-CD2 3.9Å; I286-G363 WeakPolarHBondContact CA-O 3.31Å
287T79.5Confident62.8Low19 Ų1952.9 Ų52.912%0.11730%0.295CS..EExtended strand (participates in β ladder)trans-127.1128.9-178.8-47.20000111.3L289 G363 V394 I396T287-L289 PolarHBondContact O-N 2.88Å; T287-G363 PolarHBondContact N-O 3.4Å; T287-G363 PolarHBondContact O-N 2.94Å; T287-V394 VanDerWaalsContact CG2-O 3.22Å; T287-V394 WeakPolarHBondContact CG2-O 3.23Å; T287-V394 PolarHBondContact OG1-O 3.07Å; T287-I396 HydrophobicContact CG2-CD1 3.43Å; T287-I396 VanDerWaalsContact CG2-CD1 3.43Å; T287-I396 HydrophobicContact CG2-CG1 3.83Å
288S76.4Confident61.8Low34 Ų3453.6 Ų53.624%0.23829%0.292CS..EExtended strand (participates in β ladder)trans-78.7108.1179.4-163.70000111.5S290 I396S288-S290 PolarHBondContact O-N 2.96Å; S288-S290 PolarHBondContact O-OG 2.98Å; S288-I396 WeakPolarHBondContact O-CD1 3.37Å
289L71.8Confident60.3Low2 Ų257.5 Ų57.51%0.0131%0.313CS..  trans-79.937.8178.8-63.3159.5000112T287 H291 C292 F293 F361 G363 V372 I396 I401 L414T287-L289 PolarHBondContact O-N 2.88Å; L289-H291 PolarHBondContact O-N 3.48Å; L289-C292 HydrophobicContact CB-CB 4.24Å; L289-C292 WeakPolarHBondContact O-CB 3.08Å; L289-C292 PolarHBondContact O-N 2.93Å; L289-F293 HydrophobicContact CB-CE2 3.86Å; L289-F293 HydrophobicContact CD1-CE2 4.24Å; L289-F361 HydrophobicContact CB-CB 4.02Å; L289-F361 WeakPolarHBondContact CB-O 3.4Å; L289-F361 PolarHBondContact N-O 2.97Å; L289-G363 VanDerWaalsContact CD1-N 3.34Å; L289-V372 HydrophobicContact CD1-CB 4.18Å; L289-V372 HydrophobicContact CD1-CG1 3.66Å; L289-V372 HydrophobicContact CD1-CG2 3.71Å; L289-I396 HydrophobicContact CD2-CD1 3.63Å; L289-I396 HydrophobicContact CD2-CG1 4.27Å; L289-I396 HydrophobicContact CG-CD1 4.17Å; L289-I401 HydrophobicContact CD2-CD1 3.92Å; L289-L414 HydrophobicContact CD2-CD1 3.91Å; L289-L414 HydrophobicContact CD2-CD2 4.35Å
290S61.3Low59Low37 Ų3763.8 Ų63.826%0.25934%0.34SS..THydrogen-bonded Turntrans-57.9130.3171.848.60000110.8S288 C292S288-S290 PolarHBondContact O-N 2.96Å; S288-S290 PolarHBondContact O-OG 2.98Å; S290-C292 PolarHBondContact O-N 2.77Å
291H58.3Low57.9Low69 Ų6959.8 Ų59.832%0.31932%0.323SS..THydrogen-bonded Turntrans68.53.9179.7-40.9-68.7000116.4L289 F293 Y520L289-H291 PolarHBondContact O-N 3.48Å; H291-F293 VanDerWaalsContact C-N 3.34Å; H291-Y520 HydrophobicContact CB-CE2 3.83Å; H291-Y520 AromaticContact CD2-CE2 3.98Å; H291-Y520 AromaticContact CD2-CZ 3.67Å; H291-Y520 PolarHBondContact CD2-OH 2.98Å; H291-Y520 AromaticContact CG-CE2 3.9Å; H291-Y520 AromaticContact CG-CZ 3.96Å; H291-Y520 PolarHBondContact NE2-OH 3.38Å
292C59.8Low56.4Low26 Ų2656.6 Ų56.618%0.17631%0.306CS..SBendtrans-76.8-17.7173.8-66.70000114.5L289 S290 I396 L414L289-C292 HydrophobicContact CB-CB 4.24Å; L289-C292 WeakPolarHBondContact O-CB 3.08Å; L289-C292 PolarHBondContact O-N 2.93Å; S290-C292 PolarHBondContact O-N 2.77Å; C292-I396 VanDerWaalsContact SG-CG2 3.56Å; C292-L414 HydrophobicContact CB-CD1 3.45Å; C292-L414 VanDerWaalsContact CB-CD1 3.45Å; C292-L414 VanDerWaalsContact SG-CD1 3.5Å
293F59.3Low54.5Low24 Ų2460.3 Ų60.311%0.10534%0.335CS..  trans-126.7127-174.1-58.1-75000110.9L289 H291 F361 V372 F383L289-F293 HydrophobicContact CB-CE2 3.86Å; L289-F293 HydrophobicContact CD1-CE2 4.24Å; H291-F293 VanDerWaalsContact C-N 3.34Å; F293-F361 HydrophobicContact CB-CD2 4.14Å; F293-F361 HydrophobicContact CB-CE2 4.05Å; F293-F361 HydrophobicContact CD2-CB 3.94Å; F293-F361 AromaticContact CD2-CD2 3.4Å; F293-F361 HydrophobicContact CD2-CD2 3.4Å; F293-F361 VanDerWaalsContact CD2-CD2 3.4Å; F293-F361 HydrophobicContact CD2-CE2 4.1Å; F293-F361 AromaticContact CD2-CG 3.75Å; F293-F361 HydrophobicContact CD2-CG 3.75Å; F293-F361 HydrophobicContact CE2-CB 3.84Å; F293-F361 HydrophobicContact CE2-CD2 4.14Å; F293-F361 HydrophobicContact CE2-CG 4Å; F293-F361 HydrophobicContact CG-CD2 4.02Å; F293-F361 HydrophobicContact CG-CE2 4.27Å; F293-V372 HydrophobicContact CE2-CG1 4.04Å; F293-V372 HydrophobicContact CZ-CG1 3.84Å; F293-F383 AromaticContact CE1-CE1 3.51Å; F293-F383 HydrophobicContact CE1-CE1 3.51Å; F293-F383 AromaticContact CE1-CZ 3.69Å; F293-F383 HydrophobicContact CE1-CZ 3.69Å; F293-F383 AromaticContact CZ-CE1 3.57Å; F293-F383 HydrophobicContact CZ-CE1 3.57Å; F293-F383 AromaticContact CZ-CZ 3.61Å; F293-F383 HydrophobicContact CZ-CZ 3.61Å
294N49.1Very low52.4Low64 Ų6459.6 Ų59.634%0.34234%0.339SS..  trans-85.3140.7167.4-78.3-41.8000109.8S296 N297N294-S296 WeakPolarHBondContact CB-OG 3.24Å; N294-S296 PolarHBondContact O-N 2.04Å; N294-N297 PolarHBondContact O-N 3.31Å; N294-N297 VanDerWaalsContact O-N 3.13Å
295S39.4Very low49.9Very low69 Ų6965 Ų6548%0.48338%0.377SS..THydrogen-bonded Turntrans-66.5-2.4-179.372.10000114.8
296S42.3Very low47.1Very low66 Ų6669.9 Ų69.946%0.46241%0.413SS..THydrogen-bonded Turntrans-71.2-50.5168.238.50000111.8N294 L298 N299N294-S296 WeakPolarHBondContact CB-OG 3.24Å; N294-S296 PolarHBondContact O-N 2.04Å; S296-L298 PolarHBondContact O-N 3.44Å; S296-N299 PolarHBondContact O-N 3.37Å; S296-N299 PolarHBondContact O-ND2 3.04Å
297N38.1Very low44.2Very low68 Ų6876.6 Ų76.636%0.36445%0.447SS..G310 helixtrans-76.4-7.5-164.4-63.759.2000113.8N294 N299N294-N297 PolarHBondContact O-N 3.31Å; N294-N297 VanDerWaalsContact O-N 3.13Å; N297-N299 VanDerWaalsContact C-N 3.33Å
298L39.6Very low41.5Very low59 Ų5984.7 Ų84.731%0.30948%0.481SS..G310 helixtrans-79.8-12.8176.7-66.4167.3000113S296 F361S296-L298 PolarHBondContact O-N 3.44Å; L298-F361 HydrophobicContact CD1-CE2 4.07Å; L298-F361 HydrophobicContact CD1-CZ 3.69Å; L298-F361 HydrophobicContact CD2-CE1 4.33Å; L298-F361 HydrophobicContact CD2-CE2 4.49Å; L298-F361 HydrophobicContact CD2-CZ 3.76Å; L298-F361 HydrophobicContact CG-CZ 4.38Å
299N32.5Very low39Very low99 Ų9988.8 Ų88.853%0.52950%0.5SS..G310 helixtrans-83.4-10-179.6-66.9-68.2000114.3S296 N297 K310S296-N299 PolarHBondContact O-N 3.37Å; S296-N299 PolarHBondContact O-ND2 3.04Å; N297-N299 VanDerWaalsContact C-N 3.33Å; N299-K310 PolarHBondContact OD1-NZ 2.81Å
300E35.6Very low36.8Very low137 Ų13796.4 Ų96.464%0.6453%0.533SS*.SBendtrans-89.7-26.2-177-64.7-178.9112.700113.1S303E300-S303 PolarHBondContact O-OG 2.84Å
301F34.8Very low34.9Very low112 Ų112104.5 Ų104.549%0.49156%0.564SS.*THydrogen-bonded Turntrans-75.9-22-174.7-79.7-88.9000114.4S303F301-S303 VanDerWaalsContact C-N 3.34Å; F301-S303 PolarHBondContact O-N 3.42Å
302D27.6Very low33.2Very low111 Ų111105.2 Ų105.259%0.59458%0.577SS**THydrogen-bonded Turntrans-96.538.4179-60.2-39000112.5
303S27.1Very low31.4Very low107 Ų107113.9 Ų113.975%0.74861%0.612SS**  trans-92.26.7-176.448.50000114.7E300 F301E300-S303 PolarHBondContact O-OG 2.84Å; F301-S303 VanDerWaalsContact C-N 3.34Å; F301-S303 PolarHBondContact O-N 3.42Å
304S26.4Very low29.7Very low95 Ų95122.8 Ų122.866%0.66465%0.651SS**SBendtrans-136.5134.4170.957.80000111.9
305S24.9Very low28.3Very low118 Ų118128.6 Ų128.683%0.82567%0.673SS**SBendtrans5955173.359.20000118.7
306C23.5Very low27.5Very low128 Ų128132.1 Ų132.187%0.86569%0.686SS**  trans-159.1119.2143.3-104.40000112.9
307I21.1Very low26.6Very low165 Ų165134.1 Ų134.185%0.84670%0.701SS**  trans-99.9103.5165.8-61.2171.1000107
308F23.8Very low25.9Very low188 Ų188135.9 Ų135.983%0.82571%0.714SS**  trans-169.4132.9152.9-105.3-67.5000112.8
309D22.7Very low25.2Very low121 Ų121140.6 Ų140.665%0.64774%0.736SS**  trans3088.3157.5-60.9-18.5000121.9
310K25.4Very low24.8Very low162 Ų162142.4 Ų142.470%0.70475%0.746SS**SBendtrans-98.247.7151.9-93.1-178.1179.5169.40112.8N299N299-K310 PolarHBondContact OD1-NZ 2.81Å
311F22.8Very low24.2Very low207 Ų207140.2 Ų140.291%0.90875%0.746SS**SBendtrans-145.214.8168.5-107.6-61000118.2
312S20.9Very low23.8Very low84 Ų84142.9 Ų142.959%0.58776%0.76SS**  trans-157.5101167.454.10000114.8
313F23.7Very low23.6Very low207 Ų207144.1 Ų144.191%0.90877%0.766SS**  trans-158.365150.1-113.1-66.1000113.2
314F22.1Very low23.4Very low211 Ų211145.4 Ų145.493%0.92576%0.764SS**  trans-152.890143.4-109.8-70.2000108.4
315K20.1Very low23.4Very low186 Ų186144.8 Ų144.881%0.80976%0.76SS**  trans-138.7160.1169.8-123.9-175.3-178.6-176.30107.2
316N22.3Very low23.4Very low143 Ų143143.3 Ų143.377%0.76574%0.743SS**  trans73.1133.2-164.6-44.1-17.2000111.6
317S24.6Very low23.6Very low109 Ų109145.2 Ų145.276%0.76274%0.739SS**  cis-106.7144.9-742.60000110.5
318T22.5Very low23.7Very low105 Ų105141.9 Ų141.964%0.64473%0.73SS**  cis62.172.543.2720000114.2
319M24.3Very low23.8Very low157 Ų157139.2 Ų139.277%0.77372%0.723SS**  -149.5148.5124.8-91.5-53125.700110.2
320N24.1Very low23.8Very low138 Ų138142 Ų14274%0.73874%0.737SS**  trans5.4145.8141.8-51.4-7.8000117.9
321S24.5Very low23.8Very low91 Ų91140 Ų14064%0.63673%0.734SS**  cis-175.6177.1-3.642.50000108
322E24.9Very low24Very low167 Ų167137.1 Ų137.178%0.7872%0.723SS**  trans68.6124.4167.1-72.5159.9-144.400115.2
323N23.7Very low24.1Very low137 Ų137138.7 Ų138.773%0.73373%0.725SS**  71.6132.964-76.2-25.5000113.6
324L24.6Very low24.1Very low135 Ų135135 Ų13571%0.70772%0.715SS**  trans68.4145.2155.8-62.2160000115.7F998L324-F998 HydrophobicContact CD2-CE2 3.9Å; L324-F998 HydrophobicContact CD2-CZ 4.27Å
325S24.7Very low24.3Very low82 Ų82130.4 Ų130.457%0.57370%0.7SS**  cis-166.9145.1-10.947.70000111.4
326N25.4Very low24.7Very low87 Ų87127.6 Ų127.647%0.46569%0.694SS.*  50.8160.3127.3-53.8-15.6000122.4F998N326-F998 WeakPolarHBondContact OD1-CE1 3.3Å; N326-F998 VanDerWaalsContact OD1-CZ 3.27Å; N326-F998 WeakPolarHBondContact OD1-CZ 3.47Å
327Q27.2Very low24.9Very low168 Ų168128 Ų12879%0.78569%0.691SS**  trans70.1101.2156.8-72.6152.2300115.5
328S24.4Very low25Very low94 Ų94128.5 Ų128.566%0.65769%0.685SS**  85.3169.452.9760000113.4
329I25.8Very low25.2Very low133 Ų133130.7 Ų130.768%0.68269%0.693SS**  trans72.977.8177.7-53159.8000111.6D331I329-D331 HydrophobicContact CG2-CB 3.69Å
330L22.5Very low25.2Very low178 Ų178129.7 Ų129.793%0.93269%0.691SS**  -53.1120.9122.1-84.5165.3000106.9
331D24.3Very low25.3Very low121 Ų121129.7 Ų129.765%0.64769%0.691SS**  trans-142.4151.8147.7-112.4-40.3000110.6I329I329-D331 HydrophobicContact CG2-CB 3.69Å
332H27.5Very low25.4Very low146 Ų146133.5 Ų133.568%0.67670%0.704SS**  trans53.797.7166.3-67.2-44.6000119.8
333N23.6Very low25.5Very low118 Ų118131.6 Ų131.663%0.63170%0.699SS**  105.5109.9104.2-75.22.6000117.6
334N23.7Very low25.5Very low128 Ų128134.6 Ų134.668%0.68471%0.706SS**  105.6147.7109.3-82.619.2000119.3
335N26.2Very low25.5Very low116 Ų116132.6 Ų132.662%0.6270%0.703SS**  trans73.2117.4157.6-73.241.4000117.5
336D28.2Very low25.5Very low126 Ų126132 Ų13267%0.67470%0.699SS**  65.6136.8118.9-45.9-16.4000118.6
337E27Very low25.4Very low152 Ų152135.8 Ų135.871%0.7172%0.718SS**  cis-159.7172.4-6-124.7-166.6-173.800109.1N339E337-N339 PolarHBondContact O-N 3.44Å
338N26.1Very low25.2Very low119 Ų119129.3 Ų129.364%0.63669%0.689SS**  trans13.599145.2-57-44000117.6
339N27.4Very low25.2Very low151 Ų151130.9 Ų130.981%0.80769%0.686SS**  -176.2156.4114.7-102.3-65.6000115.8E337E337-N339 PolarHBondContact O-N 3.44Å
340N24.2Very low25.1Very low136 Ų136127.4 Ų127.473%0.72767%0.665SS**  trans-48.3126.2178.1-57.4-61.5000115.1
341N26.5Very low25.2Very low138 Ų138124.2 Ų124.274%0.73864%0.641SS**  176.174.1127-90-35.7000111.9N343N341-N343 PolarHBondContact O-N 3.03Å
342N25.4Very low25.2Very low172 Ų172126 Ų12692%0.9265%0.645SS**  trans-75.863.9173.6-89.9-22.9000112.2K344N342-K344 PolarHBondContact O-N 2.89Å
343N26.8Very low25.1Very low126 Ų126121.6 Ų121.667%0.67463%0.63SS**  trans-65.197.5169.5-86.9-36.8000109.8N341 S345N341-N343 PolarHBondContact O-N 3.03Å; N343-S345 PolarHBondContact O-N 2.81Å
344K23.3Very low25.2Very low201 Ų201120 Ų12087%0.87462%0.619SS**  trans-67.755.2160.3-75.3-178.2174.6174.80110.3N342 S346N342-K344 PolarHBondContact O-N 2.89Å; K344-S346 VanDerWaalsContact C-N 3.3Å; K344-S346 PolarHBondContact O-N 2.78Å
345S25.3Very low25.3Very low92 Ų92117.2 Ų117.264%0.64360%0.604SS**  trans-80.678.6179.856.50000110.5N343 L347N343-S345 PolarHBondContact O-N 2.81Å; S345-L347 PolarHBondContact O-N 2.82Å
346S24.3Very low25.3Very low71 Ų71113.4 Ų113.450%0.49759%0.586SS.*  trans23.599.7148.358.50000115.6K344 N348K344-S346 VanDerWaalsContact C-N 3.3Å; K344-S346 PolarHBondContact O-N 2.78Å; S346-N348 PolarHBondContact O-N 2.93Å
347L23.5Very low25.4Very low165 Ų165109.2 Ų109.286%0.86457%0.572SS**  trans-73.160.5167.6-16085.8000110.6S345 Q349S345-L347 PolarHBondContact O-N 2.82Å; L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-Q349 PolarHBondContact O-N 3.21Å
348N23.4Very low26.2Very low33 Ų33104.2 Ų104.218%0.17655%0.554CS.*  trans-6099.6166.6-74.77.3000106.7S346 Y350 L629S346-N348 PolarHBondContact O-N 2.93Å; N348-Y350 HydrophobicContact CB-CD2 3.81Å; N348-Y350 HydrophobicContact CB-CE2 3.37Å; N348-Y350 PolarHBondContact ND2-OH 2.84Å; N348-Y350 VanDerWaalsContact O-CD2 3.29Å; N348-Y350 WeakPolarHBondContact O-CD2 3.16Å; N348-Y350 PolarHBondContact O-N 2.9Å; N348-L629 WeakPolarHBondContact ND2-CD1 3.1Å
349Q24.3Very low27.3Very low126 Ų126100.4 Ų100.459%0.58954%0.536SS*.  trans-60.889.8162.6-69.4-178.7-6.600107L347 K627L347-Q349 VanDerWaalsContact C-N 3.33Å; L347-Q349 PolarHBondContact O-N 3.21Å; Q349-K627 WeakPolarHBondContact O-CD 3.43Å; Q349-K627 WeakPolarHBondContact O-CE 3.2Å; Q349-K627 PolarHBondContact O-NZ 2.87Å
350Y23.4Very low28.8Very low60 Ų6094 Ų9424%0.23550%0.503CS..  trans-64.8168.9174.2-82.2-74000110.4H63 L64 N348 H352H63-Y350 HydrophobicContact CB-CD2 4.46Å; H63-Y350 HydrophobicContact CB-CE2 3.89Å; H63-Y350 AromaticContact ND1-CD2 3.23Å; H63-Y350 WeakPolarHBondContact ND1-CD2 3.18Å; H63-Y350 AromaticContact ND1-CE2 3.47Å; H63-Y350 WeakPolarHBondContact ND1-CE2 3.35Å; L64-Y350 WeakPolarHBondContact O-CE1 3.44Å; L64-Y350 PolarHBondContact O-OH 3.44Å; N348-Y350 HydrophobicContact CB-CD2 3.81Å; N348-Y350 HydrophobicContact CB-CE2 3.37Å; N348-Y350 PolarHBondContact ND2-OH 2.84Å; N348-Y350 VanDerWaalsContact O-CD2 3.29Å; N348-Y350 WeakPolarHBondContact O-CD2 3.16Å; N348-Y350 PolarHBondContact O-N 2.9Å; Y350-H352 PolarHBondContact O-N 2.87Å
351Y24.6Very low31Very low112 Ų11288.4 Ų88.444%0.43947%0.472SS..  trans-58.9104.5169.2-78.3-100.9000108.2P353Y351-P353 WeakPolarHBondContact O-CD 3.47Å
352H24.4Very low33.3Very low159 Ų15982.1 Ų82.174%0.73644%0.438SS*.PPolyproline II helixtrans-53.7123.7149.5-90.5-72.3000105.4Y350 M354Y350-H352 PolarHBondContact O-N 2.87Å; H352-M354 PolarHBondContact O-N 3.19Å
353P24.8Very low35.7Very low53 Ų5374 Ų7434%0.34439%0.394SS..PPolyproline II helixtrans-55.2138.8168.226.1-33.4000106.8Y351 L355Y351-P353 WeakPolarHBondContact O-CD 3.47Å; P353-L355 PolarHBondContact O-N 3.28Å
354M25.6Very low38.2Very low85 Ų8568.2 Ų68.242%0.41936%0.363SS..PPolyproline II helixtrans-50.6118.6171.9-74.1-163.471.100107.3H352H352-M354 PolarHBondContact O-N 3.19Å
355L25.7Very low40.8Very low68 Ų6858.8 Ų58.836%0.35632%0.323SS..PPolyproline II helixtrans-57.2130.6-169.9-83.375.6000107.5P353 G357 S358P353-L355 PolarHBondContact O-N 3.28Å; L355-G357 VanDerWaalsContact C-N 3.28Å; L355-G357 PolarHBondContact O-N 2.66Å; L355-S358 PolarHBondContact O-N 3.02Å; L355-S358 PolarHBondContact O-OG 2.84Å
356P26.7Very low43.2Very low37 Ų3760.2 Ų60.224%0.2431%0.314CS..THydrogen-bonded Turntrans-63.199.6170.325.9-31.4000106.8Y148 M149 Q150Y148-P356 VanDerWaalsContact OH-C 3.23Å; M149-P356 WeakPolarHBondContact O-CB 3.12Å; M149-P356 WeakPolarHBondContact O-CG 3.42Å; Q150-P356 WeakPolarHBondContact CB-O 3.44Å; Q150-P356 VanDerWaalsContact CD-O 3.29Å; Q150-P356 WeakPolarHBondContact CG-O 3.28Å; Q150-P356 PolarHBondContact OE1-O 3.04Å
357G30Very low45.8Very low37 Ų3760 Ų6038%0.38131%0.307SS..THydrogen-bonded Turntrans158.6-27.8-158.200000111.8Y148 L355Y148-G357 PolarHBondContact OH-N 2.91Å; L355-G357 VanDerWaalsContact C-N 3.28Å; L355-G357 PolarHBondContact O-N 2.66Å
358S44.2Very low48.5Very low47 Ų4754.5 Ų54.533%0.32928%0.279SS..SBendtrans-77.4131.2150.356.50000109.1L355 T360L355-S358 PolarHBondContact O-N 3.02Å; L355-S358 PolarHBondContact O-OG 2.84Å; S358-T360 PolarHBondContact O-N 2.95Å
359C49Very low51.4Low39 Ų3954.2 Ų54.226%0.26428%0.278SS..PPolyproline II helixtrans-58.3137.2-177.4-59.20000111.7P375 F376C359-P375 HydrophobicContact CB-CB 3.52Å; C359-P375 HydrophobicContact CB-CG 3.48Å; C359-P375 VanDerWaalsContact CB-CG 3.48Å; C359-F376 HydrophobicContact CB-CZ 4.37Å
360T60Low54.2Low18 Ų1848.2 Ų48.211%0.1125%0.25CS..PPolyproline II helixtrans-87.1139.8-175.339.50000111.6S358S358-T360 PolarHBondContact O-N 2.95Å
361F69.9Low57Low18 Ų1846.3 Ų46.38%0.07925%0.246CC..PPolyproline II helixtrans-64.6145166.3-64.8-80.9000109.8L289 F293 L298 V372 F376 I382L289-F361 HydrophobicContact CB-CB 4.02Å; L289-F361 WeakPolarHBondContact CB-O 3.4Å; L289-F361 PolarHBondContact N-O 2.97Å; F293-F361 HydrophobicContact CB-CD2 4.14Å; F293-F361 HydrophobicContact CB-CE2 4.05Å; F293-F361 HydrophobicContact CD2-CB 3.94Å; F293-F361 AromaticContact CD2-CD2 3.4Å; F293-F361 HydrophobicContact CD2-CD2 3.4Å; F293-F361 VanDerWaalsContact CD2-CD2 3.4Å; F293-F361 HydrophobicContact CD2-CE2 4.1Å; F293-F361 AromaticContact CD2-CG 3.75Å; F293-F361 HydrophobicContact CD2-CG 3.75Å; F293-F361 HydrophobicContact CE2-CB 3.84Å; F293-F361 HydrophobicContact CE2-CD2 4.14Å; F293-F361 HydrophobicContact CE2-CG 4Å; F293-F361 HydrophobicContact CG-CD2 4.02Å; F293-F361 HydrophobicContact CG-CE2 4.27Å; L298-F361 HydrophobicContact CD1-CE2 4.07Å; L298-F361 HydrophobicContact CD1-CZ 3.69Å; L298-F361 HydrophobicContact CD2-CE1 4.33Å; L298-F361 HydrophobicContact CD2-CE2 4.49Å; L298-F361 HydrophobicContact CD2-CZ 3.76Å; L298-F361 HydrophobicContact CG-CZ 4.38Å; F361-V372 HydrophobicContact CB-CG1 4.42Å; F361-F376 HydrophobicContact CZ-CE2 4.44Å; F361-I382 HydrophobicContact CD1-CD1 3.51Å; F361-I382 HydrophobicContact CE1-CD1 3.38Å; F361-I382 HydrophobicContact CZ-CD1 4.5Å
362L75.1Confident59.5Low6 Ų641 Ų413%0.03123%0.225CC..EExtended strand (participates in β ladder)trans-121.6130.2179.4-75.4166.4000110.1C249 V255 I286 I373C249-L362 HydrophobicContact CB-CD1 3.75Å; V255-L362 HydrophobicContact CB-CD1 3.99Å; V255-L362 HydrophobicContact CG2-CD1 3.43Å; V255-L362 VanDerWaalsContact CG2-CD1 3.43Å; I286-L362 HydrophobicContact CG2-CD2 3.9Å; L362-I373 PolarHBondContact N-O 3.47Å; L362-I373 PolarHBondContact O-N 2.95Å
363G75.1Confident62Low0 Ų034.1 Ų34.10%019%0.193CC..EExtended strand (participates in β ladder)trans-81.9120.6163.700000108.4I286 T287 L289 S371I286-G363 WeakPolarHBondContact CA-O 3.31Å; T287-G363 PolarHBondContact N-O 3.4Å; T287-G363 PolarHBondContact O-N 2.94Å; L289-G363 VanDerWaalsContact CD1-N 3.34Å; G363-S371 WeakPolarHBondContact CA-O 3.47Å
364I79Confident64.1Low5 Ų532 Ų323%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-114.2126.6172-62.8-160.4000107.6V255 Y262 I275 S371 I373V255-I364 HydrophobicContact CG1-CD1 3.9Å; Y262-I364 HydrophobicContact CD1-CD1 4.42Å; Y262-I364 HydrophobicContact CD1-CG2 3.83Å; Y262-I364 HydrophobicContact CD2-CG2 3.4Å; Y262-I364 VanDerWaalsContact CD2-CG2 3.4Å; Y262-I364 HydrophobicContact CE1-CG2 3.75Å; Y262-I364 HydrophobicContact CE2-CG2 3.3Å; Y262-I364 HydrophobicContact CG-CD1 4.36Å; Y262-I364 HydrophobicContact CG-CG2 3.65Å; Y262-I364 VanDerWaalsContact CZ-CG2 3.48Å; I275-I364 HydrophobicContact CD1-CD1 3.82Å; I275-I364 HydrophobicContact CG2-CD1 4.16Å; I364-S371 PolarHBondContact N-O 2.89Å; I364-S371 PolarHBondContact O-N 3.32Å; I364-I373 HydrophobicContact CB-CD1 4.08Å; I364-I373 HydrophobicContact CD1-CD1 3.73Å; I364-I373 HydrophobicContact CG1-CD1 3.93Å
365E78.5Confident65.7Low4 Ų428.4 Ų28.42%0.01916%0.163CC..EExtended strand (participates in β ladder)trans-98.2142.9-173.1-156.3176.7117.100113.1Y262 I285 L370 P391 V394Y262-E365 WeakPolarHBondContact CE2-O 3.48Å; Y262-E365 PolarHBondContact OH-O 2.67Å; I285-E365 HydrophobicContact CB-CB 3.9Å; I285-E365 HydrophobicContact CG2-CB 4.39Å; I285-E365 PolarHBondContact O-N 2.78Å; E365-L370 HydrophobicContact CB-CD1 3.96Å; E365-L370 HydrophobicContact CG-CD1 4.28Å; E365-P391 VanDerWaalsContact OE1-CD 3.31Å; E365-P391 WeakPolarHBondContact OE1-CD 3.22Å; E365-P391 VanDerWaalsContact OE1-CG 3.3Å; E365-P391 WeakPolarHBondContact OE1-CG 3.09Å; E365-P391 WeakPolarHBondContact OE2-CG 3.35Å; E365-V394 WeakPolarHBondContact OE2-CG2 3.31Å
366R75.5Confident67.3Low121 Ų12131 Ų3146%0.45717%0.172SC..EExtended strand (participates in β ladder)trans-147.7121.3173.2174.9171.4173.5176.9-2.5110D368 V369R366-D368 PolarHBondContact O-N 3.18Å; R366-V369 PolarHBondContact N-O 2.91Å; R366-V369 PolarHBondContact O-N 2.95Å
367D78.7Confident68.6Low67 Ų6735.1 Ų35.136%0.35819%0.187SC..THydrogen-bonded Turntrans59.6-111.1177.6-54.1-58.7000110.9G279 Q282G279-D367 VanDerWaalsContact CA-OD1 3.22Å; G279-D367 WeakPolarHBondContact CA-OD1 3.14Å; Q282-D367 PolarHBondContact NE2-O 2.98Å
368D81Confident69.9Low50 Ų5040.2 Ų40.227%0.26720%0.201SC..THydrogen-bonded Turntrans-105.213.3173.967-14.8000113.9R366 K386 W387R366-D368 PolarHBondContact O-N 3.18Å; D368-K386 WeakPolarHBondContact OD2-CE 3.31Å; D368-K386 IonicContact OD2-NZ 2.88Å; D368-K386 PolarHBondContact OD2-NZ 3.48Å; D368-W387 PolarHBondContact O-N 2.84Å
369V83.6Confident70.6Confident27 Ų2740.1 Ų40.116%0.16419%0.194CC..EExtended strand (participates in β ladder)trans-122.3123.3-172.9-177.90000112.8R366 Q384 I385 K386R366-V369 PolarHBondContact N-O 2.91Å; R366-V369 PolarHBondContact O-N 2.95Å; V369-Q384 HydrophobicContact CG1-CB 3.67Å; V369-Q384 HydrophobicContact CG1-CG 3.78Å; V369-I385 WeakPolarHBondContact CA-O 3.42Å; V369-K386 HydrophobicContact CG2-CB 4.49Å; V369-K386 HydrophobicContact CG2-CG 4.37Å
370L83.5Confident71.2Confident0 Ų044.9 Ų44.90%021%0.21CC..EExtended strand (participates in β ladder)trans-87.4117.9163.6-168.576.5000109.9E365 Q384 I385 V394 I401E365-L370 HydrophobicContact CB-CD1 3.96Å; E365-L370 HydrophobicContact CG-CD1 4.28Å; L370-Q384 CarbonylContact O-C 3.58Å; L370-Q384 WeakPolarHBondContact O-CA 3.39Å; L370-I385 HydrophobicContact CB-CB 4.31Å; L370-I385 HydrophobicContact CD2-CD1 3.96Å; L370-I385 PolarHBondContact N-O 2.93Å; L370-I385 PolarHBondContact O-N 2.98Å; L370-V394 HydrophobicContact CD2-CG1 4.3Å; L370-I401 HydrophobicContact CD2-CD1 3.44Å; L370-I401 VanDerWaalsContact CD2-CD1 3.44Å
371S81.3Confident71.5Confident20 Ų2046.3 Ų46.314%0.1422%0.221CC..EExtended strand (participates in β ladder)trans-94.3127174.1-64.10000110.3G363 I364 S381 Q384G363-S371 WeakPolarHBondContact CA-O 3.47Å; I364-S371 PolarHBondContact N-O 2.89Å; I364-S371 PolarHBondContact O-N 3.32Å; S371-S381 WeakPolarHBondContact CB-OG 3.16Å; S371-Q384 PolarHBondContact OG-NE2 3.12Å
372V78.7Confident71.5Confident0 Ų048.1 Ų48.10%023%0.231CC..EExtended strand (participates in β ladder)trans-94.9116-179.4178.20000110L289 F293 F361 S381 I382 F383L289-V372 HydrophobicContact CD1-CB 4.18Å; L289-V372 HydrophobicContact CD1-CG1 3.66Å; L289-V372 HydrophobicContact CD1-CG2 3.71Å; F293-V372 HydrophobicContact CE2-CG1 4.04Å; F293-V372 HydrophobicContact CZ-CG1 3.84Å; F361-V372 HydrophobicContact CB-CG1 4.42Å; V372-S381 PolarHBondContact N-OG 2.89Å; V372-S381 CarbonylContact O-C 3.59Å; V372-S381 WeakPolarHBondContact O-CA 3.48Å; V372-I382 HydrophobicContact CG1-CD1 4.34Å; V372-I382 WeakPolarHBondContact O-CG1 3.22Å; V372-I382 PolarHBondContact O-N 2.91Å; V372-F383 HydrophobicContact CB-CD1 4.1Å; V372-F383 HydrophobicContact CB-CE1 3.87Å; V372-F383 HydrophobicContact CB-CZ 4.19Å; V372-F383 HydrophobicContact CG1-CD1 4.39Å; V372-F383 HydrophobicContact CG1-CE1 3.85Å; V372-F383 HydrophobicContact CG1-CZ 4.33Å; V372-F383 HydrophobicContact CG2-CD1 4.39Å; V372-F383 HydrophobicContact CG2-CD2 4.36Å; V372-F383 HydrophobicContact CG2-CE1 3.93Å; V372-F383 HydrophobicContact CG2-CE2 3.92Å; V372-F383 HydrophobicContact CG2-CZ 3.69Å; V372-F383 PolarHBondContact N-O 3.33Å
373I76.1Confident71.4Confident14 Ų1449.5 Ų49.57%0.07224%0.236CC..EExtended strand (participates in β ladder)trans-107.4134.5-171-57.8-172.3000111.6I275 L362 I364 Y379I275-I373 HydrophobicContact CG2-CD1 3.46Å; I275-I373 VanDerWaalsContact CG2-CD1 3.46Å; L362-I373 PolarHBondContact N-O 3.47Å; L362-I373 PolarHBondContact O-N 2.95Å; I364-I373 HydrophobicContact CB-CD1 4.08Å; I364-I373 HydrophobicContact CD1-CD1 3.73Å; I364-I373 HydrophobicContact CG1-CD1 3.93Å; I373-Y379 HydrophobicContact CG2-CD1 4.19Å
374S68.4Low71.6Confident10 Ų1054.8 Ų54.87%0.0726%0.261CS..  trans-79.8134.2174.9-1720000111.7F376S374-F376 PolarHBondContact O-N 3.45Å; S374-F376 PolarHBondContact OG-N 2.79Å
375P59.9Low71.7Confident8 Ų854.5 Ų54.55%0.05226%0.26CS..THydrogen-bonded Turntrans-74.5-6.5169.131.5-34.3000113.3K253 C359K253-P375 PolarHBondContact NZ-O 3.5Å; C359-P375 HydrophobicContact CB-CB 3.52Å; C359-P375 HydrophobicContact CB-CG 3.48Å; C359-P375 VanDerWaalsContact CB-CG 3.48Å
376F59.5Low72.1Confident124 Ų12460.4 Ų60.454%0.54429%0.285SS..THydrogen-bonded Turntrans-103.5-27.6-171.8-56.5-72.4000115C359 F361 S374C359-F376 HydrophobicContact CB-CZ 4.37Å; F361-F376 HydrophobicContact CZ-CE2 4.44Å; S374-F376 PolarHBondContact O-N 3.45Å; S374-F376 PolarHBondContact OG-N 2.79Å
377H53.4Low72.6Confident123 Ų12354.9 Ų54.957%0.56927%0.265SS*.THydrogen-bonded Turntrans-134.6110.1-172.9-66.7-86000112.5Y379 K380H377-Y379 PolarHBondContact O-N 2.87Å; H377-K380 PolarHBondContact O-N 3.19Å
378E57.2Low72.9Confident143 Ų14355.5 Ų55.567%0.66827%0.274SS*.THydrogen-bonded Turntrans45.810.7163.4-60.7-171.5135.100118.8K380E378-K380 HydrophobicContact CB-CD 4.18Å; E378-K380 HydrophobicContact CB-CG 4.17Å; E378-K380 PolarHBondContact O-N 2.82Å; E378-K380 VanDerWaalsContact O-N 3.12Å; E378-K380 WeakPolarHBondContact OE2-CE 3.39Å; E378-K380 IonicContact OE2-NZ 3.18Å; E378-K380 PolarHBondContact OE2-NZ 2.95Å
379Y60.1Low73Confident45 Ų4556.7 Ų56.718%0.17628%0.28CS..THydrogen-bonded Turntrans52.423.1-169.8-45.2-71.3000114.7K253 L264 I373 H377K253-Y379 PolarHBondContact NZ-OH 2.88Å; L264-Y379 HydrophobicContact CD2-CD1 4.22Å; L264-Y379 HydrophobicContact CD2-CD2 4.41Å; L264-Y379 HydrophobicContact CD2-CE1 3.49Å; L264-Y379 VanDerWaalsContact CD2-CE1 3.49Å; L264-Y379 HydrophobicContact CD2-CE2 3.74Å; L264-Y379 VanDerWaalsContact CD2-OH 3.22Å; L264-Y379 WeakPolarHBondContact CD2-OH 3.34Å; I373-Y379 HydrophobicContact CG2-CD1 4.19Å; H377-Y379 PolarHBondContact O-N 2.87Å
380K61.6Low73Confident139 Ų13958.7 Ų58.760%0.60429%0.29SS*.  trans-67.2143.3171.4-74.3173.1174.7165.80110.1H377 E378 I382H377-K380 PolarHBondContact O-N 3.19Å; E378-K380 HydrophobicContact CB-CD 4.18Å; E378-K380 HydrophobicContact CB-CG 4.17Å; E378-K380 PolarHBondContact O-N 2.82Å; E378-K380 VanDerWaalsContact O-N 3.12Å; E378-K380 WeakPolarHBondContact OE2-CE 3.39Å; E378-K380 IonicContact OE2-NZ 3.18Å; E378-K380 PolarHBondContact OE2-NZ 2.95Å; K380-I382 PolarHBondContact O-N 3.03Å
381S65.6Low73Confident49 Ų4958.8 Ų58.834%0.34329%0.29SS..EExtended strand (participates in β ladder)trans-71.8117.8174.9-172.20000109.5S371 V372 F383S371-S381 WeakPolarHBondContact CB-OG 3.16Å; V372-S381 PolarHBondContact N-OG 2.89Å; V372-S381 CarbonylContact O-C 3.59Å; V372-S381 WeakPolarHBondContact O-CA 3.48Å; S381-F383 PolarHBondContact OG-O 3.45Å
382I69.3Low73Confident56 Ų5664.6 Ų64.629%0.28731%0.31SS..EExtended strand (participates in β ladder)trans-66.7-44.6179.6-48.9169.9000109.9F361 V372 K380F361-I382 HydrophobicContact CD1-CD1 3.51Å; F361-I382 HydrophobicContact CE1-CD1 3.38Å; F361-I382 HydrophobicContact CZ-CD1 4.5Å; V372-I382 HydrophobicContact CG1-CD1 4.34Å; V372-I382 WeakPolarHBondContact O-CG1 3.22Å; V372-I382 PolarHBondContact O-N 2.91Å; K380-I382 PolarHBondContact O-N 3.03Å
383F73.7Confident73.2Confident34 Ų3468.2 Ų68.215%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-157.6170.8172.668.3-82.1000109.8F293 V372 S381 I385 L414F293-F383 AromaticContact CE1-CE1 3.51Å; F293-F383 HydrophobicContact CE1-CE1 3.51Å; F293-F383 AromaticContact CE1-CZ 3.69Å; F293-F383 HydrophobicContact CE1-CZ 3.69Å; F293-F383 AromaticContact CZ-CE1 3.57Å; F293-F383 HydrophobicContact CZ-CE1 3.57Å; F293-F383 AromaticContact CZ-CZ 3.61Å; F293-F383 HydrophobicContact CZ-CZ 3.61Å; V372-F383 HydrophobicContact CB-CD1 4.1Å; V372-F383 HydrophobicContact CB-CE1 3.87Å; V372-F383 HydrophobicContact CB-CZ 4.19Å; V372-F383 HydrophobicContact CG1-CD1 4.39Å; V372-F383 HydrophobicContact CG1-CE1 3.85Å; V372-F383 HydrophobicContact CG1-CZ 4.33Å; V372-F383 HydrophobicContact CG2-CD1 4.39Å; V372-F383 HydrophobicContact CG2-CD2 4.36Å; V372-F383 HydrophobicContact CG2-CE1 3.93Å; V372-F383 HydrophobicContact CG2-CE2 3.92Å; V372-F383 HydrophobicContact CG2-CZ 3.69Å; V372-F383 PolarHBondContact N-O 3.33Å; S381-F383 PolarHBondContact OG-O 3.45Å; F383-I385 HydrophobicContact CD2-CG1 4.48Å; F383-I385 HydrophobicContact CE2-CG1 4.11Å; F383-L414 HydrophobicContact CE2-CD2 4.01Å; F383-L414 HydrophobicContact CZ-CB 4.41Å; F383-L414 HydrophobicContact CZ-CD2 3.88Å
384Q78.2Confident73.7Confident111 Ų11167.9 Ų67.952%0.51933%0.325SS..EExtended strand (participates in β ladder)trans-127.3147.5-176.2-75.5-177-26.900111.6V369 L370 S371 N417V369-Q384 HydrophobicContact CG1-CB 3.67Å; V369-Q384 HydrophobicContact CG1-CG 3.78Å; L370-Q384 CarbonylContact O-C 3.58Å; L370-Q384 WeakPolarHBondContact O-CA 3.39Å; S371-Q384 PolarHBondContact OG-NE2 3.12Å; Q384-N417 PolarHBondContact O-ND2 2.85Å
385I82.2Confident74.5Confident0 Ų068.7 Ų68.70%033%0.328CS..EExtended strand (participates in β ladder)trans-116.4114173.5-44.8172.3000107.8V369 L370 F383 I401 L414V369-I385 WeakPolarHBondContact CA-O 3.42Å; L370-I385 HydrophobicContact CB-CB 4.31Å; L370-I385 HydrophobicContact CD2-CD1 3.96Å; L370-I385 PolarHBondContact N-O 2.93Å; L370-I385 PolarHBondContact O-N 2.98Å; F383-I385 HydrophobicContact CD2-CG1 4.48Å; F383-I385 HydrophobicContact CE2-CG1 4.11Å; I385-I401 HydrophobicContact CD1-CD1 3.97Å; I385-I401 HydrophobicContact CD1-CG2 4.13Å; I385-L414 HydrophobicContact CD1-CD2 3.34Å; I385-L414 HydrophobicContact CG1-CD2 4.35Å
386K85.7Confident75.5Confident127 Ų12769 Ų6955%0.55233%0.329SS*.EExtended strand (participates in β ladder)trans-89.8113.1172.2-170.2175.7-170.1179.10110.3D368 V369 R412D368-K386 WeakPolarHBondContact OD2-CE 3.31Å; D368-K386 IonicContact OD2-NZ 2.88Å; D368-K386 PolarHBondContact OD2-NZ 3.48Å; V369-K386 HydrophobicContact CG2-CB 4.49Å; V369-K386 HydrophobicContact CG2-CG 4.37Å; K386-R412 PolarHBondContact O-NH1 3.34Å; K386-R412 PolarHBondContact O-NH2 2.95Å
387W86.3Confident76.5Confident6 Ų663.1 Ų63.12%0.02330%0.303CS..  trans-72.3163.1175.7-61.3108.2000111.4D368 N389 P391 V394 I401 M405 E410 R412D368-W387 PolarHBondContact O-N 2.84Å; W387-N389 VanDerWaalsContact C-N 3.29Å; W387-N389 WeakPolarHBondContact CB-O 3.34Å; W387-P391 HydrophobicContact CD2-CG 4.41Å; W387-P391 HydrophobicContact CG-CG 4.21Å; W387-V394 HydrophobicContact CH2-CG1 4.33Å; W387-V394 HydrophobicContact CZ2-CB 4.44Å; W387-V394 HydrophobicContact CZ2-CG1 3.85Å; W387-V394 HydrophobicContact CZ2-CG2 3.68Å; W387-I401 HydrophobicContact CH2-CG1 4.11Å; W387-I401 HydrophobicContact CH2-CG2 4.13Å; W387-I401 HydrophobicContact CZ2-CD1 4.47Å; W387-I401 HydrophobicContact CZ2-CG1 4.39Å; W387-M405 HydrophobicContact CB-CE 3.97Å; W387-M405 HydrophobicContact CE3-CE 4.35Å; W387-E410 HydrophobicContact CE3-CB 4.27Å; W387-E410 HydrophobicContact CE3-CG 4.09Å; W387-E410 HydrophobicContact CZ3-CB 4.34Å; W387-E410 HydrophobicContact CZ3-CG 4.22Å; W387-R412 HydrophobicContact CE3-CG 4.48Å; W387-R412 HydrophobicContact CZ3-CG 4.05Å
388S85.9Confident77.4Confident79 Ų7957.4 Ų57.455%0.55228%0.277SS*.SBendtrans-72.9-19171-72.40000114.4E410S388-E410 VanDerWaalsContact CB-OE2 3.24Å; S388-E410 WeakPolarHBondContact CB-OE2 3.17Å; S388-E410 PolarHBondContact N-OE1 3.32Å; S388-E410 PolarHBondContact OG-OE2 2.91Å
389N83.3Confident78.3Confident75 Ų7551.2 Ų51.240%0.40125%0.249SC..SBendtrans-157.3168.6171.2-16813.4000108.6W387 P391 M405W387-N389 VanDerWaalsContact C-N 3.29Å; W387-N389 WeakPolarHBondContact CB-O 3.34Å; N389-P391 WeakPolarHBondContact O-CD 3.44Å; N389-M405 HydrophobicContact CB-CE 4.49Å; N389-M405 HydrophobicContact CB-CG 4.37Å; N389-M405 HydrophobicContact CB-SD 3.85Å; N389-M405 WeakPolarHBondContact O-CE 3.3Å
390I83Confident79.5Confident70 Ų7049.5 Ų49.536%0.35924%0.242SC..  trans-57120.8172.8-59166.8000109.6
391P84.5Confident80.7Confident2 Ų242.9 Ų42.91%0.01321%0.214CC..  trans-83.9150.3170.635.5-34.5000111.7E365 W387 N389 V394 T404E365-P391 VanDerWaalsContact OE1-CD 3.31Å; E365-P391 WeakPolarHBondContact OE1-CD 3.22Å; E365-P391 VanDerWaalsContact OE1-CG 3.3Å; E365-P391 WeakPolarHBondContact OE1-CG 3.09Å; E365-P391 WeakPolarHBondContact OE2-CG 3.35Å; W387-P391 HydrophobicContact CD2-CG 4.41Å; W387-P391 HydrophobicContact CG-CG 4.21Å; N389-P391 WeakPolarHBondContact O-CD 3.44Å; P391-V394 HydrophobicContact CB-CG2 4.26Å; P391-V394 HydrophobicContact CG-CG2 3.83Å; P391-T404 CarbonylContact C-O 3.44Å; P391-T404 VanDerWaalsContact CA-O 3.29Å; P391-T404 WeakPolarHBondContact CA-O 3.29Å
392Y80.7Confident81.8Confident141 Ų14140.6 Ų40.655%0.55320%0.198SC*.SBendtrans-84.5-23.1172.5-62.8-65.3000113.3I285 T404 D406I285-Y392 WeakPolarHBondContact CD1-O 3.36Å; Y392-T404 PolarHBondContact N-O 2.95Å; Y392-D406 VanDerWaalsContact CE2-OD1 3.28Å; Y392-D406 WeakPolarHBondContact CE2-OD1 3.46Å; Y392-D406 PolarHBondContact OH-OD1 3.01Å; Y392-D406 PolarHBondContact OH-OD2 2.82Å
393Q82.7Confident82.7Confident77 Ų7737.9 Ų37.936%0.3618%0.184SC..  trans-157.1140.6-179.9-163.2171.939.200108.9H395 T404Q393-H395 PolarHBondContact OE1-NE2 3.01Å; Q393-T404 HydrophobicContact CB-CG2 4.29Å; Q393-T404 WeakPolarHBondContact CB-OG1 3.13Å; Q393-T404 PolarHBondContact N-OG1 3.26Å; Q393-T404 PolarHBondContact O-N 3.41Å; Q393-T404 PolarHBondContact O-OG1 3.32Å
394V86Confident83.4Confident6 Ų636.4 Ų36.44%0.03618%0.178CC..EExtended strand (participates in β ladder)trans-114.4113.9174.7175.70000109.5I285 T287 E365 L370 W387 P391 I401 I402I285-V394 HydrophobicContact CG2-CB 4.42Å; I285-V394 HydrophobicContact CG2-CG2 4.48Å; T287-V394 VanDerWaalsContact CG2-O 3.22Å; T287-V394 WeakPolarHBondContact CG2-O 3.23Å; T287-V394 PolarHBondContact OG1-O 3.07Å; E365-V394 WeakPolarHBondContact OE2-CG2 3.31Å; L370-V394 HydrophobicContact CD2-CG1 4.3Å; W387-V394 HydrophobicContact CH2-CG1 4.33Å; W387-V394 HydrophobicContact CZ2-CB 4.44Å; W387-V394 HydrophobicContact CZ2-CG1 3.85Å; W387-V394 HydrophobicContact CZ2-CG2 3.68Å; P391-V394 HydrophobicContact CB-CG2 4.26Å; P391-V394 HydrophobicContact CG-CG2 3.83Å; V394-I401 HydrophobicContact CG1-CD1 3.71Å; V394-I401 HydrophobicContact CG1-CG1 3.6Å; V394-I402 WeakPolarHBondContact CA-O 3.45Å
395H85.1Confident83.8Confident28 Ų2831.5 Ų31.513%0.1316%0.155CC..EExtended strand (participates in β ladder)trans-98.8158.5174.4-76.3-83.6000111.4Q393 I402 M431Q393-H395 PolarHBondContact OE1-NE2 3.01Å; H395-I402 HydrophobicContact CB-CB 4.37Å; H395-I402 PolarHBondContact N-O 3.35Å; H395-I402 PolarHBondContact O-N 3.15Å; H395-M431 HydrophobicContact CB-SD 4.43Å; H395-M431 VanDerWaalsContact CD2-SD 3.5Å; H395-M431 PolarHBondContact CE1-O 3.34Å; H395-M431 VanDerWaalsContact CE1-O 3.24Å; H395-M431 WeakPolarHBondContact NE2-CB 3.42Å
396I82.7Confident83.7Confident13 Ų1334.7 Ų34.77%0.06717%0.172CC..EExtended strand (participates in β ladder)trans-127.2131.8177.7-61.1164.1000108.5T287 S288 L289 C292 P398 I401 Y433T287-I396 HydrophobicContact CG2-CD1 3.43Å; T287-I396 VanDerWaalsContact CG2-CD1 3.43Å; T287-I396 HydrophobicContact CG2-CG1 3.83Å; S288-I396 WeakPolarHBondContact O-CD1 3.37Å; L289-I396 HydrophobicContact CD2-CD1 3.63Å; L289-I396 HydrophobicContact CD2-CG1 4.27Å; L289-I396 HydrophobicContact CG-CD1 4.17Å; C292-I396 VanDerWaalsContact SG-CG2 3.56Å; I396-P398 HydrophobicContact CG2-CG 3.89Å; I396-I401 HydrophobicContact CG1-CG1 4.19Å; I396-Y433 WeakPolarHBondContact O-CE1 3.11Å
397F80.1Confident83.6Confident1 Ų134 Ų340%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-13886.6172.9-176.1-100.3000107F5 Y400 I402 Y433 F439F5-F397 AromaticContact CE1-CD1 3.93Å; F5-F397 HydrophobicContact CE1-CD1 3.93Å; F5-F397 AromaticContact CE1-CE1 3.83Å; F5-F397 HydrophobicContact CE1-CE1 3.83Å; F5-F397 AromaticContact CZ-CD1 3.77Å; F5-F397 HydrophobicContact CZ-CD1 3.77Å; F5-F397 HydrophobicContact CZ-CE1 4.01Å; F397-Y400 CarbonylContact C-O 3.53Å; F397-Y400 HydrophobicContact CD1-CD2 4.21Å; F397-Y400 PolarHBondContact N-O 3.33Å; F397-Y400 WeakPolarHBondContact O-CA 3.27Å; F397-Y400 WeakPolarHBondContact O-CB 3.29Å; F397-Y400 WeakPolarHBondContact O-CD2 3.27Å; F397-Y400 PolarHBondContact O-N 2.97Å; F397-I402 HydrophobicContact CB-CD1 4.27Å; F397-Y433 AromaticContact CD2-CD2 3.85Å; F397-Y433 HydrophobicContact CD2-CD2 3.85Å; F397-Y433 AromaticContact CD2-CG 3.8Å; F397-Y433 HydrophobicContact CD2-CG 3.8Å; F397-Y433 HydrophobicContact CE2-CD2 4.19Å; F397-Y433 HydrophobicContact CE2-CG 4.34Å; F397-F439 HydrophobicContact CE2-CB 4.3Å
398P72.4Confident83.7Confident3 Ų335.5 Ų35.52%0.01918%0.184CC..THydrogen-bonded Turntrans-57.3138.9-160.3-27.936000113.9I396 Y400 T517 Y520I396-P398 HydrophobicContact CG2-CG 3.89Å; P398-Y400 VanDerWaalsContact C-N 3.33Å; P398-T517 HydrophobicContact CB-CG2 4.29Å; P398-Y520 HydrophobicContact CB-CD2 4.18Å; P398-Y520 HydrophobicContact CG-CD2 3.84Å; P398-Y520 HydrophobicContact CG-CE2 4.42Å; P398-Y520 HydrophobicContact CG-CG 4.48Å
399P74.6Confident83.8Confident13 Ų1331.7 Ų31.78%0.08416%0.158CC..THydrogen-bonded Turncis-84.18.35.133.8-34.2000114.8L514 T517P399-L514 HydrophobicContact CG-CD2 3.74Å; P399-T517 HydrophobicContact CB-CG2 3.96Å; P399-T517 HydrophobicContact CG-CG2 4.19Å
400Y85.2Confident84.2Confident9 Ų928.1 Ų28.14%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-87.8149.5-175.4-48.6-82.5000113.1A4 F5 F397 P398 I411 R412 T413 I420 L514A4-Y400 HydrophobicContact CB-CE1 4.38Å; F5-Y400 HydrophobicContact CE2-CD1 4.17Å; F5-Y400 AromaticContact CE2-CD2 3.74Å; F5-Y400 HydrophobicContact CE2-CD2 3.74Å; F5-Y400 HydrophobicContact CE2-CE1 4.14Å; F5-Y400 AromaticContact CE2-CE2 3.7Å; F5-Y400 HydrophobicContact CE2-CE2 3.7Å; F5-Y400 AromaticContact CE2-CG 3.95Å; F5-Y400 HydrophobicContact CE2-CG 3.95Å; F5-Y400 AromaticContact CE2-CZ 3.89Å; F5-Y400 AromaticContact CZ-CD2 3.54Å; F5-Y400 HydrophobicContact CZ-CD2 3.54Å; F5-Y400 AromaticContact CZ-CE2 3.58Å; F5-Y400 HydrophobicContact CZ-CE2 3.58Å; F5-Y400 HydrophobicContact CZ-CG 4.15Å; F397-Y400 CarbonylContact C-O 3.53Å; F397-Y400 HydrophobicContact CD1-CD2 4.21Å; F397-Y400 PolarHBondContact N-O 3.33Å; F397-Y400 WeakPolarHBondContact O-CA 3.27Å; F397-Y400 WeakPolarHBondContact O-CB 3.29Å; F397-Y400 WeakPolarHBondContact O-CD2 3.27Å; F397-Y400 PolarHBondContact O-N 2.97Å; P398-Y400 VanDerWaalsContact C-N 3.33Å; Y400-I411 HydrophobicContact CD1-CG2 3.87Å; Y400-I411 HydrophobicContact CG-CG2 4.14Å; Y400-R412 CarbonylContact C-O 3.4Å; Y400-R412 VanDerWaalsContact CA-O 3.26Å; Y400-R412 WeakPolarHBondContact CA-O 3.32Å; Y400-T413 HydrophobicContact CD1-CG2 3.94Å; Y400-T413 HydrophobicContact CE1-CG2 4.21Å; Y400-I420 HydrophobicContact CD1-CG1 4.17Å; Y400-I420 HydrophobicContact CE1-CG1 4.15Å; Y400-I420 HydrophobicContact CE1-CG2 4.22Å; Y400-L514 HydrophobicContact CE1-CD2 4.18Å; Y400-L514 HydrophobicContact CE2-CD2 4.31Å; Y400-L514 VanDerWaalsContact OH-CD2 3.27Å; Y400-L514 WeakPolarHBondContact OH-CD2 3.27Å
401I86.7Confident84.5Confident0 Ų024.8 Ų24.80%012%0.121CC..EExtended strand (participates in β ladder)trans-121.8138.5168.3-165.5169.7000108.9L289 L370 I385 W387 V394 I396 R412 L414L289-I401 HydrophobicContact CD2-CD1 3.92Å; L370-I401 HydrophobicContact CD2-CD1 3.44Å; L370-I401 VanDerWaalsContact CD2-CD1 3.44Å; I385-I401 HydrophobicContact CD1-CD1 3.97Å; I385-I401 HydrophobicContact CD1-CG2 4.13Å; W387-I401 HydrophobicContact CH2-CG1 4.11Å; W387-I401 HydrophobicContact CH2-CG2 4.13Å; W387-I401 HydrophobicContact CZ2-CD1 4.47Å; W387-I401 HydrophobicContact CZ2-CG1 4.39Å; V394-I401 HydrophobicContact CG1-CD1 3.71Å; V394-I401 HydrophobicContact CG1-CG1 3.6Å; I396-I401 HydrophobicContact CG1-CG1 4.19Å; I401-R412 HydrophobicContact CG2-CB 4.02Å; I401-R412 PolarHBondContact N-O 3.12Å; I401-R412 PolarHBondContact O-N 3.49Å; I401-L414 HydrophobicContact CB-CG 4.41Å; I401-L414 HydrophobicContact CD1-CD2 4.18Å; I401-L414 HydrophobicContact CG2-CD2 4.33Å; I401-L414 HydrophobicContact CG2-CG 4.22Å
402I89.6Confident84.8Confident1 Ų126.1 Ų26.11%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-132.2111.8-163.1-55.4-178.7000110V394 H395 F397 L409 E410 I411 M431 F439V394-I402 WeakPolarHBondContact CA-O 3.45Å; H395-I402 HydrophobicContact CB-CB 4.37Å; H395-I402 PolarHBondContact N-O 3.35Å; H395-I402 PolarHBondContact O-N 3.15Å; F397-I402 HydrophobicContact CB-CD1 4.27Å; I402-L409 HydrophobicContact CG2-CB 4.46Å; I402-E410 CarbonylContact C-O 3.54Å; I402-E410 VanDerWaalsContact CA-O 3.27Å; I402-E410 WeakPolarHBondContact CA-O 3.32Å; I402-I411 HydrophobicContact CD1-CD1 4.46Å; I402-I411 HydrophobicContact CD1-CG1 4.34Å; I402-I411 HydrophobicContact CG1-CG1 4.15Å; I402-I411 HydrophobicContact CG1-CG2 4.25Å; I402-I411 HydrophobicContact CG2-CG1 4.28Å; I402-M431 HydrophobicContact CG2-SD 4.44Å; I402-F439 HydrophobicContact CD1-CE1 3.46Å; I402-F439 VanDerWaalsContact CD1-CE1 3.46Å; I402-F439 HydrophobicContact CD1-CZ 3.45Å; I402-F439 VanDerWaalsContact CD1-CZ 3.45Å
403G88.6Confident84.9Confident0 Ų019.4 Ų19.40%010%0.1CC..EExtended strand (participates in β ladder)trans-95.8130.2176.900000111.6E410G403-E410 PolarHBondContact N-O 3.48Å; G403-E410 PolarHBondContact O-N 3.35Å
404T89.1Confident84.5Confident3 Ų316 Ų162%0.0188%0.084CC..EExtended strand (participates in β ladder)trans-92.4110.1177.867.10000111P391 Y392 Q393 L409 V428 M431P391-T404 CarbonylContact C-O 3.44Å; P391-T404 VanDerWaalsContact CA-O 3.29Å; P391-T404 WeakPolarHBondContact CA-O 3.29Å; Y392-T404 PolarHBondContact N-O 2.95Å; Q393-T404 HydrophobicContact CB-CG2 4.29Å; Q393-T404 WeakPolarHBondContact CB-OG1 3.13Å; Q393-T404 PolarHBondContact N-OG1 3.26Å; Q393-T404 PolarHBondContact O-N 3.41Å; Q393-T404 PolarHBondContact O-OG1 3.32Å; T404-L409 HydrophobicContact CG2-CD2 3.67Å; T404-V428 HydrophobicContact CG2-CG1 4.21Å; T404-M431 HydrophobicContact CG2-CG 4.41Å; T404-M431 HydrophobicContact CG2-SD 3.63Å
405M85.6Confident83.7Confident8 Ų818.4 Ų18.44%0.03910%0.097CC..  trans-104.3174176.7-54.3170.5-17500110.4W387 N389 N407 T408 E410W387-M405 HydrophobicContact CB-CE 3.97Å; W387-M405 HydrophobicContact CE3-CE 4.35Å; N389-M405 HydrophobicContact CB-CE 4.49Å; N389-M405 HydrophobicContact CB-CG 4.37Å; N389-M405 HydrophobicContact CB-SD 3.85Å; N389-M405 WeakPolarHBondContact O-CE 3.3Å; M405-N407 VanDerWaalsContact C-N 3.29Å; M405-N407 PolarHBondContact O-N 3.49Å; M405-T408 WeakPolarHBondContact CA-O 3.29Å; M405-T408 WeakPolarHBondContact CB-O 3.46Å; M405-T408 PolarHBondContact N-O 3.33Å; M405-E410 HydrophobicContact CE-CB 3.61Å; M405-E410 HydrophobicContact CE-CG 4.24Å; M405-E410 HydrophobicContact SD-CB 4.38Å
406D79.5Confident83.1Confident66 Ų6618.9 Ų18.935%0.35310%0.102SC..SBendtrans-50.6-48.2178.9-66.3-67.1000113.2Y392 T426 R427Y392-D406 VanDerWaalsContact CE2-OD1 3.28Å; Y392-D406 WeakPolarHBondContact CE2-OD1 3.46Å; Y392-D406 PolarHBondContact OH-OD1 3.01Å; Y392-D406 PolarHBondContact OH-OD2 2.82Å; D406-T426 WeakPolarHBondContact O-CA 3.43Å; D406-R427 PolarHBondContact O-N 3.45Å
407N83.2Confident82.9Confident114 Ų11421.4 Ų21.461%0.6112%0.116SC*.SBendtrans-112.4-12.3-166.4-66.6-39.7000113.9M405M405-N407 VanDerWaalsContact C-N 3.29Å; M405-N407 PolarHBondContact O-N 3.49Å
408T88.4Confident83Confident36 Ų3624.7 Ų24.722%0.22113%0.13CC..  trans-148.8149.4-169.941.90000112.3M405 L423M405-T408 WeakPolarHBondContact CA-O 3.29Å; M405-T408 WeakPolarHBondContact CB-O 3.46Å; M405-T408 PolarHBondContact N-O 3.33Å; T408-L423 CarbonylContact C-O 3.58Å; T408-L423 VanDerWaalsContact CA-O 3.29Å; T408-L423 WeakPolarHBondContact CA-O 3.47Å
409L89.7Confident83.7Confident0 Ų027 Ų270%014%0.142CC..EExtended strand (participates in β ladder)trans-94.3125.5157.5-61.7175000108.7I402 T404 Q422 L423 I425 V428 M431 I490I402-L409 HydrophobicContact CG2-CB 4.46Å; T404-L409 HydrophobicContact CG2-CD2 3.67Å; L409-Q422 CarbonylContact O-C 3.56Å; L409-Q422 VanDerWaalsContact O-CA 3.27Å; L409-Q422 WeakPolarHBondContact O-CA 3.47Å; L409-L423 HydrophobicContact CB-CB 4.22Å; L409-L423 HydrophobicContact CD1-CD1 4.39Å; L409-L423 PolarHBondContact N-O 3.26Å; L409-L423 PolarHBondContact O-N 2.81Å; L409-I425 HydrophobicContact CD1-CB 4.17Å; L409-I425 HydrophobicContact CD1-CD1 3.88Å; L409-I425 HydrophobicContact CD1-CG1 4.27Å; L409-I425 HydrophobicContact CG-CB 4.33Å; L409-V428 HydrophobicContact CD1-CG2 4.41Å; L409-V428 HydrophobicContact CD2-CB 4.19Å; L409-V428 HydrophobicContact CD2-CG1 4.38Å; L409-V428 HydrophobicContact CD2-CG2 3.9Å; L409-V428 HydrophobicContact CG-CG2 4.27Å; L409-M431 HydrophobicContact CD1-CE 3.53Å; L409-M431 HydrophobicContact CD2-CE 4Å; L409-M431 HydrophobicContact CD2-SD 4.1Å; L409-M431 HydrophobicContact CG-CE 4.4Å; L409-I490 HydrophobicContact CD1-CD1 3.79Å
410E90.9Very high84.3Confident0 Ų026.3 Ų26.30%014%0.138CC..EExtended strand (participates in β ladder)trans-100.2119.4176.3-179.7159.7121.200111.1W387 S388 I402 G403 M405 R412 L419 Q422W387-E410 HydrophobicContact CE3-CB 4.27Å; W387-E410 HydrophobicContact CE3-CG 4.09Å; W387-E410 HydrophobicContact CZ3-CB 4.34Å; W387-E410 HydrophobicContact CZ3-CG 4.22Å; S388-E410 VanDerWaalsContact CB-OE2 3.24Å; S388-E410 WeakPolarHBondContact CB-OE2 3.17Å; S388-E410 PolarHBondContact N-OE1 3.32Å; S388-E410 PolarHBondContact OG-OE2 2.91Å; I402-E410 CarbonylContact C-O 3.54Å; I402-E410 VanDerWaalsContact CA-O 3.27Å; I402-E410 WeakPolarHBondContact CA-O 3.32Å; G403-E410 PolarHBondContact N-O 3.48Å; G403-E410 PolarHBondContact O-N 3.35Å; M405-E410 HydrophobicContact CE-CB 3.61Å; M405-E410 HydrophobicContact CE-CG 4.24Å; M405-E410 HydrophobicContact SD-CB 4.38Å; E410-R412 HydrophobicContact CG-CG 3.94Å; E410-R412 WeakPolarHBondContact OE1-CD 3.15Å; E410-R412 IonicContact OE1-CZ 2.6Å; E410-R412 IonicContact OE1-NE 2.78Å; E410-R412 IonicContact OE1-NH1 3.3Å; E410-R412 PolarHBondContact OE1-NH1 2.85Å; E410-L419 HydrophobicContact CG-CD1 3.53Å; E410-Q422 HydrophobicContact CB-CG 4.39Å; E410-Q422 HydrophobicContact CG-CG 4.34Å; E410-Q422 PolarHBondContact OE2-NE2 3.39Å
411I90.2Very high84.6Confident0 Ų027.1 Ų27.10%014%0.142CC..EExtended strand (participates in β ladder)trans-108.2118.1-178-53-176.5000109.2F5 Y400 I402 I420 Q421 L423F5-I411 HydrophobicContact CB-CD1 4.27Å; F5-I411 HydrophobicContact CD2-CD1 3.51Å; F5-I411 HydrophobicContact CD2-CG2 4.17Å; F5-I411 HydrophobicContact CE2-CD1 4.09Å; F5-I411 HydrophobicContact CE2-CG2 3.88Å; F5-I411 HydrophobicContact CG-CD1 4.03Å; Y400-I411 HydrophobicContact CD1-CG2 3.87Å; Y400-I411 HydrophobicContact CG-CG2 4.14Å; I402-I411 HydrophobicContact CD1-CD1 4.46Å; I402-I411 HydrophobicContact CD1-CG1 4.34Å; I402-I411 HydrophobicContact CG1-CG1 4.15Å; I402-I411 HydrophobicContact CG1-CG2 4.25Å; I402-I411 HydrophobicContact CG2-CG1 4.28Å; I411-I420 HydrophobicContact CG2-CB 4.46Å; I411-I420 WeakPolarHBondContact O-CA 3.27Å; I411-I420 WeakPolarHBondContact O-CB 3.48Å; I411-I420 PolarHBondContact O-N 3.01Å; I411-Q421 HydrophobicContact CB-CB 4.46Å; I411-Q421 WeakPolarHBondContact CB-O 3.16Å; I411-Q421 PolarHBondContact N-O 2.96Å; I411-Q421 PolarHBondContact O-N 3.19Å; I411-L423 HydrophobicContact CD1-CD1 3.86Å; I411-L423 HydrophobicContact CD1-CG 4.05Å
412R89.5Confident84.7Confident29 Ų2930 Ų3011%0.10916%0.156CC..EExtended strand (participates in β ladder)trans-124.4160.4179.5-48.918075.7124.1-14.6110.7K386 W387 Y400 I401 E410 N417 K418 L419K386-R412 PolarHBondContact O-NH1 3.34Å; K386-R412 PolarHBondContact O-NH2 2.95Å; W387-R412 HydrophobicContact CE3-CG 4.48Å; W387-R412 HydrophobicContact CZ3-CG 4.05Å; Y400-R412 CarbonylContact C-O 3.4Å; Y400-R412 VanDerWaalsContact CA-O 3.26Å; Y400-R412 WeakPolarHBondContact CA-O 3.32Å; I401-R412 HydrophobicContact CG2-CB 4.02Å; I401-R412 PolarHBondContact N-O 3.12Å; I401-R412 PolarHBondContact O-N 3.49Å; E410-R412 HydrophobicContact CG-CG 3.94Å; E410-R412 WeakPolarHBondContact OE1-CD 3.15Å; E410-R412 IonicContact OE1-CZ 2.6Å; E410-R412 IonicContact OE1-NE 2.78Å; E410-R412 IonicContact OE1-NH1 3.3Å; E410-R412 PolarHBondContact OE1-NH1 2.85Å; R412-N417 PolarHBondContact NE-OD1 2.86Å; R412-N417 PolarHBondContact NH2-OD1 3.29Å; R412-N417 VanDerWaalsContact NH2-OD1 3.16Å; R412-K418 CarbonylContact C-O 3.55Å; R412-K418 VanDerWaalsContact CA-O 3.23Å; R412-K418 WeakPolarHBondContact CA-O 3.48Å; R412-L419 HydrophobicContact CG-CD1 4.17Å
413T83.7Confident84.7Confident1 Ų130.3 Ų30.31%0.00616%0.157CC..EExtended strand (participates in β ladder)trans-95.8156.7160.344.90000110.6Y400 P416 N417 K418 I420 L510Y400-T413 HydrophobicContact CD1-CG2 3.94Å; Y400-T413 HydrophobicContact CE1-CG2 4.21Å; T413-P416 CarbonylContact C-O 3.44Å; T413-P416 WeakPolarHBondContact CB-O 3.19Å; T413-P416 PolarHBondContact OG1-O 2.86Å; T413-N417 WeakPolarHBondContact O-CA 3.48Å; T413-K418 PolarHBondContact N-O 2.91Å; T413-I420 HydrophobicContact CG2-CD1 4Å; T413-I420 HydrophobicContact CG2-CG1 4Å; T413-L510 HydrophobicContact CG2-CD1 3.83Å
414L73.7Confident84.7Confident5 Ų534.7 Ų34.73%0.02619%0.193CC..THydrogen-bonded Turntrans-81.5-53.2178.5-76.4158.9000112.2L289 C292 F383 I385 I401 P416 N417L289-L414 HydrophobicContact CD2-CD1 3.91Å; L289-L414 HydrophobicContact CD2-CD2 4.35Å; C292-L414 HydrophobicContact CB-CD1 3.45Å; C292-L414 VanDerWaalsContact CB-CD1 3.45Å; C292-L414 VanDerWaalsContact SG-CD1 3.5Å; F383-L414 HydrophobicContact CE2-CD2 4.01Å; F383-L414 HydrophobicContact CZ-CB 4.41Å; F383-L414 HydrophobicContact CZ-CD2 3.88Å; I385-L414 HydrophobicContact CD1-CD2 3.34Å; I385-L414 HydrophobicContact CG1-CD2 4.35Å; I401-L414 HydrophobicContact CB-CG 4.41Å; I401-L414 HydrophobicContact CD1-CD2 4.18Å; I401-L414 HydrophobicContact CG2-CD2 4.33Å; I401-L414 HydrophobicContact CG2-CG 4.22Å; L414-P416 CarbonylContact C-O 3.11Å; L414-P416 CarbonylContact O-C 3.49Å; L414-N417 WeakPolarHBondContact O-CA 3.31Å; L414-N417 PolarHBondContact O-N 2.91Å
415N69.9Low84.5Confident57 Ų5734.7 Ų34.731%0.30519%0.193SC..THydrogen-bonded Turntrans-129.7113.8175.3-80.2-29.3000109.2C513N415-C513 PolarHBondContact O-SG 2.96Å
416P71.3Confident84.5Confident38 Ų3836.4 Ų36.425%0.24720%0.204CC..THydrogen-bonded Turncis-64.6152.2-9.829.2-35.6000112.2T413 L414 K418T413-P416 CarbonylContact C-O 3.44Å; T413-P416 WeakPolarHBondContact CB-O 3.19Å; T413-P416 PolarHBondContact OG1-O 2.86Å; L414-P416 CarbonylContact C-O 3.11Å; L414-P416 CarbonylContact O-C 3.49Å; P416-K418 VanDerWaalsContact C-N 3.33Å; P416-K418 PolarHBondContact O-N 3.48Å
417N78.5Confident84.6Confident66 Ų6637.4 Ų37.435%0.35320%0.202SC..THydrogen-bonded Turntrans-73.784.7174.5-179.8-8000109.9Q384 R412 T413 L414Q384-N417 PolarHBondContact O-ND2 2.85Å; R412-N417 PolarHBondContact NE-OD1 2.86Å; R412-N417 PolarHBondContact NH2-OD1 3.29Å; R412-N417 VanDerWaalsContact NH2-OD1 3.16Å; T413-N417 WeakPolarHBondContact O-CA 3.48Å; L414-N417 WeakPolarHBondContact O-CA 3.31Å; L414-N417 PolarHBondContact O-N 2.91Å
418K82.8Confident84.8Confident69 Ų6932.8 Ų32.830%0.318%0.179SC..EExtended strand (participates in β ladder)trans-126.3133-172.7-161.3168.2-171.3179.70111.2Y2 R412 T413 P416 I420 E507 L510Y2-K418 WeakPolarHBondContact OH-CE 3.44Å; Y2-K418 PolarHBondContact OH-NZ 2.77Å; R412-K418 CarbonylContact C-O 3.55Å; R412-K418 VanDerWaalsContact CA-O 3.23Å; R412-K418 WeakPolarHBondContact CA-O 3.48Å; T413-K418 PolarHBondContact N-O 2.91Å; P416-K418 VanDerWaalsContact C-N 3.33Å; P416-K418 PolarHBondContact O-N 3.48Å; K418-I420 HydrophobicContact CB-CD1 4.4Å; K418-I420 PolarHBondContact O-N 2.86Å; K418-E507 IonicContact NZ-OE1 2.7Å; K418-E507 PolarHBondContact NZ-OE1 3.5Å; K418-E507 IonicContact NZ-OE2 3.52Å; K418-E507 PolarHBondContact NZ-OE2 2.78Å; K418-L510 HydrophobicContact CD-CD2 4.41Å
419L87.8Confident84.7Confident51 Ų5133.8 Ų33.827%0.26719%0.185SC..EExtended strand (participates in β ladder)trans-71.5111.2171.6177.157.2000109.3M1 E410 R412 Q422M1-L419 HydrophobicContact CE-CD2 4.12Å; E410-L419 HydrophobicContact CG-CD1 3.53Å; R412-L419 HydrophobicContact CG-CD1 4.17Å; L419-Q422 HydrophobicContact CD1-CG 4.26Å
420I86.7Confident84.5Confident0 Ų034.3 Ų34.30%019%0.189CC..EExtended strand (participates in β ladder)trans-84.6-57.7-177.4-54.9-56.6000109.5M1 Y2 A4 Y400 I411 T413 K418 F498 L510M1-I420 CarbonylContact C-O 3.58Å; M1-I420 WeakPolarHBondContact CA-O 3.22Å; M1-I420 WeakPolarHBondContact CB-O 3.37Å; Y2-I420 HydrophobicContact CD2-CB 4.41Å; Y2-I420 HydrophobicContact CD2-CD1 4.36Å; Y2-I420 HydrophobicContact CD2-CG2 3.93Å; Y2-I420 WeakPolarHBondContact CD2-O 3.32Å; Y2-I420 HydrophobicContact CE2-CD1 4.43Å; Y2-I420 PolarHBondContact N-O 2.75Å; A4-I420 HydrophobicContact CB-CG2 3.48Å; A4-I420 VanDerWaalsContact CB-CG2 3.48Å; Y400-I420 HydrophobicContact CD1-CG1 4.17Å; Y400-I420 HydrophobicContact CE1-CG1 4.15Å; Y400-I420 HydrophobicContact CE1-CG2 4.22Å; I411-I420 HydrophobicContact CG2-CB 4.46Å; I411-I420 WeakPolarHBondContact O-CA 3.27Å; I411-I420 WeakPolarHBondContact O-CB 3.48Å; I411-I420 PolarHBondContact O-N 3.01Å; T413-I420 HydrophobicContact CG2-CD1 4Å; T413-I420 HydrophobicContact CG2-CG1 4Å; K418-I420 HydrophobicContact CB-CD1 4.4Å; K418-I420 PolarHBondContact O-N 2.86Å; I420-F498 HydrophobicContact CG2-CZ 4.5Å; I420-L510 HydrophobicContact CD1-CD1 4.05Å; I420-L510 HydrophobicContact CD1-CD2 3.73Å
421Q90.2Very high84.5Confident25 Ų2534.8 Ų34.812%0.11719%0.191CC..EExtended strand (participates in β ladder)trans-154.5146.9-170.4-165.2173.21.400110.4Y2 F5 I411 L423Y2-Q421 WeakPolarHBondContact O-CB 3.47Å; Y2-Q421 VanDerWaalsContact O-CG 3.32Å; Y2-Q421 WeakPolarHBondContact O-CG 3.45Å; Y2-Q421 PolarHBondContact O-OE1 2.8Å; F5-Q421 PolarHBondContact O-NE2 3.31Å; F5-Q421 PolarHBondContact O-OE1 3.18Å; I411-Q421 HydrophobicContact CB-CB 4.46Å; I411-Q421 WeakPolarHBondContact CB-O 3.16Å; I411-Q421 PolarHBondContact N-O 2.96Å; I411-Q421 PolarHBondContact O-N 3.19Å; Q421-L423 HydrophobicContact CG-CD2 4Å; Q421-L423 VanDerWaalsContact NE2-CD2 3.31Å
422Q90.3Very high84.4Confident62 Ų6235.3 Ų35.329%0.2920%0.195SC..EExtended strand (participates in β ladder)trans-111.2130.7161.6-73.6172.6-18.300108.5M1 L409 E410 L419M1-Q422 HydrophobicContact CE-CB 4.01Å; M1-Q422 HydrophobicContact CE-CG 3.88Å; M1-Q422 HydrophobicContact SD-CB 4.29Å; L409-Q422 CarbonylContact O-C 3.56Å; L409-Q422 VanDerWaalsContact O-CA 3.27Å; L409-Q422 WeakPolarHBondContact O-CA 3.47Å; E410-Q422 HydrophobicContact CB-CG 4.39Å; E410-Q422 HydrophobicContact CG-CG 4.34Å; E410-Q422 PolarHBondContact OE2-NE2 3.39Å; L419-Q422 HydrophobicContact CD1-CG 4.26Å
423L90Very high84.3Confident7 Ų737.9 Ų37.94%0.03721%0.205CC..EExtended strand (participates in β ladder)trans-103.1129.9174.5-55.2178.8000109.1F5 P7 T408 L409 I411 Q421 I425 I490F5-L423 HydrophobicContact CB-CD1 4.44Å; P7-L423 HydrophobicContact CG-CD2 4.39Å; T408-L423 CarbonylContact C-O 3.58Å; T408-L423 VanDerWaalsContact CA-O 3.29Å; T408-L423 WeakPolarHBondContact CA-O 3.47Å; L409-L423 HydrophobicContact CB-CB 4.22Å; L409-L423 HydrophobicContact CD1-CD1 4.39Å; L409-L423 PolarHBondContact N-O 3.26Å; L409-L423 PolarHBondContact O-N 2.81Å; I411-L423 HydrophobicContact CD1-CD1 3.86Å; I411-L423 HydrophobicContact CD1-CG 4.05Å; Q421-L423 HydrophobicContact CG-CD2 4Å; Q421-L423 VanDerWaalsContact NE2-CD2 3.31Å; L423-I425 HydrophobicContact CB-CG1 4.35Å; L423-I425 PolarHBondContact O-N 3.36Å; L423-I490 HydrophobicContact CD1-CD1 4.29Å; L423-I490 HydrophobicContact CD1-CG2 3.79Å
424A87Confident84.2Confident91 Ų9138.1 Ų38.175%0.75221%0.207SC*.  trans-77.745.3-18000000113.5
425I86Confident84.2Confident4 Ų443.4 Ų43.42%0.02123%0.23CC..  trans-89.7119168.8-48.5-174.1000107.5P7 L409 L423 V428 T443 W488 I490P7-I425 HydrophobicContact CB-CD1 3.83Å; P7-I425 HydrophobicContact CB-CG1 4.31Å; L409-I425 HydrophobicContact CD1-CB 4.17Å; L409-I425 HydrophobicContact CD1-CD1 3.88Å; L409-I425 HydrophobicContact CD1-CG1 4.27Å; L409-I425 HydrophobicContact CG-CB 4.33Å; L423-I425 HydrophobicContact CB-CG1 4.35Å; L423-I425 PolarHBondContact O-N 3.36Å; I425-V428 HydrophobicContact CB-CG2 4.12Å; I425-V428 HydrophobicContact CG2-CG2 3.51Å; I425-T443 HydrophobicContact CG2-CG2 3.49Å; I425-T443 VanDerWaalsContact CG2-CG2 3.49Å; I425-W488 HydrophobicContact CD1-CB 4.27Å; I425-W488 HydrophobicContact CD1-CD2 4.12Å; I425-W488 HydrophobicContact CD1-CE3 4.3Å; I425-W488 HydrophobicContact CD1-CG 4.13Å; I425-I490 HydrophobicContact CD1-CD1 3.95Å; I425-I490 HydrophobicContact CD1-CG1 4.26Å
426T84.4Confident84.4Confident43 Ų4341.1 Ų41.126%0.26422%0.218SC..  trans-92.9151.2-178.963.50000111.4D406 V428 T443D406-T426 WeakPolarHBondContact O-CA 3.43Å; T426-V428 PolarHBondContact O-N 2.84Å; T426-T443 VanDerWaalsContact O-CG2 3.27Å; T426-T443 WeakPolarHBondContact O-CG2 3.32Å
427R82.6Confident84.8Confident87 Ų8739.4 Ų39.433%0.32821%0.207SC..SBendtrans54.344.8167.6-53.6156.2-69.1136.27.6114D406 T429 T443 A444 P445D406-R427 PolarHBondContact O-N 3.45Å; R427-T429 PolarHBondContact O-N 2.94Å; R427-T443 WeakPolarHBondContact O-CA 3.42Å; R427-A444 HydrophobicContact CB-CB 4.12Å; R427-A444 PolarHBondContact NH1-O 2.41Å; R427-A444 PolarHBondContact O-N 2.91Å; R427-P445 PolarHBondContact NH1-O 3.33Å
428V87Confident85.1Confident18 Ų1836.3 Ų36.311%0.10919%0.19CC..EExtended strand (participates in β ladder)trans-69125.8178.2172.70000110.2T404 L409 I425 T426 M431 A441 S442 T443T404-V428 HydrophobicContact CG2-CG1 4.21Å; L409-V428 HydrophobicContact CD1-CG2 4.41Å; L409-V428 HydrophobicContact CD2-CB 4.19Å; L409-V428 HydrophobicContact CD2-CG1 4.38Å; L409-V428 HydrophobicContact CD2-CG2 3.9Å; L409-V428 HydrophobicContact CG-CG2 4.27Å; I425-V428 HydrophobicContact CB-CG2 4.12Å; I425-V428 HydrophobicContact CG2-CG2 3.51Å; T426-V428 PolarHBondContact O-N 2.84Å; V428-M431 HydrophobicContact CG1-CG 3.61Å; V428-M431 HydrophobicContact CG1-SD 4.16Å; V428-A441 HydrophobicContact CG1-CB 4.1Å; V428-A441 HydrophobicContact CG2-CB 4.48Å; V428-S442 CarbonylContact C-O 3.57Å; V428-S442 VanDerWaalsContact CA-O 3.3Å; V428-S442 WeakPolarHBondContact CA-O 3.35Å; V428-T443 HydrophobicContact CG2-CG2 4.15Å
429T85.6Confident85.4Confident57 Ų5733.2 Ų33.235%0.3518%0.177SC..EExtended strand (participates in β ladder)trans-98.1-32.9-175.8560000113.7R427 S442 A444R427-T429 PolarHBondContact O-N 2.94Å; T429-S442 PolarHBondContact N-O 2.84Å; T429-S442 PolarHBondContact OG1-O 2.86Å; T429-S442 PolarHBondContact OG1-OG 3.05Å; T429-A444 HydrophobicContact CG2-CB 3.68Å
430A86.6Confident85.5Confident10 Ų1030.8 Ų30.88%0.08316%0.164CC..EExtended strand (participates in β ladder)trans-155.7155178.300000109.6L21 A441 S442L21-A430 HydrophobicContact CB-CB 4.43Å; L21-A430 HydrophobicContact CD1-CB 4.38Å; L21-A430 HydrophobicContact CG-CB 4.09Å; A430-A441 WeakPolarHBondContact O-CA 3.24Å; A430-S442 PolarHBondContact N-OG 3.37Å; A430-S442 PolarHBondContact O-N 3.47Å; A430-S442 PolarHBondContact O-OG 3.25Å
431M90.5Very high85.7Confident10 Ų1030.8 Ų30.85%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-138.4154.3172-42.4-177.983.600109.5H395 I402 T404 L409 V428 F439 Y440 A441 I490H395-M431 HydrophobicContact CB-SD 4.43Å; H395-M431 VanDerWaalsContact CD2-SD 3.5Å; H395-M431 PolarHBondContact CE1-O 3.34Å; H395-M431 VanDerWaalsContact CE1-O 3.24Å; H395-M431 WeakPolarHBondContact NE2-CB 3.42Å; I402-M431 HydrophobicContact CG2-SD 4.44Å; T404-M431 HydrophobicContact CG2-CG 4.41Å; T404-M431 HydrophobicContact CG2-SD 3.63Å; L409-M431 HydrophobicContact CD1-CE 3.53Å; L409-M431 HydrophobicContact CD2-CE 4Å; L409-M431 HydrophobicContact CD2-SD 4.1Å; L409-M431 HydrophobicContact CG-CE 4.4Å; V428-M431 HydrophobicContact CG1-CG 3.61Å; V428-M431 HydrophobicContact CG1-SD 4.16Å; M431-F439 HydrophobicContact CB-CE2 4.12Å; M431-F439 HydrophobicContact CE-CE1 4.18Å; M431-F439 HydrophobicContact CE-CE2 3.78Å; M431-F439 HydrophobicContact CE-CZ 3.33Å; M431-F439 HydrophobicContact SD-CE2 4.43Å; M431-F439 HydrophobicContact SD-CZ 4.22Å; M431-Y440 WeakPolarHBondContact CA-O 3.49Å; M431-Y440 VanDerWaalsContact CB-O 3.28Å; M431-Y440 WeakPolarHBondContact CB-O 3.36Å; M431-A441 HydrophobicContact CE-CB 3.76Å; M431-A441 HydrophobicContact CG-CB 4.18Å; M431-I490 HydrophobicContact CE-CD1 3.86Å
432C88.6Confident85.7Confident12 Ų1229.6 Ų29.68%0.08116%0.159CC..EExtended strand (participates in β ladder)trans-152.8155.2172.364.70000111.3L21 Y440L21-C432 HydrophobicContact CB-CB 4.2Å; L21-C432 VanDerWaalsContact CB-SG 3.6Å; C432-Y440 PolarHBondContact N-O 2.95Å; C432-Y440 VanDerWaalsContact N-O 3.13Å; C432-Y440 PolarHBondContact O-N 3.3Å
433Y86.9Confident85.5Confident82 Ų8226.7 Ų26.732%0.32215%0.146SC..EExtended strand (participates in β ladder)trans-137154.7177.371.3-85.4000112I396 F397 W438 Y520I396-Y433 WeakPolarHBondContact O-CE1 3.11Å; F397-Y433 AromaticContact CD2-CD2 3.85Å; F397-Y433 HydrophobicContact CD2-CD2 3.85Å; F397-Y433 AromaticContact CD2-CG 3.8Å; F397-Y433 HydrophobicContact CD2-CG 3.8Å; F397-Y433 HydrophobicContact CE2-CD2 4.19Å; F397-Y433 HydrophobicContact CE2-CG 4.34Å; Y433-W438 CarbonylContact C-O 3.6Å; Y433-W438 WeakPolarHBondContact CA-O 3.33Å; Y433-W438 WeakPolarHBondContact CB-O 3.41Å; Y433-Y520 HydrophobicContact CE2-CD1 4.21Å
434S82Confident85Confident6 Ų627.6 Ų27.64%0.04215%0.154CC..  trans-112.8156.9174.590.20000111.2D25 C436 G437 W438D25-S434 PolarHBondContact O-OG 3.35Å; S434-C436 PolarHBondContact O-N 3.46Å; S434-C436 VanDerWaalsContact O-N 3.08Å; S434-G437 PolarHBondContact O-N 2.87Å; S434-W438 PolarHBondContact N-O 2.68Å
435K73.6Confident84.3Confident117 Ų11726.1 Ų26.151%0.50914%0.137SC..THydrogen-bonded Turntrans-62.1-17.5-178-65.6179179177.40113.8E110 G437 Y520E110-K435 IonicContact OE1-NZ 2.81Å; E110-K435 PolarHBondContact OE1-NZ 2.87Å; K435-G437 VanDerWaalsContact C-N 3.29Å; K435-Y520 HydrophobicContact CG-CD1 4.2Å; K435-Y520 HydrophobicContact CG-CE1 4.35Å
436C74.8Confident83.2Confident9 Ų927.8 Ų27.86%0.06115%0.151CC..THydrogen-bonded Turntrans-77.6-4.8173.8-80.30000114.3P55 C59 S434 G522P55-C436 WeakPolarHBondContact CB-O 3.19Å; C59-C436 WeakPolarHBondContact CA-SG 3.32Å; C59-C436 WeakPolarHBondContact CB-SG 3.44Å; C59-C436 PolarHBondContact N-SG 2.89Å; C59-C436 WeakPolarHBondContact SG-CB 3.43Å; C59-C436 PolarHBondContact SG-N 3Å; C59-C436 CovalentContact SG-SG 2.04Å; C59-C436 PolarHBondContact SG-SG 3.34Å; S434-C436 PolarHBondContact O-N 3.46Å; S434-C436 VanDerWaalsContact O-N 3.08Å; C436-G522 VanDerWaalsContact O-CA 3.32Å; C436-G522 WeakPolarHBondContact O-CA 3.43Å
437G79.5Confident81.7Confident2 Ų230.7 Ų30.72%0.02117%0.173CC..SBendtrans947.1-178.700000115.3P55 S434 K435 Y520P55-G437 WeakPolarHBondContact CG-O 3.21Å; S434-G437 PolarHBondContact O-N 2.87Å; K435-G437 VanDerWaalsContact C-N 3.29Å; G437-Y520 VanDerWaalsContact CA-O 3.29Å; G437-Y520 WeakPolarHBondContact CA-O 3.46Å; G437-Y520 PolarHBondContact N-O 2.88Å
438W84.3Confident79.3Confident0 Ų032.6 Ų32.60%019%0.194CC..  trans-71.7135.4167.5-65.894.9000110.1D25 N26 L42 P55 N56 F87 Y433 S434 Y440 V489D25-W438 PolarHBondContact O-NE1 3.31Å; N26-W438 HydrophobicContact CB-CZ2 4.12Å; L42-W438 HydrophobicContact CB-CH2 3.96Å; L42-W438 HydrophobicContact CB-CZ3 4.22Å; L42-W438 HydrophobicContact CD1-CZ3 4.4Å; P55-W438 HydrophobicContact CB-CD2 3.81Å; P55-W438 HydrophobicContact CB-CG 3.78Å; P55-W438 HydrophobicContact CB-CZ2 4.29Å; P55-W438 HydrophobicContact CG-CD2 3.94Å; P55-W438 HydrophobicContact CG-CE3 4.37Å; P55-W438 HydrophobicContact CG-CG 3.97Å; N56-W438 PolarHBondContact O-NE1 2.85Å; F87-W438 AromaticContact CD1-CH2 3.73Å; F87-W438 HydrophobicContact CD1-CH2 3.73Å; F87-W438 AromaticContact CD1-CZ3 3.86Å; F87-W438 HydrophobicContact CD1-CZ3 3.86Å; F87-W438 AromaticContact CE1-CH2 3.48Å; F87-W438 HydrophobicContact CE1-CH2 3.48Å; F87-W438 VanDerWaalsContact CE1-CH2 3.48Å; F87-W438 AromaticContact CE1-CZ3 3.51Å; F87-W438 HydrophobicContact CE1-CZ3 3.51Å; F87-W438 HydrophobicContact CZ-CZ3 4.24Å; Y433-W438 CarbonylContact C-O 3.6Å; Y433-W438 WeakPolarHBondContact CA-O 3.33Å; Y433-W438 WeakPolarHBondContact CB-O 3.41Å; S434-W438 PolarHBondContact N-O 2.68Å; W438-Y440 HydrophobicContact CB-CE2 3.61Å; W438-Y440 HydrophobicContact CE3-CE1 4.46Å; W438-Y440 VanDerWaalsContact CE3-OH 3.3Å; W438-Y440 HydrophobicContact CG-CE2 4.47Å; W438-V489 HydrophobicContact CE3-CG2 4.47Å
439F88.7Confident76.7Confident4 Ų436.9 Ų36.92%0.01822%0.221CC..EExtended strand (participates in β ladder)trans-140.4134.8178.4176.7-141.8000109.7F5 F397 I402 M431 V489 I490F5-F439 HydrophobicContact CE1-CD1 4.47Å; F397-F439 HydrophobicContact CE2-CB 4.3Å; I402-F439 HydrophobicContact CD1-CE1 3.46Å; I402-F439 VanDerWaalsContact CD1-CE1 3.46Å; I402-F439 HydrophobicContact CD1-CZ 3.45Å; I402-F439 VanDerWaalsContact CD1-CZ 3.45Å; M431-F439 HydrophobicContact CB-CE2 4.12Å; M431-F439 HydrophobicContact CE-CE1 4.18Å; M431-F439 HydrophobicContact CE-CE2 3.78Å; M431-F439 HydrophobicContact CE-CZ 3.33Å; M431-F439 HydrophobicContact SD-CE2 4.43Å; M431-F439 HydrophobicContact SD-CZ 4.22Å; F439-V489 WeakPolarHBondContact O-CA 3.48Å; F439-I490 HydrophobicContact CD1-CB 3.61Å; F439-I490 HydrophobicContact CD1-CD1 4.24Å; F439-I490 HydrophobicContact CD1-CG1 4.46Å; F439-I490 HydrophobicContact CD1-CG2 3.78Å; F439-I490 HydrophobicContact CE1-CB 4.06Å; F439-I490 HydrophobicContact CE1-CD1 3.88Å; F439-I490 HydrophobicContact CE1-CG2 3.98Å; F439-I490 HydrophobicContact CG-CB 4.32Å; F439-I490 HydrophobicContact CZ-CD1 4.33Å; F439-I490 PolarHBondContact O-N 3.29Å
440Y91Very high73.8Confident0 Ų041.8 Ų41.80%025%0.245CC..EExtended strand (participates in β ladder)trans-133.9152-168.1-56.8-87.6000112.3L10 C23 L28 L42 M431 C432 W438 W488 V489L10-Y440 HydrophobicContact CD1-CD1 4.32Å; L10-Y440 HydrophobicContact CD1-CE1 4.13Å; C23-Y440 HydrophobicContact CB-CD2 4.04Å; C23-Y440 HydrophobicContact CB-CE2 3.69Å; L28-Y440 HydrophobicContact CB-CE1 4.2Å; L28-Y440 HydrophobicContact CD1-CD1 4Å; L28-Y440 HydrophobicContact CD1-CD2 3.94Å; L28-Y440 HydrophobicContact CD1-CE1 4.35Å; L28-Y440 HydrophobicContact CD1-CE2 4.29Å; L28-Y440 HydrophobicContact CD1-CG 3.77Å; L28-Y440 HydrophobicContact CD2-CD1 3.81Å; L28-Y440 HydrophobicContact CD2-CE1 4.04Å; L28-Y440 HydrophobicContact CD2-CG 4.39Å; L28-Y440 HydrophobicContact CG-CD1 4.36Å; L28-Y440 HydrophobicContact CG-CE1 4.43Å; L42-Y440 HydrophobicContact CD1-CE1 3.48Å; L42-Y440 VanDerWaalsContact CD1-CE1 3.48Å; L42-Y440 WeakPolarHBondContact CD1-OH 3.35Å; M431-Y440 WeakPolarHBondContact CA-O 3.49Å; M431-Y440 VanDerWaalsContact CB-O 3.28Å; M431-Y440 WeakPolarHBondContact CB-O 3.36Å; C432-Y440 PolarHBondContact N-O 2.95Å; C432-Y440 VanDerWaalsContact N-O 3.13Å; C432-Y440 PolarHBondContact O-N 3.3Å; W438-Y440 HydrophobicContact CB-CE2 3.61Å; W438-Y440 HydrophobicContact CE3-CE1 4.46Å; W438-Y440 VanDerWaalsContact CE3-OH 3.3Å; W438-Y440 HydrophobicContact CG-CE2 4.47Å; Y440-W488 CarbonylContact C-O 3.41Å; Y440-W488 VanDerWaalsContact CA-O 3.25Å; Y440-W488 WeakPolarHBondContact CA-O 3.26Å; Y440-V489 HydrophobicContact CD1-CG2 3.45Å; Y440-V489 VanDerWaalsContact CD1-CG2 3.45Å; Y440-V489 HydrophobicContact CE1-CG2 3.29Å
441A90.9Very high71.3Confident0 Ų047.3 Ų47.30%028%0.278CS..EExtended strand (participates in β ladder)trans-141.4140.4170.800000111.6V428 A430 M431 W488 I490V428-A441 HydrophobicContact CG1-CB 4.1Å; V428-A441 HydrophobicContact CG2-CB 4.48Å; A430-A441 WeakPolarHBondContact O-CA 3.24Å; M431-A441 HydrophobicContact CE-CB 3.76Å; M431-A441 HydrophobicContact CG-CB 4.18Å; A441-W488 PolarHBondContact N-O 2.77Å; A441-W488 PolarHBondContact O-N 3.36Å; A441-I490 HydrophobicContact CB-CD1 4.09Å
442S89.6Confident68.2Low0 Ų054 Ų540%031%0.313CS..EExtended strand (participates in β ladder)trans-104.6146.8168.352.10000111.2V428 T429 A430 E486V428-S442 CarbonylContact C-O 3.57Å; V428-S442 VanDerWaalsContact CA-O 3.3Å; V428-S442 WeakPolarHBondContact CA-O 3.35Å; T429-S442 PolarHBondContact N-O 2.84Å; T429-S442 PolarHBondContact OG1-O 2.86Å; T429-S442 PolarHBondContact OG1-OG 3.05Å; A430-S442 PolarHBondContact N-OG 3.37Å; A430-S442 PolarHBondContact O-N 3.47Å; A430-S442 PolarHBondContact O-OG 3.25Å; S442-E486 WeakPolarHBondContact CA-O 3.39Å
443T87.1Confident65.5Low2 Ų263.5 Ų63.51%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-116.9147.5175.660.40000112.7I425 T426 R427 V428 E486I425-T443 HydrophobicContact CG2-CG2 3.49Å; I425-T443 VanDerWaalsContact CG2-CG2 3.49Å; T426-T443 VanDerWaalsContact O-CG2 3.27Å; T426-T443 WeakPolarHBondContact O-CG2 3.32Å; R427-T443 WeakPolarHBondContact O-CA 3.42Å; V428-T443 HydrophobicContact CG2-CG2 4.15Å; T443-E486 PolarHBondContact N-O 2.87Å; T443-E486 VanDerWaalsContact OG1-CB 3.3Å; T443-E486 WeakPolarHBondContact OG1-CB 3.49Å; T443-E486 PolarHBondContact OG1-N 2.8Å
444A79.3Confident62.5Low26 Ų2664.3 Ų64.322%0.21537%0.371CS..PPolyproline II helixtrans-72159.6171.700000111.8R427 T429R427-A444 HydrophobicContact CB-CB 4.12Å; R427-A444 PolarHBondContact NH1-O 2.41Å; R427-A444 PolarHBondContact O-N 2.91Å; T429-A444 HydrophobicContact CG2-CB 3.68Å
445P71.8Confident60.1Low60 Ų6070.9 Ų70.939%0.3941%0.411SS..PPolyproline II helixtrans-71.9172.3169.532.3-31.4000110.7R427 N483 N485R427-P445 PolarHBondContact NH1-O 3.33Å; P445-N483 WeakPolarHBondContact CA-O 3.45Å; P445-N483 WeakPolarHBondContact CB-O 3.48Å; P445-N485 WeakPolarHBondContact CD-OD1 3.34Å
446A61.8Low57.8Low39 Ų3972.2 Ų72.232%0.32242%0.423SS..PPolyproline II helixtrans-84.5131.4-179.200000111.2T448 N483A446-T448 PolarHBondContact O-N 2.88Å; A446-T448 VanDerWaalsContact O-N 3.15Å; A446-N483 PolarHBondContact N-O 3.41Å
447S53.7Low55.6Low104 Ų10476.3 Ų76.373%0.72745%0.452SS*.  trans-76.398.7178.350.70000111.3T449S447-T449 VanDerWaalsContact C-N 3.31Å; S447-T449 PolarHBondContact O-N 3.25Å
448T31.7Very low53.3Low126 Ų12685.4 Ų85.477%0.77349%0.492SS*.  trans-7675.6174.934.70000112.1A446A446-T448 PolarHBondContact O-N 2.88Å; A446-T448 VanDerWaalsContact O-N 3.15Å
449T32.3Very low50.5Low108 Ų10890.5 Ų90.566%0.66353%0.527SS*.  trans-124.7104.3174.8470000111.5S447 T451S447-T449 VanDerWaalsContact C-N 3.31Å; S447-T449 PolarHBondContact O-N 3.25Å; T449-T451 PolarHBondContact O-N 2.86Å
450N25.2Very low47.6Very low161 Ų16198 Ų9886%0.86157%0.567SS**  trans-72.5113.7167.3-75.7-19.8000109.9
451T33.2Very low44.5Very low126 Ų126105.3 Ų105.377%0.77360%0.602SS**  trans-137.7101.4158.249.40000109T449T449-T451 PolarHBondContact O-N 2.86Å
452L26.6Very low41.5Very low149 Ų149115 Ų11578%0.7865%0.647SS**  trans-67.1133.4161.7-63.780.6000107.6
453F30.9Very low38.4Very low213 Ų213122.8 Ų122.893%0.93468%0.681SS**  trans-152.7117.7136.6-90.7-62.5000109.1
454S25.3Very low35.4Very low98 Ų98129.4 Ų129.469%0.68572%0.721SS**  trans-80.2153.5174.3-430000110.6
455T31.2Very low32.8Very low144 Ų144134.1 Ų134.188%0.88374%0.743SS**  -162.6138.4114.525.90000109.8
456D25.4Very low30.6Very low145 Ų145137.4 Ų137.478%0.77576%0.761SS**  trans-74.4164178.8-46.4-98.7000112.3
457S28.1Very low29Very low95 Ų95140 Ų14066%0.66477%0.773SS**  167.7166104.552.60000114.2
458F30.8Very low27.7Very low194 Ų194143.6 Ų143.685%0.85178%0.779SS**  trans63.576.7167.7-59.3-66.8000119
459S25.9Very low27.6Very low107 Ų107143.2 Ų143.275%0.74878%0.781SS**  trans-49.6145.4138.155.90000112.7
460N27.6Very low27.4Very low160 Ų160144.6 Ų144.686%0.85678%0.783SS**  -146.1162.1127.1-137.4-20.1000112.2
461Q26.2Very low27.4Very low155 Ų155144 Ų14472%0.72478%0.78SS**  trans-99.4146.9-163.2-54.4173.913.900113
462Q27.6Very low27Very low203 Ų203144.4 Ų144.495%0.94978%0.777SS**  trans-146126.5133.7-111.217318.600109.8
463K24.2Very low26.9Very low163 Ų163141.7 Ų141.771%0.70978%0.776SS**  trans-92.6143176.1-68.7176.7179.2172.30109.8
464V25.4Very low26.9Very low142 Ų142137.2 Ų137.286%0.86177%0.772SS**  trans-130.6121.6143.5-178.70000107.2
465N23.5Very low27.1Very low125 Ų125137.7 Ų137.767%0.66878%0.775SS**  trans-102.7126.9177.7-69.3-0000109.4
466V27.2Very low26.8Very low129 Ų129137.8 Ų137.878%0.78277%0.768SS**  trans-140.883.2153.2-176.60000108.5
467T27.9Very low27.2Very low93 Ų93137 Ų13757%0.57177%0.768SS**  30.4118.5126.556.70000120
468E25.8Very low27.1Very low180 Ų180143.4 Ų143.484%0.84178%0.778SS**  68.6144.2120.1-65.8161.6-144.800119.3
469S29.9Very low27Very low118 Ų118136.8 Ų136.883%0.82576%0.764SS**  cis-139.7167.231.450.70000114.7
470I26.9Very low27.2Very low137 Ų137140.5 Ų140.570%0.70377%0.767SS**  trans-104.7141.3-173.3-66.1160000109.9
471N26.8Very low27.4Very low149 Ų149138 Ų13880%0.79776%0.762SS**  trans-162.1108.9138.8-102.2-39.6000114.3
472N24.4Very low28.3Very low133 Ų133133.4 Ų133.471%0.71174%0.742SS**  trans12.6135.4136.9-47.6-53.3000117.4
473A25.1Very low29.6Very low92 Ų92128.1 Ų128.176%0.7672%0.721SS**  cis-171.3132.444.300000113.2
474S29.9Very low31.5Very low120 Ų120121.3 Ų121.384%0.83970%0.696SS**SBendtrans-158.8132.4155.8-66.20000107.3I476S474-I476 PolarHBondContact O-N 2.8Å
475S29.7Very low34Very low107 Ų107115.1 Ų115.175%0.74866%0.658SS**  trans-55.1123.3-165.652.30000115.1V477S475-V477 PolarHBondContact O-N 3.5Å
476I25.7Very low37.1Very low146 Ų146109.7 Ų109.775%0.74963%0.629SS**  trans-68.3100.7166.6-62.5169.7000108.8S474 R478S474-I476 PolarHBondContact O-N 2.8Å; I476-R478 VanDerWaalsContact C-N 3.26Å; I476-R478 HydrophobicContact CG2-CB 4.46Å; I476-R478 HydrophobicContact CG2-CG 3.86Å; I476-R478 PolarHBondContact O-N 3.18Å
477V32.5Very low40.1Very low128 Ų128103.6 Ų103.678%0.77659%0.592SS**  trans-79.477.1172.3-173.70000109.5S475 G479S475-V477 PolarHBondContact O-N 3.5Å; V477-G479 PolarHBondContact O-N 2.88Å
478R25.5Very low43Very low231 Ų231101 Ų10187%0.87257%0.572SS**  trans-72.268.5162.3-88.5178178.3-172.70109.5I476I476-R478 VanDerWaalsContact C-N 3.26Å; I476-R478 HydrophobicContact CG2-CB 4.46Å; I476-R478 HydrophobicContact CG2-CG 3.86Å; I476-R478 PolarHBondContact O-N 3.18Å
479G29Very low46.1Very low54 Ų5492.4 Ų92.456%0.55753%0.532SS*.  trans-66.4138.7172.400000111.2V477V477-G479 PolarHBondContact O-N 2.88Å
480K30.9Very low49Very low185 Ų18586.9 Ų86.980%0.80449%0.493SS*.  trans-81.1121.4-175.4-62.2172.6-178.4175.20110.8N482K480-N482 PolarHBondContact O-N 2.89Å; K480-N482 PolarHBondContact O-OD1 3.47Å
481S31.7Very low51.9Low108 Ų10880.4 Ų80.476%0.75546%0.46SS*.  trans43.259.5153.662.60000117.5
482N45.5Very low54.7Low59 Ų5973.8 Ų73.832%0.31643%0.425SS..  trans-83.6116.8165-72.360.4000109.5D13 K480D13-N482 PolarHBondContact OD2-ND2 3.24Å; K480-N482 PolarHBondContact O-N 2.89Å; K480-N482 PolarHBondContact O-OD1 3.47Å
483N53.7Low57.6Low92 Ų9267.8 Ų67.849%0.49239%0.394SS..  trans-101.9-9.4-176.9-83.5-4.9000113.9P445 A446P445-N483 WeakPolarHBondContact CA-O 3.45Å; P445-N483 WeakPolarHBondContact CB-O 3.48Å; A446-N483 PolarHBondContact N-O 3.41Å
484G64.5Low60.4Low19 Ų1964.8 Ų64.820%0.19637%0.368CS..SBendtrans-86-175.3-176.500000115.1D13D13-G484 PolarHBondContact OD1-N 3.31Å
485N79Confident62.9Low12 Ų1259.9 Ų59.96%0.06433%0.331CS..EExtended strand (participates in β ladder)trans-79.5142.6176.9-50-87.7000110.2D13 Y14 Y16 P17 L18 P445D13-N485 PolarHBondContact N-O 3.21Å; D13-N485 VanDerWaalsContact N-O 3.15Å; Y14-N485 PolarHBondContact N-O 2.88Å; Y14-N485 PolarHBondContact O-ND2 3.04Å; Y16-N485 PolarHBondContact O-ND2 3.38Å; P17-N485 WeakPolarHBondContact CA-OD1 3.49Å; L18-N485 HydrophobicContact CG-CB 4.36Å; P445-N485 WeakPolarHBondContact CD-OD1 3.34Å
486E87.5Confident65.5Low11 Ų1157.1 Ų57.15%0.05131%0.307CS..EExtended strand (participates in β ladder)trans-125.9151.6179.4-42.1-173.2142.300111.6R9 L11 S442 T443 W488R9-E486 HydrophobicContact CG-CB 4.43Å; R9-E486 IonicContact CZ-OE1 2.74Å; R9-E486 IonicContact CZ-OE2 3.21Å; R9-E486 IonicContact NE-OE1 3.53Å; R9-E486 PolarHBondContact NE-OE1 3.32Å; R9-E486 IonicContact NE-OE2 2.73Å; R9-E486 PolarHBondContact NE-OE2 2.8Å; R9-E486 IonicContact NH1-OE1 3.53Å; R9-E486 PolarHBondContact NH1-OE1 2.66Å; R9-E486 IonicContact NH2-OE1 3.52Å; R9-E486 PolarHBondContact NH2-OE1 3.16Å; R9-E486 IonicContact NH2-OE2 3.88Å; R9-E486 PolarHBondContact NH2-OE2 2.83Å; L11-E486 VanDerWaalsContact O-CA 3.31Å; L11-E486 WeakPolarHBondContact O-CA 3.47Å; S442-E486 WeakPolarHBondContact CA-O 3.39Å; T443-E486 PolarHBondContact N-O 2.87Å; T443-E486 VanDerWaalsContact OG1-CB 3.3Å; T443-E486 WeakPolarHBondContact OG1-CB 3.49Å; T443-E486 PolarHBondContact OG1-N 2.8Å; E486-W488 VanDerWaalsContact OE2-CZ2 3.29Å; E486-W488 WeakPolarHBondContact OE2-CZ2 3.29Å; E486-W488 PolarHBondContact OE2-NE1 3.35Å
487I89.3Confident68.2Low1 Ų153.9 Ų53.91%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-119.3132.5168.7-59.3-167.5000108.7L10 L11 L18 L28 V30L10-I487 HydrophobicContact CB-CG2 4.5Å; L10-I487 HydrophobicContact CD1-CG2 4.34Å; L10-I487 PolarHBondContact N-O 2.69Å; L11-I487 HydrophobicContact CB-CB 4.25Å; L11-I487 HydrophobicContact CD1-CD1 4.05Å; L11-I487 HydrophobicContact CD1-CG1 4.39Å; L11-I487 PolarHBondContact N-O 2.93Å; L11-I487 PolarHBondContact O-N 3.12Å; L18-I487 HydrophobicContact CD1-CD1 3.66Å; L18-I487 HydrophobicContact CD1-CG1 3.46Å; L18-I487 VanDerWaalsContact CD1-CG1 3.46Å; L28-I487 HydrophobicContact CD2-CD1 4.3Å; L28-I487 HydrophobicContact CD2-CG2 3.72Å; V30-I487 HydrophobicContact CG1-CD1 4.34Å; V30-I487 HydrophobicContact CG2-CD1 3.92Å
488W90.8Very high70.7Confident39 Ų3948.4 Ų48.415%0.14825%0.254CS..EExtended strand (participates in β ladder)trans-117.7141-179.5-62.477.9000110.6P7 I8 R9 I425 Y440 A441 E486P7-W488 HydrophobicContact CB-CE3 3.92Å; P7-W488 HydrophobicContact CB-CZ3 4.18Å; I8-W488 CarbonylContact O-C 3.44Å; I8-W488 WeakPolarHBondContact O-CA 3.23Å; R9-W488 HydrophobicContact CB-CD2 4.13Å; R9-W488 HydrophobicContact CB-CE3 3.97Å; R9-W488 HydrophobicContact CB-CH2 4.23Å; R9-W488 HydrophobicContact CB-CZ2 4.37Å; R9-W488 HydrophobicContact CB-CZ3 4.02Å; R9-W488 HydrophobicContact CG-CD2 4.43Å; R9-W488 HydrophobicContact CG-CZ2 4.46Å; I425-W488 HydrophobicContact CD1-CB 4.27Å; I425-W488 HydrophobicContact CD1-CD2 4.12Å; I425-W488 HydrophobicContact CD1-CE3 4.3Å; I425-W488 HydrophobicContact CD1-CG 4.13Å; Y440-W488 CarbonylContact C-O 3.41Å; Y440-W488 VanDerWaalsContact CA-O 3.25Å; Y440-W488 WeakPolarHBondContact CA-O 3.26Å; A441-W488 PolarHBondContact N-O 2.77Å; A441-W488 PolarHBondContact O-N 3.36Å; E486-W488 VanDerWaalsContact OE2-CZ2 3.29Å; E486-W488 WeakPolarHBondContact OE2-CZ2 3.29Å; E486-W488 PolarHBondContact OE2-NE1 3.35Å
489V89.5Confident73.6Confident0 Ų037.4 Ų37.40%021%0.212CC..EExtended strand (participates in β ladder)trans-96.7138.9158152.40000108I8 L10 F87 W438 F439 Y440 L491I8-V489 PolarHBondContact N-O 3.01Å; I8-V489 PolarHBondContact O-N 3.36Å; L10-V489 HydrophobicContact CD1-CB 4.39Å; L10-V489 HydrophobicContact CD1-CG2 3.47Å; L10-V489 VanDerWaalsContact CD1-CG2 3.47Å; L10-V489 HydrophobicContact CD2-CB 4.31Å; L10-V489 HydrophobicContact CD2-CG2 4.01Å; L10-V489 HydrophobicContact CG-CB 4.11Å; L10-V489 HydrophobicContact CG-CG2 3.72Å; F87-V489 HydrophobicContact CE2-CG1 4.48Å; W438-V489 HydrophobicContact CE3-CG2 4.47Å; F439-V489 WeakPolarHBondContact O-CA 3.48Å; Y440-V489 HydrophobicContact CD1-CG2 3.45Å; Y440-V489 VanDerWaalsContact CD1-CG2 3.45Å; Y440-V489 HydrophobicContact CE1-CG2 3.29Å; V489-L491 HydrophobicContact CG1-CD2 3.45Å; V489-L491 VanDerWaalsContact CG1-CD2 3.45Å; V489-L491 HydrophobicContact CG1-CG 3.75Å
490I90.3Very high76.3Confident1 Ų136 Ų361%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-119.193.4178.2-57.2174.1000106.9F5 P7 L409 L423 I425 M431 F439 A441F5-I490 HydrophobicContact CB-CG2 3.77Å; F5-I490 HydrophobicContact CD1-CG2 3.83Å; F5-I490 HydrophobicContact CG-CG2 4.08Å; P7-I490 HydrophobicContact CB-CG1 4.48Å; L409-I490 HydrophobicContact CD1-CD1 3.79Å; L423-I490 HydrophobicContact CD1-CD1 4.29Å; L423-I490 HydrophobicContact CD1-CG2 3.79Å; I425-I490 HydrophobicContact CD1-CD1 3.95Å; I425-I490 HydrophobicContact CD1-CG1 4.26Å; M431-I490 HydrophobicContact CE-CD1 3.86Å; F439-I490 HydrophobicContact CD1-CB 3.61Å; F439-I490 HydrophobicContact CD1-CD1 4.24Å; F439-I490 HydrophobicContact CD1-CG1 4.46Å; F439-I490 HydrophobicContact CD1-CG2 3.78Å; F439-I490 HydrophobicContact CE1-CB 4.06Å; F439-I490 HydrophobicContact CE1-CD1 3.88Å; F439-I490 HydrophobicContact CE1-CG2 3.98Å; F439-I490 HydrophobicContact CG-CB 4.32Å; F439-I490 HydrophobicContact CZ-CD1 4.33Å; F439-I490 PolarHBondContact O-N 3.29Å; A441-I490 HydrophobicContact CB-CD1 4.09Å
491L87.9Confident78.9Confident1 Ų129.7 Ų29.71%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-76.2145-179.8-61.1-178.4000110.6F5 V6 I8 P85 F87 V489F5-L491 CarbonylContact C-O 3.57Å; F5-L491 WeakPolarHBondContact CA-O 3.01Å; V6-L491 HydrophobicContact CG1-CB 3.91Å; V6-L491 PolarHBondContact N-O 3.02Å; V6-L491 PolarHBondContact O-N 3.48Å; I8-L491 HydrophobicContact CD1-CD1 3.63Å; I8-L491 HydrophobicContact CD1-CG 4.06Å; P85-L491 HydrophobicContact CB-CD1 4.36Å; P85-L491 HydrophobicContact CG-CD1 3.46Å; P85-L491 VanDerWaalsContact CG-CD1 3.46Å; F87-L491 HydrophobicContact CE2-CD1 4.14Å; F87-L491 HydrophobicContact CZ-CD1 3.9Å; F87-L491 HydrophobicContact CZ-CD2 3.95Å; F87-L491 HydrophobicContact CZ-CG 4.38Å; V489-L491 HydrophobicContact CG1-CD2 3.45Å; V489-L491 VanDerWaalsContact CG1-CD2 3.45Å; V489-L491 HydrophobicContact CG1-CG 3.75Å
492S86.6Confident81.5Confident10 Ų1024.6 Ų24.67%0.0713%0.13CC..EExtended strand (participates in β ladder)trans-80.7151.7170.1-1670000111.1A4 F53A4-S492 WeakPolarHBondContact O-CA 3.3Å; A4-S492 PolarHBondContact O-OG 3.19Å; F53-S492 PolarHBondContact N-O 3.46Å
493A85.2Confident83.5Confident8 Ų822.4 Ų22.47%0.06612%0.119CC..BIsolated β-bridgetrans-66.7158.9169.200000112.3S3 A4 E51 R495 Q523S3-A493 VanDerWaalsContact O-CB 3.26Å; S3-A493 WeakPolarHBondContact O-CB 3.2Å; A4-A493 PolarHBondContact O-N 3.05Å; E51-A493 WeakPolarHBondContact O-CA 3.47Å; A493-R495 PolarHBondContact O-N 2.8Å; A493-Q523 PolarHBondContact O-NE2 3.19Å; A493-Q523 PolarHBondContact O-OE1 3.13Å
494S83.6Confident85Confident29 Ų2923.9 Ų23.920%0.20312%0.123CC..  trans-59.7115.7171.8177.40000110.3E51 L496 K497 F498E51-S494 PolarHBondContact O-N 3.02Å; S494-L496 VanDerWaalsContact C-N 3.31Å; S494-L496 PolarHBondContact O-N 2.88Å; S494-K497 PolarHBondContact O-N 3.18Å; S494-F498 WeakPolarHBondContact O-CB 3.37Å; S494-F498 PolarHBondContact O-N 2.78Å
495R83.6Confident86Confident17 Ų1728.8 Ų28.86%0.06414%0.139CC..Hα-helixtrans-55-45.4-174.5171-179.5-78.6112.213.6111.3A493 F498 I499 L514 T517 S521 Q523 N524 V526A493-R495 PolarHBondContact O-N 2.8Å; R495-F498 PolarHBondContact O-N 3.16Å; R495-I499 HydrophobicContact CG-CD1 3.42Å; R495-I499 VanDerWaalsContact CG-CD1 3.42Å; R495-I499 HydrophobicContact CG-CG1 4.12Å; R495-I499 WeakPolarHBondContact O-CB 3.26Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.41Å; R495-I499 PolarHBondContact O-N 3.41Å; R495-L514 PolarHBondContact NE-O 2.87Å; R495-T517 PolarHBondContact NH2-O 2.99Å; R495-S521 PolarHBondContact NH1-OG 2.96Å; R495-S521 PolarHBondContact NH2-OG 2.99Å; R495-Q523 HydrophobicContact CB-CB 4.48Å; R495-Q523 VanDerWaalsContact NH1-C 3.3Å; R495-Q523 PolarHBondContact NH1-O 3.26Å; R495-N524 WeakPolarHBondContact CD-O 3.48Å; R495-N524 PolarHBondContact NH1-O 2.68Å; R495-V526 HydrophobicContact CG-CG2 4.02Å
496L83.1Confident86.3Confident48 Ų4834.5 Ų34.525%0.25116%0.163SC..Hα-helixtrans-62.3-50.5-176.6-174.866.2000110.8I67 F69 S494 F498 I499 Q500 V526I67-L496 HydrophobicContact CG2-CD1 4.42Å; I67-L496 HydrophobicContact CG2-CD2 4.23Å; F69-L496 HydrophobicContact CD2-CD1 4.21Å; S494-L496 VanDerWaalsContact C-N 3.31Å; S494-L496 PolarHBondContact O-N 2.88Å; L496-F498 VanDerWaalsContact C-N 3.33Å; L496-F498 PolarHBondContact O-N 2.86Å; L496-I499 PolarHBondContact O-N 3.19Å; L496-Q500 WeakPolarHBondContact O-CG 2.75Å; L496-Q500 PolarHBondContact O-N 3.04Å; L496-V526 HydrophobicContact CD1-CG1 4.23Å; L496-V526 HydrophobicContact CD1-CG2 4.32Å
497K83.3Confident86.2Confident79 Ų7935.8 Ų35.834%0.34317%0.169SC..Hα-helixtrans-62.1-39.6177.4-166.1175.1-173.3178.90111.6E51 S494 Q500 N501E51-K497 IonicContact OE1-NZ 2.87Å; E51-K497 PolarHBondContact OE1-NZ 2.9Å; S494-K497 PolarHBondContact O-N 3.18Å; K497-Q500 PolarHBondContact O-N 3.34Å; K497-N501 WeakPolarHBondContact O-CB 3.5Å; K497-N501 PolarHBondContact O-N 2.96Å; K497-N501 PolarHBondContact O-OD1 3.28Å; K497-N501 VanDerWaalsContact O-OD1 3.05Å
498F85.2Confident86.1Confident13 Ų1336.4 Ų36.46%0.05717%0.172CC..Hα-helixtrans-67.7-39.9177.4-175.5-149.5000112.5Y2 A4 I420 S494 R495 L496 N501 L502 L514Y2-F498 HydrophobicContact CD1-CE2 4.08Å; Y2-F498 AromaticContact CG-CE2 3.97Å; Y2-F498 HydrophobicContact CG-CE2 3.97Å; Y2-F498 HydrophobicContact CG-CZ 4.17Å; A4-F498 HydrophobicContact CB-CE1 3.84Å; A4-F498 HydrophobicContact CB-CZ 4.09Å; I420-F498 HydrophobicContact CG2-CZ 4.5Å; S494-F498 WeakPolarHBondContact O-CB 3.37Å; S494-F498 PolarHBondContact O-N 2.78Å; R495-F498 PolarHBondContact O-N 3.16Å; L496-F498 VanDerWaalsContact C-N 3.33Å; L496-F498 PolarHBondContact O-N 2.86Å; F498-N501 PolarHBondContact O-N 3.38Å; F498-L502 HydrophobicContact CD2-CD1 4.05Å; F498-L502 HydrophobicContact CD2-CG 4.06Å; F498-L502 HydrophobicContact CE1-CD1 4.24Å; F498-L502 HydrophobicContact CE2-CD1 3.71Å; F498-L502 HydrophobicContact CE2-CD2 3.96Å; F498-L502 HydrophobicContact CE2-CG 3.74Å; F498-L502 HydrophobicContact CG-CD1 4.42Å; F498-L502 HydrophobicContact CZ-CD1 3.82Å; F498-L502 HydrophobicContact CZ-CD2 4.42Å; F498-L502 HydrophobicContact CZ-CG 4.32Å; F498-L502 VanDerWaalsContact O-CG 3.29Å; F498-L502 WeakPolarHBondContact O-CG 3.38Å; F498-L502 PolarHBondContact O-N 2.74Å; F498-L502 VanDerWaalsContact O-N 3.1Å; F498-L514 HydrophobicContact CD1-CD1 3.9Å; F498-L514 HydrophobicContact CE1-CD1 3.46Å; F498-L514 VanDerWaalsContact CE1-CD1 3.46Å; F498-L514 HydrophobicContact CZ-CD1 4.05Å
499I85.8Confident85.8Confident0 Ų039.5 Ų39.50%019%0.188CC..Hα-helixtrans-66.3-41.5175.3-69.9172.8000111F69 R495 L496 L502 V503 A511 L514 A515 V526 I531F69-I499 HydrophobicContact CD2-CG2 3.91Å; F69-I499 HydrophobicContact CE2-CB 4.47Å; F69-I499 HydrophobicContact CE2-CG2 3.65Å; R495-I499 HydrophobicContact CG-CD1 3.42Å; R495-I499 VanDerWaalsContact CG-CD1 3.42Å; R495-I499 HydrophobicContact CG-CG1 4.12Å; R495-I499 WeakPolarHBondContact O-CB 3.26Å; R495-I499 VanDerWaalsContact O-CG1 3.24Å; R495-I499 WeakPolarHBondContact O-CG1 3.41Å; R495-I499 PolarHBondContact O-N 3.41Å; L496-I499 PolarHBondContact O-N 3.19Å; I499-L502 PolarHBondContact O-N 2.79Å; I499-L502 VanDerWaalsContact O-N 3.14Å; I499-V503 WeakPolarHBondContact O-CG2 3.35Å; I499-V503 PolarHBondContact O-N 2.83Å; I499-A511 HydrophobicContact CG2-CB 4.17Å; I499-L514 HydrophobicContact CD1-CB 4.38Å; I499-L514 HydrophobicContact CG1-CB 4.21Å; I499-A515 HydrophobicContact CD1-CB 3.87Å; I499-V526 HydrophobicContact CD1-CB 4.04Å; I499-V526 HydrophobicContact CD1-CG1 4.36Å; I499-V526 HydrophobicContact CD1-CG2 4.08Å; I499-I531 HydrophobicContact CG2-CD1 3.56Å; I499-I531 HydrophobicContact CG2-CG1 4.47Å
500Q86.1Confident85.5Confident25 Ų2539.6 Ų39.612%0.11719%0.188CC..Hα-helixtrans-56.5-53173.1-72.4169.4-43.700110.7F69 K70 I73 L496 K497 L502 V503 E504F69-Q500 HydrophobicContact CD2-CG 4.46Å; F69-Q500 HydrophobicContact CE2-CB 4.37Å; F69-Q500 HydrophobicContact CE2-CG 3.56Å; F69-Q500 HydrophobicContact CZ-CG 3.97Å; K70-Q500 PolarHBondContact O-NE2 3.36Å; I73-Q500 HydrophobicContact CD1-CB 4.46Å; L496-Q500 WeakPolarHBondContact O-CG 2.75Å; L496-Q500 PolarHBondContact O-N 3.04Å; K497-Q500 PolarHBondContact O-N 3.34Å; Q500-L502 PolarHBondContact O-N 2.69Å; Q500-V503 PolarHBondContact O-N 3.23Å; Q500-E504 PolarHBondContact O-N 3.1Å
501N85.8Confident85.3Confident52 Ų5239.6 Ų39.628%0.27819%0.188SC..Hα-helixtrans-61.3-17.4177.4-658.2000114.5K497 F498 K505K497-N501 WeakPolarHBondContact O-CB 3.5Å; K497-N501 PolarHBondContact O-N 2.96Å; K497-N501 PolarHBondContact O-OD1 3.28Å; K497-N501 VanDerWaalsContact O-OD1 3.05Å; F498-N501 PolarHBondContact O-N 3.38Å; N501-K505 WeakPolarHBondContact O-CD 3.39Å; N501-K505 VanDerWaalsContact O-CG 3.32Å; N501-K505 WeakPolarHBondContact O-CG 3.39Å
502L85.9Confident85Confident1 Ų140.3 Ų40.31%0.00519%0.192CC..Hα-helixtrans-89.5-37.1174.1-74.4170000112Y2 F498 I499 Q500 K505 K506 E507 L510 A511 L514Y2-L502 HydrophobicContact CD1-CD2 3.79Å; Y2-L502 HydrophobicContact CE1-CD2 3.7Å; F498-L502 HydrophobicContact CD2-CD1 4.05Å; F498-L502 HydrophobicContact CD2-CG 4.06Å; F498-L502 HydrophobicContact CE1-CD1 4.24Å; F498-L502 HydrophobicContact CE2-CD1 3.71Å; F498-L502 HydrophobicContact CE2-CD2 3.96Å; F498-L502 HydrophobicContact CE2-CG 3.74Å; F498-L502 HydrophobicContact CG-CD1 4.42Å; F498-L502 HydrophobicContact CZ-CD1 3.82Å; F498-L502 HydrophobicContact CZ-CD2 4.42Å; F498-L502 HydrophobicContact CZ-CG 4.32Å; F498-L502 VanDerWaalsContact O-CG 3.29Å; F498-L502 WeakPolarHBondContact O-CG 3.38Å; F498-L502 PolarHBondContact O-N 2.74Å; F498-L502 VanDerWaalsContact O-N 3.1Å; I499-L502 PolarHBondContact O-N 2.79Å; I499-L502 VanDerWaalsContact O-N 3.14Å; Q500-L502 PolarHBondContact O-N 2.69Å; L502-K505 CarbonylContact O-C 3.58Å; L502-K505 PolarHBondContact O-N 3.47Å; L502-K506 PolarHBondContact O-N 2.82Å; L502-E507 HydrophobicContact CB-CB 4.33Å; L502-E507 HydrophobicContact CD2-CB 3.97Å; L502-E507 HydrophobicContact CD2-CG 4.39Å; L502-E507 PolarHBondContact O-N 2.89Å; L502-L510 HydrophobicContact CD1-CD2 4.13Å; L502-L510 HydrophobicContact CD1-CG 3.91Å; L502-L510 HydrophobicContact CD2-CD2 3.82Å; L502-L510 HydrophobicContact CD2-CG 4.39Å; L502-A511 HydrophobicContact CB-CB 4.05Å; L502-L514 HydrophobicContact CD1-CD1 3.45Å; L502-L514 VanDerWaalsContact CD1-CD1 3.45Å
503V86.2Confident84.7Confident12 Ų1241.2 Ų41.27%0.07320%0.198CC..Hα-helixtrans-62.8-43.3173.1168.10000110.8F69 I499 Q500 K505 K506 F508 A511 I531 L534F69-V503 HydrophobicContact CE1-CG2 4.44Å; F69-V503 HydrophobicContact CE2-CG2 4.42Å; F69-V503 HydrophobicContact CZ-CB 4.14Å; F69-V503 HydrophobicContact CZ-CG1 4.31Å; F69-V503 HydrophobicContact CZ-CG2 3.85Å; I499-V503 WeakPolarHBondContact O-CG2 3.35Å; I499-V503 PolarHBondContact O-N 2.83Å; Q500-V503 PolarHBondContact O-N 3.23Å; V503-K505 PolarHBondContact O-N 2.82Å; V503-K506 PolarHBondContact O-N 2.73Å; V503-F508 HydrophobicContact CG1-CE1 4.12Å; V503-A511 HydrophobicContact CG2-CB 4.15Å; V503-I531 HydrophobicContact CG2-CG1 4.5Å; V503-I531 HydrophobicContact CG2-CG2 3.94Å; V503-L534 HydrophobicContact CG1-CD1 3.94Å
504E86.5Confident84.5Confident124 Ų12441 Ų4158%0.57920%0.196SC*.THydrogen-bonded Turntrans-56-38.8171.7-68.8-176.3124.600112.6I73 Q500 K506I73-E504 HydrophobicContact CD1-CG 4.27Å; I73-E504 VanDerWaalsContact CD1-OE1 3.25Å; I73-E504 WeakPolarHBondContact CD1-OE1 3.42Å; Q500-E504 PolarHBondContact O-N 3.1Å; E504-K506 PolarHBondContact O-N 3.09Å
505K85.8Confident84.4Confident122 Ų12239.7 Ų39.753%0.5319%0.187SC..THydrogen-bonded Turntrans-83.210178.8-67.9178.2-176.7-179.90113.4N501 L502 V503 E507N501-K505 WeakPolarHBondContact O-CD 3.39Å; N501-K505 VanDerWaalsContact O-CG 3.32Å; N501-K505 WeakPolarHBondContact O-CG 3.39Å; L502-K505 CarbonylContact O-C 3.58Å; L502-K505 PolarHBondContact O-N 3.47Å; V503-K505 PolarHBondContact O-N 2.82Å; K505-E507 HydrophobicContact CB-CG 4.01Å; K505-E507 WeakPolarHBondContact O-CG 3.23Å; K505-E507 PolarHBondContact O-N 3.23Å
506K85.1Confident84Confident131 Ų13143.2 Ų43.257%0.5720%0.203SC*.THydrogen-bonded Turntrans5921.7-177.7-61.8169.2151.8-138.70114.1L502 V503 E504 F508 H538L502-K506 PolarHBondContact O-N 2.82Å; V503-K506 PolarHBondContact O-N 2.73Å; E504-K506 PolarHBondContact O-N 3.09Å; K506-F508 VanDerWaalsContact C-N 3.29Å; K506-F508 HydrophobicContact CB-CE2 3.92Å; K506-F508 HydrophobicContact CG-CE2 4.37Å; K506-F508 WeakPolarHBondContact O-CD2 3.41Å; K506-F508 PolarHBondContact O-N 2.88Å; K506-F508 VanDerWaalsContact O-N 3.13Å; K506-H538 VanDerWaalsContact CD-NE2 3.32Å; K506-H538 WeakPolarHBondContact CD-NE2 3.26Å; K506-H538 WeakPolarHBondContact CE-NE2 3.41Å; K506-H538 PolarHBondContact NZ-NE2 3.13Å
507E84.9Confident83.4Confident38 Ų3842.2 Ų42.218%0.17820%0.198CC..  trans-91.251.5-175.5-58.9-156.3-179.800113Y2 K418 L502 K505 E509 L510 A511Y2-E507 PolarHBondContact OH-OE1 2.78Å; Y2-E507 PolarHBondContact OH-OE2 2.71Å; K418-E507 IonicContact NZ-OE1 2.7Å; K418-E507 PolarHBondContact NZ-OE1 3.5Å; K418-E507 IonicContact NZ-OE2 3.52Å; K418-E507 PolarHBondContact NZ-OE2 2.78Å; L502-E507 HydrophobicContact CB-CB 4.33Å; L502-E507 HydrophobicContact CD2-CB 3.97Å; L502-E507 HydrophobicContact CD2-CG 4.39Å; L502-E507 PolarHBondContact O-N 2.89Å; K505-E507 HydrophobicContact CB-CG 4.01Å; K505-E507 WeakPolarHBondContact O-CG 3.23Å; K505-E507 PolarHBondContact O-N 3.23Å; E507-E509 VanDerWaalsContact C-N 3.34Å; E507-E509 PolarHBondContact O-N 3.49Å; E507-L510 PolarHBondContact O-N 3.34Å; E507-A511 PolarHBondContact O-N 3.29Å
508F87Confident82.4Confident15 Ų1539 Ų397%0.06619%0.186CC..Hα-helixtrans-58.2-38.4-169.7-58.2-80.1000114.5V503 K506 L510 A511 I512 I531 L534 Y535 H538V503-F508 HydrophobicContact CG1-CE1 4.12Å; K506-F508 VanDerWaalsContact C-N 3.29Å; K506-F508 HydrophobicContact CB-CE2 3.92Å; K506-F508 HydrophobicContact CG-CE2 4.37Å; K506-F508 WeakPolarHBondContact O-CD2 3.41Å; K506-F508 PolarHBondContact O-N 2.88Å; K506-F508 VanDerWaalsContact O-N 3.13Å; F508-L510 VanDerWaalsContact C-N 3.35Å; F508-L510 PolarHBondContact O-N 3.3Å; F508-A511 WeakPolarHBondContact O-CB 3.33Å; F508-A511 PolarHBondContact O-N 2.91Å; F508-I512 WeakPolarHBondContact O-CB 3.12Å; F508-I512 VanDerWaalsContact O-CG1 3.22Å; F508-I512 WeakPolarHBondContact O-CG1 3.3Å; F508-I512 PolarHBondContact O-N 3.42Å; F508-I531 HydrophobicContact CD1-CG2 4.29Å; F508-L534 HydrophobicContact CD1-CB 4.23Å; F508-L534 HydrophobicContact CE1-CB 3.56Å; F508-L534 HydrophobicContact CZ-CB 4.28Å; F508-Y535 HydrophobicContact CB-CD1 4.45Å; F508-Y535 HydrophobicContact CB-CD2 3.44Å; F508-Y535 VanDerWaalsContact CB-CD2 3.44Å; F508-Y535 HydrophobicContact CB-CE2 4.22Å; F508-Y535 HydrophobicContact CB-CG 3.57Å; F508-Y535 AromaticContact CD2-CD2 3.84Å; F508-Y535 HydrophobicContact CD2-CD2 3.84Å; F508-Y535 HydrophobicContact CD2-CG 4.49Å; F508-Y535 AromaticContact CG-CD2 3.84Å; F508-Y535 HydrophobicContact CG-CD2 3.84Å; F508-Y535 HydrophobicContact CG-CG 4.09Å; F508-H538 HydrophobicContact CD2-CB 4.33Å; F508-H538 HydrophobicContact CE2-CB 3.75Å; F508-H538 AromaticContact CE2-CD2 3.61Å; F508-H538 AromaticContact CE2-CG 3.75Å; F508-H538 HydrophobicContact CZ-CB 4.35Å
509E83.6Confident81Confident103 Ų10341.5 Ų41.548%0.48120%0.199SC..Hα-helixtrans-61.3-42.9179.5-67.2174.3-163.800112.1E507 C513 Y535E507-E509 VanDerWaalsContact C-N 3.34Å; E507-E509 PolarHBondContact O-N 3.49Å; E509-C513 VanDerWaalsContact O-CB 3.28Å; E509-C513 WeakPolarHBondContact O-CB 3.29Å; E509-C513 PolarHBondContact O-N 2.87Å; E509-Y535 HydrophobicContact CG-CE1 4.27Å; E509-Y535 HydrophobicContact CG-CE2 4.05Å; E509-Y535 VanDerWaalsContact CG-OH 3.32Å; E509-Y535 WeakPolarHBondContact CG-OH 3.49Å; E509-Y535 PolarHBondContact OE1-OH 3.33Å
510L83.8Confident79.8Confident3 Ų343 Ų432%0.01621%0.205CC..Hα-helixtrans-70.8-41.2176.5-178.858.2000110.8T413 K418 I420 L502 E507 F508 I512 C513 L514T413-L510 HydrophobicContact CG2-CD1 3.83Å; K418-L510 HydrophobicContact CD-CD2 4.41Å; I420-L510 HydrophobicContact CD1-CD1 4.05Å; I420-L510 HydrophobicContact CD1-CD2 3.73Å; L502-L510 HydrophobicContact CD1-CD2 4.13Å; L502-L510 HydrophobicContact CD1-CG 3.91Å; L502-L510 HydrophobicContact CD2-CD2 3.82Å; L502-L510 HydrophobicContact CD2-CG 4.39Å; E507-L510 PolarHBondContact O-N 3.34Å; F508-L510 VanDerWaalsContact C-N 3.35Å; F508-L510 PolarHBondContact O-N 3.3Å; L510-I512 PolarHBondContact O-N 3.38Å; L510-C513 PolarHBondContact O-N 3.14Å; L510-L514 HydrophobicContact CD1-CD1 3.9Å; L510-L514 HydrophobicContact CD1-CG 4.17Å; L510-L514 HydrophobicContact CG-CD1 3.87Å; L510-L514 WeakPolarHBondContact O-CB 3.49Å; L510-L514 WeakPolarHBondContact O-CD1 3.36Å; L510-L514 VanDerWaalsContact O-CG 3.28Å; L510-L514 WeakPolarHBondContact O-CG 3.24Å; L510-L514 PolarHBondContact O-N 3.06Å
511A85.7Confident78.9Confident0 Ų042 Ų420%020%0.201CC..Hα-helixtrans-58.3-46.2174.600000112.2I499 L502 V503 E507 F508 L514 A515 I531I499-A511 HydrophobicContact CG2-CB 4.17Å; L502-A511 HydrophobicContact CB-CB 4.05Å; V503-A511 HydrophobicContact CG2-CB 4.15Å; E507-A511 PolarHBondContact O-N 3.29Å; F508-A511 WeakPolarHBondContact O-CB 3.33Å; F508-A511 PolarHBondContact O-N 2.91Å; A511-L514 PolarHBondContact O-N 3.25Å; A511-A515 VanDerWaalsContact O-CB 3.3Å; A511-A515 WeakPolarHBondContact O-CB 3.37Å; A511-A515 PolarHBondContact O-N 2.8Å; A511-I531 HydrophobicContact CB-CG2 3.98Å
512I83.5Confident77.9Confident16 Ų1640.1 Ų40.18%0.08219%0.194CC..Hα-helixtrans-67.6-40.4177.6-68.1166.1000111.1F508 L510 L514 A515 K516 I531 Y535F508-I512 WeakPolarHBondContact O-CB 3.12Å; F508-I512 VanDerWaalsContact O-CG1 3.22Å; F508-I512 WeakPolarHBondContact O-CG1 3.3Å; F508-I512 PolarHBondContact O-N 3.42Å; L510-I512 PolarHBondContact O-N 3.38Å; I512-L514 VanDerWaalsContact C-N 3.35Å; I512-L514 PolarHBondContact O-N 3.4Å; I512-A515 PolarHBondContact O-N 3.49Å; I512-K516 HydrophobicContact CG2-CD 3.82Å; I512-K516 VanDerWaalsContact CG2-CE 3.47Å; I512-K516 HydrophobicContact CG2-CG 4.41Å; I512-K516 WeakPolarHBondContact O-CB 3.48Å; I512-K516 VanDerWaalsContact O-CG 3.31Å; I512-K516 WeakPolarHBondContact O-CG 3.28Å; I512-K516 PolarHBondContact O-N 2.94Å; I512-I531 HydrophobicContact CD1-CG2 4.27Å; I512-I531 HydrophobicContact CG1-CB 4.18Å; I512-I531 HydrophobicContact CG1-CG2 3.62Å; I512-Y535 HydrophobicContact CD1-CD1 3.97Å; I512-Y535 HydrophobicContact CD1-CG 4.44Å
513C80.3Confident77.4Confident29 Ų2940.9 Ų40.920%0.19620%0.198CC..Hα-helixtrans-61.1-43.1176-173.50000111.8N415 E509 L510 T517N415-C513 PolarHBondContact O-SG 2.96Å; E509-C513 VanDerWaalsContact O-CB 3.28Å; E509-C513 WeakPolarHBondContact O-CB 3.29Å; E509-C513 PolarHBondContact O-N 2.87Å; L510-C513 PolarHBondContact O-N 3.14Å; C513-T517 WeakPolarHBondContact O-CB 3.41Å; C513-T517 PolarHBondContact O-N 3.39Å; C513-T517 VanDerWaalsContact O-N 3.1Å; C513-T517 PolarHBondContact O-OG1 3.29Å
514L80.4Confident76.8Confident5 Ų543.1 Ų43.13%0.02621%0.209CC..Hα-helixtrans-72.9-32.4177.6-70.2165.9000113.4P399 Y400 R495 F498 I499 L502 L510 A511 I512P399-L514 HydrophobicContact CG-CD2 3.74Å; Y400-L514 HydrophobicContact CE1-CD2 4.18Å; Y400-L514 HydrophobicContact CE2-CD2 4.31Å; Y400-L514 VanDerWaalsContact OH-CD2 3.27Å; Y400-L514 WeakPolarHBondContact OH-CD2 3.27Å; R495-L514 PolarHBondContact NE-O 2.87Å; F498-L514 HydrophobicContact CD1-CD1 3.9Å; F498-L514 HydrophobicContact CE1-CD1 3.46Å; F498-L514 VanDerWaalsContact CE1-CD1 3.46Å; F498-L514 HydrophobicContact CZ-CD1 4.05Å; I499-L514 HydrophobicContact CD1-CB 4.38Å; I499-L514 HydrophobicContact CG1-CB 4.21Å; L502-L514 HydrophobicContact CD1-CD1 3.45Å; L502-L514 VanDerWaalsContact CD1-CD1 3.45Å; L510-L514 HydrophobicContact CD1-CD1 3.9Å; L510-L514 HydrophobicContact CD1-CG 4.17Å; L510-L514 HydrophobicContact CG-CD1 3.87Å; L510-L514 WeakPolarHBondContact O-CB 3.49Å; L510-L514 WeakPolarHBondContact O-CD1 3.36Å; L510-L514 VanDerWaalsContact O-CG 3.28Å; L510-L514 WeakPolarHBondContact O-CG 3.24Å; L510-L514 PolarHBondContact O-N 3.06Å; A511-L514 PolarHBondContact O-N 3.25Å; I512-L514 VanDerWaalsContact C-N 3.35Å; I512-L514 PolarHBondContact O-N 3.4Å
515A81.9Confident76.3Confident1 Ų137.7 Ų37.71%0.00819%0.185CC..Hα-helixtrans-65-47.3173.400000111.8I499 A511 I512 V526 T528 I531I499-A515 HydrophobicContact CD1-CB 3.87Å; A511-A515 VanDerWaalsContact O-CB 3.3Å; A511-A515 WeakPolarHBondContact O-CB 3.37Å; A511-A515 PolarHBondContact O-N 2.8Å; I512-A515 PolarHBondContact O-N 3.49Å; A515-V526 HydrophobicContact CB-CB 4.28Å; A515-V526 PolarHBondContact O-N 3.18Å; A515-T528 HydrophobicContact CB-CG2 3.85Å; A515-I531 HydrophobicContact CB-CD1 4.1Å
516K75.3Confident76Confident91 Ų9132 Ų3240%0.39616%0.16SC..Hα-helixtrans-68.3-36.1180-70.8174.3177.3171.10112.8I512 S518 T528I512-K516 HydrophobicContact CG2-CD 3.82Å; I512-K516 VanDerWaalsContact CG2-CE 3.47Å; I512-K516 HydrophobicContact CG2-CG 4.41Å; I512-K516 WeakPolarHBondContact O-CB 3.48Å; I512-K516 VanDerWaalsContact O-CG 3.31Å; I512-K516 WeakPolarHBondContact O-CG 3.28Å; I512-K516 PolarHBondContact O-N 2.94Å; K516-S518 PolarHBondContact O-N 3.47Å; K516-T528 HydrophobicContact CD-CG2 4.46Å; K516-T528 HydrophobicContact CG-CG2 3.67Å
517T69Low75.7Confident27 Ų2728 Ų2817%0.16614%0.144CC..  trans-92.578.6-171.5-45.90000112.3P398 P399 R495 C513P398-T517 HydrophobicContact CB-CG2 4.29Å; P399-T517 HydrophobicContact CB-CG2 3.96Å; P399-T517 HydrophobicContact CG-CG2 4.19Å; R495-T517 PolarHBondContact NH2-O 2.99Å; C513-T517 WeakPolarHBondContact O-CB 3.41Å; C513-T517 PolarHBondContact O-N 3.39Å; C513-T517 VanDerWaalsContact O-N 3.1Å; C513-T517 PolarHBondContact O-OG1 3.29Å
518S63.8Low75.6Confident12 Ų1227.3 Ų27.38%0.08414%0.142CC..  trans-87.4-29.5178.354.50000115.3K516 S521K516-S518 PolarHBondContact O-N 3.47Å; S518-S521 PolarHBondContact O-N 3.08Å; S518-S521 PolarHBondContact O-OG 3.03Å
519L55.8Low75.3Confident64 Ų6428.6 Ų28.634%0.33515%0.149SC..THydrogen-bonded Turntrans-55.2146.6-179.6-61.6170.4000111.4S521L519-S521 PolarHBondContact O-N 2.96Å
520Y60.2Low75.1Confident31 Ų3125.1 Ų25.112%0.12213%0.133CC..THydrogen-bonded Turntrans65.8-24.7-179.1-45.1-76000116.8H291 P398 Y433 K435 G437 G522H291-Y520 HydrophobicContact CB-CE2 3.83Å; H291-Y520 AromaticContact CD2-CE2 3.98Å; H291-Y520 AromaticContact CD2-CZ 3.67Å; H291-Y520 PolarHBondContact CD2-OH 2.98Å; H291-Y520 AromaticContact CG-CE2 3.9Å; H291-Y520 AromaticContact CG-CZ 3.96Å; H291-Y520 PolarHBondContact NE2-OH 3.38Å; P398-Y520 HydrophobicContact CB-CD2 4.18Å; P398-Y520 HydrophobicContact CG-CD2 3.84Å; P398-Y520 HydrophobicContact CG-CE2 4.42Å; P398-Y520 HydrophobicContact CG-CG 4.48Å; Y433-Y520 HydrophobicContact CE2-CD1 4.21Å; K435-Y520 HydrophobicContact CG-CD1 4.2Å; K435-Y520 HydrophobicContact CG-CE1 4.35Å; G437-Y520 VanDerWaalsContact CA-O 3.29Å; G437-Y520 WeakPolarHBondContact CA-O 3.46Å; G437-Y520 PolarHBondContact N-O 2.88Å; Y520-G522 PolarHBondContact O-N 2.76Å
521S66.4Low75.1Confident5 Ų525 Ų254%0.03513%0.132CC..SBendtrans-72-13.5177.671.90000114.9F53 R495 S518 L519 Q523F53-S521 WeakPolarHBondContact CD1-O 3.02Å; F53-S521 WeakPolarHBondContact CE1-O 3.35Å; R495-S521 PolarHBondContact NH1-OG 2.96Å; R495-S521 PolarHBondContact NH2-OG 2.99Å; S518-S521 PolarHBondContact O-N 3.08Å; S518-S521 PolarHBondContact O-OG 3.03Å; L519-S521 PolarHBondContact O-N 2.96Å; S521-Q523 PolarHBondContact O-N 3.01Å; S521-Q523 PolarHBondContact OG-N 2.63Å
522G65.1Low75Confident13 Ų1325.2 Ų25.213%0.13413%0.134CC..  trans69.5-16.8-169.800000115.5F53 C436 Y520F53-G522 VanDerWaalsContact CZ-C 3.48Å; F53-G522 WeakPolarHBondContact CZ-O 3.24Å; C436-G522 VanDerWaalsContact O-CA 3.32Å; C436-G522 WeakPolarHBondContact O-CA 3.43Å; Y520-G522 PolarHBondContact O-N 2.76Å
523Q75.8Confident75Confident17 Ų1724.7 Ų24.78%0.07913%0.131CC..SBendtrans-85.6146.4-175.9-67.8-170.774.400112.3F53 A493 R495 S521F53-Q523 VanDerWaalsContact CB-CD 3.47Å; F53-Q523 HydrophobicContact CB-CG 3.82Å; F53-Q523 HydrophobicContact CD1-CG 3.5Å; F53-Q523 HydrophobicContact CD2-CG 3.42Å; F53-Q523 VanDerWaalsContact CD2-CG 3.42Å; F53-Q523 HydrophobicContact CE1-CG 3.81Å; F53-Q523 HydrophobicContact CE2-CG 3.74Å; F53-Q523 HydrophobicContact CG-CG 3.27Å; F53-Q523 HydrophobicContact CZ-CG 3.92Å; A493-Q523 PolarHBondContact O-NE2 3.19Å; A493-Q523 PolarHBondContact O-OE1 3.13Å; R495-Q523 HydrophobicContact CB-CB 4.48Å; R495-Q523 VanDerWaalsContact NH1-C 3.3Å; R495-Q523 PolarHBondContact NH1-O 3.26Å; S521-Q523 PolarHBondContact O-N 3.01Å; S521-Q523 PolarHBondContact OG-N 2.63Å
524N74.1Confident75.2Confident59 Ų5925.8 Ų25.832%0.31614%0.135SC..PPolyproline II helixtrans-55.8142.7171.7-77.7-23.1000111.8L64 K65 I67 R495L64-N524 WeakPolarHBondContact CA-OD1 3.12Å; L64-N524 WeakPolarHBondContact CB-OD1 3.47Å; L64-N524 VanDerWaalsContact CD2-OD1 3.3Å; L64-N524 WeakPolarHBondContact CD2-OD1 3.49Å; K65-N524 VanDerWaalsContact O-CB 3.26Å; K65-N524 WeakPolarHBondContact O-CB 3.4Å; K65-N524 PolarHBondContact O-OD1 2.98Å; I67-N524 HydrophobicContact CD1-CB 3.72Å; I67-N524 HydrophobicContact CG1-CB 3.91Å; R495-N524 WeakPolarHBondContact CD-O 3.48Å; R495-N524 PolarHBondContact NH1-O 2.68Å
525P74.4Confident75.6Confident10 Ų1027.1 Ų27.17%0.06514%0.14CC..PPolyproline II helixtrans-62.5164.7165.124.8-30.2000112E66 I67E66-P525 WeakPolarHBondContact CA-O 3.36Å; E66-P525 HydrophobicContact CB-CG 4.38Å; E66-P525 HydrophobicContact CG-CB 3.67Å; E66-P525 HydrophobicContact CG-CG 3.42Å; E66-P525 VanDerWaalsContact CG-CG 3.42Å; I67-P525 PolarHBondContact N-O 3.29Å
526V79.5Confident75.8Confident2 Ų227 Ų271%0.01214%0.139CC..BIsolated β-bridgetrans-125.8138.7-179.1173.10000109.2I67 F69 R495 L496 I499 A515 T528I67-V526 WeakPolarHBondContact O-CA 3.46Å; F69-V526 HydrophobicContact CB-CG1 3.91Å; F69-V526 HydrophobicContact CD2-CG1 4.12Å; F69-V526 HydrophobicContact CG-CG1 4.49Å; R495-V526 HydrophobicContact CG-CG2 4.02Å; L496-V526 HydrophobicContact CD1-CG1 4.23Å; L496-V526 HydrophobicContact CD1-CG2 4.32Å; I499-V526 HydrophobicContact CD1-CB 4.04Å; I499-V526 HydrophobicContact CD1-CG1 4.36Å; I499-V526 HydrophobicContact CD1-CG2 4.08Å; A515-V526 HydrophobicContact CB-CB 4.28Å; A515-V526 PolarHBondContact O-N 3.18Å; V526-T528 PolarHBondContact O-N 2.93Å
527E80.1Confident76.2Confident47 Ų4724.2 Ų24.222%0.2213%0.128CC..  trans-58.6122.1-177.9-73.8171.6-16100111.6E66 I67 P68 I628E66-E527 HydrophobicContact CB-CG 4.22Å; I67-E527 PolarHBondContact O-N 2.68Å; P68-E527 WeakPolarHBondContact CA-OE2 3.18Å; P68-E527 WeakPolarHBondContact CB-OE2 3.41Å; E527-I628 HydrophobicContact CG-CG2 3.92Å
528T83Confident77Confident23 Ų2324.7 Ų24.714%0.14113%0.128CC..SBendtrans-82.5-17.4-17455.20000114.4A515 K516 V526 I531 T532A515-T528 HydrophobicContact CB-CG2 3.85Å; K516-T528 HydrophobicContact CD-CG2 4.46Å; K516-T528 HydrophobicContact CG-CG2 3.67Å; V526-T528 PolarHBondContact O-N 2.93Å; T528-I531 PolarHBondContact O-N 2.95Å; T528-T532 WeakPolarHBondContact O-CB 3.45Å; T528-T532 PolarHBondContact O-N 2.58Å; T528-T532 PolarHBondContact O-OG1 3.01Å
529L79.2Confident78.1Confident43 Ų4324.7 Ų24.723%0.22513%0.127CC..Hα-helixtrans-56.2-58.7-171.3178.560.1000111.4I531 T532 I533 Q555 Y664L529-I531 VanDerWaalsContact C-N 3.28Å; L529-I531 PolarHBondContact O-N 2.96Å; L529-T532 PolarHBondContact O-N 3.05Å; L529-I533 HydrophobicContact CD1-CD1 3.97Å; L529-I533 HydrophobicContact CD1-CG1 4.21Å; L529-I533 HydrophobicContact CG-CD1 3.95Å; L529-I533 WeakPolarHBondContact O-CG1 3.14Å; L529-I533 PolarHBondContact O-N 3.07Å; L529-Q555 HydrophobicContact CD1-CB 3.76Å; L529-Q555 HydrophobicContact CD1-CG 4.11Å; L529-Y664 HydrophobicContact CD2-CD1 3.85Å; L529-Y664 HydrophobicContact CD2-CE1 3.96Å; L529-Y664 HydrophobicContact CD2-CG 4.15Å
530Q79.1Confident79.4Confident30 Ų3022.1 Ų22.114%0.1411%0.113CC..Hα-helixtrans-54.5-42.9-179.1-165.374.355.200112.7F69 T532 L534F69-Q530 HydrophobicContact CB-CB 4.37Å; F69-Q530 HydrophobicContact CD1-CB 3.97Å; F69-Q530 HydrophobicContact CD1-CG 3.82Å; F69-Q530 HydrophobicContact CE1-CG 4.48Å; Q530-T532 VanDerWaalsContact C-N 3.34Å; Q530-L534 WeakPolarHBondContact O-CG 3.28Å; Q530-L534 PolarHBondContact O-N 3.39Å
531I84.2Confident80.5Confident0 Ų024.3 Ų24.30%012%0.124CC..Hα-helixtrans-67.8-37.7-179.1-50.6168.8000110.5F69 I499 V503 F508 A511 I512 A515 T528 L529 L534 Y535F69-I531 HydrophobicContact CB-CG1 4.43Å; F69-I531 HydrophobicContact CD1-CG1 4.02Å; F69-I531 HydrophobicContact CD2-CD1 4.16Å; F69-I531 HydrophobicContact CD2-CG1 4.19Å; F69-I531 HydrophobicContact CE1-CG1 4.36Å; F69-I531 HydrophobicContact CG-CD1 4.26Å; F69-I531 HydrophobicContact CG-CG1 3.93Å; I499-I531 HydrophobicContact CG2-CD1 3.56Å; I499-I531 HydrophobicContact CG2-CG1 4.47Å; V503-I531 HydrophobicContact CG2-CG1 4.5Å; V503-I531 HydrophobicContact CG2-CG2 3.94Å; F508-I531 HydrophobicContact CD1-CG2 4.29Å; A511-I531 HydrophobicContact CB-CG2 3.98Å; I512-I531 HydrophobicContact CD1-CG2 4.27Å; I512-I531 HydrophobicContact CG1-CB 4.18Å; I512-I531 HydrophobicContact CG1-CG2 3.62Å; A515-I531 HydrophobicContact CB-CD1 4.1Å; T528-I531 PolarHBondContact O-N 2.95Å; L529-I531 VanDerWaalsContact C-N 3.28Å; L529-I531 PolarHBondContact O-N 2.96Å; I531-L534 PolarHBondContact O-N 2.89Å; I531-Y535 WeakPolarHBondContact O-CB 3.27Å; I531-Y535 PolarHBondContact O-N 3.49Å
532T84.9Confident81.4Confident5 Ų529 Ų293%0.03115%0.146CC..Hα-helixtrans-75.3-34.5-178.8-49.30000111.9T528 L529 Q530 Y535 A536 L551 Q555T528-T532 WeakPolarHBondContact O-CB 3.45Å; T528-T532 PolarHBondContact O-N 2.58Å; T528-T532 PolarHBondContact O-OG1 3.01Å; L529-T532 PolarHBondContact O-N 3.05Å; Q530-T532 VanDerWaalsContact C-N 3.34Å; T532-Y535 PolarHBondContact O-N 3.43Å; T532-A536 WeakPolarHBondContact O-CB 3.13Å; T532-A536 PolarHBondContact O-N 2.81Å; T532-L551 HydrophobicContact CG2-CB 4.35Å; T532-L551 HydrophobicContact CG2-CD2 3.91Å; T532-Q555 HydrophobicContact CG2-CG 3.55Å
533I82.9Confident82.2Confident5 Ų534.2 Ų34.23%0.02617%0.165CC..Hα-helixtrans-60.3-49.1170.7-62.7169.5000110L529 Y535 A536 I537 I557 I666L529-I533 HydrophobicContact CD1-CD1 3.97Å; L529-I533 HydrophobicContact CD1-CG1 4.21Å; L529-I533 HydrophobicContact CG-CD1 3.95Å; L529-I533 WeakPolarHBondContact O-CG1 3.14Å; L529-I533 PolarHBondContact O-N 3.07Å; I533-Y535 VanDerWaalsContact C-N 3.34Å; I533-Y535 PolarHBondContact O-N 2.96Å; I533-A536 PolarHBondContact O-N 3.49Å; I533-I537 HydrophobicContact CG2-CD1 3.96Å; I533-I537 WeakPolarHBondContact O-CG1 3.29Å; I533-I537 PolarHBondContact O-N 3.41Å; I533-I557 HydrophobicContact CB-CD1 4.43Å; I533-I557 HydrophobicContact CD1-CD1 4.46Å; I533-I557 HydrophobicContact CG1-CD1 3.77Å; I533-I557 HydrophobicContact CG2-CD1 4.19Å; I533-I666 HydrophobicContact CG2-CG2 4.43Å
534L84.8Confident82.7Confident51 Ų5137.9 Ų37.927%0.26718%0.182SC..Hα-helixtrans-62.5-38.4178.1-67169.4000112.5V503 F508 Q530 I531 H538V503-L534 HydrophobicContact CG1-CD1 3.94Å; F508-L534 HydrophobicContact CD1-CB 4.23Å; F508-L534 HydrophobicContact CE1-CB 3.56Å; F508-L534 HydrophobicContact CZ-CB 4.28Å; Q530-L534 WeakPolarHBondContact O-CG 3.28Å; Q530-L534 PolarHBondContact O-N 3.39Å; I531-L534 PolarHBondContact O-N 2.89Å; L534-H538 WeakPolarHBondContact O-CB 3.38Å; L534-H538 PolarHBondContact O-N 2.85Å
535Y88.1Confident83.3Confident33 Ų3335.9 Ų35.913%0.12917%0.17CC..Hα-helixtrans-63.8-42.2174.7-176.4-142.9000112.7F508 E509 I512 I531 T532 I533 H538 L539 L551F508-Y535 HydrophobicContact CB-CD1 4.45Å; F508-Y535 HydrophobicContact CB-CD2 3.44Å; F508-Y535 VanDerWaalsContact CB-CD2 3.44Å; F508-Y535 HydrophobicContact CB-CE2 4.22Å; F508-Y535 HydrophobicContact CB-CG 3.57Å; F508-Y535 AromaticContact CD2-CD2 3.84Å; F508-Y535 HydrophobicContact CD2-CD2 3.84Å; F508-Y535 HydrophobicContact CD2-CG 4.49Å; F508-Y535 AromaticContact CG-CD2 3.84Å; F508-Y535 HydrophobicContact CG-CD2 3.84Å; F508-Y535 HydrophobicContact CG-CG 4.09Å; E509-Y535 HydrophobicContact CG-CE1 4.27Å; E509-Y535 HydrophobicContact CG-CE2 4.05Å; E509-Y535 VanDerWaalsContact CG-OH 3.32Å; E509-Y535 WeakPolarHBondContact CG-OH 3.49Å; E509-Y535 PolarHBondContact OE1-OH 3.33Å; I512-Y535 HydrophobicContact CD1-CD1 3.97Å; I512-Y535 HydrophobicContact CD1-CG 4.44Å; I531-Y535 WeakPolarHBondContact O-CB 3.27Å; I531-Y535 PolarHBondContact O-N 3.49Å; T532-Y535 PolarHBondContact O-N 3.43Å; I533-Y535 VanDerWaalsContact C-N 3.34Å; I533-Y535 PolarHBondContact O-N 2.96Å; Y535-H538 WeakPolarHBondContact O-CB 3.42Å; Y535-H538 PolarHBondContact O-N 3.44Å; Y535-L539 HydrophobicContact CD1-CD1 4.15Å; Y535-L539 HydrophobicContact CD2-CD1 3.94Å; Y535-L539 HydrophobicContact CD2-CG 4.11Å; Y535-L539 HydrophobicContact CE1-CD1 3.81Å; Y535-L539 HydrophobicContact CE2-CD1 3.63Å; Y535-L539 HydrophobicContact CE2-CD2 4.28Å; Y535-L539 HydrophobicContact CE2-CG 3.85Å; Y535-L539 HydrophobicContact CG-CD1 4.21Å; Y535-L539 WeakPolarHBondContact O-CG 3.31Å; Y535-L539 PolarHBondContact O-N 3.28Å; Y535-L551 HydrophobicContact CD1-CD1 3.39Å; Y535-L551 HydrophobicContact CD1-CD2 4.36Å; Y535-L551 HydrophobicContact CE1-CD1 3.61Å; Y535-L551 HydrophobicContact CE1-CD2 4.46Å; Y535-L551 HydrophobicContact CG-CD1 4.17Å
536A85.5Confident83.8Confident0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-67.9-39.4179.200000112T532 I533 L539 Y540 A548 L551 F552T532-A536 WeakPolarHBondContact O-CB 3.13Å; T532-A536 PolarHBondContact O-N 2.81Å; I533-A536 PolarHBondContact O-N 3.49Å; A536-L539 PolarHBondContact O-N 3.27Å; A536-Y540 WeakPolarHBondContact O-CB 3.31Å; A536-Y540 PolarHBondContact O-N 3.01Å; A536-A548 WeakPolarHBondContact O-CB 3.44Å; A536-L551 HydrophobicContact CB-CB 3.79Å; A536-L551 HydrophobicContact CB-CD1 4.12Å; A536-F552 HydrophobicContact CB-CD1 3.39Å; A536-F552 HydrophobicContact CB-CE1 3.22Å; A536-F552 HydrophobicContact CB-CG 4.19Å; A536-F552 HydrophobicContact CB-CZ 3.84Å
537I84.1Confident84Confident31 Ų3143.9 Ų43.916%0.15921%0.212CC..Hα-helixtrans-62.3-43.3170.6-65.5166.9000110.6I533 L539 Y540 H541 F552 I666I533-I537 HydrophobicContact CG2-CD1 3.96Å; I533-I537 WeakPolarHBondContact O-CG1 3.29Å; I533-I537 PolarHBondContact O-N 3.41Å; I537-L539 PolarHBondContact O-N 2.93Å; I537-Y540 WeakPolarHBondContact O-CB 3.3Å; I537-Y540 PolarHBondContact O-N 3.06Å; I537-H541 PolarHBondContact O-CD2 3.48Å; I537-H541 PolarHBondContact O-N 3.09Å; I537-H541 VanDerWaalsContact O-N 3.08Å; I537-F552 HydrophobicContact CG1-CE1 4.26Å; I537-F552 HydrophobicContact CG1-CZ 4.15Å; I537-I666 HydrophobicContact CD1-CG2 4.14Å
538H86.1Confident84.4Confident37 Ų3741.7 Ų41.717%0.17120%0.202CC..Hα-helixtrans-60.4-46.5175.4-167.1-68.2000112.2K506 F508 L534 Y535 Y540 H541 E542K506-H538 VanDerWaalsContact CD-NE2 3.32Å; K506-H538 WeakPolarHBondContact CD-NE2 3.26Å; K506-H538 WeakPolarHBondContact CE-NE2 3.41Å; K506-H538 PolarHBondContact NZ-NE2 3.13Å; F508-H538 HydrophobicContact CD2-CB 4.33Å; F508-H538 HydrophobicContact CE2-CB 3.75Å; F508-H538 AromaticContact CE2-CD2 3.61Å; F508-H538 AromaticContact CE2-CG 3.75Å; F508-H538 HydrophobicContact CZ-CB 4.35Å; L534-H538 WeakPolarHBondContact O-CB 3.38Å; L534-H538 PolarHBondContact O-N 2.85Å; Y535-H538 WeakPolarHBondContact O-CB 3.42Å; Y535-H538 PolarHBondContact O-N 3.44Å; H538-Y540 VanDerWaalsContact C-N 3.28Å; H538-Y540 PolarHBondContact O-N 3.19Å; H538-H541 PolarHBondContact O-N 2.9Å; H538-E542 IonicContact CE1-OE1 3.25Å; H538-E542 PolarHBondContact CE1-OE1 3.07Å; H538-E542 VanDerWaalsContact CE1-OE1 3.22Å; H538-E542 IonicContact ND1-OE1 2.77Å; H538-E542 IonicContact NE2-OE1 2.73Å; H538-E542 WeakPolarHBondContact O-CG 3.48Å; H538-E542 PolarHBondContact O-N 3.14Å
539L86Confident84.6Confident13 Ų1340.8 Ų40.87%0.06820%0.196CC..Hα-helixtrans-64.2-31.7177.3-77.4165.9000112.9Y535 A536 I537 E542 K543 H544 K547 A548 L551Y535-L539 HydrophobicContact CD1-CD1 4.15Å; Y535-L539 HydrophobicContact CD2-CD1 3.94Å; Y535-L539 HydrophobicContact CD2-CG 4.11Å; Y535-L539 HydrophobicContact CE1-CD1 3.81Å; Y535-L539 HydrophobicContact CE2-CD1 3.63Å; Y535-L539 HydrophobicContact CE2-CD2 4.28Å; Y535-L539 HydrophobicContact CE2-CG 3.85Å; Y535-L539 HydrophobicContact CG-CD1 4.21Å; Y535-L539 WeakPolarHBondContact O-CG 3.31Å; Y535-L539 PolarHBondContact O-N 3.28Å; A536-L539 PolarHBondContact O-N 3.27Å; I537-L539 PolarHBondContact O-N 2.93Å; L539-E542 CarbonylContact O-C 3.45Å; L539-E542 PolarHBondContact O-N 3.27Å; L539-K543 PolarHBondContact O-N 3.44Å; L539-H544 HydrophobicContact CB-CB 4.36Å; L539-H544 HydrophobicContact CD2-CB 3.91Å; L539-H544 WeakPolarHBondContact O-CA 3.47Å; L539-H544 WeakPolarHBondContact O-CB 3.39Å; L539-H544 PolarHBondContact O-N 3.26Å; L539-K547 HydrophobicContact CD1-CB 3.88Å; L539-K547 HydrophobicContact CD2-CB 4.4Å; L539-K547 HydrophobicContact CD2-CD 4.33Å; L539-A548 HydrophobicContact CB-CB 3.98Å; L539-L551 HydrophobicContact CD1-CD1 3.46Å; L539-L551 VanDerWaalsContact CD1-CD1 3.46Å
540Y84.4Confident84.9Confident10 Ų1043 Ų434%0.03921%0.208CC..Hα-helixtrans-64.5-44.8172.4167.8-87.1000111.3A536 I537 H538 E542 K543 Y545 L565 F566 I584 N585 I587A536-Y540 WeakPolarHBondContact O-CB 3.31Å; A536-Y540 PolarHBondContact O-N 3.01Å; I537-Y540 WeakPolarHBondContact O-CB 3.3Å; I537-Y540 PolarHBondContact O-N 3.06Å; H538-Y540 VanDerWaalsContact C-N 3.28Å; H538-Y540 PolarHBondContact O-N 3.19Å; Y540-E542 PolarHBondContact O-N 3.1Å; Y540-K543 WeakPolarHBondContact O-CA 3.39Å; Y540-K543 PolarHBondContact O-N 3.01Å; Y540-Y545 HydrophobicContact CD2-CD1 4.08Å; Y540-Y545 HydrophobicContact CD2-CE1 4.16Å; Y540-Y545 HydrophobicContact CE2-CE1 4.36Å; Y540-L565 HydrophobicContact CD2-CD1 4.07Å; Y540-L565 HydrophobicContact CE2-CB 3.76Å; Y540-L565 HydrophobicContact CE2-CD1 3.91Å; Y540-L565 HydrophobicContact CE2-CG 4.37Å; Y540-L565 PolarHBondContact OH-O 3.46Å; Y540-F566 HydrophobicContact CE2-CE1 4.45Å; Y540-F566 HydrophobicContact CE2-CZ 4.29Å; Y540-I584 HydrophobicContact CE1-CG2 4.03Å; Y540-N585 PolarHBondContact OH-O 2.96Å; Y540-I587 HydrophobicContact CD2-CD1 4.4Å; Y540-I587 HydrophobicContact CE2-CD1 3.45Å; Y540-I587 VanDerWaalsContact CE2-CD1 3.45Å; Y540-I587 HydrophobicContact CE2-CG1 4.14Å; Y540-I587 WeakPolarHBondContact OH-CG1 3.38Å
541H83.4Confident85.2Confident77 Ų7742.8 Ų42.836%0.35621%0.207SC..Hα-helixtrans-64.4-35.8173.8-69.4-66.6000113.3I537 H538 K543I537-H541 PolarHBondContact O-CD2 3.48Å; I537-H541 PolarHBondContact O-N 3.09Å; I537-H541 VanDerWaalsContact O-N 3.08Å; H538-H541 PolarHBondContact O-N 2.9Å; H541-K543 PolarHBondContact O-N 3.05Å; H541-K543 VanDerWaalsContact O-N 3.17Å
542E84.2Confident85.2Confident104 Ų10442.9 Ų42.949%0.48621%0.208SC..THydrogen-bonded Turntrans-75.512172.3-59.7-67.115600113.1H538 L539 Y540 H544H538-E542 IonicContact CE1-OE1 3.25Å; H538-E542 PolarHBondContact CE1-OE1 3.07Å; H538-E542 VanDerWaalsContact CE1-OE1 3.22Å; H538-E542 IonicContact ND1-OE1 2.77Å; H538-E542 IonicContact NE2-OE1 2.73Å; H538-E542 WeakPolarHBondContact O-CG 3.48Å; H538-E542 PolarHBondContact O-N 3.14Å; L539-E542 CarbonylContact O-C 3.45Å; L539-E542 PolarHBondContact O-N 3.27Å; Y540-E542 PolarHBondContact O-N 3.1Å; E542-H544 PolarHBondContact O-N 3.5Å; E542-H544 VanDerWaalsContact O-N 3.09Å; E542-H544 PolarHBondContact O-ND1 3.3Å
543K83.2Confident85.2Confident121 Ų12143.4 Ų43.453%0.52621%0.211SC..THydrogen-bonded Turntrans58.718.9179.3-47.1-171.2-173.4-170.60114.8L539 Y540 H541 Y545 E591L539-K543 PolarHBondContact O-N 3.44Å; Y540-K543 WeakPolarHBondContact O-CA 3.39Å; Y540-K543 PolarHBondContact O-N 3.01Å; H541-K543 PolarHBondContact O-N 3.05Å; H541-K543 VanDerWaalsContact O-N 3.17Å; K543-Y545 VanDerWaalsContact C-N 3.27Å; K543-Y545 HydrophobicContact CB-CE2 4.34Å; K543-Y545 PolarHBondContact O-N 3.04Å; K543-Y545 VanDerWaalsContact O-N 3.14Å; K543-E591 WeakPolarHBondContact CE-OE1 3.46Å; K543-E591 IonicContact NZ-OE1 3.78Å; K543-E591 PolarHBondContact NZ-OE1 3.12Å
544H85.8Confident85.1Confident95 Ų9549.7 Ų49.744%0.4424%0.24SC..  trans-8955.6178.2-71.5-13.6000111.7L539 E542 S546 K547 A548L539-H544 HydrophobicContact CB-CB 4.36Å; L539-H544 HydrophobicContact CD2-CB 3.91Å; L539-H544 WeakPolarHBondContact O-CA 3.47Å; L539-H544 WeakPolarHBondContact O-CB 3.39Å; L539-H544 PolarHBondContact O-N 3.26Å; E542-H544 PolarHBondContact O-N 3.5Å; E542-H544 VanDerWaalsContact O-N 3.09Å; E542-H544 PolarHBondContact O-ND1 3.3Å; H544-S546 VanDerWaalsContact C-N 3.3Å; H544-S546 PolarHBondContact O-N 3.31Å; H544-S546 VanDerWaalsContact O-N 3.17Å; H544-K547 PolarHBondContact O-N 2.92Å; H544-A548 PolarHBondContact O-N 2.99Å
545Y86.1Confident84.9Confident17 Ų1748.5 Ų48.57%0.06723%0.234CC..Hα-helixtrans-54.5-38.6-170-52.9-51.7000114.3Y540 K543 K547 A548 L549 I587 A595Y540-Y545 HydrophobicContact CD2-CD1 4.08Å; Y540-Y545 HydrophobicContact CD2-CE1 4.16Å; Y540-Y545 HydrophobicContact CE2-CE1 4.36Å; K543-Y545 VanDerWaalsContact C-N 3.27Å; K543-Y545 HydrophobicContact CB-CE2 4.34Å; K543-Y545 PolarHBondContact O-N 3.04Å; K543-Y545 VanDerWaalsContact O-N 3.14Å; Y545-K547 PolarHBondContact O-N 3.42Å; Y545-A548 PolarHBondContact O-N 3.44Å; Y545-L549 VanDerWaalsContact O-CB 3.28Å; Y545-L549 WeakPolarHBondContact O-CB 3.41Å; Y545-L549 VanDerWaalsContact O-CG 3.27Å; Y545-L549 WeakPolarHBondContact O-CG 3.44Å; Y545-L549 PolarHBondContact O-N 3.47Å; Y545-I587 HydrophobicContact CD1-CD1 4.29Å; Y545-I587 HydrophobicContact CE1-CD1 3.58Å; Y545-I587 HydrophobicContact CE1-CG1 4.28Å; Y545-A595 HydrophobicContact CD2-CB 3.85Å; Y545-A595 HydrophobicContact CE2-CB 4.12Å; Y545-A595 HydrophobicContact CG-CB 4.3Å
546S85.2Confident84.5Confident65 Ų6549.6 Ų49.646%0.45524%0.241SC..Hα-helixtrans-62.2-43177.854.20000112.8H544 N550H544-S546 VanDerWaalsContact C-N 3.3Å; H544-S546 PolarHBondContact O-N 3.31Å; H544-S546 VanDerWaalsContact O-N 3.17Å; S546-N550 WeakPolarHBondContact O-CB 3.47Å; S546-N550 PolarHBondContact O-N 2.86Å; S546-N550 VanDerWaalsContact O-N 3.16Å; S546-N550 PolarHBondContact O-ND2 3.2Å; S546-N550 PolarHBondContact O-OD1 3.2Å
547K84.3Confident84.4Confident115 Ų11549.6 Ų49.650%0.524%0.241SC..Hα-helixtrans-69-44.1175.6-65.2-175.5175.2-178.60111.2L539 H544 Y545 N550 L551L539-K547 HydrophobicContact CD1-CB 3.88Å; L539-K547 HydrophobicContact CD2-CB 4.4Å; L539-K547 HydrophobicContact CD2-CD 4.33Å; H544-K547 PolarHBondContact O-N 2.92Å; Y545-K547 PolarHBondContact O-N 3.42Å; K547-N550 PolarHBondContact O-N 3.35Å; K547-L551 WeakPolarHBondContact O-CG 3.46Å; K547-L551 PolarHBondContact O-N 2.92Å; K547-L551 VanDerWaalsContact O-N 3.13Å
548A87.6Confident84.2Confident1 Ų148.3 Ų48.31%0.00824%0.235CC..Hα-helixtrans-60.1-50.2178.800000112.5A536 L539 H544 Y545 N550 L551 F552A536-A548 WeakPolarHBondContact O-CB 3.44Å; L539-A548 HydrophobicContact CB-CB 3.98Å; H544-A548 PolarHBondContact O-N 2.99Å; Y545-A548 PolarHBondContact O-N 3.44Å; A548-N550 PolarHBondContact O-N 3.08Å; A548-L551 PolarHBondContact O-N 2.85Å; A548-F552 WeakPolarHBondContact O-CD2 3.44Å; A548-F552 WeakPolarHBondContact O-CG 3.25Å; A548-F552 PolarHBondContact O-N 3.13Å
549L86.6Confident84Confident4 Ų446.5 Ų46.52%0.02123%0.226CC..Hα-helixtrans-66.5-35.6-179.6-71.2167.8000112.7Y545 F552 T553 V562 F566 P598 L599 Y602Y545-L549 VanDerWaalsContact O-CB 3.28Å; Y545-L549 WeakPolarHBondContact O-CB 3.41Å; Y545-L549 VanDerWaalsContact O-CG 3.27Å; Y545-L549 WeakPolarHBondContact O-CG 3.44Å; Y545-L549 PolarHBondContact O-N 3.47Å; L549-F552 HydrophobicContact CD2-CD2 4.33Å; L549-F552 PolarHBondContact O-N 3.39Å; L549-T553 PolarHBondContact O-N 2.86Å; L549-T553 PolarHBondContact O-OG1 3.41Å; L549-V562 HydrophobicContact CD2-CG1 3.48Å; L549-V562 VanDerWaalsContact CD2-CG1 3.48Å; L549-F566 HydrophobicContact CD1-CZ 4.47Å; L549-F566 HydrophobicContact CD2-CE2 4.21Å; L549-F566 HydrophobicContact CD2-CZ 4.38Å; L549-P598 HydrophobicContact CD1-CB 3.69Å; L549-L599 HydrophobicContact CD1-CB 4.48Å; L549-Y602 HydrophobicContact CB-CD2 3.94Å; L549-Y602 HydrophobicContact CB-CG 4.35Å; L549-Y602 HydrophobicContact CD2-CD1 4.39Å; L549-Y602 HydrophobicContact CD2-CD2 3.81Å; L549-Y602 HydrophobicContact CD2-CE2 4.25Å; L549-Y602 HydrophobicContact CD2-CG 3.9Å; L549-Y602 HydrophobicContact CG-CD2 4.47Å; L549-Y602 WeakPolarHBondContact O-CD2 3.48Å
550N86.2Confident83.9Confident89 Ų8947.1 Ų47.148%0.47623%0.229SC..Hα-helixtrans-60.8-47.8172.5-76.1-7.5000111S546 K547 A548 F552 T553 E554S546-N550 WeakPolarHBondContact O-CB 3.47Å; S546-N550 PolarHBondContact O-N 2.86Å; S546-N550 VanDerWaalsContact O-N 3.16Å; S546-N550 PolarHBondContact O-ND2 3.2Å; S546-N550 PolarHBondContact O-OD1 3.2Å; K547-N550 PolarHBondContact O-N 3.35Å; A548-N550 PolarHBondContact O-N 3.08Å; N550-F552 PolarHBondContact O-N 2.85Å; N550-T553 WeakPolarHBondContact O-CA 3.48Å; N550-T553 WeakPolarHBondContact O-CB 3.35Å; N550-T553 PolarHBondContact O-N 3Å; N550-T553 VanDerWaalsContact O-N 3.09Å; N550-E554 PolarHBondContact O-N 3.17Å
551L85Confident83.6Confident25 Ų2547.5 Ų47.513%0.13123%0.231CC..Hα-helixtrans-63-42177.1-66.1166.5000112.4T532 Y535 A536 L539 K547 A548 T553 E554 Q555T532-L551 HydrophobicContact CG2-CB 4.35Å; T532-L551 HydrophobicContact CG2-CD2 3.91Å; Y535-L551 HydrophobicContact CD1-CD1 3.39Å; Y535-L551 HydrophobicContact CD1-CD2 4.36Å; Y535-L551 HydrophobicContact CE1-CD1 3.61Å; Y535-L551 HydrophobicContact CE1-CD2 4.46Å; Y535-L551 HydrophobicContact CG-CD1 4.17Å; A536-L551 HydrophobicContact CB-CB 3.79Å; A536-L551 HydrophobicContact CB-CD1 4.12Å; L539-L551 HydrophobicContact CD1-CD1 3.46Å; L539-L551 VanDerWaalsContact CD1-CD1 3.46Å; K547-L551 WeakPolarHBondContact O-CG 3.46Å; K547-L551 PolarHBondContact O-N 2.92Å; K547-L551 VanDerWaalsContact O-N 3.13Å; A548-L551 PolarHBondContact O-N 2.85Å; L551-T553 PolarHBondContact O-N 3.33Å; L551-E554 PolarHBondContact O-N 3.35Å; L551-Q555 WeakPolarHBondContact O-CG 3.34Å; L551-Q555 PolarHBondContact O-N 3.37Å
552F85.2Confident83.5Confident2 Ų243.8 Ų43.81%0.00921%0.214CC..Hα-helixtrans-60.1-31.4173.6-68-31.8000112.6A536 I537 A548 L549 N550 L556 I557 V562 L565 Y602A536-F552 HydrophobicContact CB-CD1 3.39Å; A536-F552 HydrophobicContact CB-CE1 3.22Å; A536-F552 HydrophobicContact CB-CG 4.19Å; A536-F552 HydrophobicContact CB-CZ 3.84Å; I537-F552 HydrophobicContact CG1-CE1 4.26Å; I537-F552 HydrophobicContact CG1-CZ 4.15Å; A548-F552 WeakPolarHBondContact O-CD2 3.44Å; A548-F552 WeakPolarHBondContact O-CG 3.25Å; A548-F552 PolarHBondContact O-N 3.13Å; L549-F552 HydrophobicContact CD2-CD2 4.33Å; L549-F552 PolarHBondContact O-N 3.39Å; N550-F552 PolarHBondContact O-N 2.85Å; F552-L556 PolarHBondContact O-N 3.19Å; F552-I557 HydrophobicContact CD1-CD1 3.39Å; F552-I557 HydrophobicContact CD1-CG1 4.36Å; F552-I557 HydrophobicContact CE1-CD1 3.9Å; F552-I557 HydrophobicContact CG-CD1 4.29Å; F552-I557 PolarHBondContact O-N 2.88Å; F552-I557 VanDerWaalsContact O-N 3.08Å; F552-V562 HydrophobicContact CB-CG2 4.16Å; F552-V562 HydrophobicContact CD2-CG1 3.89Å; F552-V562 HydrophobicContact CD2-CG2 3.95Å; F552-V562 HydrophobicContact CE2-CG1 4.42Å; F552-V562 HydrophobicContact CE2-CG2 4.5Å; F552-V562 HydrophobicContact CG-CG2 4.11Å; F552-L565 HydrophobicContact CE2-CD1 4.1Å; F552-L565 HydrophobicContact CZ-CD1 4.46Å; F552-Y602 HydrophobicContact CB-CE2 4.13Å
553T83.8Confident83.5Confident16 Ų1638.9 Ų38.910%0.09819%0.191CC..Hα-helixtrans-75.7-45.2174.1-49.80000111.8L549 N550 L551 Q555 L556 Y602 T605 L609L549-T553 PolarHBondContact O-N 2.86Å; L549-T553 PolarHBondContact O-OG1 3.41Å; N550-T553 WeakPolarHBondContact O-CA 3.48Å; N550-T553 WeakPolarHBondContact O-CB 3.35Å; N550-T553 PolarHBondContact O-N 3Å; N550-T553 VanDerWaalsContact O-N 3.09Å; L551-T553 PolarHBondContact O-N 3.33Å; T553-Q555 PolarHBondContact O-N 2.97Å; T553-L556 PolarHBondContact O-N 3.01Å; T553-L556 VanDerWaalsContact O-N 3.1Å; T553-Y602 WeakPolarHBondContact OG1-CD2 3.49Å; T553-Y602 WeakPolarHBondContact OG1-CE2 3.47Å; T553-T605 HydrophobicContact CG2-CG2 3.81Å; T553-L609 HydrophobicContact CG2-CD1 4.04Å
554E82.2Confident83.3Confident137 Ų13734.2 Ų34.264%0.6417%0.172SC*.Hα-helixtrans-59.1-35.3176.8-73.3-166.9164.200112.7N550 L551N550-E554 PolarHBondContact O-N 3.17Å; L551-E554 PolarHBondContact O-N 3.35Å
555Q79Confident82.9Confident27 Ų2730 Ų3013%0.12615%0.153CC..THydrogen-bonded Turntrans-90.44.5179-58.9-47.8-79.800113.9L529 T532 L551 T553 I557 Y664L529-Q555 HydrophobicContact CD1-CB 3.76Å; L529-Q555 HydrophobicContact CD1-CG 4.11Å; T532-Q555 HydrophobicContact CG2-CG 3.55Å; L551-Q555 WeakPolarHBondContact O-CG 3.34Å; L551-Q555 PolarHBondContact O-N 3.37Å; T553-Q555 PolarHBondContact O-N 2.97Å; Q555-I557 VanDerWaalsContact C-N 3.26Å; Q555-I557 HydrophobicContact CB-CG1 4.22Å; Q555-I557 PolarHBondContact O-N 3.43Å; Q555-Y664 WeakPolarHBondContact O-CD2 3.44Å
556L81.6Confident82.5Confident55 Ų5529.5 Ų29.529%0.28815%0.151SC..THydrogen-bonded Turntrans49.442.4-179.3-60.7176.1000113.8F552 T553 W606 L609 F661 C663 Y664F552-L556 PolarHBondContact O-N 3.19Å; T553-L556 PolarHBondContact O-N 3.01Å; T553-L556 VanDerWaalsContact O-N 3.1Å; L556-W606 HydrophobicContact CB-CH2 4.29Å; L556-W606 HydrophobicContact CD2-CH2 4.01Å; L556-W606 HydrophobicContact CD2-CZ2 4.3Å; L556-L609 HydrophobicContact CD2-CD1 4.35Å; L556-F661 HydrophobicContact CD2-CZ 4.44Å; L556-C663 VanDerWaalsContact O-CA 3.28Å; L556-C663 WeakPolarHBondContact O-CA 3.11Å; L556-C663 WeakPolarHBondContact O-CB 3.32Å; L556-Y664 PolarHBondContact O-N 3.25Å
557I82.1Confident81.9Confident1 Ų128.8 Ų28.81%0.00515%0.145CC..BIsolated β-bridgetrans-66.3137.7174.3-57.1-166.3000109.3I533 F552 Q555 P559 V562 W606 I666I533-I557 HydrophobicContact CB-CD1 4.43Å; I533-I557 HydrophobicContact CD1-CD1 4.46Å; I533-I557 HydrophobicContact CG1-CD1 3.77Å; I533-I557 HydrophobicContact CG2-CD1 4.19Å; F552-I557 HydrophobicContact CD1-CD1 3.39Å; F552-I557 HydrophobicContact CD1-CG1 4.36Å; F552-I557 HydrophobicContact CE1-CD1 3.9Å; F552-I557 HydrophobicContact CG-CD1 4.29Å; F552-I557 PolarHBondContact O-N 2.88Å; F552-I557 VanDerWaalsContact O-N 3.08Å; Q555-I557 VanDerWaalsContact C-N 3.26Å; Q555-I557 HydrophobicContact CB-CG1 4.22Å; Q555-I557 PolarHBondContact O-N 3.43Å; I557-P559 WeakPolarHBondContact O-CD 3.22Å; I557-P559 VanDerWaalsContact O-N 3.13Å; I557-V562 HydrophobicContact CB-CG2 4.46Å; I557-V562 HydrophobicContact CG2-CG2 4.08Å; I557-W606 WeakPolarHBondContact O-CZ2 3.45Å; I557-I666 HydrophobicContact CD1-CG1 4.35Å; I557-I666 HydrophobicContact CG2-CD1 3.95Å; I557-I666 HydrophobicContact CG2-CG1 3.49Å; I557-I666 VanDerWaalsContact CG2-CG1 3.49Å
558N80.4Confident81.2Confident3 Ų325.7 Ų25.72%0.01615%0.146CC..  trans-50.3116175.8-179.5-7.8000111.2I560 H561 C663 Y664 M672 M674N558-I560 PolarHBondContact O-N 3.11Å; N558-I560 WeakPolarHBondContact OD1-CB 3.49Å; N558-I560 PolarHBondContact OD1-N 3.21Å; N558-H561 PolarHBondContact O-N 2.71Å; N558-C663 HydrophobicContact CB-CB 4.26Å; N558-Y664 PolarHBondContact N-O 3.39Å; N558-M672 HydrophobicContact CB-SD 4.3Å; N558-M672 PolarHBondContact ND2-SD 3.13Å; N558-M672 VanDerWaalsContact ND2-SD 3.35Å; N558-M674 PolarHBondContact OD1-SD 3.03Å
559P82.5Confident80.6Confident0 Ų026.2 Ų26.20%015%0.148CC..Hα-helixtrans-56.8-22.1-179.2-31.339.3000115.7I557 V562 L563 Y602 W606 L679I557-P559 WeakPolarHBondContact O-CD 3.22Å; I557-P559 VanDerWaalsContact O-N 3.13Å; P559-V562 PolarHBondContact O-N 3.22Å; P559-L563 WeakPolarHBondContact O-CB 3.16Å; P559-L563 WeakPolarHBondContact O-CG 3.5Å; P559-L563 PolarHBondContact O-N 2.85Å; P559-Y602 WeakPolarHBondContact CA-OH 3.34Å; P559-Y602 HydrophobicContact CB-CE1 4.24Å; P559-W606 HydrophobicContact CG-CD2 3.6Å; P559-W606 HydrophobicContact CG-CE3 3.82Å; P559-W606 HydrophobicContact CG-CG 4.14Å; P559-W606 HydrophobicContact CG-CH2 4.01Å; P559-W606 HydrophobicContact CG-CZ2 3.8Å; P559-W606 HydrophobicContact CG-CZ3 4.01Å; P559-L679 HydrophobicContact CB-CD1 4.04Å; P559-L679 HydrophobicContact CG-CD1 3.85Å
560I82.2Confident79.8Confident25 Ų2526.4 Ų26.413%0.12815%0.149CC..Hα-helixtrans-56.5-51.7171.5-67.8173.8000110.2N558 V562 L563 D564 L570 I578 M674 L682N558-I560 PolarHBondContact O-N 3.11Å; N558-I560 WeakPolarHBondContact OD1-CB 3.49Å; N558-I560 PolarHBondContact OD1-N 3.21Å; I560-V562 PolarHBondContact O-N 3Å; I560-V562 VanDerWaalsContact O-N 3.15Å; I560-L563 PolarHBondContact O-N 3.18Å; I560-D564 VanDerWaalsContact O-CB 3.31Å; I560-D564 WeakPolarHBondContact O-CB 3.42Å; I560-D564 PolarHBondContact O-N 2.91Å; I560-L570 HydrophobicContact CG2-CD1 4.29Å; I560-I578 HydrophobicContact CG2-CD1 3.55Å; I560-I578 HydrophobicContact CG2-CG1 4.46Å; I560-M674 HydrophobicContact CD1-CE 3.6Å; I560-M674 HydrophobicContact CD1-SD 4.11Å; I560-M674 HydrophobicContact CG1-CE 4.37Å; I560-L682 HydrophobicContact CD1-CD1 3.86Å; I560-L682 HydrophobicContact CG1-CD1 3.62Å
561H79Confident78.9Confident18 Ų1823.1 Ų23.18%0.08313%0.133CC..Hα-helixtrans-68.4-13.4-179.1-58.2-47.3000114.1N558 S665 I666N558-H561 PolarHBondContact O-N 2.71Å; H561-S665 PolarHBondContact NE2-OG 3.01Å; H561-I666 HydrophobicContact CB-CB 4.44Å; H561-I666 HydrophobicContact CB-CD1 3.63Å; H561-I666 HydrophobicContact CB-CG1 3.78Å
562V82.1Confident77.8Confident0 Ų027.9 Ų27.90%016%0.159CC..Hα-helixtrans-95.2-36176.6179.90000110.7L549 F552 I557 P559 I560 L565 F566 Y602L549-V562 HydrophobicContact CD2-CG1 3.48Å; L549-V562 VanDerWaalsContact CD2-CG1 3.48Å; F552-V562 HydrophobicContact CB-CG2 4.16Å; F552-V562 HydrophobicContact CD2-CG1 3.89Å; F552-V562 HydrophobicContact CD2-CG2 3.95Å; F552-V562 HydrophobicContact CE2-CG1 4.42Å; F552-V562 HydrophobicContact CE2-CG2 4.5Å; F552-V562 HydrophobicContact CG-CG2 4.11Å; I557-V562 HydrophobicContact CB-CG2 4.46Å; I557-V562 HydrophobicContact CG2-CG2 4.08Å; P559-V562 PolarHBondContact O-N 3.22Å; I560-V562 PolarHBondContact O-N 3Å; I560-V562 VanDerWaalsContact O-N 3.15Å; V562-L565 WeakPolarHBondContact O-CB 3.37Å; V562-L565 PolarHBondContact O-N 3.33Å; V562-F566 HydrophobicContact CG1-CE2 4.44Å; V562-F566 WeakPolarHBondContact O-CD2 3.38Å; V562-F566 VanDerWaalsContact O-CE2 3.31Å; V562-F566 WeakPolarHBondContact O-CE2 3.36Å; V562-Y602 HydrophobicContact CB-CE1 4.36Å; V562-Y602 HydrophobicContact CG1-CE1 4.02Å; V562-Y602 HydrophobicContact CG1-CE2 4.15Å; V562-Y602 WeakPolarHBondContact CG2-OH 3.36Å
563L83Confident76.5Confident0 Ų035.4 Ų35.40%019%0.194CC..Hα-helixtrans-70.2-32173.9-74.8167.1000112.6P559 I560 L565 F566 M569 L570 L599 L603P559-L563 WeakPolarHBondContact O-CB 3.16Å; P559-L563 WeakPolarHBondContact O-CG 3.5Å; P559-L563 PolarHBondContact O-N 2.85Å; I560-L563 PolarHBondContact O-N 3.18Å; L563-L565 PolarHBondContact O-N 3.4Å; L563-F566 PolarHBondContact O-N 2.65Å; L563-M569 HydrophobicContact CB-CB 4.42Å; L563-M569 HydrophobicContact CD2-CB 4.05Å; L563-M569 HydrophobicContact CD2-CG 4.28Å; L563-L570 HydrophobicContact CB-CD2 3.84Å; L563-L570 HydrophobicContact CB-CG 4.08Å; L563-L570 HydrophobicContact CD1-CD2 4.28Å; L563-L599 HydrophobicContact CD2-CD1 4.15Å; L563-L603 HydrophobicContact CD2-CD2 4.27Å
564D79.7Confident75.3Confident24 Ų2435.6 Ų35.613%0.12819%0.194CC..THydrogen-bonded Turntrans-58.8-24.2174.4-164.946.4000113.3I560 F566 L570 I578 H580I560-D564 VanDerWaalsContact O-CB 3.31Å; I560-D564 WeakPolarHBondContact O-CB 3.42Å; I560-D564 PolarHBondContact O-N 2.91Å; D564-F566 PolarHBondContact O-N 3.45Å; D564-L570 HydrophobicContact CB-CD1 3.79Å; D564-I578 HydrophobicContact CB-CD1 3.99Å; D564-I578 WeakPolarHBondContact OD2-CG2 3.32Å; D564-H580 IonicContact OD2-CE1 3.5Å; D564-H580 PolarHBondContact OD2-CE1 3.42Å; D564-H580 IonicContact OD2-ND1 3.31Å
565L77.9Confident74.2Confident7 Ų733.1 Ų33.14%0.03718%0.182CC..THydrogen-bonded Turntrans-71.3-17.2173.8-55179.5000113.4Y540 F552 V562 L563 I584Y540-L565 HydrophobicContact CD2-CD1 4.07Å; Y540-L565 HydrophobicContact CE2-CB 3.76Å; Y540-L565 HydrophobicContact CE2-CD1 3.91Å; Y540-L565 HydrophobicContact CE2-CG 4.37Å; Y540-L565 PolarHBondContact OH-O 3.46Å; F552-L565 HydrophobicContact CE2-CD1 4.1Å; F552-L565 HydrophobicContact CZ-CD1 4.46Å; V562-L565 WeakPolarHBondContact O-CB 3.37Å; V562-L565 PolarHBondContact O-N 3.33Å; L563-L565 PolarHBondContact O-N 3.4Å; L565-I584 HydrophobicContact CD2-CG2 3.7Å
566F77.6Confident73Confident5 Ų539.7 Ų39.72%0.02221%0.212CC..SBendtrans-114.7105.8-174.7-59-78000110.5Y540 L549 V562 L563 D564 G568 M569 I587 M592 A595 L599Y540-F566 HydrophobicContact CE2-CE1 4.45Å; Y540-F566 HydrophobicContact CE2-CZ 4.29Å; L549-F566 HydrophobicContact CD1-CZ 4.47Å; L549-F566 HydrophobicContact CD2-CE2 4.21Å; L549-F566 HydrophobicContact CD2-CZ 4.38Å; V562-F566 HydrophobicContact CG1-CE2 4.44Å; V562-F566 WeakPolarHBondContact O-CD2 3.38Å; V562-F566 VanDerWaalsContact O-CE2 3.31Å; V562-F566 WeakPolarHBondContact O-CE2 3.36Å; L563-F566 PolarHBondContact O-N 2.65Å; D564-F566 PolarHBondContact O-N 3.45Å; F566-G568 PolarHBondContact O-N 3.28Å; F566-M569 HydrophobicContact CB-CG 3.8Å; F566-M569 WeakPolarHBondContact O-CB 3.42Å; F566-M569 WeakPolarHBondContact O-CG 3.26Å; F566-M569 PolarHBondContact O-N 3.33Å; F566-I587 HydrophobicContact CD1-CD1 3.73Å; F566-I587 HydrophobicContact CE1-CD1 3.43Å; F566-I587 VanDerWaalsContact CE1-CD1 3.43Å; F566-I587 HydrophobicContact CZ-CD1 4.37Å; F566-M592 HydrophobicContact CB-SD 4.49Å; F566-A595 HydrophobicContact CD1-CB 4.22Å; F566-A595 HydrophobicContact CE1-CB 3.73Å; F566-L599 HydrophobicContact CB-CD2 4.4Å; F566-L599 HydrophobicContact CD2-CD1 4.16Å; F566-L599 HydrophobicContact CD2-CD2 4.1Å; F566-L599 HydrophobicContact CE2-CD1 4.06Å; F566-L599 HydrophobicContact CG-CD2 4.09Å
567P72Confident71.7Confident50 Ų5044.1 Ų44.133%0.32523%0.232SC..THydrogen-bonded Turntrans-61138.4-171.523.1-33.4000112.7M569 I586 I587 M592P567-M569 VanDerWaalsContact C-N 3.34Å; P567-I586 HydrophobicContact CB-CG2 4.37Å; P567-I586 HydrophobicContact CG-CG2 4.18Å; P567-I587 WeakPolarHBondContact CG-O 3.4Å; P567-M592 HydrophobicContact CG-CE 4.37Å; P567-M592 HydrophobicContact CG-SD 3.91Å; P567-M592 WeakPolarHBondContact O-CE 3.45Å
568G70Confident70.4Confident50 Ų5045.1 Ų45.152%0.51524%0.237SC..THydrogen-bonded Turntrans83.2-3.6-179.500000115.8F566 K689F566-G568 PolarHBondContact O-N 3.28Å; G568-K689 PolarHBondContact O-NZ 2.98Å
569M74.2Confident68.9Low12 Ų1252.7 Ų52.76%0.05927%0.272CS..SBendtrans-74.9-41.3176.5-69.8-60102.800113.3L563 F566 P567 F596 L599 K689L563-M569 HydrophobicContact CB-CB 4.42Å; L563-M569 HydrophobicContact CD2-CB 4.05Å; L563-M569 HydrophobicContact CD2-CG 4.28Å; F566-M569 HydrophobicContact CB-CG 3.8Å; F566-M569 WeakPolarHBondContact O-CB 3.42Å; F566-M569 WeakPolarHBondContact O-CG 3.26Å; F566-M569 PolarHBondContact O-N 3.33Å; P567-M569 VanDerWaalsContact C-N 3.34Å; M569-F596 HydrophobicContact CE-CE1 4.22Å; M569-L599 HydrophobicContact CG-CD2 4.29Å; M569-L599 HydrophobicContact SD-CD2 4.27Å; M569-K689 HydrophobicContact CE-CB 4Å; M569-K689 HydrophobicContact CE-CD 4.36Å; M569-K689 PolarHBondContact O-NZ 2.95Å; M569-K689 HydrophobicContact SD-CB 4.33Å
570L70.6Confident67.3Low8 Ų856.5 Ų56.54%0.04229%0.29CS..SBendtrans-91.6154.3179.5-64.8-177.9000112.9I560 L563 D564 Q575 I578 L682I560-L570 HydrophobicContact CG2-CD1 4.29Å; L563-L570 HydrophobicContact CB-CD2 3.84Å; L563-L570 HydrophobicContact CB-CG 4.08Å; L563-L570 HydrophobicContact CD1-CD2 4.28Å; D564-L570 HydrophobicContact CB-CD1 3.79Å; L570-Q575 HydrophobicContact CB-CG 4.18Å; L570-Q575 PolarHBondContact O-NE2 3.32Å; L570-I578 HydrophobicContact CD1-CD1 3.88Å; L570-L682 HydrophobicContact CD2-CD2 4.04Å
571S66.6Low65.6Low21 Ų2157.9 Ų57.915%0.14730%0.3CS..  trans-71155.1174.270.40000112.3Q573 E574 Q575 E713S571-Q573 PolarHBondContact O-N 3.33Å; S571-Q573 VanDerWaalsContact O-N 3.12Å; S571-E574 PolarHBondContact O-N 3.23Å; S571-E574 WeakPolarHBondContact OG-CG 3.48Å; S571-E574 PolarHBondContact OG-OE2 3.06Å; S571-Q575 PolarHBondContact O-N 3.3Å; S571-E713 WeakPolarHBondContact CA-OE1 3.32Å; S571-E713 WeakPolarHBondContact CB-OE1 3.27Å
572D61.6Low64.1Low124 Ų12462.3 Ų62.366%0.66333%0.332SS*.Hα-helixtrans-55.2-33.1178.8-57.9-30.6000112.2E574 H576D572-E574 VanDerWaalsContact C-N 3.29Å; D572-E574 PolarHBondContact O-N 3.03Å; D572-H576 PolarHBondContact O-ND1 2.98Å
573Q58.5Low62.8Low161 Ų16169.6 Ų69.675%0.75237%0.371SS*.Hα-helixtrans-70.5-23.5-179.9-62.4-174.77.600113.5S571S571-Q573 PolarHBondContact O-N 3.33Å; S571-Q573 VanDerWaalsContact O-N 3.12Å
574E59.2Low61.7Low19 Ų1970.6 Ų70.69%0.08938%0.376CS..Hα-helixtrans-96.9-33.8-174-69.7173.7125.100112.2S571 D572 H576 Q577 K678S571-E574 PolarHBondContact O-N 3.23Å; S571-E574 WeakPolarHBondContact OG-CG 3.48Å; S571-E574 PolarHBondContact OG-OE2 3.06Å; D572-E574 VanDerWaalsContact C-N 3.29Å; D572-E574 PolarHBondContact O-N 3.03Å; E574-H576 PolarHBondContact O-N 2.86Å; E574-Q577 PolarHBondContact O-N 2.92Å; E574-Q577 VanDerWaalsContact O-N 3.15Å; E574-K678 WeakPolarHBondContact OE1-CE 3.47Å; E574-K678 IonicContact OE1-NZ 2.75Å; E574-K678 PolarHBondContact OE1-NZ 3.38Å
575Q57.9Low60.8Low85 Ų8575.2 Ų75.240%0.39740%0.401SS..Hα-helixtrans-55.7-38.9171.4-64.217130.500111.5L570 S571 Q577 I578L570-Q575 HydrophobicContact CB-CG 4.18Å; L570-Q575 PolarHBondContact O-NE2 3.32Å; S571-Q575 PolarHBondContact O-N 3.3Å; Q575-Q577 PolarHBondContact O-N 3Å; Q575-I578 PolarHBondContact O-N 3.28Å
576H54.1Low60.1Low165 Ų16579.9 Ų79.976%0.76443%0.425SS*.THydrogen-bonded Turntrans-68.30.9180-75.683.3000115.3D572 E574D572-H576 PolarHBondContact O-ND1 2.98Å; E574-H576 PolarHBondContact O-N 2.86Å
577Q53.4Low59.8Low149 Ų14980.2 Ų80.270%0.69643%0.427SS*.THydrogen-bonded Turntrans-110.44.2179.9-58.3-173.19.500113.7E574 Q575E574-Q577 PolarHBondContact O-N 2.92Å; E574-Q577 VanDerWaalsContact O-N 3.15Å; Q575-Q577 PolarHBondContact O-N 3Å
578I56Low59.4Low21 Ų2180.2 Ų80.211%0.10843%0.428CS..  trans-125.275.2-165.3-42.2168.1000113.3I560 D564 L570 Q575 H580I560-I578 HydrophobicContact CG2-CD1 3.55Å; I560-I578 HydrophobicContact CG2-CG1 4.46Å; D564-I578 HydrophobicContact CB-CD1 3.99Å; D564-I578 WeakPolarHBondContact OD2-CG2 3.32Å; L570-I578 HydrophobicContact CD1-CD1 3.88Å; Q575-I578 PolarHBondContact O-N 3.28Å; I578-H580 PolarHBondContact O-N 3Å
579E49Very low59.1Low163 Ų16382.6 Ų82.676%0.76244%0.437SS*.PPolyproline II helixtrans-63.4119.3164.8-53.3168.7137.300111.2K667E579-K667 VanDerWaalsContact N-NZ 3.11Å; E579-K667 VanDerWaalsContact O-CD 3.24Å; E579-K667 WeakPolarHBondContact O-CD 3.2Å; E579-K667 WeakPolarHBondContact O-CE 3.34Å; E579-K667 PolarHBondContact O-NZ 2.92Å
580H48.3Very low58.7Low80 Ų8086.2 Ų86.237%0.3746%0.463SS..PPolyproline II helixtrans-74.3145.2179.9-53.9-68.1000113.3D564 I578D564-H580 IonicContact OD2-CE1 3.5Å; D564-H580 PolarHBondContact OD2-CE1 3.42Å; D564-H580 IonicContact OD2-ND1 3.31Å; I578-H580 PolarHBondContact O-N 3Å
581P46.3Very low58.7Low53 Ų5388.2 Ų88.234%0.34447%0.472SS..SBendtrans-88.9120161.410.98.7000110K667P581-K667 HydrophobicContact CG-CB 3.75Å; P581-K667 HydrophobicContact CG-CG 3.8Å
582C47.9Very low59Low111 Ų11188.5 Ų88.575%0.7547%0.472SS*.SBendtrans69.5164.7-177.1-53.50000115I584C582-I584 VanDerWaalsContact C-N 3.32Å; C582-I584 PolarHBondContact O-N 3.37Å
583D54.5Low59.7Low154 Ų15488.8 Ų88.882%0.82447%0.472SS*.  trans-75.470.9-167.6-50.4-69.1000113.4N585D583-N585 PolarHBondContact O-N 2.99Å
584I59.5Low60.5Low21 Ų2186.9 Ų86.911%0.10847%0.467CS..  trans-80.499.3178.5-54.6173.2000109.8Y540 L565 C582 I586Y540-I584 HydrophobicContact CE1-CG2 4.03Å; L565-I584 HydrophobicContact CD2-CG2 3.7Å; C582-I584 VanDerWaalsContact C-N 3.32Å; C582-I584 PolarHBondContact O-N 3.37Å; I584-I586 PolarHBondContact O-N 3.33Å
585N61.8Low61.6Low121 Ų12186 Ų8665%0.64746%0.463SS*.PPolyproline II helixtrans-56.1121.8171.7-70.2-20.4000111.6Y540 D583Y540-N585 PolarHBondContact OH-O 2.96Å; D583-N585 PolarHBondContact O-N 2.99Å
586I63.4Low62.8Low104 Ų10482.9 Ų82.953%0.53345%0.448SS..PPolyproline II helixtrans-70.4139.4173.3-54.6176.7000109.2P567 I584P567-I586 HydrophobicContact CB-CG2 4.37Å; P567-I586 HydrophobicContact CG-CG2 4.18Å; I584-I586 PolarHBondContact O-N 3.33Å
587I71Confident64.3Low12 Ų1279.1 Ų79.16%0.06243%0.431CS..PPolyproline II helixtrans-62.2139.3178.4-81162.3000111.6Y540 Y545 F566 P567 E591 M592Y540-I587 HydrophobicContact CD2-CD1 4.4Å; Y540-I587 HydrophobicContact CE2-CD1 3.45Å; Y540-I587 VanDerWaalsContact CE2-CD1 3.45Å; Y540-I587 HydrophobicContact CE2-CG1 4.14Å; Y540-I587 WeakPolarHBondContact OH-CG1 3.38Å; Y545-I587 HydrophobicContact CD1-CD1 4.29Å; Y545-I587 HydrophobicContact CE1-CD1 3.58Å; Y545-I587 HydrophobicContact CE1-CG1 4.28Å; F566-I587 HydrophobicContact CD1-CD1 3.73Å; F566-I587 HydrophobicContact CE1-CD1 3.43Å; F566-I587 VanDerWaalsContact CE1-CD1 3.43Å; F566-I587 HydrophobicContact CZ-CD1 4.37Å; P567-I587 WeakPolarHBondContact CG-O 3.4Å; I587-E591 HydrophobicContact CG2-CB 3.98Å; I587-M592 HydrophobicContact CG2-CG 3.67Å
588S64.2Low65.8Low51 Ų5173.3 Ų73.336%0.35741%0.406SS..PPolyproline II helixtrans-74.8149.8173.671.80000111.9S590 E591 M592S588-S590 PolarHBondContact O-N 3.17Å; S588-S590 VanDerWaalsContact O-N 3.16Å; S588-S590 PolarHBondContact OG-OG 3.13Å; S588-E591 WeakPolarHBondContact CB-OE2 3.48Å; S588-E591 PolarHBondContact N-OE2 2.81Å; S588-E591 PolarHBondContact O-N 2.78Å; S588-E591 VanDerWaalsContact OG-CD 3.22Å; S588-E591 VanDerWaalsContact OG-CG 3.31Å; S588-E591 WeakPolarHBondContact OG-CG 3.42Å; S588-E591 PolarHBondContact OG-OE2 2.68Å; S588-M592 PolarHBondContact O-N 3.3Å
589S63.4Low67.3Low100 Ų10072.4 Ų72.470%0.69940%0.401SS*.THydrogen-bonded Turntrans-60.8-28.4-173.152.10000114.2
590S64.8Low69.1Low87 Ų8764.8 Ų64.861%0.60837%0.366SS*.THydrogen-bonded Turntrans-72.9-25.9174.448.90000113.5S588S588-S590 PolarHBondContact O-N 3.17Å; S588-S590 VanDerWaalsContact O-N 3.16Å; S588-S590 PolarHBondContact OG-OG 3.13Å
591E71.7Confident71Confident51 Ų5164.4 Ų64.424%0.23837%0.369CS..THydrogen-bonded Turntrans-84.7-19.2-178.7-70.1172.9125.200113.1K543 I587 S588 I593 N594K543-E591 WeakPolarHBondContact CE-OE1 3.46Å; K543-E591 IonicContact NZ-OE1 3.78Å; K543-E591 PolarHBondContact NZ-OE1 3.12Å; I587-E591 HydrophobicContact CG2-CB 3.98Å; S588-E591 WeakPolarHBondContact CB-OE2 3.48Å; S588-E591 PolarHBondContact N-OE2 2.81Å; S588-E591 PolarHBondContact O-N 2.78Å; S588-E591 VanDerWaalsContact OG-CD 3.22Å; S588-E591 VanDerWaalsContact OG-CG 3.31Å; S588-E591 WeakPolarHBondContact OG-CG 3.42Å; S588-E591 PolarHBondContact OG-OE2 2.68Å; E591-I593 PolarHBondContact O-N 2.99Å; E591-I593 VanDerWaalsContact O-N 3.16Å; E591-N594 PolarHBondContact O-N 3.12Å; E591-N594 VanDerWaalsContact O-N 3.14Å
592M73.3Confident73Confident27 Ų2762 Ų6213%0.13335%0.353CS..G310 helixtrans-58.8-27.8-179.6-72.1-145.1-65.100113.9F566 P567 I587 S588 N594 A595 F596F566-M592 HydrophobicContact CB-SD 4.49Å; P567-M592 HydrophobicContact CG-CE 4.37Å; P567-M592 HydrophobicContact CG-SD 3.91Å; P567-M592 WeakPolarHBondContact O-CE 3.45Å; I587-M592 HydrophobicContact CG2-CG 3.67Å; S588-M592 PolarHBondContact O-N 3.3Å; M592-N594 PolarHBondContact O-N 2.89Å; M592-A595 WeakPolarHBondContact O-CA 3.41Å; M592-A595 PolarHBondContact O-N 3.26Å; M592-F596 HydrophobicContact CB-CE2 4.05Å; M592-F596 HydrophobicContact CB-CZ 4.04Å; M592-F596 HydrophobicContact CE-CZ 4.15Å; M592-F596 VanDerWaalsContact O-CD2 3.25Å; M592-F596 WeakPolarHBondContact O-CD2 3.33Å; M592-F596 PolarHBondContact O-N 2.91Å
593I75.1Confident75Confident129 Ų12956.7 Ų56.766%0.66232%0.317SS*.G310 helixtrans-54.5-40.4177.2-58.8177.2000111E591 A595E591-I593 PolarHBondContact O-N 2.99Å; E591-I593 VanDerWaalsContact O-N 3.16Å; I593-A595 VanDerWaalsContact C-N 3.3Å; I593-A595 PolarHBondContact O-N 3.33Å
594N76Confident76.6Confident122 Ų12251.6 Ų51.665%0.65229%0.29SS*.G310 helixtrans-78.5-13.4179-64.1-31.6000113.3E591 M592E591-N594 PolarHBondContact O-N 3.12Å; E591-N594 VanDerWaalsContact O-N 3.14Å; M592-N594 PolarHBondContact O-N 2.89Å
595A82Confident77.9Confident1 Ų152.8 Ų52.81%0.00830%0.298CS..THydrogen-bonded Turntrans-96.8-22.7-179.300000113.7Y545 F566 M592 I593 E597 P598 L599Y545-A595 HydrophobicContact CD2-CB 3.85Å; Y545-A595 HydrophobicContact CE2-CB 4.12Å; Y545-A595 HydrophobicContact CG-CB 4.3Å; F566-A595 HydrophobicContact CD1-CB 4.22Å; F566-A595 HydrophobicContact CE1-CB 3.73Å; M592-A595 WeakPolarHBondContact O-CA 3.41Å; M592-A595 PolarHBondContact O-N 3.26Å; I593-A595 VanDerWaalsContact C-N 3.3Å; I593-A595 PolarHBondContact O-N 3.33Å; A595-E597 PolarHBondContact O-N 3.23Å; A595-P598 VanDerWaalsContact O-CD 3.32Å; A595-P598 WeakPolarHBondContact O-CD 3.45Å; A595-L599 WeakPolarHBondContact O-CB 3.27Å; A595-L599 PolarHBondContact O-N 3.43Å
596F83.4Confident79Confident19 Ų1947 Ų478%0.08327%0.267CS..Hα-helixtrans-62.6-44.3-173.5-73.9-54.9000114.7M569 M592 L599 I600 C690 T694M569-F596 HydrophobicContact CE-CE1 4.22Å; M592-F596 HydrophobicContact CB-CE2 4.05Å; M592-F596 HydrophobicContact CB-CZ 4.04Å; M592-F596 HydrophobicContact CE-CZ 4.15Å; M592-F596 VanDerWaalsContact O-CD2 3.25Å; M592-F596 WeakPolarHBondContact O-CD2 3.33Å; M592-F596 PolarHBondContact O-N 2.91Å; F596-L599 PolarHBondContact O-N 3.5Å; F596-I600 WeakPolarHBondContact O-CB 3.32Å; F596-I600 VanDerWaalsContact O-CG1 3.23Å; F596-I600 WeakPolarHBondContact O-CG1 3.4Å; F596-I600 PolarHBondContact O-N 3.26Å; F596-C690 HydrophobicContact CD1-CB 4.36Å; F596-T694 HydrophobicContact CB-CG2 3.49Å; F596-T694 VanDerWaalsContact CB-CG2 3.49Å; F596-T694 HydrophobicContact CD2-CG2 4.09Å; F596-T694 HydrophobicContact CG-CG2 3.97Å
597E85Confident80Confident85 Ų8543 Ų4340%0.39725%0.246SC..Hα-helixtrans-66.4-42.3177.9-75.9-71.3-176.500113A595 L599 I600 T601 R698A595-E597 PolarHBondContact O-N 3.23Å; E597-L599 VanDerWaalsContact C-N 3.34Å; E597-L599 PolarHBondContact O-N 2.93Å; E597-I600 PolarHBondContact O-N 3.03Å; E597-T601 WeakPolarHBondContact O-CB 3.41Å; E597-T601 PolarHBondContact O-N 3.39Å; E597-T601 PolarHBondContact O-OG1 3.43Å; E597-R698 IonicContact OE1-CZ 2.59Å; E597-R698 IonicContact OE1-NH1 3.74Å; E597-R698 PolarHBondContact OE1-NH1 3.32Å; E597-R698 IonicContact OE1-NH2 2.73Å; E597-R698 PolarHBondContact OE1-NH2 3.03Å; E597-R698 IonicContact OE2-NH1 2.75Å; E597-R698 PolarHBondContact OE2-NH1 3.01Å; E597-R698 IonicContact OE2-NH2 3.06Å
598P85.3Confident80.7Confident28 Ų2850.2 Ų50.218%0.18227%0.272CS..Hα-helixtrans-53.7-44.4164.6-29.335.3000114L549 A595 T601 Y602L549-P598 HydrophobicContact CD1-CB 3.69Å; A595-P598 VanDerWaalsContact O-CD 3.32Å; A595-P598 WeakPolarHBondContact O-CD 3.45Å; P598-T601 WeakPolarHBondContact O-CB 3.44Å; P598-T601 PolarHBondContact O-N 2.88Å; P598-Y602 PolarHBondContact O-N 3.35Å
599L87.6Confident81.4Confident1 Ų149.2 Ų49.21%0.00526%0.263CS..Hα-helixtrans-70.2-38.6-178.7-175.559.6000112.7L549 L563 F566 M569 A595 F596 E597 T601 Y602 L603L549-L599 HydrophobicContact CD1-CB 4.48Å; L563-L599 HydrophobicContact CD2-CD1 4.15Å; F566-L599 HydrophobicContact CB-CD2 4.4Å; F566-L599 HydrophobicContact CD2-CD1 4.16Å; F566-L599 HydrophobicContact CD2-CD2 4.1Å; F566-L599 HydrophobicContact CE2-CD1 4.06Å; F566-L599 HydrophobicContact CG-CD2 4.09Å; M569-L599 HydrophobicContact CG-CD2 4.29Å; M569-L599 HydrophobicContact SD-CD2 4.27Å; A595-L599 WeakPolarHBondContact O-CB 3.27Å; A595-L599 PolarHBondContact O-N 3.43Å; F596-L599 PolarHBondContact O-N 3.5Å; E597-L599 VanDerWaalsContact C-N 3.34Å; E597-L599 PolarHBondContact O-N 2.93Å; L599-T601 VanDerWaalsContact C-N 3.29Å; L599-T601 PolarHBondContact O-N 3.29Å; L599-Y602 HydrophobicContact CD1-CD1 4.11Å; L599-Y602 WeakPolarHBondContact O-CB 3.21Å; L599-Y602 PolarHBondContact O-N 2.76Å; L599-L603 HydrophobicContact CD1-CD1 4.39Å; L599-L603 HydrophobicContact CD1-CG 4.33Å; L599-L603 HydrophobicContact CG-CD1 4.12Å; L599-L603 WeakPolarHBondContact O-CB 3.5Å; L599-L603 VanDerWaalsContact O-CG 3.29Å; L599-L603 WeakPolarHBondContact O-CG 3.17Å; L599-L603 PolarHBondContact O-N 3.2Å
600I87.6Confident82.2Confident4 Ų444.5 Ų44.52%0.02123%0.229CC..Hα-helixtrans-59.4-43.2170.6-73.6164.6000109.9F596 E597 L603 L604 C690 Y691 T694F596-I600 WeakPolarHBondContact O-CB 3.32Å; F596-I600 VanDerWaalsContact O-CG1 3.23Å; F596-I600 WeakPolarHBondContact O-CG1 3.4Å; F596-I600 PolarHBondContact O-N 3.26Å; E597-I600 PolarHBondContact O-N 3.03Å; I600-L603 PolarHBondContact O-N 2.93Å; I600-L604 HydrophobicContact CG2-CD1 3.82Å; I600-L604 HydrophobicContact CG2-CG 4.36Å; I600-L604 VanDerWaalsContact O-CB 3.29Å; I600-L604 WeakPolarHBondContact O-CB 3.41Å; I600-L604 VanDerWaalsContact O-CG 3.27Å; I600-L604 WeakPolarHBondContact O-CG 3.25Å; I600-L604 PolarHBondContact O-N 2.73Å; I600-C690 HydrophobicContact CD1-CB 4.05Å; I600-C690 HydrophobicContact CG1-CB 3.68Å; I600-Y691 HydrophobicContact CD1-CD1 3.95Å; I600-Y691 HydrophobicContact CD1-CE1 4Å; I600-Y691 HydrophobicContact CG1-CD1 4.31Å; I600-Y691 HydrophobicContact CG1-CE1 4.07Å; I600-Y691 HydrophobicContact CG2-CE1 3.77Å; I600-T694 HydrophobicContact CD1-CG2 4.16Å
601T87.8Confident82.6Confident71 Ų7142.7 Ų42.744%0.43621%0.21SC..Hα-helixtrans-64.8-41.8178.3-57.60000111.9E597 P598 L599 T605E597-T601 WeakPolarHBondContact O-CB 3.41Å; E597-T601 PolarHBondContact O-N 3.39Å; E597-T601 PolarHBondContact O-OG1 3.43Å; P598-T601 WeakPolarHBondContact O-CB 3.44Å; P598-T601 PolarHBondContact O-N 2.88Å; L599-T601 VanDerWaalsContact C-N 3.29Å; L599-T601 PolarHBondContact O-N 3.29Å; T601-T605 WeakPolarHBondContact O-CB 3.42Å; T601-T605 PolarHBondContact O-N 3.21Å; T601-T605 VanDerWaalsContact O-N 3.09Å; T601-T605 PolarHBondContact O-OG1 3.49Å
602Y88.6Confident82.5Confident2 Ų245.9 Ų45.91%0.00823%0.226CC..Hα-helixtrans-58.7-55.8172.2174.5-95.8000111.6L549 F552 T553 P559 V562 P598 L599 L604 T605 W606L549-Y602 HydrophobicContact CB-CD2 3.94Å; L549-Y602 HydrophobicContact CB-CG 4.35Å; L549-Y602 HydrophobicContact CD2-CD1 4.39Å; L549-Y602 HydrophobicContact CD2-CD2 3.81Å; L549-Y602 HydrophobicContact CD2-CE2 4.25Å; L549-Y602 HydrophobicContact CD2-CG 3.9Å; L549-Y602 HydrophobicContact CG-CD2 4.47Å; L549-Y602 WeakPolarHBondContact O-CD2 3.48Å; F552-Y602 HydrophobicContact CB-CE2 4.13Å; T553-Y602 WeakPolarHBondContact OG1-CD2 3.49Å; T553-Y602 WeakPolarHBondContact OG1-CE2 3.47Å; P559-Y602 WeakPolarHBondContact CA-OH 3.34Å; P559-Y602 HydrophobicContact CB-CE1 4.24Å; V562-Y602 HydrophobicContact CB-CE1 4.36Å; V562-Y602 HydrophobicContact CG1-CE1 4.02Å; V562-Y602 HydrophobicContact CG1-CE2 4.15Å; V562-Y602 WeakPolarHBondContact CG2-OH 3.36Å; P598-Y602 PolarHBondContact O-N 3.35Å; L599-Y602 HydrophobicContact CD1-CD1 4.11Å; L599-Y602 WeakPolarHBondContact O-CB 3.21Å; L599-Y602 PolarHBondContact O-N 2.76Å; Y602-L604 PolarHBondContact O-N 2.77Å; Y602-T605 WeakPolarHBondContact O-CB 3.27Å; Y602-T605 PolarHBondContact O-N 2.75Å; Y602-W606 AromaticContact CE1-CD1 3.76Å; Y602-W606 AromaticContact CE1-NE1 3.94Å; Y602-W606 AromaticContact CE2-CD1 3.73Å; Y602-W606 AromaticContact CE2-NE1 3.32Å; Y602-W606 VanDerWaalsContact CE2-NE1 3.32Å; Y602-W606 AromaticContact CZ-CD1 3.57Å; Y602-W606 AromaticContact CZ-NE1 3.26Å; Y602-W606 VanDerWaalsContact CZ-NE1 3.26Å; Y602-W606 PolarHBondContact O-N 3.38Å; Y602-W606 PolarHBondContact OH-NE1 3.16Å
603L88.7Confident81.8Confident0 Ų048.3 Ų48.30%024%0.239CC..Hα-helixtrans-62.9-41.4-177.2-71172.7000112.6L563 L599 I600 T605 W606 R607 I683 L687L563-L603 HydrophobicContact CD2-CD2 4.27Å; L599-L603 HydrophobicContact CD1-CD1 4.39Å; L599-L603 HydrophobicContact CD1-CG 4.33Å; L599-L603 HydrophobicContact CG-CD1 4.12Å; L599-L603 WeakPolarHBondContact O-CB 3.5Å; L599-L603 VanDerWaalsContact O-CG 3.29Å; L599-L603 WeakPolarHBondContact O-CG 3.17Å; L599-L603 PolarHBondContact O-N 3.2Å; I600-L603 PolarHBondContact O-N 2.93Å; L603-T605 VanDerWaalsContact C-N 3.28Å; L603-T605 PolarHBondContact O-N 3.04Å; L603-W606 PolarHBondContact O-N 3.46Å; L603-R607 WeakPolarHBondContact O-CB 3.37Å; L603-R607 PolarHBondContact O-N 3.47Å; L603-I683 HydrophobicContact CB-CG2 4.31Å; L603-I683 HydrophobicContact CD2-CB 4.34Å; L603-I683 HydrophobicContact CD2-CG1 4.04Å; L603-I683 HydrophobicContact CD2-CG2 4.19Å; L603-L687 HydrophobicContact CB-CD1 4.31Å; L603-L687 HydrophobicContact CB-CD2 3.6Å; L603-L687 HydrophobicContact CB-CG 3.76Å; L603-L687 HydrophobicContact CD1-CD2 4.11Å; L603-L687 HydrophobicContact CD1-CG 4.08Å
604L88.1Confident80.9Confident47 Ų4747.5 Ų47.525%0.24623%0.232CC..Hα-helixtrans-64.5-32.2173.8-75175.8000112.7I600 Y602 R608 L687I600-L604 HydrophobicContact CG2-CD1 3.82Å; I600-L604 HydrophobicContact CG2-CG 4.36Å; I600-L604 VanDerWaalsContact O-CB 3.29Å; I600-L604 WeakPolarHBondContact O-CB 3.41Å; I600-L604 VanDerWaalsContact O-CG 3.27Å; I600-L604 WeakPolarHBondContact O-CG 3.25Å; I600-L604 PolarHBondContact O-N 2.73Å; Y602-L604 PolarHBondContact O-N 2.77Å; L604-R608 WeakPolarHBondContact O-CD 3.38Å; L604-R608 VanDerWaalsContact O-CG 3.25Å; L604-R608 WeakPolarHBondContact O-CG 3.09Å; L604-R608 PolarHBondContact O-N 3.36Å; L604-R608 VanDerWaalsContact O-N 3.13Å; L604-L687 HydrophobicContact CD2-CD1 4.19Å; L604-L687 HydrophobicContact CD2-CD2 4.35Å; L604-L687 HydrophobicContact CG-CD2 4.16Å
605T86.6Confident79.7Confident46 Ų4647.3 Ų47.328%0.28223%0.227SC..Hα-helixtrans-71.3-43.6176.2-580000110.8T553 T601 Y602 L603 R608 L609T553-T605 HydrophobicContact CG2-CG2 3.81Å; T601-T605 WeakPolarHBondContact O-CB 3.42Å; T601-T605 PolarHBondContact O-N 3.21Å; T601-T605 VanDerWaalsContact O-N 3.09Å; T601-T605 PolarHBondContact O-OG1 3.49Å; Y602-T605 WeakPolarHBondContact O-CB 3.27Å; Y602-T605 PolarHBondContact O-N 2.75Å; L603-T605 VanDerWaalsContact C-N 3.28Å; L603-T605 PolarHBondContact O-N 3.04Å; T605-R608 WeakPolarHBondContact O-CB 3.34Å; T605-R608 PolarHBondContact O-N 3.38Å; T605-L609 HydrophobicContact CG2-CD1 4.39Å; T605-L609 WeakPolarHBondContact O-CG 3.5Å; T605-L609 PolarHBondContact O-N 3.5Å
606W84.9Confident77.8Confident0 Ų049.6 Ų49.60%024%0.243CC..Hα-helixtrans-60.8-44.1171.1-84.293.3000113L556 I557 P559 Y602 L603 R608 L609 L610 F661 L679 I683L556-W606 HydrophobicContact CB-CH2 4.29Å; L556-W606 HydrophobicContact CD2-CH2 4.01Å; L556-W606 HydrophobicContact CD2-CZ2 4.3Å; I557-W606 WeakPolarHBondContact O-CZ2 3.45Å; P559-W606 HydrophobicContact CG-CD2 3.6Å; P559-W606 HydrophobicContact CG-CE3 3.82Å; P559-W606 HydrophobicContact CG-CG 4.14Å; P559-W606 HydrophobicContact CG-CH2 4.01Å; P559-W606 HydrophobicContact CG-CZ2 3.8Å; P559-W606 HydrophobicContact CG-CZ3 4.01Å; Y602-W606 AromaticContact CE1-CD1 3.76Å; Y602-W606 AromaticContact CE1-NE1 3.94Å; Y602-W606 AromaticContact CE2-CD1 3.73Å; Y602-W606 AromaticContact CE2-NE1 3.32Å; Y602-W606 VanDerWaalsContact CE2-NE1 3.32Å; Y602-W606 AromaticContact CZ-CD1 3.57Å; Y602-W606 AromaticContact CZ-NE1 3.26Å; Y602-W606 VanDerWaalsContact CZ-NE1 3.26Å; Y602-W606 PolarHBondContact O-N 3.38Å; Y602-W606 PolarHBondContact OH-NE1 3.16Å; L603-W606 PolarHBondContact O-N 3.46Å; W606-R608 PolarHBondContact O-N 3.06Å; W606-L609 PolarHBondContact O-N 3.22Å; W606-L610 WeakPolarHBondContact O-CB 3.37Å; W606-L610 WeakPolarHBondContact O-CG 3.32Å; W606-L610 PolarHBondContact O-N 3.33Å; W606-F661 HydrophobicContact CH2-CE1 4.09Å; W606-F661 HydrophobicContact CZ3-CD1 4.29Å; W606-F661 AromaticContact CZ3-CE1 3.56Å; W606-F661 HydrophobicContact CZ3-CE1 3.56Å; W606-F661 HydrophobicContact CZ3-CZ 4.04Å; W606-L679 HydrophobicContact CE3-CD2 4.32Å; W606-L679 HydrophobicContact CZ3-CD2 4.12Å; W606-I683 HydrophobicContact CB-CD1 3.73Å
607R85.8Confident75.3Confident21 Ų2152.3 Ų52.38%0.07927%0.265CS..Hα-helixtrans-56.7-36175.1-158.9-175.8-162.5-131.21.2112.3L603 K611 L680 I683 D684 E706L603-R607 WeakPolarHBondContact O-CB 3.37Å; L603-R607 PolarHBondContact O-N 3.47Å; R607-K611 WeakPolarHBondContact O-CG 3.36Å; R607-K611 PolarHBondContact O-N 2.81Å; R607-K611 VanDerWaalsContact O-N 3.14Å; R607-L680 HydrophobicContact CG-CD2 4.42Å; R607-I683 HydrophobicContact CB-CG2 4.14Å; R607-D684 WeakPolarHBondContact CD-OD1 3.41Å; R607-D684 IonicContact CZ-OD1 2.95Å; R607-D684 IonicContact CZ-OD2 3.03Å; R607-D684 IonicContact NE-OD1 2.7Å; R607-D684 PolarHBondContact NE-OD1 3.13Å; R607-D684 IonicContact NE-OD2 3.89Å; R607-D684 PolarHBondContact NE-OD2 3.06Å; R607-D684 IonicContact NH2-OD1 3.57Å; R607-D684 IonicContact NH2-OD2 2.77Å; R607-D684 PolarHBondContact NH2-OD2 3.45Å; R607-E706 PolarHBondContact NH2-O 3.33Å
608R84.1Confident72.7Confident162 Ų16252.1 Ų52.161%0.61127%0.266SS*.Hα-helixtrans-72.4-48.3174.5-70.5165.1-176.6172.92.2112.4L604 T605 W606 L610 K611 Q612L604-R608 WeakPolarHBondContact O-CD 3.38Å; L604-R608 VanDerWaalsContact O-CG 3.25Å; L604-R608 WeakPolarHBondContact O-CG 3.09Å; L604-R608 PolarHBondContact O-N 3.36Å; L604-R608 VanDerWaalsContact O-N 3.13Å; T605-R608 WeakPolarHBondContact O-CB 3.34Å; T605-R608 PolarHBondContact O-N 3.38Å; W606-R608 PolarHBondContact O-N 3.06Å; R608-L610 PolarHBondContact O-N 3.24Å; R608-K611 PolarHBondContact O-N 2.87Å; R608-Q612 WeakPolarHBondContact O-CG 3.4Å; R608-Q612 PolarHBondContact O-N 3.1Å
609L80.4Confident70.1Confident31 Ų3155.5 Ų55.516%0.16229%0.287CS..Hα-helixtrans-56.9-40.2178-73.1169.4000111.5T553 L556 T605 W606 N613 I623T553-L609 HydrophobicContact CG2-CD1 4.04Å; L556-L609 HydrophobicContact CD2-CD1 4.35Å; T605-L609 HydrophobicContact CG2-CD1 4.39Å; T605-L609 WeakPolarHBondContact O-CG 3.5Å; T605-L609 PolarHBondContact O-N 3.5Å; W606-L609 PolarHBondContact O-N 3.22Å; L609-N613 PolarHBondContact O-ND2 3.43Å; L609-I623 HydrophobicContact CD2-CD1 3.96Å
610L79.5Confident67.3Low0 Ų064.7 Ų64.70%033%0.326CS..Hα-helixtrans-68.4-57.6176.5-69.4168000111.1W606 R608 Q612 N613 Q614 F661 Y676 L679 L680 I683W606-L610 WeakPolarHBondContact O-CB 3.37Å; W606-L610 WeakPolarHBondContact O-CG 3.32Å; W606-L610 PolarHBondContact O-N 3.33Å; R608-L610 PolarHBondContact O-N 3.24Å; L610-Q612 PolarHBondContact O-N 3.09Å; L610-Q612 VanDerWaalsContact O-N 3.09Å; L610-N613 PolarHBondContact O-N 3.43Å; L610-Q614 PolarHBondContact O-N 2.95Å; L610-F661 HydrophobicContact CD2-CB 4.48Å; L610-F661 HydrophobicContact CD2-CD2 3.65Å; L610-F661 HydrophobicContact CD2-CE2 3.98Å; L610-F661 HydrophobicContact CD2-CG 3.97Å; L610-Y676 HydrophobicContact CB-CD2 4.48Å; L610-Y676 HydrophobicContact CB-CE2 3.56Å; L610-Y676 HydrophobicContact CD2-CD2 3.74Å; L610-Y676 HydrophobicContact CD2-CE2 3.64Å; L610-Y676 HydrophobicContact CG-CE2 4.19Å; L610-Y676 WeakPolarHBondContact O-CE2 3.28Å; L610-Y676 PolarHBondContact O-OH 3.08Å; L610-Y676 VanDerWaalsContact O-OH 3.05Å; L610-L679 HydrophobicContact CD1-CD2 4.1Å; L610-L679 HydrophobicContact CD1-CG 4.04Å; L610-L679 HydrophobicContact CD2-CD2 4.16Å; L610-L680 HydrophobicContact CB-CD2 3.93Å; L610-L680 HydrophobicContact CB-CG 4.36Å; L610-L680 HydrophobicContact CD1-CD2 3.63Å; L610-L680 HydrophobicContact CD1-CG 4.04Å; L610-L680 HydrophobicContact CG-CD2 4.43Å; L610-I683 HydrophobicContact CD1-CD1 3.44Å; L610-I683 VanDerWaalsContact CD1-CD1 3.44Å
611K74Confident64.4Low49 Ų4971.4 Ų71.421%0.21336%0.362CS..Hα-helixtrans-60.5-25-177.2-72.2-158.7177.3-157.30114R607 R608 Q615 Y676 E706R607-K611 WeakPolarHBondContact O-CG 3.36Å; R607-K611 PolarHBondContact O-N 2.81Å; R607-K611 VanDerWaalsContact O-N 3.14Å; R608-K611 PolarHBondContact O-N 2.87Å; K611-Q615 WeakPolarHBondContact O-CG 3.42Å; K611-Y676 WeakPolarHBondContact CA-OH 3.35Å; K611-Y676 PolarHBondContact N-OH 3.26Å; K611-E706 PolarHBondContact NZ-O 2.78Å; K611-E706 VanDerWaalsContact NZ-O 3.13Å; K611-E706 IonicContact NZ-OE2 3.83Å; K611-E706 PolarHBondContact NZ-OE2 3.01Å; K611-E706 VanDerWaalsContact NZ-OE2 3.09Å
612Q68.2Low61.5Low119 Ų11976.4 Ų76.456%0.55639%0.385SS*.Hα-helixtrans-65.1-49.2171.3-76.9177.2-500112.6R608 L610 Q614 Q615 S616R608-Q612 WeakPolarHBondContact O-CG 3.4Å; R608-Q612 PolarHBondContact O-N 3.1Å; L610-Q612 PolarHBondContact O-N 3.09Å; L610-Q612 VanDerWaalsContact O-N 3.09Å; Q612-Q614 VanDerWaalsContact C-N 3.26Å; Q612-Q614 PolarHBondContact O-N 3.3Å; Q612-Q615 PolarHBondContact O-N 3Å; Q612-S616 PolarHBondContact O-OG 3.49Å
613N58.4Low58.8Low78 Ų7881.2 Ų81.242%0.41741%0.41SS..Hα-helixtrans-66.2-28.7-178.4-76.2-74000112.8L609 L610 Q615 S616L609-N613 PolarHBondContact O-ND2 3.43Å; L610-N613 PolarHBondContact O-N 3.43Å; N613-Q615 PolarHBondContact O-N 3.26Å; N613-S616 PolarHBondContact O-OG 3.03Å
614Q56.3Low55.8Low111 Ų11189.8 Ų89.852%0.51945%0.447SS..Hα-helixtrans-63.8-27.9177.5-135.5179.6-10.600113.3L610 Q612 Y676L610-Q614 PolarHBondContact O-N 2.95Å; Q612-Q614 VanDerWaalsContact C-N 3.26Å; Q612-Q614 PolarHBondContact O-N 3.3Å; Q614-Y676 HydrophobicContact CB-CE2 4.49Å; Q614-Y676 VanDerWaalsContact CD-CZ 3.47Å; Q614-Y676 VanDerWaalsContact CD-OH 3.25Å; Q614-Y676 HydrophobicContact CG-CE1 3.76Å; Q614-Y676 HydrophobicContact CG-CE2 4.4Å; Q614-Y676 PolarHBondContact OE1-OH 3.34Å
615Q50.9Low52.8Low118 Ų11892.1 Ų92.155%0.55147%0.465SS*.Hα-helixtrans-95.8-22.3-174.1-61.7-178.4-5.700112.8K611 Q612 N613 S617 N1008K611-Q615 WeakPolarHBondContact O-CG 3.42Å; Q612-Q615 PolarHBondContact O-N 3Å; N613-Q615 PolarHBondContact O-N 3.26Å; Q615-S617 PolarHBondContact O-N 2.96Å; Q615-N1008 WeakPolarHBondContact CG-ND2 3.38Å; Q615-N1008 PolarHBondContact NE2-ND2 3.45Å; Q615-N1008 PolarHBondContact OE1-ND2 3.4Å
616S41.9Very low49.9Very low49 Ų4994.4 Ų94.434%0.34348%0.482SS..  trans-93.443.9-171.660.80000114.3Q612 N613 N618 V619Q612-S616 PolarHBondContact O-OG 3.49Å; N613-S616 PolarHBondContact O-OG 3.03Å; S616-N618 PolarHBondContact O-N 3.39Å; S616-V619 PolarHBondContact O-N 3.26Å
617S31.3Very low47.4Very low76 Ų7697.7 Ų97.753%0.53150%0.497SS..THydrogen-bonded Turntrans-73.118.2-17934.10000114.9Q615 T1005Q615-S617 PolarHBondContact O-N 2.96Å; S617-T1005 WeakPolarHBondContact OG-CB 3.47Å; S617-T1005 WeakPolarHBondContact OG-CG2 3.44Å
618N29.9Very low44.6Very low81 Ų8198.6 Ų98.643%0.43350%0.503SS..THydrogen-bonded Turntrans-141.70.9173.7-129.34.4000114.3S616 Q1003 S1004S616-N618 PolarHBondContact O-N 3.39Å; N618-Q1003 PolarHBondContact ND2-O 3.48Å; N618-S1004 VanDerWaalsContact CG-CB 3.42Å; N618-S1004 WeakPolarHBondContact ND2-CB 3.34Å; N618-S1004 PolarHBondContact ND2-O 3.17Å; N618-S1004 VanDerWaalsContact ND2-O 3.12Å; N618-S1004 VanDerWaalsContact OD1-CB 3.25Å; N618-S1004 WeakPolarHBondContact OD1-CB 3.31Å; N618-S1004 PolarHBondContact OD1-OG 3.4Å
619V32.3Very low41.9Very low100 Ų10094 Ų9461%0.60649%0.49SS*.  trans-127.8107.5-172.6-178.20000111.8S616S616-V619 PolarHBondContact O-N 3.26Å
620K27.3Very low39.2Very low193 Ų19398.6 Ų98.684%0.83952%0.515SS*.  trans-73.8147.8158.7-65.6174.6-179.6173.70108.7
621L28.2Very low36.6Very low146 Ų146103.8 Ų103.876%0.76455%0.551SS**  trans78.9109.8-178.6-53.6141.2000115
622L27Very low34.5Very low175 Ų175106.8 Ų106.892%0.91657%0.574SS**  -173.418.6115.9-101.4169000116.6
623I30.8Very low32.4Very low104 Ų104109.6 Ų109.653%0.53359%0.589SS.*SBendtrans-94.5136.1154.6-57.5177.4000107.3L609 P625L609-I623 HydrophobicContact CD2-CD1 3.96Å; I623-P625 WeakPolarHBondContact O-CD 3.43Å
624K25.5Very low31.1Very low180 Ų180112.1 Ų112.178%0.78360%0.601SS**  trans-74.2115.2176.3-72.3176.2-179.9170.90109.4S626K624-S626 PolarHBondContact O-N 2.98Å; K624-S626 VanDerWaalsContact O-N 3.11Å
625P24.7Very low29.8Very low95 Ų95115.4 Ų115.462%0.61762%0.616SS**  trans-72.5105.2160.530.6-31.3000108I623 K627I623-P625 WeakPolarHBondContact O-CD 3.43Å; P625-K627 WeakPolarHBondContact O-CE 3.43Å; P625-K627 PolarHBondContact O-N 3.48Å; P625-K627 VanDerWaalsContact O-N 3.13Å
626S27.7Very low28.8Very low94 Ų94115.9 Ų115.966%0.65762%0.619SS**  trans-59.1111145.741.30000106.3K624K624-S626 PolarHBondContact O-N 2.98Å; K624-S626 VanDerWaalsContact O-N 3.11Å
627K30.6Very low28.3Very low70 Ų70119 Ų11930%0.30464%0.64SS.*  trans-54.6154.1173.7-42.197.6-158.7-165.60107.9Q349 P625Q349-K627 WeakPolarHBondContact O-CD 3.43Å; Q349-K627 WeakPolarHBondContact O-CE 3.2Å; Q349-K627 PolarHBondContact O-NZ 2.87Å; P625-K627 WeakPolarHBondContact O-CE 3.43Å; P625-K627 PolarHBondContact O-N 3.48Å; P625-K627 VanDerWaalsContact O-N 3.13Å
628I28.1Very low28.4Very low39 Ų39123.5 Ų123.520%0.265%0.653CS.*  cis-155.7178.748.4-122.2-168.6000113.9E66 E527E66-I628 HydrophobicContact CB-CB 4.17Å; E66-I628 HydrophobicContact CB-CD1 3.6Å; E66-I628 HydrophobicContact CB-CG1 4.38Å; E66-I628 HydrophobicContact CB-CG2 3.54Å; E66-I628 HydrophobicContact CG-CB 4.34Å; E66-I628 HydrophobicContact CG-CD1 3.72Å; E66-I628 HydrophobicContact CG-CG1 4.4Å; E66-I628 HydrophobicContact CG-CG2 4.23Å; E527-I628 HydrophobicContact CG-CG2 3.92Å
629L26.5Very low28.4Very low65 Ų65129.1 Ų129.134%0.3467%0.668SS.*  trans2.9170.8156.3-82.963.7000121.2N348N348-L629 WeakPolarHBondContact ND2-CD1 3.1Å
630N24.6Very low28.4Very low128 Ų128129.4 Ų129.468%0.68468%0.675SS**  cis-159.6171.617.3-138.3-13.6000113.5
631S25.7Very low28.7Very low109 Ų109128.7 Ų128.776%0.76267%0.674SS**  trans63.8158.9165.1-83.90000118.2
632T29.3Very low28.7Very low112 Ų112128.7 Ų128.769%0.68768%0.675SS**  cis-113164.4-0.449.70000112.4
633M23.3Very low28.8Very low179 Ų179127.9 Ų127.988%0.88267%0.67SS**  trans-110.7124.5159.6-65.9-153.675.600109.2
634I32.4Very low28.6Very low131 Ų131131.3 Ų131.367%0.67269%0.69SS**  trans-130.3113.6171-61.6179.4000107.3
635E27.1Very low28.7Very low179 Ų179126.5 Ų126.584%0.83668%0.679SS**  trans40.778.4148.8-54-178152.100119.7
636E31.5Very low28.8Very low128 Ų128133 Ų13360%0.59869%0.691SS**  trans-128.612.5156.1-75-151.3123.500114.5Q638 R639E636-Q638 PolarHBondContact O-N 3.21Å; E636-R639 PolarHBondContact O-N 3.39Å; E636-R639 WeakPolarHBondContact OE1-CD 3.47Å; E636-R639 IonicContact OE1-CZ 2.67Å; E636-R639 IonicContact OE1-NE 2.67Å; E636-R639 IonicContact OE1-NH1 3.68Å; E636-R639 PolarHBondContact OE1-NH1 3.28Å
637S31.6Very low28.7Very low114 Ų114134.7 Ų134.780%0.79769%0.693SS**THydrogen-bonded Turntrans-69.87.7176.448.80000115.3
638Q33.3Very low28.4Very low171 Ų171139.1 Ų139.180%0.79971%0.714SS**THydrogen-bonded Turntrans-121.1-1.7177.8-67.2-174.2-1000113.9E636E636-Q638 PolarHBondContact O-N 3.21Å
639R29.7Very low28.5Very low199 Ų199146.1 Ų146.175%0.75175%0.746SS**THydrogen-bonded Turntrans-90.93.5-170.1-124.2174.3-174.2170.42.6115.9E636E636-R639 PolarHBondContact O-N 3.39Å; E636-R639 WeakPolarHBondContact OE1-CD 3.47Å; E636-R639 IonicContact OE1-CZ 2.67Å; E636-R639 IonicContact OE1-NE 2.67Å; E636-R639 IonicContact OE1-NH1 3.68Å; E636-R639 PolarHBondContact OE1-NH1 3.28Å
640S31.4Very low28.6Very low107 Ų107151.5 Ų151.575%0.74877%0.769SS**THydrogen-bonded Turntrans-11814.7-176.257.50000114.8
641Q34.4Very low28.8Very low177 Ų177154.5 Ų154.583%0.82778%0.778SS**SBendtrans-122.18.9178.5-69.1-170.5-16.300114.4
642L27.9Very low28.8Very low147 Ų147157.9 Ų157.977%0.7778%0.782SS**SBendtrans-126.9158.5169.7-68.1172.3000109.1
643L28.4Very low28.8Very low157 Ų157162 Ų16282%0.82279%0.794SS**  trans69.826.6-177.7-62.4159.1000116.4S645L643-S645 PolarHBondContact O-N 2.93Å
644N26.6Very low29Very low177 Ų177161.9 Ų161.995%0.94779%0.791SS**  trans-7948.6153.5-139.71.5000110.5
645S29Very low28.8Very low79 Ų79163.4 Ų163.455%0.55280%0.799SS**SBendtrans-158.895.5-173.659.80000111.6L643L643-S645 PolarHBondContact O-N 2.93Å
646R25.3Very low29Very low231 Ų231161 Ų16187%0.87279%0.79SS**  trans39.4131133.2-85.4179.1170.9160.1-2.9120.6
647N26.4Very low28.9Very low130 Ų130160.9 Ų160.970%0.69580%0.798SS**  trans87.3117.6152.1-54.73.9000117.7
648E24.6Very low29.3Very low162 Ų162160.9 Ų160.976%0.75779%0.794SS**  40.5105128.3-56.7176.1148.100118.7
649H30.6Very low30.3Very low187 Ų187159.4 Ų159.487%0.86679%0.791SS**  -179.3167.1107.1-90.3-57.5000111.9
650H27.1Very low31.7Very low178 Ų178151.8 Ų151.882%0.82478%0.775SS**  trans-66.2139.5-179.9-67.4-81.8000113.2
651H28.6Very low33.4Very low190 Ų190148 Ų14888%0.8875%0.745SS**  -156.5157.3123.5-111.456.7000111.6
652Q26.3Very low35.1Very low181 Ų181143.6 Ų143.685%0.84672%0.724SS**  trans-92.2134.2-172.3-64.4158.2-6000111.9
653Q29.5Very low37.3Very low198 Ų198136.6 Ų136.693%0.92569%0.688SS**  trans-134.6134.6153.3-73.8-169.5-17.700109.1
654Q27.7Very low39.5Very low176 Ų176132.6 Ų132.682%0.82266%0.662SS**  trans-86.8134.7-172.9-69.4173.8-25.400111.4I656Q654-I656 PolarHBondContact O-N 3.08Å
655I28Very low41.7Very low164 Ų164124.3 Ų124.384%0.84162%0.618SS**  trans-8299.8167.6-59.6174.6000107.6T657I655-T657 PolarHBondContact O-N 3.25Å
656I31.1Very low43.7Very low128 Ų128121.5 Ų121.566%0.65660%0.597SS**  trans-78.5116.5-178.9-52.5179000109.6Q654 T658Q654-I656 PolarHBondContact O-N 3.08Å; I656-T658 HydrophobicContact CG2-CG2 3.78Å; I656-T658 PolarHBondContact O-N 3.11Å
657T29.8Very low45.4Very low125 Ų125112.8 Ų112.877%0.76757%0.565SS**  trans-83.899.2170.742.50000109.5I655I655-T657 PolarHBondContact O-N 3.25Å
658T38.6Very low46.7Very low114 Ų114112.3 Ų112.370%0.69956%0.563SS**  trans-88.4116.7-174.444.90000112.7I656 G660I656-T658 HydrophobicContact CG2-CG2 3.78Å; I656-T658 PolarHBondContact O-N 3.11Å; T658-G660 PolarHBondContact O-N 3.02Å
659N54.4Low48.4Very low141 Ų141110.6 Ų110.675%0.75455%0.549SS*.  trans-7857.4173-69.3-26000111.8Y676N659-Y676 PolarHBondContact O-N 2.92Å
660G59.4Low49.8Very low39 Ų39103.9 Ų103.940%0.40252%0.523SS..EExtended strand (participates in β ladder)trans-87.3137.1-178.600000113.3T658 M674T658-G660 PolarHBondContact O-N 3.02Å; G660-M674 WeakPolarHBondContact CA-O 3.45Å
661F67.1Low51.5Low27 Ų27102.8 Ų102.812%0.11851%0.512CS..EExtended strand (participates in β ladder)trans-102139.8164.4-170.7-85.3000109.8L556 W606 L610 I673 M674 L679L556-F661 HydrophobicContact CD2-CZ 4.44Å; W606-F661 HydrophobicContact CH2-CE1 4.09Å; W606-F661 HydrophobicContact CZ3-CD1 4.29Å; W606-F661 AromaticContact CZ3-CE1 3.56Å; W606-F661 HydrophobicContact CZ3-CE1 3.56Å; W606-F661 HydrophobicContact CZ3-CZ 4.04Å; L610-F661 HydrophobicContact CD2-CB 4.48Å; L610-F661 HydrophobicContact CD2-CD2 3.65Å; L610-F661 HydrophobicContact CD2-CE2 3.98Å; L610-F661 HydrophobicContact CD2-CG 3.97Å; F661-I673 WeakPolarHBondContact O-CA 3.43Å; F661-M674 PolarHBondContact N-O 3.27Å; F661-M674 PolarHBondContact O-N 3.32Å; F661-L679 HydrophobicContact CD1-CD2 4.35Å
662E71.3Confident53.4Low84 Ų8496.8 Ų96.839%0.39349%0.485SS..EExtended strand (participates in β ladder)trans-97123.1-177.2-58.7-175.9-171.100111.2R671 M672E662-R671 IonicContact OE1-CZ 2.76Å; E662-R671 IonicContact OE1-NE 3.19Å; E662-R671 IonicContact OE1-NH2 2.71Å; E662-R671 PolarHBondContact OE1-NH2 3.42Å; E662-R671 IonicContact OE2-CZ 2.75Å; E662-R671 IonicContact OE2-NE 3.19Å; E662-R671 PolarHBondContact OE2-NE 3.25Å; E662-R671 IonicContact OE2-NH2 3.85Å; E662-R671 PolarHBondContact OE2-NH2 3.02Å; E662-M672 WeakPolarHBondContact CA-O 3.46Å
663C74.2Confident55.4Low0 Ų093.5 Ų93.50%047%0.472CS..EExtended strand (participates in β ladder)trans-139.8165.2177.459.10000110.5L556 N558 M672L556-C663 VanDerWaalsContact O-CA 3.28Å; L556-C663 WeakPolarHBondContact O-CA 3.11Å; L556-C663 WeakPolarHBondContact O-CB 3.32Å; N558-C663 HydrophobicContact CB-CB 4.26Å; C663-M672 PolarHBondContact N-O 3.08Å; C663-M672 WeakPolarHBondContact O-CA 3.49Å; C663-M672 PolarHBondContact O-N 2.98Å
664Y74.3Confident57.5Low73 Ų7385.1 Ų85.129%0.28643%0.433SS..EExtended strand (participates in β ladder)trans-105.9138.9-176.8-65.4-85.8000112.3L529 Q555 L556 N558 S670 R671L529-Y664 HydrophobicContact CD2-CD1 3.85Å; L529-Y664 HydrophobicContact CD2-CE1 3.96Å; L529-Y664 HydrophobicContact CD2-CG 4.15Å; Q555-Y664 WeakPolarHBondContact O-CD2 3.44Å; L556-Y664 PolarHBondContact O-N 3.25Å; N558-Y664 PolarHBondContact N-O 3.39Å; Y664-S670 WeakPolarHBondContact CA-O 3.13Å; Y664-R671 HydrophobicContact CE1-CB 4.4Å
665S71.8Confident59.7Low4 Ų479.5 Ų79.53%0.02841%0.414CS..  trans-77.1143169.9-174.10000111.3H561 K667 S670H561-S665 PolarHBondContact NE2-OG 3.01Å; S665-K667 VanDerWaalsContact C-N 3.3Å; S665-K667 PolarHBondContact OG-N 3.03Å; S665-S670 PolarHBondContact N-O 3.03Å; S665-S670 VanDerWaalsContact N-O 3.08Å
666I71.2Confident62.1Low20 Ų2072.9 Ų72.910%0.10338%0.378CS..THydrogen-bonded Turntrans-68-32.5169.9-59.5-172.2000110.7I533 I537 I557 H561I533-I666 HydrophobicContact CG2-CG2 4.43Å; I537-I666 HydrophobicContact CD1-CG2 4.14Å; I557-I666 HydrophobicContact CD1-CG1 4.35Å; I557-I666 HydrophobicContact CG2-CD1 3.95Å; I557-I666 HydrophobicContact CG2-CG1 3.49Å; I557-I666 VanDerWaalsContact CG2-CG1 3.49Å; H561-I666 HydrophobicContact CB-CB 4.44Å; H561-I666 HydrophobicContact CB-CD1 3.63Å; H561-I666 HydrophobicContact CB-CG1 3.78Å
667K60.6Low64.4Low47 Ų4770.3 Ų70.320%0.20437%0.369CS..THydrogen-bonded Turntrans-78.6-71.9-174.2-34.2-170.4-163.5-171.30112.5E579 P581 S665 R669E579-K667 VanDerWaalsContact N-NZ 3.11Å; E579-K667 VanDerWaalsContact O-CD 3.24Å; E579-K667 WeakPolarHBondContact O-CD 3.2Å; E579-K667 WeakPolarHBondContact O-CE 3.34Å; E579-K667 PolarHBondContact O-NZ 2.92Å; P581-K667 HydrophobicContact CG-CB 3.75Å; P581-K667 HydrophobicContact CG-CG 3.8Å; S665-K667 VanDerWaalsContact C-N 3.3Å; S665-K667 PolarHBondContact OG-N 3.03Å; K667-R669 PolarHBondContact O-N 3.46Å
668D55.4Low66.9Low120 Ų12068.3 Ų68.364%0.64235%0.349SS*.THydrogen-bonded Turntrans-84.7-2.4-164-52-33.3000111.8S670D668-S670 PolarHBondContact O-N 3.33Å
669R58.8Low68.9Low127 Ų12762.9 Ų62.948%0.47932%0.316SS..  trans58.119-176-50143.4-167-159.78.3111.7K667K667-R669 PolarHBondContact O-N 3.46Å
670S60.6Low70.3Confident46 Ų4656.5 Ų56.532%0.32228%0.282SS..  trans-91.1151.9-17065.30000111.2Y664 S665 D668 M672Y664-S670 WeakPolarHBondContact CA-O 3.13Å; S665-S670 PolarHBondContact N-O 3.03Å; S665-S670 VanDerWaalsContact N-O 3.08Å; D668-S670 PolarHBondContact O-N 3.33Å; S670-M672 PolarHBondContact O-N 2.88Å
671R63.2Low71.5Confident154 Ų15457.8 Ų57.858%0.58128%0.277SS*.EExtended strand (participates in β ladder)trans-78.4101.6173.1-176.7-172.7-173.1-156.98108.4E662 Y664E662-R671 IonicContact OE1-CZ 2.76Å; E662-R671 IonicContact OE1-NE 3.19Å; E662-R671 IonicContact OE1-NH2 2.71Å; E662-R671 PolarHBondContact OE1-NH2 3.42Å; E662-R671 IonicContact OE2-CZ 2.75Å; E662-R671 IonicContact OE2-NE 3.19Å; E662-R671 PolarHBondContact OE2-NE 3.25Å; E662-R671 IonicContact OE2-NH2 3.85Å; E662-R671 PolarHBondContact OE2-NH2 3.02Å; Y664-R671 HydrophobicContact CE1-CB 4.4Å
672M67.6Low72.4Confident65 Ų6556.8 Ų56.832%0.3227%0.273SS..EExtended strand (participates in β ladder)trans-80.7145.6171.7-59.5-174.282.400109.8N558 E662 C663 S670N558-M672 HydrophobicContact CB-SD 4.3Å; N558-M672 PolarHBondContact ND2-SD 3.13Å; N558-M672 VanDerWaalsContact ND2-SD 3.35Å; E662-M672 WeakPolarHBondContact CA-O 3.46Å; C663-M672 PolarHBondContact N-O 3.08Å; C663-M672 WeakPolarHBondContact O-CA 3.49Å; C663-M672 PolarHBondContact O-N 2.98Å; S670-M672 PolarHBondContact O-N 2.88Å
673I69.9Low73.1Confident112 Ų11252.8 Ų52.857%0.57426%0.255SS*.EExtended strand (participates in β ladder)trans-116.3112.7169.1-57.3179.6000107.2F661F661-I673 WeakPolarHBondContact O-CA 3.43Å
674M71.8Confident73.7Confident21 Ų2152.9 Ų52.910%0.10326%0.255CS..EExtended strand (participates in β ladder)trans-102.4152178-78.2-17067.100111.7N558 I560 G660 F661 Y676 L679N558-M674 PolarHBondContact OD1-SD 3.03Å; I560-M674 HydrophobicContact CD1-CE 3.6Å; I560-M674 HydrophobicContact CD1-SD 4.11Å; I560-M674 HydrophobicContact CG1-CE 4.37Å; G660-M674 WeakPolarHBondContact CA-O 3.45Å; F661-M674 PolarHBondContact N-O 3.27Å; F661-M674 PolarHBondContact O-N 3.32Å; M674-Y676 PolarHBondContact O-N 2.78Å; M674-L679 HydrophobicContact CE-CB 4.27Å; M674-L679 HydrophobicContact CE-CD1 4.2Å; M674-L679 HydrophobicContact SD-CD1 4.39Å
675S75.6Confident74.4Confident59 Ų5949.5 Ų49.541%0.41324%0.242SC..EExtended strand (participates in β ladder)trans-62.2129.9164.1179.40000109.5T677 K678 L679S675-T677 PolarHBondContact O-N 2.91Å; S675-T677 PolarHBondContact OG-N 3.3Å; S675-T677 PolarHBondContact OG-OG1 2.92Å; S675-T677 VanDerWaalsContact OG-OG1 3.13Å; S675-K678 PolarHBondContact O-N 3.18Å; S675-L679 PolarHBondContact O-N 2.94Å
676Y78.2Confident75.1Confident25 Ų2549.4 Ų49.410%0.09824%0.241CC..Hα-helixtrans-53.4-35.8172-178.5-86.6000112.7L610 K611 Q614 N659 M674 L680L610-Y676 HydrophobicContact CB-CD2 4.48Å; L610-Y676 HydrophobicContact CB-CE2 3.56Å; L610-Y676 HydrophobicContact CD2-CD2 3.74Å; L610-Y676 HydrophobicContact CD2-CE2 3.64Å; L610-Y676 HydrophobicContact CG-CE2 4.19Å; L610-Y676 WeakPolarHBondContact O-CE2 3.28Å; L610-Y676 PolarHBondContact O-OH 3.08Å; L610-Y676 VanDerWaalsContact O-OH 3.05Å; K611-Y676 WeakPolarHBondContact CA-OH 3.35Å; K611-Y676 PolarHBondContact N-OH 3.26Å; Q614-Y676 HydrophobicContact CB-CE2 4.49Å; Q614-Y676 VanDerWaalsContact CD-CZ 3.47Å; Q614-Y676 VanDerWaalsContact CD-OH 3.25Å; Q614-Y676 HydrophobicContact CG-CE1 3.76Å; Q614-Y676 HydrophobicContact CG-CE2 4.4Å; Q614-Y676 PolarHBondContact OE1-OH 3.34Å; N659-Y676 PolarHBondContact O-N 2.92Å; M674-Y676 PolarHBondContact O-N 2.78Å; Y676-L680 HydrophobicContact CD1-CD1 4.18Å; Y676-L680 HydrophobicContact CE1-CD1 3.33Å; Y676-L680 HydrophobicContact CE1-CG 4.03Å; Y676-L680 PolarHBondContact O-N 3.45Å
677T79Confident75.9Confident74 Ų7448.4 Ų48.445%0.45424%0.236SC..Hα-helixtrans-69-55.1-17872.60000111S675 L679 L680 E681S675-T677 PolarHBondContact O-N 2.91Å; S675-T677 PolarHBondContact OG-N 3.3Å; S675-T677 PolarHBondContact OG-OG1 2.92Å; S675-T677 VanDerWaalsContact OG-OG1 3.13Å; T677-L679 PolarHBondContact O-N 3.26Å; T677-L679 VanDerWaalsContact O-N 3.14Å; T677-L680 CarbonylContact O-C 3.58Å; T677-L680 PolarHBondContact O-N 2.75Å; T677-E681 VanDerWaalsContact C-CD 3.48Å; T677-E681 WeakPolarHBondContact CB-OE1 3.4Å; T677-E681 VanDerWaalsContact O-CG 3.27Å; T677-E681 WeakPolarHBondContact O-CG 3.34Å; T677-E681 PolarHBondContact O-N 3.13Å; T677-E681 PolarHBondContact OG1-OE1 2.88Å
678K81Confident77.2Confident83 Ų8346.2 Ų46.236%0.36123%0.227SC..Hα-helixtrans-55.8-37-179.9-176.3169.5-177-179.60112.2E574 S675 E681 L682E574-K678 WeakPolarHBondContact OE1-CE 3.47Å; E574-K678 IonicContact OE1-NZ 2.75Å; E574-K678 PolarHBondContact OE1-NZ 3.38Å; S675-K678 PolarHBondContact O-N 3.18Å; K678-E681 WeakPolarHBondContact CA-OE2 3.47Å; K678-E681 PolarHBondContact N-OE1 3.41Å; K678-E681 PolarHBondContact O-N 3.32Å; K678-L682 HydrophobicContact CG-CD1 4.34Å; K678-L682 PolarHBondContact O-N 3.17Å; K678-L682 VanDerWaalsContact O-N 3.11Å
679L82.5Confident78.7Confident0 Ų041.6 Ų41.60%020%0.201CC..Hα-helixtrans-69.3-40.9178.8-171.556.3000112.4P559 W606 L610 F661 M674 S675 T677 I683P559-L679 HydrophobicContact CB-CD1 4.04Å; P559-L679 HydrophobicContact CG-CD1 3.85Å; W606-L679 HydrophobicContact CE3-CD2 4.32Å; W606-L679 HydrophobicContact CZ3-CD2 4.12Å; L610-L679 HydrophobicContact CD1-CD2 4.1Å; L610-L679 HydrophobicContact CD1-CG 4.04Å; L610-L679 HydrophobicContact CD2-CD2 4.16Å; F661-L679 HydrophobicContact CD1-CD2 4.35Å; M674-L679 HydrophobicContact CE-CB 4.27Å; M674-L679 HydrophobicContact CE-CD1 4.2Å; M674-L679 HydrophobicContact SD-CD1 4.39Å; S675-L679 PolarHBondContact O-N 2.94Å; T677-L679 PolarHBondContact O-N 3.26Å; T677-L679 VanDerWaalsContact O-N 3.14Å; L679-I683 HydrophobicContact CD1-CD1 4.28Å; L679-I683 HydrophobicContact CG-CD1 4Å; L679-I683 VanDerWaalsContact O-CD1 3.31Å; L679-I683 WeakPolarHBondContact O-CD1 3.43Å; L679-I683 VanDerWaalsContact O-CG1 3.25Å; L679-I683 WeakPolarHBondContact O-CG1 3.48Å; L679-I683 PolarHBondContact O-N 3.28Å; L679-I683 VanDerWaalsContact O-N 3.11Å
680L83.6Confident80Confident7 Ų735.5 Ų35.54%0.03718%0.178CC..Hα-helixtrans-68.5-35.7171.7-84.7-170.1000113R607 L610 Y676 T677 L682 I683 D684 T708R607-L680 HydrophobicContact CG-CD2 4.42Å; L610-L680 HydrophobicContact CB-CD2 3.93Å; L610-L680 HydrophobicContact CB-CG 4.36Å; L610-L680 HydrophobicContact CD1-CD2 3.63Å; L610-L680 HydrophobicContact CD1-CG 4.04Å; L610-L680 HydrophobicContact CG-CD2 4.43Å; Y676-L680 HydrophobicContact CD1-CD1 4.18Å; Y676-L680 HydrophobicContact CE1-CD1 3.33Å; Y676-L680 HydrophobicContact CE1-CG 4.03Å; Y676-L680 PolarHBondContact O-N 3.45Å; T677-L680 CarbonylContact O-C 3.58Å; T677-L680 PolarHBondContact O-N 2.75Å; L680-L682 VanDerWaalsContact C-N 3.33Å; L680-L682 PolarHBondContact O-N 3.41Å; L680-I683 PolarHBondContact O-N 3.06Å; L680-D684 WeakPolarHBondContact O-CB 3.4Å; L680-D684 PolarHBondContact O-N 3.09Å; L680-T708 HydrophobicContact CB-CG2 4.26Å; L680-T708 WeakPolarHBondContact CB-OG1 3.4Å; L680-T708 HydrophobicContact CD1-CG2 4.48Å; L680-T708 PolarHBondContact O-OG1 3.45Å
681E84.8Confident81.2Confident66 Ų6634.3 Ų34.331%0.30817%0.166SC..Hα-helixtrans-57.9-47.3176.4-70.6151.3-144.300110.5T677 K678 T685 T708 I710T677-E681 VanDerWaalsContact C-CD 3.48Å; T677-E681 WeakPolarHBondContact CB-OE1 3.4Å; T677-E681 VanDerWaalsContact O-CG 3.27Å; T677-E681 WeakPolarHBondContact O-CG 3.34Å; T677-E681 PolarHBondContact O-N 3.13Å; T677-E681 PolarHBondContact OG1-OE1 2.88Å; K678-E681 WeakPolarHBondContact CA-OE2 3.47Å; K678-E681 PolarHBondContact N-OE1 3.41Å; K678-E681 PolarHBondContact O-N 3.32Å; E681-T685 WeakPolarHBondContact O-CB 3.48Å; E681-T685 PolarHBondContact O-N 3.41Å; E681-T685 PolarHBondContact O-OG1 2.94Å; E681-T708 WeakPolarHBondContact CA-O 3.46Å; E681-T708 WeakPolarHBondContact CG-O 3.38Å; E681-I710 HydrophobicContact CB-CG1 4.33Å
682L85.3Confident82.3Confident6 Ų627.5 Ų27.53%0.03114%0.142CC..Hα-helixtrans-61.4-53.5173-76.1163.7000112.4I560 L570 K678 L680 D684 T685 S686I560-L682 HydrophobicContact CD1-CD1 3.86Å; I560-L682 HydrophobicContact CG1-CD1 3.62Å; L570-L682 HydrophobicContact CD2-CD2 4.04Å; K678-L682 HydrophobicContact CG-CD1 4.34Å; K678-L682 PolarHBondContact O-N 3.17Å; K678-L682 VanDerWaalsContact O-N 3.11Å; L680-L682 VanDerWaalsContact C-N 3.33Å; L680-L682 PolarHBondContact O-N 3.41Å; L682-D684 PolarHBondContact O-N 3.34Å; L682-T685 PolarHBondContact O-N 3.08Å; L682-T685 VanDerWaalsContact O-N 3.14Å; L682-S686 PolarHBondContact O-N 3.03Å; L682-S686 PolarHBondContact O-OG 3.14Å
683I86.2Confident83Confident0 Ų027.8 Ų27.80%015%0.15CC..Hα-helixtrans-57.5-46.9-175.5-72.9161000112.1L603 W606 R607 L610 L679 L680 T685 S686 L687L603-I683 HydrophobicContact CB-CG2 4.31Å; L603-I683 HydrophobicContact CD2-CB 4.34Å; L603-I683 HydrophobicContact CD2-CG1 4.04Å; L603-I683 HydrophobicContact CD2-CG2 4.19Å; W606-I683 HydrophobicContact CB-CD1 3.73Å; R607-I683 HydrophobicContact CB-CG2 4.14Å; L610-I683 HydrophobicContact CD1-CD1 3.44Å; L610-I683 VanDerWaalsContact CD1-CD1 3.44Å; L679-I683 HydrophobicContact CD1-CD1 4.28Å; L679-I683 HydrophobicContact CG-CD1 4Å; L679-I683 VanDerWaalsContact O-CD1 3.31Å; L679-I683 WeakPolarHBondContact O-CD1 3.43Å; L679-I683 VanDerWaalsContact O-CG1 3.25Å; L679-I683 WeakPolarHBondContact O-CG1 3.48Å; L679-I683 PolarHBondContact O-N 3.28Å; L679-I683 VanDerWaalsContact O-N 3.11Å; L680-I683 PolarHBondContact O-N 3.06Å; I683-T685 VanDerWaalsContact C-N 3.32Å; I683-T685 PolarHBondContact O-N 3.09Å; I683-S686 PolarHBondContact O-N 2.84Å; I683-L687 HydrophobicContact CG2-CD1 4.05Å; I683-L687 WeakPolarHBondContact O-CB 3.25Å; I683-L687 VanDerWaalsContact O-CG 3.31Å; I683-L687 WeakPolarHBondContact O-CG 3.46Å; I683-L687 PolarHBondContact O-N 3.14Å
684D87.5Confident83.6Confident1 Ų125 Ų251%0.00514%0.138CC..Hα-helixtrans-71.3-28.4-178.5-82.816.8000112.1R607 L680 L682 L688 N707 T708 C709R607-D684 WeakPolarHBondContact CD-OD1 3.41Å; R607-D684 IonicContact CZ-OD1 2.95Å; R607-D684 IonicContact CZ-OD2 3.03Å; R607-D684 IonicContact NE-OD1 2.7Å; R607-D684 PolarHBondContact NE-OD1 3.13Å; R607-D684 IonicContact NE-OD2 3.89Å; R607-D684 PolarHBondContact NE-OD2 3.06Å; R607-D684 IonicContact NH2-OD1 3.57Å; R607-D684 IonicContact NH2-OD2 2.77Å; R607-D684 PolarHBondContact NH2-OD2 3.45Å; L680-D684 WeakPolarHBondContact O-CB 3.4Å; L680-D684 PolarHBondContact O-N 3.09Å; L682-D684 PolarHBondContact O-N 3.34Å; D684-L688 PolarHBondContact O-N 3.05Å; D684-L688 VanDerWaalsContact O-N 3.08Å; D684-N707 WeakPolarHBondContact OD2-CA 3.49Å; D684-T708 PolarHBondContact OD2-N 3.47Å; D684-T708 VanDerWaalsContact OD2-N 3.08Å; D684-T708 PolarHBondContact OD2-OG1 3Å; D684-C709 PolarHBondContact O-SG 3.17Å
685T87.4Confident84.1Confident3 Ų327.4 Ų27.42%0.01815%0.151CC..Hα-helixtrans-72.2-46173.7-49.80000111.7E681 L682 I683 L687 L688 K689 C709 I710 E713E681-T685 WeakPolarHBondContact O-CB 3.48Å; E681-T685 PolarHBondContact O-N 3.41Å; E681-T685 PolarHBondContact O-OG1 2.94Å; L682-T685 PolarHBondContact O-N 3.08Å; L682-T685 VanDerWaalsContact O-N 3.14Å; I683-T685 VanDerWaalsContact C-N 3.32Å; I683-T685 PolarHBondContact O-N 3.09Å; T685-L687 VanDerWaalsContact C-N 3.3Å; T685-L687 PolarHBondContact O-N 3.33Å; T685-L688 WeakPolarHBondContact O-CB 3.4Å; T685-L688 PolarHBondContact O-N 2.95Å; T685-K689 PolarHBondContact O-N 3.09Å; T685-C709 WeakPolarHBondContact OG1-CA 3.48Å; T685-I710 HydrophobicContact CG2-CB 4.37Å; T685-I710 PolarHBondContact OG1-N 3.45Å; T685-E713 HydrophobicContact CG2-CB 4.04Å; T685-E713 VanDerWaalsContact CG2-OE2 3.27Å; T685-E713 WeakPolarHBondContact CG2-OE2 3.48Å
686S87.4Confident84.4Confident1 Ų126.8 Ų26.81%0.00715%0.145CC..Hα-helixtrans-64.4-35175.1-55.90000111.8L682 I683 K689 C690L682-S686 PolarHBondContact O-N 3.03Å; L682-S686 PolarHBondContact O-OG 3.14Å; I683-S686 PolarHBondContact O-N 2.84Å; S686-K689 PolarHBondContact O-N 3.27Å; S686-C690 WeakPolarHBondContact O-CB 3.28Å; S686-C690 PolarHBondContact O-N 3.37Å; S686-C690 PolarHBondContact O-SG 3.41Å
687L88.6Confident84.6Confident0 Ų029 Ų290%017%0.168CC..Hα-helixtrans-62.3-42.1171.1-79.4171.5000112.3L603 L604 I683 T685 C690 Y691 L702L603-L687 HydrophobicContact CB-CD1 4.31Å; L603-L687 HydrophobicContact CB-CD2 3.6Å; L603-L687 HydrophobicContact CB-CG 3.76Å; L603-L687 HydrophobicContact CD1-CD2 4.11Å; L603-L687 HydrophobicContact CD1-CG 4.08Å; L604-L687 HydrophobicContact CD2-CD1 4.19Å; L604-L687 HydrophobicContact CD2-CD2 4.35Å; L604-L687 HydrophobicContact CG-CD2 4.16Å; I683-L687 HydrophobicContact CG2-CD1 4.05Å; I683-L687 WeakPolarHBondContact O-CB 3.25Å; I683-L687 VanDerWaalsContact O-CG 3.31Å; I683-L687 WeakPolarHBondContact O-CG 3.46Å; I683-L687 PolarHBondContact O-N 3.14Å; T685-L687 VanDerWaalsContact C-N 3.3Å; T685-L687 PolarHBondContact O-N 3.33Å; L687-C690 PolarHBondContact O-N 2.93Å; L687-Y691 HydrophobicContact CB-CE2 4.45Å; L687-Y691 WeakPolarHBondContact O-CB 3.47Å; L687-Y691 WeakPolarHBondContact O-CD2 3.27Å; L687-Y691 VanDerWaalsContact O-CG 3.27Å; L687-Y691 PolarHBondContact O-N 3.19Å; L687-L702 HydrophobicContact CB-CD2 4.13Å
688L87.5Confident84.9Confident1 Ų129.4 Ų29.41%0.00516%0.162CC..Hα-helixtrans-61.5-48.4175.6179.563.8000111.4D684 T685 C690 Y691 L692 V699 L702 L718D684-L688 PolarHBondContact O-N 3.05Å; D684-L688 VanDerWaalsContact O-N 3.08Å; T685-L688 WeakPolarHBondContact O-CB 3.4Å; T685-L688 PolarHBondContact O-N 2.95Å; L688-C690 PolarHBondContact O-N 3.24Å; L688-Y691 PolarHBondContact O-N 3.22Å; L688-L692 HydrophobicContact CD1-CD1 4.26Å; L688-L692 HydrophobicContact CD1-CG 4.43Å; L688-L692 HydrophobicContact CG-CD1 4.17Å; L688-L692 WeakPolarHBondContact O-CG 3.44Å; L688-L692 PolarHBondContact O-N 2.86Å; L688-V699 HydrophobicContact CD1-CG1 3.69Å; L688-V699 HydrophobicContact CD1-CG2 4.39Å; L688-L702 HydrophobicContact CB-CD2 4.27Å; L688-L718 HydrophobicContact CD1-CD2 4.39Å
689K86.4Confident85.1Confident22 Ų2225.5 Ų25.510%0.09615%0.145CC..Hα-helixtrans-55.2-51.5174.5-67.4177.7-175.6176.30110.7G568 M569 T685 S686 Y691 L692 S693 E713 T717G568-K689 PolarHBondContact O-NZ 2.98Å; M569-K689 HydrophobicContact CE-CB 4Å; M569-K689 HydrophobicContact CE-CD 4.36Å; M569-K689 PolarHBondContact O-NZ 2.95Å; M569-K689 HydrophobicContact SD-CB 4.33Å; T685-K689 PolarHBondContact O-N 3.09Å; S686-K689 PolarHBondContact O-N 3.27Å; K689-Y691 PolarHBondContact O-N 2.71Å; K689-L692 PolarHBondContact O-N 3.05Å; K689-S693 PolarHBondContact O-N 3.15Å; K689-S693 VanDerWaalsContact O-N 3.13Å; K689-S693 PolarHBondContact O-OG 3.37Å; K689-E713 WeakPolarHBondContact CE-OE2 3.29Å; K689-E713 IonicContact NZ-OE1 2.8Å; K689-E713 PolarHBondContact NZ-OE1 3.34Å; K689-E713 IonicContact NZ-OE2 3.82Å; K689-E713 PolarHBondContact NZ-OE2 3.13Å; K689-T717 HydrophobicContact CG-CG2 4.44Å
690C85.3Confident85.1Confident0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-60.7-39179-67.80000113.4F596 I600 S686 L687 L688 S693 T694F596-C690 HydrophobicContact CD1-CB 4.36Å; I600-C690 HydrophobicContact CD1-CB 4.05Å; I600-C690 HydrophobicContact CG1-CB 3.68Å; S686-C690 WeakPolarHBondContact O-CB 3.28Å; S686-C690 PolarHBondContact O-N 3.37Å; S686-C690 PolarHBondContact O-SG 3.41Å; L687-C690 PolarHBondContact O-N 2.93Å; L688-C690 PolarHBondContact O-N 3.24Å; C690-S693 PolarHBondContact O-N 3.19Å; C690-T694 WeakPolarHBondContact O-CB 3.46Å; C690-T694 WeakPolarHBondContact O-CG2 3.48Å; C690-T694 PolarHBondContact O-N 3.19Å; C690-T694 VanDerWaalsContact O-N 3.08Å; C690-T694 PolarHBondContact O-OG1 3.29Å
691Y87.2Confident85.1Confident20 Ų2028.5 Ų28.58%0.07817%0.166CC..Hα-helixtrans-73-33.7178.9-69.3-23.7000113.3I600 L687 L688 K689 S693 T694 N695 T696 R698 L702I600-Y691 HydrophobicContact CD1-CD1 3.95Å; I600-Y691 HydrophobicContact CD1-CE1 4Å; I600-Y691 HydrophobicContact CG1-CD1 4.31Å; I600-Y691 HydrophobicContact CG1-CE1 4.07Å; I600-Y691 HydrophobicContact CG2-CE1 3.77Å; L687-Y691 HydrophobicContact CB-CE2 4.45Å; L687-Y691 WeakPolarHBondContact O-CB 3.47Å; L687-Y691 WeakPolarHBondContact O-CD2 3.27Å; L687-Y691 VanDerWaalsContact O-CG 3.27Å; L687-Y691 PolarHBondContact O-N 3.19Å; L688-Y691 PolarHBondContact O-N 3.22Å; K689-Y691 PolarHBondContact O-N 2.71Å; Y691-S693 VanDerWaalsContact C-N 3.33Å; Y691-T694 PolarHBondContact O-N 2.87Å; Y691-N695 CarbonylContact O-C 3.58Å; Y691-N695 PolarHBondContact O-N 3.45Å; Y691-T696 PolarHBondContact O-N 2.97Å; Y691-R698 HydrophobicContact CD1-CB 3.81Å; Y691-R698 HydrophobicContact CD1-CG 4.45Å; Y691-R698 HydrophobicContact CD2-CB 3.96Å; Y691-R698 HydrophobicContact CE1-CB 4.11Å; Y691-R698 HydrophobicContact CE2-CB 4.27Å; Y691-R698 HydrophobicContact CG-CB 3.73Å; Y691-L702 HydrophobicContact CD2-CB 4.28Å; Y691-L702 HydrophobicContact CD2-CD2 3.86Å; Y691-L702 HydrophobicContact CE2-CB 4.14Å; Y691-L702 HydrophobicContact CE2-CD2 3.96Å; Y691-L702 HydrophobicContact CE2-CG 4.43Å
692L85.2Confident85.1Confident12 Ų1225.6 Ų25.66%0.06315%0.153CC..Hα-helixtrans-64-39.9171.8-71.4168.3000111.3L688 K689 V699 L718 H721L688-L692 HydrophobicContact CD1-CD1 4.26Å; L688-L692 HydrophobicContact CD1-CG 4.43Å; L688-L692 HydrophobicContact CG-CD1 4.17Å; L688-L692 WeakPolarHBondContact O-CG 3.44Å; L688-L692 PolarHBondContact O-N 2.86Å; K689-L692 PolarHBondContact O-N 3.05Å; L692-V699 HydrophobicContact CD2-CG2 3.99Å; L692-V699 HydrophobicContact CG-CG2 4.2Å; L692-L718 HydrophobicContact CD1-CD2 4.36Å; L692-L718 HydrophobicContact CD2-CD2 4.21Å; L692-H721 HydrophobicContact CD2-CB 4.12Å
693S82.8Confident85Confident70 Ų7025.5 Ų25.549%0.4915%0.152SC..Hα-helixtrans-77.8-13.6177.3-53.60000115.8K689 C690 Y691K689-S693 PolarHBondContact O-N 3.15Å; K689-S693 VanDerWaalsContact O-N 3.13Å; K689-S693 PolarHBondContact O-OG 3.37Å; C690-S693 PolarHBondContact O-N 3.19Å; Y691-S693 VanDerWaalsContact C-N 3.33Å
694T83.1Confident84.7Confident53 Ų5333.6 Ų33.633%0.32518%0.183SC..Hα-helixtrans-117.4-56.6-176.252.40000114.2F596 I600 C690 Y691F596-T694 HydrophobicContact CB-CG2 3.49Å; F596-T694 VanDerWaalsContact CB-CG2 3.49Å; F596-T694 HydrophobicContact CD2-CG2 4.09Å; F596-T694 HydrophobicContact CG-CG2 3.97Å; I600-T694 HydrophobicContact CD1-CG2 4.16Å; C690-T694 WeakPolarHBondContact O-CB 3.46Å; C690-T694 WeakPolarHBondContact O-CG2 3.48Å; C690-T694 PolarHBondContact O-N 3.19Å; C690-T694 VanDerWaalsContact O-N 3.08Å; C690-T694 PolarHBondContact O-OG1 3.29Å; Y691-T694 PolarHBondContact O-N 2.87Å
695N82.3Confident84.3Confident73 Ų7338.6 Ų38.639%0.3921%0.206SC..  trans-155.7102.2-177.5-174.9-24.6000110.6Y691 A697 R698Y691-N695 CarbonylContact O-C 3.58Å; Y691-N695 PolarHBondContact O-N 3.45Å; N695-A697 PolarHBondContact O-N 2.87Å; N695-A697 VanDerWaalsContact O-N 3.08Å; N695-A697 VanDerWaalsContact OD1-CB 3.28Å; N695-A697 WeakPolarHBondContact OD1-CB 3.48Å; N695-A697 PolarHBondContact OD1-N 3.36Å; N695-R698 HydrophobicContact CB-CG 4.24Å; N695-R698 WeakPolarHBondContact O-CB 3.46Å; N695-R698 PolarHBondContact O-N 3.04Å
696T81.6Confident83.6Confident46 Ų4645.7 Ų45.728%0.28224%0.239SC..G310 helixtrans-56.9-25.8-177.959.90000114Y691 R698 V699 R723Y691-T696 PolarHBondContact O-N 2.97Å; T696-R698 PolarHBondContact O-N 3.37Å; T696-V699 WeakPolarHBondContact O-CB 3.5Å; T696-V699 WeakPolarHBondContact O-CG2 3.44Å; T696-V699 PolarHBondContact O-N 3.35Å; T696-R723 PolarHBondContact OG1-NH2 3.42Å
697A83Confident83.2Confident71 Ų7146.5 Ų46.559%0.58724%0.243SC*.G310 helixtrans-65.2-19.2176.100000113.3N695 V699 P701N695-A697 PolarHBondContact O-N 2.87Å; N695-A697 VanDerWaalsContact O-N 3.08Å; N695-A697 VanDerWaalsContact OD1-CB 3.28Å; N695-A697 WeakPolarHBondContact OD1-CB 3.48Å; N695-A697 PolarHBondContact OD1-N 3.36Å; A697-V699 VanDerWaalsContact C-N 3.35Å; A697-P701 WeakPolarHBondContact O-CD 3.49Å
698R85.1Confident82.8Confident83 Ų8348.6 Ų48.631%0.31326%0.256SS..G310 helixtrans-77.6-16.6174.1-61.4-179.3-180168.3-0.4113.4E597 Y691 N695 T696 P701 L702E597-R698 IonicContact OE1-CZ 2.59Å; E597-R698 IonicContact OE1-NH1 3.74Å; E597-R698 PolarHBondContact OE1-NH1 3.32Å; E597-R698 IonicContact OE1-NH2 2.73Å; E597-R698 PolarHBondContact OE1-NH2 3.03Å; E597-R698 IonicContact OE2-NH1 2.75Å; E597-R698 PolarHBondContact OE2-NH1 3.01Å; E597-R698 IonicContact OE2-NH2 3.06Å; Y691-R698 HydrophobicContact CD1-CB 3.81Å; Y691-R698 HydrophobicContact CD1-CG 4.45Å; Y691-R698 HydrophobicContact CD2-CB 3.96Å; Y691-R698 HydrophobicContact CE1-CB 4.11Å; Y691-R698 HydrophobicContact CE2-CB 4.27Å; Y691-R698 HydrophobicContact CG-CB 3.73Å; N695-R698 HydrophobicContact CB-CG 4.24Å; N695-R698 WeakPolarHBondContact O-CB 3.46Å; N695-R698 PolarHBondContact O-N 3.04Å; T696-R698 PolarHBondContact O-N 3.37Å; R698-P701 WeakPolarHBondContact O-CD 3.35Å; R698-L702 PolarHBondContact O-N 3.42Å
699V85.1Confident82.5Confident1 Ų148.5 Ų48.51%0.00626%0.255CS..Hα-helixtrans-69.9-49.2-1781780000112L688 L692 T696 A697 L702 L703 L718 E726L688-V699 HydrophobicContact CD1-CG1 3.69Å; L688-V699 HydrophobicContact CD1-CG2 4.39Å; L692-V699 HydrophobicContact CD2-CG2 3.99Å; L692-V699 HydrophobicContact CG-CG2 4.2Å; T696-V699 WeakPolarHBondContact O-CB 3.5Å; T696-V699 WeakPolarHBondContact O-CG2 3.44Å; T696-V699 PolarHBondContact O-N 3.35Å; A697-V699 VanDerWaalsContact C-N 3.35Å; V699-L702 WeakPolarHBondContact O-CB 3.44Å; V699-L702 PolarHBondContact O-N 3.02Å; V699-L703 HydrophobicContact CG1-CD1 3.8Å; V699-L703 HydrophobicContact CG1-CG 4.25Å; V699-L703 PolarHBondContact O-N 2.86Å; V699-L718 HydrophobicContact CG1-CD2 4.33Å; V699-E726 HydrophobicContact CG1-CB 4.24Å; V699-E726 HydrophobicContact CG1-CG 4.04Å
700A81.3Confident82.3Confident16 Ų1649.8 Ų49.813%0.13226%0.263CS..Hα-helixtrans-62.2-39.3-178.100000113.8L702 R704 M729A700-L702 VanDerWaalsContact C-N 3.34Å; A700-L702 PolarHBondContact O-N 3.06Å; A700-R704 WeakPolarHBondContact O-CB 3.43Å; A700-R704 WeakPolarHBondContact O-CG 3.47Å; A700-R704 PolarHBondContact O-N 2.71Å; A700-R704 VanDerWaalsContact O-N 3.07Å; A700-M729 HydrophobicContact CB-CE 3.69Å
701P84.8Confident82.1Confident53 Ų5352.5 Ų52.534%0.34428%0.277SS..Hα-helixtrans-60.2-34167.7-26.835.2000115.2A697 R698 Q705A697-P701 WeakPolarHBondContact O-CD 3.49Å; R698-P701 WeakPolarHBondContact O-CD 3.35Å; P701-Q705 WeakPolarHBondContact O-CG 3.19Å
702L83.9Confident81.9Confident6 Ų658 Ų583%0.03131%0.308CS..Hα-helixtrans-68.7-47.6177.1179.665000111.1L687 L688 Y691 R698 V699 A700 Q705L687-L702 HydrophobicContact CB-CD2 4.13Å; L688-L702 HydrophobicContact CB-CD2 4.27Å; Y691-L702 HydrophobicContact CD2-CB 4.28Å; Y691-L702 HydrophobicContact CD2-CD2 3.86Å; Y691-L702 HydrophobicContact CE2-CB 4.14Å; Y691-L702 HydrophobicContact CE2-CD2 3.96Å; Y691-L702 HydrophobicContact CE2-CG 4.43Å; R698-L702 PolarHBondContact O-N 3.42Å; V699-L702 WeakPolarHBondContact O-CB 3.44Å; V699-L702 PolarHBondContact O-N 3.02Å; A700-L702 VanDerWaalsContact C-N 3.34Å; A700-L702 PolarHBondContact O-N 3.06Å; L702-Q705 PolarHBondContact O-N 2.78Å
703L83.5Confident81.8Confident3 Ų359.4 Ų59.42%0.01631%0.314CS..Hα-helixtrans-72.6-28.8-176.9-62.5177.1000113.4V699 Q705 N707 L718 E726 M729 L730V699-L703 HydrophobicContact CG1-CD1 3.8Å; V699-L703 HydrophobicContact CG1-CG 4.25Å; V699-L703 PolarHBondContact O-N 2.86Å; L703-Q705 PolarHBondContact O-N 3.41Å; L703-N707 PolarHBondContact O-ND2 3.43Å; L703-L718 HydrophobicContact CD1-CD1 4.37Å; L703-E726 HydrophobicContact CD1-CB 3.89Å; L703-E726 WeakPolarHBondContact CD1-O 3.36Å; L703-M729 HydrophobicContact CB-CB 4.39Å; L703-L730 HydrophobicContact CD1-CB 4.42Å; L703-L730 HydrophobicContact CD2-CB 4.36Å; L703-L730 HydrophobicContact CD2-CD1 4.01Å
704R79.4Confident81.9Confident171 Ų17156 Ų5665%0.64529%0.291SS*.THydrogen-bonded Turntrans-72.3-12.8171.3-74.6-170.6-62.2-105.54.3114A700 M729A700-R704 WeakPolarHBondContact O-CB 3.43Å; A700-R704 WeakPolarHBondContact O-CG 3.47Å; A700-R704 PolarHBondContact O-N 2.71Å; A700-R704 VanDerWaalsContact O-N 3.07Å; R704-M729 HydrophobicContact CG-SD 4.11Å
705Q78.9Confident82Confident105 Ų10554.3 Ų54.349%0.49128%0.28SS..SBendtrans-94.3159.2172.2-69.5174.410.600110.3P701 L702 L703 N707P701-Q705 WeakPolarHBondContact O-CG 3.19Å; L702-Q705 PolarHBondContact O-N 2.78Å; L703-Q705 PolarHBondContact O-N 3.41Å; Q705-N707 PolarHBondContact O-N 3.49Å; Q705-N707 PolarHBondContact O-ND2 2.83Å; Q705-N707 VanDerWaalsContact O-ND2 3.08Å
706E72.7Confident82.1Confident153 Ų15357 Ų5772%0.71529%0.288SS*.  trans-49.2110163.3-65.9176.5154.700110.1R607 K611R607-E706 PolarHBondContact NH2-O 3.33Å; K611-E706 PolarHBondContact NZ-O 2.78Å; K611-E706 VanDerWaalsContact NZ-O 3.13Å; K611-E706 IonicContact NZ-OE2 3.83Å; K611-E706 PolarHBondContact NZ-OE2 3.01Å; K611-E706 VanDerWaalsContact NZ-OE2 3.09Å
707N80.5Confident82.3Confident17 Ų1755.6 Ų55.69%0.09128%0.28CS..  trans-127.9150.8-175.371.381.2000111D684 L703 Q705 S733 R734D684-N707 WeakPolarHBondContact OD2-CA 3.49Å; L703-N707 PolarHBondContact O-ND2 3.43Å; Q705-N707 PolarHBondContact O-N 3.49Å; Q705-N707 PolarHBondContact O-ND2 2.83Å; Q705-N707 VanDerWaalsContact O-ND2 3.08Å; N707-S733 PolarHBondContact ND2-OG 3.43Å; N707-R734 PolarHBondContact O-NH2 3.45Å; N707-R734 PolarHBondContact OD1-NH2 2.89Å
708T78.9Confident82.4Confident44 Ų4452.2 Ų52.227%0.2725%0.252SS..  trans-118.78.1-17641.10000114L680 E681 D684L680-T708 HydrophobicContact CB-CG2 4.26Å; L680-T708 WeakPolarHBondContact CB-OG1 3.4Å; L680-T708 HydrophobicContact CD1-CG2 4.48Å; L680-T708 PolarHBondContact O-OG1 3.45Å; E681-T708 WeakPolarHBondContact CA-O 3.46Å; E681-T708 WeakPolarHBondContact CG-O 3.38Å; D684-T708 PolarHBondContact OD2-N 3.47Å; D684-T708 VanDerWaalsContact OD2-N 3.08Å; D684-T708 PolarHBondContact OD2-OG1 3Å
709C81.6Confident82.3Confident0 Ų050.7 Ų50.70%025%0.25CC..  trans-38.7140.8178.5-45.40000114.1D684 T685 L711 R734D684-C709 PolarHBondContact O-SG 3.17Å; T685-C709 WeakPolarHBondContact OG1-CA 3.48Å; C709-L711 PolarHBondContact O-N 3.27Å; C709-R734 PolarHBondContact O-NH1 3.32Å; C709-R734 PolarHBondContact O-NH2 2.77Å
710I83Confident82.2Confident48 Ų4856.2 Ų56.225%0.24628%0.275CS..  trans-67.1126.5174.6-62.7167.3000108.4E681 T685 E713 S714E681-I710 HydrophobicContact CB-CG1 4.33Å; T685-I710 HydrophobicContact CG2-CB 4.37Å; T685-I710 PolarHBondContact OG1-N 3.45Å; I710-E713 HydrophobicContact CB-CB 4.48Å; I710-E713 HydrophobicContact CG2-CB 4.46Å; I710-E713 HydrophobicContact CG2-CG 4.27Å; I710-S714 VanDerWaalsContact O-CB 3.3Å; I710-S714 WeakPolarHBondContact O-CB 3.39Å; I710-S714 PolarHBondContact O-N 2.78Å; I710-S714 PolarHBondContact O-OG 2.88Å
711L80.7Confident82.3Confident57 Ų5759.4 Ų59.430%0.29829%0.287SS..Hα-helixtrans-59.5-54.7-171.6-86.5169.1000112.2C709 E713 S714 V715 R734 L736C709-L711 PolarHBondContact O-N 3.27Å; L711-E713 PolarHBondContact O-N 2.9Å; L711-S714 PolarHBondContact O-N 3.2Å; L711-S714 VanDerWaalsContact O-N 3.17Å; L711-S714 PolarHBondContact O-OG 2.7Å; L711-S714 VanDerWaalsContact O-OG 3.08Å; L711-V715 WeakPolarHBondContact O-CB 2.93Å; L711-V715 WeakPolarHBondContact O-CG2 3.24Å; L711-V715 PolarHBondContact O-N 2.64Å; L711-R734 HydrophobicContact CD2-CB 4.28Å; L711-R734 HydrophobicContact CD2-CG 3.86Å; L711-L736 HydrophobicContact CD1-CD1 3.99Å; L711-L736 HydrophobicContact CD2-CD1 3.69Å
712D82.6Confident82.1Confident135 Ų13563.4 Ų63.472%0.72230%0.299SS*.Hα-helixtrans-63.1-41.1-172.8-50.4-61.5000112.2K716D712-K716 VanDerWaalsContact O-CB 3.27Å; D712-K716 WeakPolarHBondContact O-CB 3.29Å; D712-K716 PolarHBondContact O-N 3.3Å
713E82.6Confident82.1Confident42 Ų4267.3 Ų67.320%0.19631%0.313CS..Hα-helixtrans-68.6-40.2174.9-66.6-150.5145.900112.8S571 T685 K689 I710 L711 K716 T717S571-E713 WeakPolarHBondContact CA-OE1 3.32Å; S571-E713 WeakPolarHBondContact CB-OE1 3.27Å; T685-E713 HydrophobicContact CG2-CB 4.04Å; T685-E713 VanDerWaalsContact CG2-OE2 3.27Å; T685-E713 WeakPolarHBondContact CG2-OE2 3.48Å; K689-E713 WeakPolarHBondContact CE-OE2 3.29Å; K689-E713 IonicContact NZ-OE1 2.8Å; K689-E713 PolarHBondContact NZ-OE1 3.34Å; K689-E713 IonicContact NZ-OE2 3.82Å; K689-E713 PolarHBondContact NZ-OE2 3.13Å; I710-E713 HydrophobicContact CB-CB 4.48Å; I710-E713 HydrophobicContact CG2-CB 4.46Å; I710-E713 HydrophobicContact CG2-CG 4.27Å; L711-E713 PolarHBondContact O-N 2.9Å; E713-K716 PolarHBondContact O-N 3.09Å; E713-T717 WeakPolarHBondContact O-CB 3.41Å; E713-T717 WeakPolarHBondContact O-CG2 3.45Å; E713-T717 PolarHBondContact O-N 3.16Å; E713-T717 PolarHBondContact O-OG1 3.38Å
714S85Confident82Confident0 Ų068.2 Ų68.20%032%0.317CS..Hα-helixtrans-72.9-34.3-178.954.20000112.7I710 L711 T717 L718 L730I710-S714 VanDerWaalsContact O-CB 3.3Å; I710-S714 WeakPolarHBondContact O-CB 3.39Å; I710-S714 PolarHBondContact O-N 2.78Å; I710-S714 PolarHBondContact O-OG 2.88Å; L711-S714 PolarHBondContact O-N 3.2Å; L711-S714 VanDerWaalsContact O-N 3.17Å; L711-S714 PolarHBondContact O-OG 2.7Å; L711-S714 VanDerWaalsContact O-OG 3.08Å; S714-T717 PolarHBondContact O-OG1 3.5Å; S714-L718 VanDerWaalsContact O-CB 3.31Å; S714-L718 WeakPolarHBondContact O-CB 3.39Å; S714-L718 WeakPolarHBondContact O-CD1 3.33Å; S714-L718 WeakPolarHBondContact O-CG 3.42Å; S714-L718 PolarHBondContact O-N 3.43Å; S714-L718 VanDerWaalsContact O-N 3.1Å; S714-L730 WeakPolarHBondContact OG-CD2 3.48Å
715V85.5Confident82.2Confident17 Ų1763.4 Ų63.410%0.10330%0.302CS..Hα-helixtrans-65.5-49.8169.9171.90000110.5L711 T717 L718 L719 L727 L730 Y731L711-V715 WeakPolarHBondContact O-CB 2.93Å; L711-V715 WeakPolarHBondContact O-CG2 3.24Å; L711-V715 PolarHBondContact O-N 2.64Å; V715-T717 PolarHBondContact O-N 2.73Å; V715-L718 PolarHBondContact O-N 3.47Å; V715-L719 HydrophobicContact CG1-CD1 3.78Å; V715-L719 HydrophobicContact CG1-CG 4.46Å; V715-L719 WeakPolarHBondContact O-CB 3.47Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.41Å; V715-L719 PolarHBondContact O-N 3.11Å; V715-L727 HydrophobicContact CB-CD1 4.38Å; V715-L727 HydrophobicContact CG1-CD1 4.27Å; V715-L727 HydrophobicContact CG2-CD1 4.03Å; V715-L730 HydrophobicContact CG2-CD2 4.03Å; V715-Y731 HydrophobicContact CG2-CE1 3.66Å
716K85.2Confident82.4Confident128 Ų12859.3 Ų59.356%0.55728%0.283SS*.Hα-helixtrans-55.5-53.6177.8177.4178.8171.3-175.80111.8D712 E713 L718 L719 E720D712-K716 VanDerWaalsContact O-CB 3.27Å; D712-K716 WeakPolarHBondContact O-CB 3.29Å; D712-K716 PolarHBondContact O-N 3.3Å; E713-K716 PolarHBondContact O-N 3.09Å; K716-L718 PolarHBondContact O-N 3.38Å; K716-L719 PolarHBondContact O-N 2.68Å; K716-E720 WeakPolarHBondContact CE-OE1 3.42Å; K716-E720 WeakPolarHBondContact CG-OE1 3.5Å; K716-E720 WeakPolarHBondContact O-CG 3.29Å; K716-E720 PolarHBondContact O-N 3.01Å
717T84.2Confident83Confident18 Ų1852.1 Ų52.111%0.1125%0.249CC..Hα-helixtrans-66.8-34.3-176.950.70000113.4K689 E713 S714 V715 H721K689-T717 HydrophobicContact CG-CG2 4.44Å; E713-T717 WeakPolarHBondContact O-CB 3.41Å; E713-T717 WeakPolarHBondContact O-CG2 3.45Å; E713-T717 PolarHBondContact O-N 3.16Å; E713-T717 PolarHBondContact O-OG1 3.38Å; S714-T717 PolarHBondContact O-OG1 3.5Å; V715-T717 PolarHBondContact O-N 2.73Å; T717-H721 PolarHBondContact O-N 3.24Å; T717-H721 PolarHBondContact O-ND1 2.85Å
718L85.3Confident83.1Confident0 Ų051.6 Ų51.60%025%0.246CC..Hα-helixtrans-70.8-35.5174.1-72.8172.6000112.8L688 L692 V699 L703 S714 V715 K716 H721 K722 R723 E726 L727 L730L688-L718 HydrophobicContact CD1-CD2 4.39Å; L692-L718 HydrophobicContact CD1-CD2 4.36Å; L692-L718 HydrophobicContact CD2-CD2 4.21Å; V699-L718 HydrophobicContact CG1-CD2 4.33Å; L703-L718 HydrophobicContact CD1-CD1 4.37Å; S714-L718 VanDerWaalsContact O-CB 3.31Å; S714-L718 WeakPolarHBondContact O-CB 3.39Å; S714-L718 WeakPolarHBondContact O-CD1 3.33Å; S714-L718 WeakPolarHBondContact O-CG 3.42Å; S714-L718 PolarHBondContact O-N 3.43Å; S714-L718 VanDerWaalsContact O-N 3.1Å; V715-L718 PolarHBondContact O-N 3.47Å; K716-L718 PolarHBondContact O-N 3.38Å; L718-H721 PolarHBondContact O-N 3.46Å; L718-K722 PolarHBondContact O-N 2.98Å; L718-R723 HydrophobicContact CD2-CB 3.92Å; L718-R723 PolarHBondContact O-N 3.43Å; L718-E726 HydrophobicContact CD2-CB 3.96Å; L718-L727 HydrophobicContact CB-CB 4.48Å; L718-L727 HydrophobicContact CD1-CB 4.42Å; L718-L727 HydrophobicContact CD1-CD1 4.39Å; L718-L730 HydrophobicContact CD1-CB 4.18Å; L718-L730 HydrophobicContact CD1-CD2 3.81Å
719L84.1Confident83.4Confident51 Ų5150.6 Ų50.627%0.26724%0.239SC..Hα-helixtrans-67.5-44.1174.3-73.5170.6000111.7V715 K716 H721 K722 Y724 L727V715-L719 HydrophobicContact CG1-CD1 3.78Å; V715-L719 HydrophobicContact CG1-CG 4.46Å; V715-L719 WeakPolarHBondContact O-CB 3.47Å; V715-L719 VanDerWaalsContact O-CG 3.31Å; V715-L719 WeakPolarHBondContact O-CG 3.41Å; V715-L719 PolarHBondContact O-N 3.11Å; K716-L719 PolarHBondContact O-N 2.68Å; L719-H721 PolarHBondContact O-N 3.11Å; L719-K722 PolarHBondContact O-N 3.27Å; L719-Y724 HydrophobicContact CD2-CE1 4.31Å; L719-L727 HydrophobicContact CD2-CD2 3.65Å; L719-L727 HydrophobicContact CG-CD2 4.06Å
720E83.4Confident83.5Confident117 Ų11750.6 Ų50.655%0.54724%0.239SC..Hα-helixtrans-55.6-37.1174.4-73.8166169.600112.1K716K716-E720 WeakPolarHBondContact CE-OE1 3.42Å; K716-E720 WeakPolarHBondContact CG-OE1 3.5Å; K716-E720 WeakPolarHBondContact O-CG 3.29Å; K716-E720 PolarHBondContact O-N 3.01Å
721H82.9Confident83.6Confident82 Ų8249 Ų4938%0.3823%0.23SC..THydrogen-bonded Turntrans-89.35.4177.1-66.376.7000114.2L692 T717 L718 L719 R723L692-H721 HydrophobicContact CD2-CB 4.12Å; T717-H721 PolarHBondContact O-N 3.24Å; T717-H721 PolarHBondContact O-ND1 2.85Å; L718-H721 PolarHBondContact O-N 3.46Å; L719-H721 PolarHBondContact O-N 3.11Å; H721-R723 VanDerWaalsContact C-N 3.29Å; H721-R723 HydrophobicContact CB-CG 4.03Å; H721-R723 WeakPolarHBondContact O-CG 3.31Å; H721-R723 PolarHBondContact O-N 3.21Å
722K81.2Confident83.7Confident138 Ų13848.9 Ų48.960%0.623%0.228SC*.THydrogen-bonded Turntrans56.532.1-178-56.4-171.8177.1-170.10114.8L718 L719 Y724L718-K722 PolarHBondContact O-N 2.98Å; L719-K722 PolarHBondContact O-N 3.27Å; K722-Y724 HydrophobicContact CB-CE2 4.18Å; K722-Y724 VanDerWaalsContact O-CD2 3.26Å; K722-Y724 WeakPolarHBondContact O-CD2 3.42Å; K722-Y724 PolarHBondContact O-N 2.87Å
723R82.4Confident83.5Confident87 Ų8744.8 Ų44.833%0.32821%0.21SC..  trans-94.867.1-171.1-74.8-77.4165.8162.80.1113.4T696 L718 H721 Q725 E726 L727T696-R723 PolarHBondContact OG1-NH2 3.42Å; L718-R723 HydrophobicContact CD2-CB 3.92Å; L718-R723 PolarHBondContact O-N 3.43Å; H721-R723 VanDerWaalsContact C-N 3.29Å; H721-R723 HydrophobicContact CB-CG 4.03Å; H721-R723 WeakPolarHBondContact O-CG 3.31Å; H721-R723 PolarHBondContact O-N 3.21Å; R723-Q725 PolarHBondContact O-N 3.02Å; R723-E726 HydrophobicContact CB-CB 4.21Å; R723-E726 HydrophobicContact CB-CG 4.49Å; R723-E726 WeakPolarHBondContact CB-OE2 3.4Å; R723-E726 VanDerWaalsContact CD-OE1 3.22Å; R723-E726 WeakPolarHBondContact CD-OE1 3.43Å; R723-E726 VanDerWaalsContact CD-OE2 3.29Å; R723-E726 WeakPolarHBondContact CD-OE2 3.4Å; R723-E726 IonicContact CZ-OE1 2.85Å; R723-E726 IonicContact NE-OE1 3.13Å; R723-E726 IonicContact NH1-OE1 3.9Å; R723-E726 PolarHBondContact NH1-OE1 3.44Å; R723-E726 PolarHBondContact O-N 3.21Å; R723-L727 WeakPolarHBondContact O-CB 3.38Å; R723-L727 PolarHBondContact O-N 3.24Å
724Y82.2Confident83.3Confident22 Ų2246.3 Ų46.39%0.08621%0.214CC..Hα-helixtrans-65.5-34.3-174.3-57.7-78.9000114.6L719 K722 L727 I728 F747 L776 Y780 L784L719-Y724 HydrophobicContact CD2-CE1 4.31Å; K722-Y724 HydrophobicContact CB-CE2 4.18Å; K722-Y724 VanDerWaalsContact O-CD2 3.26Å; K722-Y724 WeakPolarHBondContact O-CD2 3.42Å; K722-Y724 PolarHBondContact O-N 2.87Å; Y724-L727 PolarHBondContact O-N 3.42Å; Y724-I728 VanDerWaalsContact O-CG1 3.32Å; Y724-I728 WeakPolarHBondContact O-CG1 3.17Å; Y724-I728 PolarHBondContact O-N 3.14Å; Y724-F747 HydrophobicContact CD1-CE2 4.2Å; Y724-F747 HydrophobicContact CD1-CZ 4.35Å; Y724-F747 HydrophobicContact CD2-CZ 4.07Å; Y724-F747 HydrophobicContact CE2-CZ 4.49Å; Y724-F747 HydrophobicContact CG-CE2 4.07Å; Y724-F747 AromaticContact CG-CZ 4Å; Y724-F747 HydrophobicContact CG-CZ 4Å; Y724-L776 HydrophobicContact CE1-CD2 3.99Å; Y724-Y780 AromaticContact CE2-CE1 3.8Å; Y724-Y780 HydrophobicContact CE2-CE1 3.8Å; Y724-Y780 PolarHBondContact OH-OH 3.25Å; Y724-L784 HydrophobicContact CD2-CD2 4.48Å
725Q82.9Confident82.9Confident70 Ų7048.3 Ų48.333%0.32724%0.235SC..Hα-helixtrans-69.5-38.5179.3-179.359.569.400111.3R723 M729R723-Q725 PolarHBondContact O-N 3.02Å; Q725-M729 HydrophobicContact CG-CE 4.47Å; Q725-M729 WeakPolarHBondContact O-CG 3.34Å; Q725-M729 PolarHBondContact O-N 3.15Å; Q725-M729 VanDerWaalsContact O-N 3.17Å
726E83Confident82.8Confident20 Ų2050.1 Ų50.19%0.09324%0.243CC..Hα-helixtrans-70.6-37.4173.9-62.385.216300111.4V699 L703 L718 R723 M729 L730V699-E726 HydrophobicContact CG1-CB 4.24Å; V699-E726 HydrophobicContact CG1-CG 4.04Å; L703-E726 HydrophobicContact CD1-CB 3.89Å; L703-E726 WeakPolarHBondContact CD1-O 3.36Å; L718-E726 HydrophobicContact CD2-CB 3.96Å; R723-E726 HydrophobicContact CB-CB 4.21Å; R723-E726 HydrophobicContact CB-CG 4.49Å; R723-E726 WeakPolarHBondContact CB-OE2 3.4Å; R723-E726 VanDerWaalsContact CD-OE1 3.22Å; R723-E726 WeakPolarHBondContact CD-OE1 3.43Å; R723-E726 VanDerWaalsContact CD-OE2 3.29Å; R723-E726 WeakPolarHBondContact CD-OE2 3.4Å; R723-E726 IonicContact CZ-OE1 2.85Å; R723-E726 IonicContact NE-OE1 3.13Å; R723-E726 IonicContact NH1-OE1 3.9Å; R723-E726 PolarHBondContact NH1-OE1 3.44Å; R723-E726 PolarHBondContact O-N 3.21Å; E726-M729 HydrophobicContact CB-CE 4.3Å; E726-M729 HydrophobicContact CG-CE 3.98Å; E726-M729 CarbonylContact O-C 3.6Å; E726-M729 WeakPolarHBondContact O-CB 3.25Å; E726-M729 PolarHBondContact O-N 3.48Å; E726-L730 PolarHBondContact O-N 3.14Å
727L85.5Confident82.7Confident1 Ų144.9 Ų44.91%0.00522%0.221CC..Hα-helixtrans-62-42.8172.5-177.259.5000112.2V715 L718 L719 R723 Y724 M729 L730 Y731 I743V715-L727 HydrophobicContact CB-CD1 4.38Å; V715-L727 HydrophobicContact CG1-CD1 4.27Å; V715-L727 HydrophobicContact CG2-CD1 4.03Å; L718-L727 HydrophobicContact CB-CB 4.48Å; L718-L727 HydrophobicContact CD1-CB 4.42Å; L718-L727 HydrophobicContact CD1-CD1 4.39Å; L719-L727 HydrophobicContact CD2-CD2 3.65Å; L719-L727 HydrophobicContact CG-CD2 4.06Å; R723-L727 WeakPolarHBondContact O-CB 3.38Å; R723-L727 PolarHBondContact O-N 3.24Å; Y724-L727 PolarHBondContact O-N 3.42Å; L727-M729 VanDerWaalsContact C-N 3.31Å; L727-M729 PolarHBondContact O-N 3.36Å; L727-L730 HydrophobicContact CD1-CD2 4.3Å; L727-L730 WeakPolarHBondContact O-CB 3.37Å; L727-L730 PolarHBondContact O-N 3.24Å; L727-Y731 HydrophobicContact CD1-CD2 4.09Å; L727-Y731 HydrophobicContact CD1-CE1 4.34Å; L727-Y731 HydrophobicContact CD1-CE2 3.54Å; L727-Y731 HydrophobicContact CD2-CE2 4.09Å; L727-Y731 HydrophobicContact CG-CD2 3.98Å; L727-Y731 HydrophobicContact CG-CE2 3.54Å; L727-Y731 VanDerWaalsContact O-CD2 3.3Å; L727-Y731 WeakPolarHBondContact O-CD2 3.31Å; L727-Y731 PolarHBondContact O-N 3.26Å; L727-I743 HydrophobicContact CD2-CD1 3.75Å; L727-I743 HydrophobicContact CG-CD1 4.1Å
728I83.5Confident82.6Confident6 Ų650 Ų503%0.03124%0.244CC..Hα-helixtrans-60.6-40.8172.5-69.2162.3000110.9Y724 Q732 A740 I743 L744 I788 Y797Y724-I728 VanDerWaalsContact O-CG1 3.32Å; Y724-I728 WeakPolarHBondContact O-CG1 3.17Å; Y724-I728 PolarHBondContact O-N 3.14Å; I728-Q732 WeakPolarHBondContact O-CB 3.49Å; I728-Q732 PolarHBondContact O-N 3.09Å; I728-A740 HydrophobicContact CG2-CB 4.4Å; I728-I743 HydrophobicContact CD1-CG2 3.96Å; I728-I743 HydrophobicContact CG1-CB 4.47Å; I728-I743 HydrophobicContact CG1-CG2 4.12Å; I728-L744 HydrophobicContact CD1-CD2 3.93Å; I728-L744 HydrophobicContact CD1-CG 4.16Å; I728-I788 HydrophobicContact CD1-CG2 4.3Å; I728-Y797 HydrophobicContact CG2-CE2 4.27Å
729M83.7Confident82.4Confident24 Ų2453.4 Ų53.412%0.11826%0.259CS..Hα-helixtrans-67.4-37.4175.5-73-174.7-66.700112.8A700 L703 R704 Q725 E726 L727 S733A700-M729 HydrophobicContact CB-CE 3.69Å; L703-M729 HydrophobicContact CB-CB 4.39Å; R704-M729 HydrophobicContact CG-SD 4.11Å; Q725-M729 HydrophobicContact CG-CE 4.47Å; Q725-M729 WeakPolarHBondContact O-CG 3.34Å; Q725-M729 PolarHBondContact O-N 3.15Å; Q725-M729 VanDerWaalsContact O-N 3.17Å; E726-M729 HydrophobicContact CB-CE 4.3Å; E726-M729 HydrophobicContact CG-CE 3.98Å; E726-M729 CarbonylContact O-C 3.6Å; E726-M729 WeakPolarHBondContact O-CB 3.25Å; E726-M729 PolarHBondContact O-N 3.48Å; L727-M729 VanDerWaalsContact C-N 3.31Å; L727-M729 PolarHBondContact O-N 3.36Å; M729-S733 WeakPolarHBondContact O-CB 3.44Å; M729-S733 PolarHBondContact O-N 2.85Å
730L84.3Confident82.4Confident0 Ų051 Ų510%025%0.247CC..Hα-helixtrans-60.3-53.9173.9174.267.1000110.3L703 S714 V715 L718 E726 L727 Q732 S733 R734L703-L730 HydrophobicContact CD1-CB 4.42Å; L703-L730 HydrophobicContact CD2-CB 4.36Å; L703-L730 HydrophobicContact CD2-CD1 4.01Å; S714-L730 WeakPolarHBondContact OG-CD2 3.48Å; V715-L730 HydrophobicContact CG2-CD2 4.03Å; L718-L730 HydrophobicContact CD1-CB 4.18Å; L718-L730 HydrophobicContact CD1-CD2 3.81Å; E726-L730 PolarHBondContact O-N 3.14Å; L727-L730 HydrophobicContact CD1-CD2 4.3Å; L727-L730 WeakPolarHBondContact O-CB 3.37Å; L727-L730 PolarHBondContact O-N 3.24Å; L730-Q732 VanDerWaalsContact C-N 3.35Å; L730-Q732 PolarHBondContact O-N 2.95Å; L730-S733 PolarHBondContact O-N 2.8Å; L730-S733 VanDerWaalsContact O-N 3.08Å; L730-S733 PolarHBondContact O-OG 3.13Å; L730-R734 VanDerWaalsContact O-CG 3.31Å; L730-R734 WeakPolarHBondContact O-CG 3.39Å; L730-R734 PolarHBondContact O-N 3.27Å
731Y85.6Confident82.3Confident13 Ų1345.4 Ų45.45%0.05122%0.221CC..Hα-helixtrans-60.4-42.1178.4-70.1-41.9000112.7V715 L727 S733 R734 G735 L736 E739 I743V715-Y731 HydrophobicContact CG2-CE1 3.66Å; L727-Y731 HydrophobicContact CD1-CD2 4.09Å; L727-Y731 HydrophobicContact CD1-CE1 4.34Å; L727-Y731 HydrophobicContact CD1-CE2 3.54Å; L727-Y731 HydrophobicContact CD2-CE2 4.09Å; L727-Y731 HydrophobicContact CG-CD2 3.98Å; L727-Y731 HydrophobicContact CG-CE2 3.54Å; L727-Y731 VanDerWaalsContact O-CD2 3.3Å; L727-Y731 WeakPolarHBondContact O-CD2 3.31Å; L727-Y731 PolarHBondContact O-N 3.26Å; Y731-S733 VanDerWaalsContact C-N 3.34Å; Y731-S733 PolarHBondContact O-N 2.65Å; Y731-R734 PolarHBondContact O-N 3.37Å; Y731-G735 PolarHBondContact O-N 2.73Å; Y731-L736 HydrophobicContact CD1-CB 3.84Å; Y731-L736 HydrophobicContact CD1-CD1 3.85Å; Y731-L736 HydrophobicContact CE1-CD1 4.23Å; Y731-L736 HydrophobicContact CG-CB 4.33Å; Y731-L736 PolarHBondContact O-N 3.14Å; Y731-E739 HydrophobicContact CD1-CB 4.28Å; Y731-E739 WeakPolarHBondContact CD1-OE2 3.45Å; Y731-E739 HydrophobicContact CD2-CB 4.05Å; Y731-E739 HydrophobicContact CE1-CB 4.2Å; Y731-E739 WeakPolarHBondContact CE1-OE2 3.35Å; Y731-E739 HydrophobicContact CE2-CB 3.95Å; Y731-E739 HydrophobicContact CG-CB 4.2Å; Y731-I743 HydrophobicContact CD2-CD1 4.21Å; Y731-I743 HydrophobicContact CE2-CD1 3.76Å
732Q82.5Confident82.3Confident55 Ų5542.7 Ų42.726%0.25721%0.211SC..Hα-helixtrans-58-42.8172.2-179-162.3-44.400111.9I728 L730 R734 Y797 Y801I728-Q732 WeakPolarHBondContact O-CB 3.49Å; I728-Q732 PolarHBondContact O-N 3.09Å; L730-Q732 VanDerWaalsContact C-N 3.35Å; L730-Q732 PolarHBondContact O-N 2.95Å; Q732-R734 PolarHBondContact O-N 2.95Å; Q732-R734 VanDerWaalsContact O-N 3.17Å; Q732-Y797 HydrophobicContact CB-CE2 4.39Å; Q732-Y797 HydrophobicContact CG-CE2 4.46Å; Q732-Y801 HydrophobicContact CG-CD1 4.13Å; Q732-Y801 HydrophobicContact CG-CD2 4.32Å; Q732-Y801 HydrophobicContact CG-CG 3.96Å; Q732-Y801 VanDerWaalsContact NE2-CD1 3.3Å
733S77.6Confident82.3Confident50 Ų5036.5 Ų36.535%0.3518%0.184SC..THydrogen-bonded Turntrans-68.9-7.5177.178.30000114.1N707 M729 L730 Y731N707-S733 PolarHBondContact ND2-OG 3.43Å; M729-S733 WeakPolarHBondContact O-CB 3.44Å; M729-S733 PolarHBondContact O-N 2.85Å; L730-S733 PolarHBondContact O-N 2.8Å; L730-S733 VanDerWaalsContact O-N 3.08Å; L730-S733 PolarHBondContact O-OG 3.13Å; Y731-S733 VanDerWaalsContact C-N 3.34Å; Y731-S733 PolarHBondContact O-N 2.65Å
734R79.3Confident82.3Confident73 Ų7332.6 Ų32.628%0.27517%0.17SC..THydrogen-bonded Turntrans-118.7-0.6-173.2-69.1-71.5167.6111.115.5115N707 C709 L711 L730 Y731 Q732 L736N707-R734 PolarHBondContact O-NH2 3.45Å; N707-R734 PolarHBondContact OD1-NH2 2.89Å; C709-R734 PolarHBondContact O-NH1 3.32Å; C709-R734 PolarHBondContact O-NH2 2.77Å; L711-R734 HydrophobicContact CD2-CB 4.28Å; L711-R734 HydrophobicContact CD2-CG 3.86Å; L730-R734 VanDerWaalsContact O-CG 3.31Å; L730-R734 WeakPolarHBondContact O-CG 3.39Å; L730-R734 PolarHBondContact O-N 3.27Å; Y731-R734 PolarHBondContact O-N 3.37Å; Q732-R734 PolarHBondContact O-N 2.95Å; Q732-R734 VanDerWaalsContact O-N 3.17Å; R734-L736 HydrophobicContact CB-CD1 4.14Å; R734-L736 HydrophobicContact CB-CG 4.15Å; R734-L736 PolarHBondContact O-N 3.46Å
735G76.9Confident82.2Confident43 Ų4335.9 Ų35.944%0.44319%0.186SC..THydrogen-bonded Turntrans746.4-174.100000114.2Y731 H737Y731-G735 PolarHBondContact O-N 2.73Å; G735-H737 PolarHBondContact O-CD2 3.22Å; G735-H737 VanDerWaalsContact O-CD2 3.24Å; G735-H737 PolarHBondContact O-N 3.49Å
736L83.1Confident82Confident54 Ų5434.8 Ų34.828%0.28318%0.181SC..  trans-81.351.5-179.7-65.2173.7000110.9L711 Y731 R734 Q738 E739 A740L711-L736 HydrophobicContact CD1-CD1 3.99Å; L711-L736 HydrophobicContact CD2-CD1 3.69Å; Y731-L736 HydrophobicContact CD1-CB 3.84Å; Y731-L736 HydrophobicContact CD1-CD1 3.85Å; Y731-L736 HydrophobicContact CE1-CD1 4.23Å; Y731-L736 HydrophobicContact CG-CB 4.33Å; Y731-L736 PolarHBondContact O-N 3.14Å; R734-L736 HydrophobicContact CB-CD1 4.14Å; R734-L736 HydrophobicContact CB-CG 4.15Å; R734-L736 PolarHBondContact O-N 3.46Å; L736-Q738 VanDerWaalsContact C-N 3.27Å; L736-Q738 PolarHBondContact O-N 3.41Å; L736-E739 PolarHBondContact O-N 3.4Å; L736-A740 PolarHBondContact O-N 2.89Å
737H82.6Confident81.8Confident18 Ų1833.9 Ų33.98%0.08318%0.177CC..Hα-helixtrans-64.7-29.1-169.8-63.1-62.1000113.6G735 L741 Y797 L802 H806 L809G735-H737 PolarHBondContact O-CD2 3.22Å; G735-H737 VanDerWaalsContact O-CD2 3.24Å; G735-H737 PolarHBondContact O-N 3.49Å; H737-L741 WeakPolarHBondContact O-CB 3.08Å; H737-L741 VanDerWaalsContact O-CG 3.3Å; H737-L741 WeakPolarHBondContact O-CG 3.18Å; H737-L741 PolarHBondContact O-N 3.07Å; H737-Y797 HydrophobicContact CB-CE1 4.23Å; H737-Y797 AromaticContact ND1-CE1 3.71Å; H737-Y797 AromaticContact ND1-CZ 3.69Å; H737-Y797 PolarHBondContact ND1-OH 3.15Å; H737-L802 HydrophobicContact CB-CD2 3.78Å; H737-H806 AromaticContact CD2-CD2 3.7Å; H737-H806 AromaticContact CD2-NE2 3.35Å; H737-H806 PolarHBondContact CD2-NE2 3.21Å; H737-H806 VanDerWaalsContact CD2-NE2 3.35Å; H737-H806 AromaticContact NE2-NE2 3.81Å; H737-L809 HydrophobicContact CB-CD1 3.83Å
738Q82.5Confident81.3Confident126 Ų12634.2 Ų34.259%0.58918%0.178SC*.Hα-helixtrans-67-37177.1-168.3171.54.100112.1L736 S742 L809L736-Q738 VanDerWaalsContact C-N 3.27Å; L736-Q738 PolarHBondContact O-N 3.41Å; Q738-S742 VanDerWaalsContact O-CB 3.27Å; Q738-S742 WeakPolarHBondContact O-CB 3.27Å; Q738-S742 PolarHBondContact O-N 2.9Å; Q738-L809 HydrophobicContact CB-CD2 3.96Å; Q738-L809 HydrophobicContact CG-CD2 4.02Å
739E81.8Confident80.9Confident71 Ų7136.4 Ų36.433%0.33219%0.194SC..Hα-helixtrans-73.2-42.4178.7-63174.5179.100110.5Y731 L736 S742 I743Y731-E739 HydrophobicContact CD1-CB 4.28Å; Y731-E739 WeakPolarHBondContact CD1-OE2 3.45Å; Y731-E739 HydrophobicContact CD2-CB 4.05Å; Y731-E739 HydrophobicContact CE1-CB 4.2Å; Y731-E739 WeakPolarHBondContact CE1-OE2 3.35Å; Y731-E739 HydrophobicContact CE2-CB 3.95Å; Y731-E739 HydrophobicContact CG-CB 4.2Å; L736-E739 PolarHBondContact O-N 3.4Å; E739-S742 PolarHBondContact O-N 3.16Å; E739-I743 PolarHBondContact O-N 2.61Å; E739-I743 VanDerWaalsContact O-N 3.13Å
740A83.5Confident80.3Confident0 Ų037.3 Ų37.30%020%0.199CC..Hα-helixtrans-60.2-45172.300000113I728 L736 L744 Y797I728-A740 HydrophobicContact CG2-CB 4.4Å; L736-A740 PolarHBondContact O-N 2.89Å; A740-L744 WeakPolarHBondContact O-CG 3.28Å; A740-L744 PolarHBondContact O-N 2.95Å; A740-Y797 HydrophobicContact CB-CE2 4Å; A740-Y797 VanDerWaalsContact CB-OH 3.31Å; A740-Y797 WeakPolarHBondContact CB-OH 3.35Å
741L82.4Confident79.6Confident0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-69.1-35.8177.2-75.1171.7000112.3H737 I743 L744 Q745 I794 Y797 F798 L802 L809 Y813H737-L741 WeakPolarHBondContact O-CB 3.08Å; H737-L741 VanDerWaalsContact O-CG 3.3Å; H737-L741 WeakPolarHBondContact O-CG 3.18Å; H737-L741 PolarHBondContact O-N 3.07Å; L741-I743 PolarHBondContact O-N 3.37Å; L741-L744 HydrophobicContact CD2-CD1 4.46Å; L741-L744 PolarHBondContact O-N 3.46Å; L741-Q745 WeakPolarHBondContact O-CB 3.47Å; L741-Q745 PolarHBondContact O-N 3.02Å; L741-I794 HydrophobicContact CD2-CG2 4.41Å; L741-Y797 HydrophobicContact CD2-CD1 3.73Å; L741-Y797 HydrophobicContact CD2-CE1 4.32Å; L741-Y797 HydrophobicContact CD2-CG 4.15Å; L741-Y797 HydrophobicContact CG-CD1 4.03Å; L741-Y797 HydrophobicContact CG-CE1 4.12Å; L741-F798 HydrophobicContact CD1-CE1 4.25Å; L741-F798 HydrophobicContact CD1-CE2 4.29Å; L741-F798 HydrophobicContact CD1-CZ 3.75Å; L741-F798 HydrophobicContact CD2-CE2 3.96Å; L741-F798 HydrophobicContact CD2-CZ 4.27Å; L741-L802 HydrophobicContact CD1-CD1 4.13Å; L741-L809 HydrophobicContact CD1-CB 4.41Å; L741-Y813 HydrophobicContact CB-CE1 3.87Å; L741-Y813 HydrophobicContact CB-CE2 4.3Å; L741-Y813 VanDerWaalsContact CB-OH 3.29Å; L741-Y813 WeakPolarHBondContact CB-OH 3.31Å; L741-Y813 HydrophobicContact CD1-CE2 4.28Å
742S82.7Confident78.6Confident25 Ų2542.9 Ų42.918%0.17522%0.224CC..Hα-helixtrans-59.1-46.5174.8-178.40000111.3Q738 E739 L744 Q745 Q746 Y813Q738-S742 VanDerWaalsContact O-CB 3.27Å; Q738-S742 WeakPolarHBondContact O-CB 3.27Å; Q738-S742 PolarHBondContact O-N 2.9Å; E739-S742 PolarHBondContact O-N 3.16Å; S742-L744 PolarHBondContact O-N 2.9Å; S742-Q745 PolarHBondContact O-N 3.18Å; S742-Q746 VanDerWaalsContact O-CG 3.28Å; S742-Q746 WeakPolarHBondContact O-CG 3.37Å; S742-Q746 PolarHBondContact O-N 3.37Å; S742-Q746 PolarHBondContact OG-NE2 3.42Å; S742-Y813 PolarHBondContact N-OH 3.45Å
743I80.6Confident77.8Confident8 Ų848.7 Ų48.74%0.04125%0.249CC..Hα-helixtrans-60.2-47.9174.9-67.7172000110.9L727 I728 Y731 E739 L741 Q745 Q746 F747L727-I743 HydrophobicContact CD2-CD1 3.75Å; L727-I743 HydrophobicContact CG-CD1 4.1Å; I728-I743 HydrophobicContact CD1-CG2 3.96Å; I728-I743 HydrophobicContact CG1-CB 4.47Å; I728-I743 HydrophobicContact CG1-CG2 4.12Å; Y731-I743 HydrophobicContact CD2-CD1 4.21Å; Y731-I743 HydrophobicContact CE2-CD1 3.76Å; E739-I743 PolarHBondContact O-N 2.61Å; E739-I743 VanDerWaalsContact O-N 3.13Å; L741-I743 PolarHBondContact O-N 3.37Å; I743-Q745 VanDerWaalsContact C-N 3.3Å; I743-Q745 PolarHBondContact O-N 3.46Å; I743-Q746 PolarHBondContact O-N 3.13Å; I743-F747 HydrophobicContact CG2-CD2 3.79Å; I743-F747 HydrophobicContact CG2-CE2 3.8Å; I743-F747 WeakPolarHBondContact O-CD2 3.43Å; I743-F747 PolarHBondContact O-N 2.96Å
744L81.8Confident77.1Confident6 Ų652 Ų523%0.03126%0.259CS..Hα-helixtrans-60.7-38.1177.5-71.5170.2000112.5I728 A740 L741 S742 N748 I788 R793 I794 Y797I728-L744 HydrophobicContact CD1-CD2 3.93Å; I728-L744 HydrophobicContact CD1-CG 4.16Å; A740-L744 WeakPolarHBondContact O-CG 3.28Å; A740-L744 PolarHBondContact O-N 2.95Å; L741-L744 HydrophobicContact CD2-CD1 4.46Å; L741-L744 PolarHBondContact O-N 3.46Å; S742-L744 PolarHBondContact O-N 2.9Å; L744-N748 WeakPolarHBondContact O-CB 3.16Å; L744-N748 PolarHBondContact O-N 3.48Å; L744-I788 HydrophobicContact CD2-CG2 3.95Å; L744-R793 HydrophobicContact CD2-CB 4.47Å; L744-I794 HydrophobicContact CB-CG1 3.97Å; L744-Y797 HydrophobicContact CD1-CD2 4Å; L744-Y797 HydrophobicContact CD1-CG 4.29Å
745Q80.5Confident76Confident90 Ų9052.1 Ų52.142%0.42127%0.267SS..Hα-helixtrans-68.3-38.5176.2-174.8179.12.200112L741 S742 I743 N748 S749 Y813L741-Q745 WeakPolarHBondContact O-CB 3.47Å; L741-Q745 PolarHBondContact O-N 3.02Å; S742-Q745 PolarHBondContact O-N 3.18Å; I743-Q745 VanDerWaalsContact C-N 3.3Å; I743-Q745 PolarHBondContact O-N 3.46Å; Q745-N748 PolarHBondContact O-N 3.04Å; Q745-S749 VanDerWaalsContact O-CB 3.29Å; Q745-S749 WeakPolarHBondContact O-CB 3.23Å; Q745-S749 PolarHBondContact O-N 3.08Å; Q745-S749 PolarHBondContact O-OG 3.08Å; Q745-Y813 HydrophobicContact CB-CE1 4.19Å; Q745-Y813 PolarHBondContact OE1-OH 3.25Å
746Q79.1Confident74.5Confident48 Ų4852.8 Ų52.822%0.22427%0.274CS..Hα-helixtrans-63.6-49.7175-70.7169.310.600111S742 I743 N748 S749 I750 L776S742-Q746 VanDerWaalsContact O-CG 3.28Å; S742-Q746 WeakPolarHBondContact O-CG 3.37Å; S742-Q746 PolarHBondContact O-N 3.37Å; S742-Q746 PolarHBondContact OG-NE2 3.42Å; I743-Q746 PolarHBondContact O-N 3.13Å; Q746-N748 PolarHBondContact O-N 3.08Å; Q746-S749 WeakPolarHBondContact O-CB 3.25Å; Q746-S749 PolarHBondContact O-N 2.93Å; Q746-S749 VanDerWaalsContact O-N 3.15Å; Q746-I750 WeakPolarHBondContact O-CG1 3.47Å; Q746-I750 PolarHBondContact O-N 3.45Å; Q746-L776 HydrophobicContact CB-CD1 3.63Å; Q746-L776 HydrophobicContact CG-CD1 4.4Å
747F79.3Confident72.6Confident0 Ų058.7 Ų58.70%029%0.294CS..Hα-helixtrans-60.7-40.8174.9-83.2-76.6000112.5Y724 I743 S749 I750 R751 L776 I788Y724-F747 HydrophobicContact CD1-CE2 4.2Å; Y724-F747 HydrophobicContact CD1-CZ 4.35Å; Y724-F747 HydrophobicContact CD2-CZ 4.07Å; Y724-F747 HydrophobicContact CE2-CZ 4.49Å; Y724-F747 HydrophobicContact CG-CE2 4.07Å; Y724-F747 AromaticContact CG-CZ 4Å; Y724-F747 HydrophobicContact CG-CZ 4Å; I743-F747 HydrophobicContact CG2-CD2 3.79Å; I743-F747 HydrophobicContact CG2-CE2 3.8Å; I743-F747 WeakPolarHBondContact O-CD2 3.43Å; I743-F747 PolarHBondContact O-N 2.96Å; F747-S749 PolarHBondContact O-N 3.44Å; F747-I750 PolarHBondContact O-N 3.48Å; F747-R751 PolarHBondContact O-N 3.47Å; F747-L776 HydrophobicContact CE2-CD2 4.5Å; F747-L776 HydrophobicContact CZ-CD2 4.39Å; F747-I788 HydrophobicContact CB-CB 4.33Å; F747-I788 HydrophobicContact CB-CG2 3.88Å; F747-I788 HydrophobicContact CD1-CB 4.29Å; F747-I788 HydrophobicContact CD1-CG2 4.36Å; F747-I788 HydrophobicContact CD2-CB 4.39Å; F747-I788 HydrophobicContact CD2-CG2 3.61Å; F747-I788 HydrophobicContact CE2-CD1 4.45Å; F747-I788 HydrophobicContact CE2-CG2 4.23Å; F747-I788 HydrophobicContact CG-CB 4.09Å; F747-I788 HydrophobicContact CG-CG2 3.69Å; F747-I788 HydrophobicContact CZ-CD1 4.36Å
748N74.2Confident70.2Confident8 Ų864.1 Ų64.14%0.04333%0.329CS..Hα-helixtrans-65.6-36.9174.7-176-110.5000112.6L744 Q745 Q746 R751 M752 G789 I794 Y817L744-N748 WeakPolarHBondContact O-CB 3.16Å; L744-N748 PolarHBondContact O-N 3.48Å; Q745-N748 PolarHBondContact O-N 3.04Å; Q746-N748 PolarHBondContact O-N 3.08Å; N748-R751 PolarHBondContact O-N 2.74Å; N748-M752 WeakPolarHBondContact O-CB 3.44Å; N748-M752 VanDerWaalsContact O-CG 3.26Å; N748-M752 WeakPolarHBondContact O-CG 3.38Å; N748-M752 PolarHBondContact O-N 3.38Å; N748-G789 PolarHBondContact ND2-O 3.02Å; N748-I794 HydrophobicContact CB-CD1 4.11Å; N748-Y817 PolarHBondContact ND2-OH 3.41Å; N748-Y817 WeakPolarHBondContact OD1-CE2 3.44Å; N748-Y817 PolarHBondContact OD1-OH 2.89Å
749S74.1Confident67.9Low52 Ų5262.4 Ų62.436%0.36433%0.33SS..Hα-helixtrans-67.4-35.7176.8-59.90000112.2Q745 Q746 F747 K753Q745-S749 VanDerWaalsContact O-CB 3.29Å; Q745-S749 WeakPolarHBondContact O-CB 3.23Å; Q745-S749 PolarHBondContact O-N 3.08Å; Q745-S749 PolarHBondContact O-OG 3.08Å; Q746-S749 WeakPolarHBondContact O-CB 3.25Å; Q746-S749 PolarHBondContact O-N 2.93Å; Q746-S749 VanDerWaalsContact O-N 3.15Å; F747-S749 PolarHBondContact O-N 3.44Å; S749-K753 VanDerWaalsContact O-CG 3.31Å; S749-K753 WeakPolarHBondContact O-CG 3.47Å; S749-K753 PolarHBondContact O-N 3.44Å
750I72.2Confident65.4Low43 Ų4364.3 Ų64.322%0.22135%0.347CS..Hα-helixtrans-65.4-48.1172.1-66.2165.4000109.8Q746 F747 M752 K753 Q754 L776 I785Q746-I750 WeakPolarHBondContact O-CG1 3.47Å; Q746-I750 PolarHBondContact O-N 3.45Å; F747-I750 PolarHBondContact O-N 3.48Å; I750-M752 PolarHBondContact O-N 2.9Å; I750-K753 WeakPolarHBondContact O-CB 3.31Å; I750-K753 PolarHBondContact O-N 2.82Å; I750-Q754 PolarHBondContact O-N 2.77Å; I750-Q754 VanDerWaalsContact O-N 3.1Å; I750-L776 HydrophobicContact CD1-CB 4.45Å; I750-L776 HydrophobicContact CD1-CD1 3.78Å; I750-I785 HydrophobicContact CB-CG2 4.44Å; I750-I785 HydrophobicContact CG2-CD1 3.93Å; I750-I785 HydrophobicContact CG2-CG1 4.43Å; I750-I785 HydrophobicContact CG2-CG2 4Å
751R69.9Low62.7Low55 Ų5570.7 Ų70.721%0.20838%0.379CS..Hα-helixtrans-57.7-46.4176.7-165.2176.9-176.7-126.15.6112.2F747 N748 K753 Q754 T755 I785 H790F747-R751 PolarHBondContact O-N 3.47Å; N748-R751 PolarHBondContact O-N 2.74Å; R751-K753 VanDerWaalsContact C-N 3.31Å; R751-K753 PolarHBondContact O-N 3.12Å; R751-Q754 WeakPolarHBondContact O-CB 3.45Å; R751-Q754 PolarHBondContact O-N 2.84Å; R751-Q754 VanDerWaalsContact O-N 3.1Å; R751-T755 PolarHBondContact O-N 2.87Å; R751-T755 PolarHBondContact O-OG1 2.94Å; R751-I785 HydrophobicContact CB-CG2 3.85Å; R751-I785 HydrophobicContact CG-CG2 4.38Å; R751-H790 PolarHBondContact NH1-CD2 3.47Å; R751-H790 PolarHBondContact NH1-NE2 3.38Å
752M64.7Low60.2Low76 Ų7676.3 Ų76.337%0.37441%0.413SS..Hα-helixtrans-63.3-33179-72.2-69.6-179.600113.4N748 I750 T755N748-M752 WeakPolarHBondContact O-CB 3.44Å; N748-M752 VanDerWaalsContact O-CG 3.26Å; N748-M752 WeakPolarHBondContact O-CG 3.38Å; N748-M752 PolarHBondContact O-N 3.38Å; I750-M752 PolarHBondContact O-N 2.9Å; M752-T755 PolarHBondContact O-OG1 3.43Å
753K65.7Low57.6Low177 Ų17784.7 Ų84.777%0.7745%0.449SS*.Hα-helixtrans-68.1-37.7172.4-74.5171.8178.8-177.80112S749 I750 R751S749-K753 VanDerWaalsContact O-CG 3.31Å; S749-K753 WeakPolarHBondContact O-CG 3.47Å; S749-K753 PolarHBondContact O-N 3.44Å; I750-K753 WeakPolarHBondContact O-CB 3.31Å; I750-K753 PolarHBondContact O-N 2.82Å; R751-K753 VanDerWaalsContact C-N 3.31Å; R751-K753 PolarHBondContact O-N 3.12Å
754Q61.6Low55Low119 Ų11989.2 Ų89.256%0.55648%0.482SS*.Hα-helixtrans-70.1-35.3176-70.2171.2-31.700112I750 R751 G756I750-Q754 PolarHBondContact O-N 2.77Å; I750-Q754 VanDerWaalsContact O-N 3.1Å; R751-Q754 WeakPolarHBondContact O-CB 3.45Å; R751-Q754 PolarHBondContact O-N 2.84Å; R751-Q754 VanDerWaalsContact O-N 3.1Å; Q754-G756 VanDerWaalsContact C-N 3.29Å; Q754-G756 PolarHBondContact O-N 2.98Å
755T57.2Low52.5Low75 Ų7595 Ų9546%0.4651%0.513SS..THydrogen-bonded Turntrans-87.124.3179.963.10000114.8R751 M752 Y757R751-T755 PolarHBondContact O-N 2.87Å; R751-T755 PolarHBondContact O-OG1 2.94Å; M752-T755 PolarHBondContact O-OG1 3.43Å; T755-Y757 VanDerWaalsContact C-N 3.29Å; T755-Y757 PolarHBondContact O-N 2.84Å
756G44.7Very low49.9Very low57 Ų5796.6 Ų96.659%0.58853%0.53SS*.THydrogen-bonded Turntrans68.33.5164.600000118.7Q754 V758Q754-G756 VanDerWaalsContact C-N 3.29Å; Q754-G756 PolarHBondContact O-N 2.98Å; G756-V758 PolarHBondContact O-N 3.37Å
757Y44.7Very low47.4Very low178 Ų178100.7 Ų100.770%0.69855%0.554SS**  trans-80.575.3-175.6-100.3-91.7000113.1T755 S759T755-Y757 VanDerWaalsContact C-N 3.29Å; T755-Y757 PolarHBondContact O-N 2.84Å; Y757-S759 PolarHBondContact O-N 2.82Å
758V30.7Very low44.9Very low133 Ų133104.3 Ų104.381%0.80658%0.584SS**  trans-82109.8176.9-178.20000111.3G756G756-V758 PolarHBondContact O-N 3.37Å
759S34.4Very low42.6Very low90 Ų90113.9 Ų113.963%0.62963%0.625SS**  trans-159.891.1164.8-79.80000113Y757Y757-S759 PolarHBondContact O-N 2.82Å
760T29.3Very low40.3Very low111 Ų111116.2 Ų116.268%0.68163%0.633SS**  trans41.984.7154.562.50000117.4
761M27.4Very low38.2Very low134 Ų134119 Ų11966%0.6665%0.654SS**  trans-87.7111.4141.5-73.3-63.6-168.200107.2N816M761-N816 HydrophobicContact CE-CB 4.36Å
762T29.1Very low36.4Very low117 Ų117121.8 Ų121.872%0.71867%0.672SS**  trans-82.1134.917544.10000110.5S764T762-S764 PolarHBondContact O-N 3.43Å; T762-S764 VanDerWaalsContact O-N 3.15Å
763E28.3Very low34.7Very low202 Ų202124.7 Ų124.794%0.94469%0.69SS**  trans-69.8104.4-177.1-59.2173.8133.300111.3
764S27.2Very low33.7Very low103 Ų103118.2 Ų118.272%0.7267%0.665SS**  trans-14938.6-178.173.20000117.2T762T762-S764 PolarHBondContact O-N 3.43Å; T762-S764 VanDerWaalsContact O-N 3.15Å
765N27.6Very low32.9Very low128 Ų128118.2 Ų118.268%0.68467%0.673SS**  trans-164108.4140.4-140.4-31000113.6N767N765-N767 VanDerWaalsContact C-N 3.34Å; N765-N767 PolarHBondContact O-N 2.99Å
766P27.5Very low32.6Very low122 Ų122116 Ų11679%0.79266%0.658SS**  trans-85.72178.634.4-35.7000114.4
767N26.3Very low32.9Very low135 Ų135118.3 Ų118.372%0.72266%0.657SS**  trans-102.82.6-163.3-71.8-39.7000116.2N765 K769N765-N767 VanDerWaalsContact C-N 3.34Å; N765-N767 PolarHBondContact O-N 2.99Å; N767-K769 PolarHBondContact O-N 3.37Å
768A26.7Very low33Very low76 Ų76117.5 Ų117.563%0.62867%0.665SS**  trans-85.5102172.600000110.5L770A768-L770 PolarHBondContact O-N 3.5Å
769K25.6Very low33.9Very low208 Ų208118.5 Ų118.590%0.90467%0.666SS**  trans-70.389.5173.9-76-176.1176.2-178.60110.9N767 P771N767-K769 PolarHBondContact O-N 3.37Å; K769-P771 WeakPolarHBondContact O-CD 3.49Å
770L26.2Very low35Very low101 Ų101116.2 Ų116.253%0.52964%0.643SS.*  trans-64.1127.3162.4-101.770.8000109.5A768A768-L770 PolarHBondContact O-N 3.5Å
771P26.9Very low36.4Very low101 Ų101117.1 Ų117.166%0.65664%0.644SS**SBendtrans-67.5146.1154.731.2-31.6000108.9K769K769-P771 WeakPolarHBondContact O-CD 3.49Å
772L32.1Very low37.7Very low114 Ų114115 Ų11560%0.59764%0.64SS**  trans5778178.9-68.5139000115V774L772-V774 VanDerWaalsContact C-N 3.3Å; L772-V774 PolarHBondContact O-N 2.9Å
773N30.1Very low39.2Very low138 Ų138111 Ų11174%0.73862%0.622SS**  trans-62.395.5148.6-86.4-12.2000108.6T775N773-T775 PolarHBondContact O-N 3.14Å
774V44.2Very low40.7Very low41 Ų41104.3 Ų104.325%0.24859%0.593CS.*  trans-68.4101.9166.9-179.30000107.5L772 L776L772-V774 VanDerWaalsContact C-N 3.3Å; L772-V774 PolarHBondContact O-N 2.9Å; V774-L776 VanDerWaalsContact C-N 3.33Å; V774-L776 HydrophobicContact CG1-CD2 4.07Å; V774-L776 HydrophobicContact CG1-CG 4.22Å; V774-L776 PolarHBondContact O-N 3.36Å
775T44.5Very low42.4Very low119 Ų11999.6 Ų99.673%0.7356%0.559SS**  trans-70.492.3171.347.60000108.8N773 D777N773-T775 PolarHBondContact O-N 3.14Å; T775-D777 PolarHBondContact O-N 3.24Å; T775-D777 VanDerWaalsContact O-N 3.1Å
776L52.3Low44Very low28 Ų2898.6 Ų98.615%0.14755%0.551CS.*  trans-6998.4171.9-71.4172.9000108.9Y724 Q746 F747 I750 V774 N778 Y780Y724-L776 HydrophobicContact CE1-CD2 3.99Å; Q746-L776 HydrophobicContact CB-CD1 3.63Å; Q746-L776 HydrophobicContact CG-CD1 4.4Å; F747-L776 HydrophobicContact CE2-CD2 4.5Å; F747-L776 HydrophobicContact CZ-CD2 4.39Å; I750-L776 HydrophobicContact CD1-CB 4.45Å; I750-L776 HydrophobicContact CD1-CD1 3.78Å; V774-L776 VanDerWaalsContact C-N 3.33Å; V774-L776 HydrophobicContact CG1-CD2 4.07Å; V774-L776 HydrophobicContact CG1-CG 4.22Å; V774-L776 PolarHBondContact O-N 3.36Å; L776-N778 PolarHBondContact O-N 3.24Å; L776-Y780 WeakPolarHBondContact CA-OH 3.41Å; L776-Y780 HydrophobicContact CB-CE2 3.74Å; L776-Y780 HydrophobicContact CD2-CE2 4.09Å; L776-Y780 VanDerWaalsContact CD2-OH 3.22Å; L776-Y780 WeakPolarHBondContact CD2-OH 3.22Å; L776-Y780 HydrophobicContact CG-CE2 4.49Å
777D50.6Low45.7Very low105 Ų10598.6 Ų98.656%0.56154%0.54SS*.  trans-55.8131.8177.9-72.6-35000111.1T775 N779 Y780T775-D777 PolarHBondContact O-N 3.24Å; T775-D777 VanDerWaalsContact O-N 3.1Å; D777-N779 PolarHBondContact O-N 3.11Å; D777-Y780 WeakPolarHBondContact O-CD2 3.48Å; D777-Y780 WeakPolarHBondContact O-CE2 3.31Å
778N47.3Very low47.6Very low162 Ų16292.3 Ų92.387%0.86651%0.506SS*.SBendtrans-60.5-2.8-170-66.3-47.7000116.6L776 Y780L776-N778 PolarHBondContact O-N 3.24Å; N778-Y780 PolarHBondContact O-N 2.61Å
779N48.5Very low49.3Very low154 Ų15488.7 Ų88.782%0.82448%0.477SS*.  trans-98.672-177.6-65.7-3.3000111.8D777D777-N779 PolarHBondContact O-N 3.11Å
780Y56.8Low51.5Low41 Ų4181.5 Ų81.516%0.16145%0.446CS..  trans-107.8142.4174.4-73.5-70.3000112.8Y724 L776 D777 N778 L784Y724-Y780 AromaticContact CE2-CE1 3.8Å; Y724-Y780 HydrophobicContact CE2-CE1 3.8Å; Y724-Y780 PolarHBondContact OH-OH 3.25Å; L776-Y780 WeakPolarHBondContact CA-OH 3.41Å; L776-Y780 HydrophobicContact CB-CE2 3.74Å; L776-Y780 HydrophobicContact CD2-CE2 4.09Å; L776-Y780 VanDerWaalsContact CD2-OH 3.22Å; L776-Y780 WeakPolarHBondContact CD2-OH 3.22Å; L776-Y780 HydrophobicContact CG-CE2 4.49Å; D777-Y780 WeakPolarHBondContact O-CD2 3.48Å; D777-Y780 WeakPolarHBondContact O-CE2 3.31Å; N778-Y780 PolarHBondContact O-N 2.61Å; Y780-L784 HydrophobicContact CD1-CD2 4.46Å
781N58.4Low53.6Low130 Ų13077.5 Ų77.570%0.69543%0.426SS*.  trans-60.9128.8170.3-73.8-1.6000110.2G783 L784N781-G783 PolarHBondContact O-N 2.96Å; N781-L784 WeakPolarHBondContact O-CB 3.39Å; N781-L784 PolarHBondContact O-N 2.9Å
782P55Low55.8Low89 Ų8980.3 Ų80.358%0.57843%0.428SS*.Hα-helixtrans-58.4-43.7-173.719.4-31.1000113L784 I785 E786P782-L784 PolarHBondContact O-N 2.85Å; P782-L784 VanDerWaalsContact O-N 3.11Å; P782-I785 WeakPolarHBondContact O-CA 3.47Å; P782-I785 WeakPolarHBondContact O-CB 3.5Å; P782-I785 PolarHBondContact O-N 3.29Å; P782-E786 PolarHBondContact O-N 3.47Å
783G60.5Low58Low33 Ų3378.7 Ų78.734%0.3441%0.414SS..Hα-helixtrans-59-2617800000114.6N781 Q787N781-G783 PolarHBondContact O-N 2.96Å; G783-Q787 WeakPolarHBondContact O-CB 3.45Å; G783-Q787 WeakPolarHBondContact O-CG 2.95Å; G783-Q787 PolarHBondContact O-N 3.39Å
784L61.5Low60.3Low62 Ų6272.3 Ų72.333%0.32538%0.38SS..Hα-helixtrans-71.8-36.6173.8-167.873.2000111.4Y724 Y780 N781 P782 I788Y724-L784 HydrophobicContact CD2-CD2 4.48Å; Y780-L784 HydrophobicContact CD1-CD2 4.46Å; N781-L784 WeakPolarHBondContact O-CB 3.39Å; N781-L784 PolarHBondContact O-N 2.9Å; P782-L784 PolarHBondContact O-N 2.85Å; P782-L784 VanDerWaalsContact O-N 3.11Å; L784-I788 HydrophobicContact CD1-CD1 3.77Å; L784-I788 HydrophobicContact CD1-CG1 4.3Å; L784-I788 HydrophobicContact CG-CD1 3.89Å; L784-I788 HydrophobicContact CG-CG1 4.44Å; L784-I788 WeakPolarHBondContact O-CB 3.4Å; L784-I788 WeakPolarHBondContact O-CG1 3.5Å; L784-I788 PolarHBondContact O-N 3.32Å
785I61.5Low62Low4 Ų471.2 Ų71.22%0.02137%0.372CS..Hα-helixtrans-68.6-41.1176.8-56.6168.5000110.1I750 R751 P782 G789I750-I785 HydrophobicContact CB-CG2 4.44Å; I750-I785 HydrophobicContact CG2-CD1 3.93Å; I750-I785 HydrophobicContact CG2-CG1 4.43Å; I750-I785 HydrophobicContact CG2-CG2 4Å; R751-I785 HydrophobicContact CB-CG2 3.85Å; R751-I785 HydrophobicContact CG-CG2 4.38Å; P782-I785 WeakPolarHBondContact O-CA 3.47Å; P782-I785 WeakPolarHBondContact O-CB 3.5Å; P782-I785 PolarHBondContact O-N 3.29Å; I785-G789 WeakPolarHBondContact O-CA 3.49Å; I785-G789 PolarHBondContact O-N 3.3Å
786E61Low63.6Low108 Ų10869.3 Ų69.351%0.50536%0.355SS..Hα-helixtrans-67.5-44.5177.8-64-165.9109.100112.5P782P782-E786 PolarHBondContact O-N 3.47Å
787Q63.9Low65.1Low121 Ų12168.2 Ų68.257%0.56535%0.349SS*.Hα-helixtrans-63.8-57.3176.1-73.4178.214.600111.6G783 R793G783-Q787 WeakPolarHBondContact O-CB 3.45Å; G783-Q787 WeakPolarHBondContact O-CG 2.95Å; G783-Q787 PolarHBondContact O-N 3.39Å; Q787-R793 WeakPolarHBondContact O-CD 3.45Å; Q787-R793 PolarHBondContact O-NE 3.14Å
788I66.4Low66.7Low3 Ų363.2 Ų63.22%0.01532%0.323CS..Hα-helixtrans-75.3-40.5-173.2-59.1-177.5000111.7I728 L744 F747 L784 H790I728-I788 HydrophobicContact CD1-CG2 4.3Å; L744-I788 HydrophobicContact CD2-CG2 3.95Å; F747-I788 HydrophobicContact CB-CB 4.33Å; F747-I788 HydrophobicContact CB-CG2 3.88Å; F747-I788 HydrophobicContact CD1-CB 4.29Å; F747-I788 HydrophobicContact CD1-CG2 4.36Å; F747-I788 HydrophobicContact CD2-CB 4.39Å; F747-I788 HydrophobicContact CD2-CG2 3.61Å; F747-I788 HydrophobicContact CE2-CD1 4.45Å; F747-I788 HydrophobicContact CE2-CG2 4.23Å; F747-I788 HydrophobicContact CG-CB 4.09Å; F747-I788 HydrophobicContact CG-CG2 3.69Å; F747-I788 HydrophobicContact CZ-CD1 4.36Å; L784-I788 HydrophobicContact CD1-CD1 3.77Å; L784-I788 HydrophobicContact CD1-CG1 4.3Å; L784-I788 HydrophobicContact CG-CD1 3.89Å; L784-I788 HydrophobicContact CG-CG1 4.44Å; L784-I788 WeakPolarHBondContact O-CB 3.4Å; L784-I788 WeakPolarHBondContact O-CG1 3.5Å; L784-I788 PolarHBondContact O-N 3.32Å; I788-H790 PolarHBondContact O-N 3.46Å
789G62.6Low68.3Low1 Ų156 Ų561%0.0128%0.284CS..THydrogen-bonded Turntrans-79.513-174.700000115.6N748 I785N748-G789 PolarHBondContact ND2-O 3.02Å; I785-G789 WeakPolarHBondContact O-CA 3.49Å; I785-G789 PolarHBondContact O-N 3.3Å
790H71.8Confident69.8Low56 Ų5653.5 Ų53.526%0.25927%0.267SS..  trans-75.8132-178.1-156.9-85.8000112.7R751 I788 K792 R793R751-H790 PolarHBondContact NH1-CD2 3.47Å; R751-H790 PolarHBondContact NH1-NE2 3.38Å; I788-H790 PolarHBondContact O-N 3.46Å; H790-K792 WeakPolarHBondContact ND1-CB 3.33Å; H790-K792 WeakPolarHBondContact ND1-CG 3.45Å; H790-K792 PolarHBondContact ND1-N 3.02Å; H790-K792 PolarHBondContact O-N 3.08Å; H790-K792 VanDerWaalsContact O-N 3.14Å; H790-R793 WeakPolarHBondContact O-CB 3.42Å; H790-R793 PolarHBondContact O-N 3.14Å
791P69.9Low70.8Confident17 Ų1756.2 Ų56.211%0.1128%0.278CS..Hα-helixtrans-55.7-34.8179.120.1-33.4000113.6R793 I794 I795 Y817P791-R793 PolarHBondContact O-N 3.46Å; P791-I794 PolarHBondContact O-N 3.44Å; P791-I795 PolarHBondContact O-N 3.03Å; P791-Y817 WeakPolarHBondContact CB-OH 3.16Å
792K73.8Confident72Confident160 Ų16050.1 Ų50.170%0.69625%0.245SC*.Hα-helixtrans-54.6-33.3173.2-67176-179.5178.90112.2H790 I795 H796H790-K792 WeakPolarHBondContact ND1-CB 3.33Å; H790-K792 WeakPolarHBondContact ND1-CG 3.45Å; H790-K792 PolarHBondContact ND1-N 3.02Å; H790-K792 PolarHBondContact O-N 3.08Å; H790-K792 VanDerWaalsContact O-N 3.14Å; K792-I795 PolarHBondContact O-N 3.43Å; K792-H796 WeakPolarHBondContact O-CB 3.36Å; K792-H796 PolarHBondContact O-N 3.03Å
793R77Confident73.2Confident81 Ų8147.8 Ų47.831%0.30623%0.228SC..Hα-helixtrans-70.3-40-179.9-74.5-165176.1-162.96.8113.1L744 Q787 H790 P791 H796 Y797L744-R793 HydrophobicContact CD2-CB 4.47Å; Q787-R793 WeakPolarHBondContact O-CD 3.45Å; Q787-R793 PolarHBondContact O-NE 3.14Å; H790-R793 WeakPolarHBondContact O-CB 3.42Å; H790-R793 PolarHBondContact O-N 3.14Å; P791-R793 PolarHBondContact O-N 3.46Å; R793-H796 PolarHBondContact O-N 2.94Å; R793-Y797 WeakPolarHBondContact O-CB 3.49Å; R793-Y797 PolarHBondContact O-N 3.42Å
794I80Confident74.1Confident4 Ų446.4 Ų46.42%0.02121%0.213CC..Hα-helixtrans-62.3-47.9174.1-64.8172.1000109.5L741 L744 N748 P791 H796 Y797 F798 Y817L741-I794 HydrophobicContact CD2-CG2 4.41Å; L744-I794 HydrophobicContact CB-CG1 3.97Å; N748-I794 HydrophobicContact CB-CD1 4.11Å; P791-I794 PolarHBondContact O-N 3.44Å; I794-H796 PolarHBondContact O-N 3.17Å; I794-Y797 WeakPolarHBondContact O-CB 3.42Å; I794-Y797 PolarHBondContact O-N 2.71Å; I794-Y797 VanDerWaalsContact O-N 3.17Å; I794-F798 HydrophobicContact CG2-CD2 3.96Å; I794-F798 HydrophobicContact CG2-CE2 3.78Å; I794-F798 VanDerWaalsContact O-CD2 3.28Å; I794-F798 WeakPolarHBondContact O-CD2 3.47Å; I794-F798 PolarHBondContact O-N 3.11Å; I794-F798 VanDerWaalsContact O-N 3.09Å; I794-Y817 HydrophobicContact CD1-CE1 4.14Å
795I78.8Confident75Confident17 Ų1746.9 Ų46.99%0.08722%0.222CC..Hα-helixtrans-61.4-43.4177.7-65.1161.1000111.4P791 K792 Y797 F798 I799 H822P791-I795 PolarHBondContact O-N 3.03Å; K792-I795 PolarHBondContact O-N 3.43Å; I795-Y797 VanDerWaalsContact C-N 3.34Å; I795-Y797 PolarHBondContact O-N 2.73Å; I795-F798 PolarHBondContact O-N 2.95Å; I795-I799 HydrophobicContact CG2-CD1 3.86Å; I795-I799 WeakPolarHBondContact O-CG1 3.33Å; I795-I799 PolarHBondContact O-N 3.02Å; I795-H822 HydrophobicContact CD1-CB 4.34Å
796H78.7Confident75.9Confident79 Ų7949.1 Ų49.137%0.36623%0.232SC..Hα-helixtrans-61.5-40175176.397.3000111.7K792 R793 I794 F798 I799 H800K792-H796 WeakPolarHBondContact O-CB 3.36Å; K792-H796 PolarHBondContact O-N 3.03Å; R793-H796 PolarHBondContact O-N 2.94Å; I794-H796 PolarHBondContact O-N 3.17Å; H796-F798 PolarHBondContact O-N 2.89Å; H796-I799 PolarHBondContact O-N 3.3Å; H796-H800 AromaticContact CE1-CD2 3.36Å; H796-H800 PolarHBondContact CE1-CD2 3.42Å; H796-H800 AromaticContact CE1-CE1 3.81Å; H796-H800 AromaticContact CE1-CG 3.65Å; H796-H800 AromaticContact CE1-ND1 3.91Å; H796-H800 AromaticContact CE1-NE2 3.5Å; H796-H800 PolarHBondContact CE1-NE2 2.96Å; H796-H800 AromaticContact CG-CD2 3.72Å; H796-H800 AromaticContact ND1-CD2 3.24Å; H796-H800 PolarHBondContact ND1-CD2 3.01Å; H796-H800 AromaticContact ND1-CG 3.99Å; H796-H800 AromaticContact ND1-NE2 3.37Å; H796-H800 PolarHBondContact ND1-NE2 3.06Å; H796-H800 AromaticContact NE2-CD2 3.88Å; H796-H800 AromaticContact NE2-CG 3.89Å; H796-H800 WeakPolarHBondContact O-CB 3.14Å; H796-H800 PolarHBondContact O-CD2 3.14Å; H796-H800 PolarHBondContact O-N 3.3Å
797Y82.7Confident77Confident6 Ų644.2 Ų44.22%0.02421%0.209CC..Hα-helixtrans-60.4-45.6175.6-162.8-81.5000111.6I728 Q732 H737 A740 L741 L744 R793 I794 I795 I799 Y801 L802I728-Y797 HydrophobicContact CG2-CE2 4.27Å; Q732-Y797 HydrophobicContact CB-CE2 4.39Å; Q732-Y797 HydrophobicContact CG-CE2 4.46Å; H737-Y797 HydrophobicContact CB-CE1 4.23Å; H737-Y797 AromaticContact ND1-CE1 3.71Å; H737-Y797 AromaticContact ND1-CZ 3.69Å; H737-Y797 PolarHBondContact ND1-OH 3.15Å; A740-Y797 HydrophobicContact CB-CE2 4Å; A740-Y797 VanDerWaalsContact CB-OH 3.31Å; A740-Y797 WeakPolarHBondContact CB-OH 3.35Å; L741-Y797 HydrophobicContact CD2-CD1 3.73Å; L741-Y797 HydrophobicContact CD2-CE1 4.32Å; L741-Y797 HydrophobicContact CD2-CG 4.15Å; L741-Y797 HydrophobicContact CG-CD1 4.03Å; L741-Y797 HydrophobicContact CG-CE1 4.12Å; L744-Y797 HydrophobicContact CD1-CD2 4Å; L744-Y797 HydrophobicContact CD1-CG 4.29Å; R793-Y797 WeakPolarHBondContact O-CB 3.49Å; R793-Y797 PolarHBondContact O-N 3.42Å; I794-Y797 WeakPolarHBondContact O-CB 3.42Å; I794-Y797 PolarHBondContact O-N 2.71Å; I794-Y797 VanDerWaalsContact O-N 3.17Å; I795-Y797 VanDerWaalsContact C-N 3.34Å; I795-Y797 PolarHBondContact O-N 2.73Å; Y797-I799 PolarHBondContact O-N 3.42Å; Y797-Y801 AromaticContact CD2-CD2 3.64Å; Y797-Y801 HydrophobicContact CD2-CD2 3.64Å; Y797-Y801 HydrophobicContact CD2-CE2 4.32Å; Y797-Y801 AromaticContact CE2-CD2 3.96Å; Y797-Y801 HydrophobicContact CE2-CD2 3.96Å; Y797-Y801 HydrophobicContact CG-CD2 4.03Å; Y797-Y801 PolarHBondContact O-N 3.19Å; Y797-L802 HydrophobicContact CD1-CD1 3.95Å; Y797-L802 HydrophobicContact CD1-CG 4.06Å; Y797-L802 HydrophobicContact CE1-CD1 4.13Å; Y797-L802 HydrophobicContact CE1-CD2 4.22Å; Y797-L802 HydrophobicContact CE1-CG 4.05Å; Y797-L802 PolarHBondContact O-N 3.08Å
798F84.3Confident77.9Confident0 Ų043.5 Ų43.50%021%0.209CC..Hα-helixtrans-63-38.4174.2-80.2-73.9000113.5L741 I794 I795 H796 L802 L809 L810 Y813 I818 I829 W833L741-F798 HydrophobicContact CD1-CE1 4.25Å; L741-F798 HydrophobicContact CD1-CE2 4.29Å; L741-F798 HydrophobicContact CD1-CZ 3.75Å; L741-F798 HydrophobicContact CD2-CE2 3.96Å; L741-F798 HydrophobicContact CD2-CZ 4.27Å; I794-F798 HydrophobicContact CG2-CD2 3.96Å; I794-F798 HydrophobicContact CG2-CE2 3.78Å; I794-F798 VanDerWaalsContact O-CD2 3.28Å; I794-F798 WeakPolarHBondContact O-CD2 3.47Å; I794-F798 PolarHBondContact O-N 3.11Å; I794-F798 VanDerWaalsContact O-N 3.09Å; I795-F798 PolarHBondContact O-N 2.95Å; H796-F798 PolarHBondContact O-N 2.89Å; F798-L802 HydrophobicContact CD1-CD1 3.43Å; F798-L802 VanDerWaalsContact CD1-CD1 3.43Å; F798-L802 HydrophobicContact CE1-CD1 3.58Å; F798-L802 HydrophobicContact CG-CD1 4.16Å; F798-L802 HydrophobicContact CZ-CD1 4.42Å; F798-L809 HydrophobicContact CE1-CB 4.45Å; F798-L809 WeakPolarHBondContact CZ-O 3.46Å; F798-L810 HydrophobicContact CD1-CB 4.25Å; F798-L810 HydrophobicContact CD1-CD1 3.83Å; F798-L810 HydrophobicContact CE1-CB 3.93Å; F798-L810 HydrophobicContact CE1-CD1 3.96Å; F798-L810 HydrophobicContact CG-CD1 4.24Å; F798-L810 HydrophobicContact CZ-CD1 4.46Å; F798-Y813 HydrophobicContact CE2-CG 4.46Å; F798-Y813 HydrophobicContact CZ-CD2 4.46Å; F798-Y813 HydrophobicContact CZ-CG 4.12Å; F798-I818 HydrophobicContact CD2-CD1 3.97Å; F798-I818 HydrophobicContact CE2-CD1 3.74Å; F798-I818 HydrophobicContact CZ-CD1 4.3Å; F798-I829 HydrophobicContact CB-CD1 3.6Å; F798-I829 HydrophobicContact CB-CG1 3.81Å; F798-I829 HydrophobicContact CB-CG2 4.03Å; F798-I829 HydrophobicContact CD2-CD1 4.44Å; F798-I829 HydrophobicContact CG-CD1 4.11Å; F798-W833 HydrophobicContact CD1-CZ2 4.13Å; F798-W833 PolarHBondContact O-NE1 3.2Å
799I81.1Confident78.5Confident11 Ų1144.2 Ų44.26%0.05621%0.213CC..Hα-helixtrans-72.8-50.6179.7-70.3172.2000111.8I795 H796 Y797 R828 I829 Y832 K836I795-I799 HydrophobicContact CG2-CD1 3.86Å; I795-I799 WeakPolarHBondContact O-CG1 3.33Å; I795-I799 PolarHBondContact O-N 3.02Å; H796-I799 PolarHBondContact O-N 3.3Å; Y797-I799 PolarHBondContact O-N 3.42Å; I799-R828 HydrophobicContact CD1-CG 3.97Å; I799-I829 HydrophobicContact CD1-CG1 4.49Å; I799-I829 HydrophobicContact CG1-CG1 3.81Å; I799-Y832 HydrophobicContact CD1-CD2 4.29Å; I799-Y832 HydrophobicContact CD1-CE2 4.42Å; I799-Y832 HydrophobicContact CG1-CD2 4.21Å; I799-Y832 HydrophobicContact CG2-CD1 4.14Å; I799-Y832 HydrophobicContact CG2-CD2 3.65Å; I799-Y832 HydrophobicContact CG2-CE1 4.45Å; I799-Y832 HydrophobicContact CG2-CE2 4.05Å; I799-Y832 HydrophobicContact CG2-CG 3.72Å; I799-K836 WeakPolarHBondContact O-CE 3.45Å; I799-K836 PolarHBondContact O-NZ 2.6Å
800H79.5Confident79.5Confident101 Ų10144.2 Ų44.247%0.46821%0.212SC..Hα-helixtrans-86.4-48.4-169.6-69.6-103.9000112.2H796 K836H796-H800 AromaticContact CE1-CD2 3.36Å; H796-H800 PolarHBondContact CE1-CD2 3.42Å; H796-H800 AromaticContact CE1-CE1 3.81Å; H796-H800 AromaticContact CE1-CG 3.65Å; H796-H800 AromaticContact CE1-ND1 3.91Å; H796-H800 AromaticContact CE1-NE2 3.5Å; H796-H800 PolarHBondContact CE1-NE2 2.96Å; H796-H800 AromaticContact CG-CD2 3.72Å; H796-H800 AromaticContact ND1-CD2 3.24Å; H796-H800 PolarHBondContact ND1-CD2 3.01Å; H796-H800 AromaticContact ND1-CG 3.99Å; H796-H800 AromaticContact ND1-NE2 3.37Å; H796-H800 PolarHBondContact ND1-NE2 3.06Å; H796-H800 AromaticContact NE2-CD2 3.88Å; H796-H800 AromaticContact NE2-CG 3.89Å; H796-H800 WeakPolarHBondContact O-CB 3.14Å; H796-H800 PolarHBondContact O-CD2 3.14Å; H796-H800 PolarHBondContact O-N 3.3Å; H800-K836 PolarHBondContact O-NZ 2.78Å
801Y77.7Confident80.1Confident98 Ų9843 Ų4338%0.38421%0.208SC..THydrogen-bonded Turntrans-97.5-18.2-168.6-52.6-52.6000115Q732 Y797Q732-Y801 HydrophobicContact CG-CD1 4.13Å; Q732-Y801 HydrophobicContact CG-CD2 4.32Å; Q732-Y801 HydrophobicContact CG-CG 3.96Å; Q732-Y801 VanDerWaalsContact NE2-CD1 3.3Å; Y797-Y801 AromaticContact CD2-CD2 3.64Å; Y797-Y801 HydrophobicContact CD2-CD2 3.64Å; Y797-Y801 HydrophobicContact CD2-CE2 4.32Å; Y797-Y801 AromaticContact CE2-CD2 3.96Å; Y797-Y801 HydrophobicContact CE2-CD2 3.96Å; Y797-Y801 HydrophobicContact CG-CD2 4.03Å; Y797-Y801 PolarHBondContact O-N 3.19Å
802L83.9Confident80.5Confident1 Ų146.6 Ų46.61%0.00523%0.226CC..  trans-105.7164.6178.5-61.5178.8000113.2H737 L741 Y797 F798 H806 W833 K836H737-L802 HydrophobicContact CB-CD2 3.78Å; L741-L802 HydrophobicContact CD1-CD1 4.13Å; Y797-L802 HydrophobicContact CD1-CD1 3.95Å; Y797-L802 HydrophobicContact CD1-CG 4.06Å; Y797-L802 HydrophobicContact CE1-CD1 4.13Å; Y797-L802 HydrophobicContact CE1-CD2 4.22Å; Y797-L802 HydrophobicContact CE1-CG 4.05Å; Y797-L802 PolarHBondContact O-N 3.08Å; F798-L802 HydrophobicContact CD1-CD1 3.43Å; F798-L802 VanDerWaalsContact CD1-CD1 3.43Å; F798-L802 HydrophobicContact CE1-CD1 3.58Å; F798-L802 HydrophobicContact CG-CD1 4.16Å; F798-L802 HydrophobicContact CZ-CD1 4.42Å; L802-H806 HydrophobicContact CB-CB 4.32Å; L802-H806 HydrophobicContact CD2-CB 3.99Å; L802-W833 HydrophobicContact CB-CZ2 3.8Å; L802-W833 PolarHBondContact O-NE1 3.33Å; L802-K836 PolarHBondContact O-NZ 2.9Å
803D80.6Confident80.6Confident41 Ų4140.2 Ų40.222%0.21920%0.198CC..  trans-145-177.7-179.185.6-25.6000111.7S805 H806 W833 K836D803-S805 PolarHBondContact O-N 3.08Å; D803-S805 WeakPolarHBondContact OD1-CB 3.3Å; D803-S805 PolarHBondContact OD1-N 2.98Å; D803-S805 PolarHBondContact OD1-OG 2.66Å; D803-H806 WeakPolarHBondContact O-CB 3Å; D803-H806 PolarHBondContact O-N 2.75Å; D803-H806 IonicContact OD1-CE1 2.8Å; D803-H806 IonicContact OD1-CG 2.69Å; D803-H806 IonicContact OD1-ND1 3.58Å; D803-H806 PolarHBondContact OD1-ND1 3.44Å; D803-W833 VanDerWaalsContact O-CH2 3.31Å; D803-W833 WeakPolarHBondContact O-CH2 3.35Å; D803-W833 WeakPolarHBondContact O-CZ2 3.3Å; D803-W833 WeakPolarHBondContact O-CZ3 3.27Å; D803-K836 HydrophobicContact CB-CD 4.31Å
804A80.3Confident80.5Confident4 Ų436.4 Ų36.43%0.03318%0.183CC..G310 helixtrans-56.3-20.3-179.800000115.6H806 L837 F863 Y867A804-H806 VanDerWaalsContact C-N 3.27Å; A804-L837 HydrophobicContact CB-CD1 3.86Å; A804-L837 HydrophobicContact CB-CD2 3.95Å; A804-L837 HydrophobicContact CB-CG 3.99Å; A804-F863 HydrophobicContact CB-CE1 4.23Å; A804-F863 HydrophobicContact CB-CZ 4.37Å; A804-Y867 HydrophobicContact CB-CD1 4.37Å; A804-Y867 HydrophobicContact CB-CD2 3.67Å; A804-Y867 HydrophobicContact CB-CE1 4.2Å; A804-Y867 HydrophobicContact CB-CE2 3.46Å; A804-Y867 VanDerWaalsContact CB-CE2 3.46Å; A804-Y867 HydrophobicContact CB-CG 4.14Å
805S78.6Confident80Confident72 Ų7240.6 Ų40.650%0.50320%0.203SC..G310 helixtrans-75.2-19.4175.371.20000112.9D803 L807D803-S805 PolarHBondContact O-N 3.08Å; D803-S805 WeakPolarHBondContact OD1-CB 3.3Å; D803-S805 PolarHBondContact OD1-N 2.98Å; D803-S805 PolarHBondContact OD1-OG 2.66Å; S805-L807 VanDerWaalsContact C-N 3.33Å; S805-L807 PolarHBondContact O-N 3.42Å
806H81.2Confident79.3Confident51 Ų5143.3 Ų43.324%0.23622%0.218CC..G310 helixtrans-95.623.6-179.3-61.587.6000113H737 L802 D803 A804 N808 L809 L810H737-H806 AromaticContact CD2-CD2 3.7Å; H737-H806 AromaticContact CD2-NE2 3.35Å; H737-H806 PolarHBondContact CD2-NE2 3.21Å; H737-H806 VanDerWaalsContact CD2-NE2 3.35Å; H737-H806 AromaticContact NE2-NE2 3.81Å; L802-H806 HydrophobicContact CB-CB 4.32Å; L802-H806 HydrophobicContact CD2-CB 3.99Å; D803-H806 WeakPolarHBondContact O-CB 3Å; D803-H806 PolarHBondContact O-N 2.75Å; D803-H806 IonicContact OD1-CE1 2.8Å; D803-H806 IonicContact OD1-CG 2.69Å; D803-H806 IonicContact OD1-ND1 3.58Å; D803-H806 PolarHBondContact OD1-ND1 3.44Å; A804-H806 VanDerWaalsContact C-N 3.27Å; H806-N808 VanDerWaalsContact C-N 3.28Å; H806-N808 PolarHBondContact O-N 2.75Å; H806-L809 PolarHBondContact O-N 2.95Å; H806-L809 VanDerWaalsContact O-N 3.11Å; H806-L810 PolarHBondContact O-N 3.48Å
807L84.1Confident78.8Confident5 Ų541.2 Ų41.23%0.02621%0.207CC..Hα-helixtrans-54.2-41.4-175.3-179.759.2000112.8S805 L809 L810 L811 W833 Y867 Q870 I871S805-L807 VanDerWaalsContact C-N 3.33Å; S805-L807 PolarHBondContact O-N 3.42Å; L807-L809 VanDerWaalsContact C-N 3.31Å; L807-L809 PolarHBondContact O-N 3.07Å; L807-L810 HydrophobicContact CD1-CD2 4.39Å; L807-L810 CarbonylContact O-C 3.48Å; L807-L810 WeakPolarHBondContact O-CA 3.48Å; L807-L810 WeakPolarHBondContact O-CB 3.06Å; L807-L810 PolarHBondContact O-N 3.02Å; L807-L811 HydrophobicContact CD1-CD2 3.86Å; L807-L811 HydrophobicContact CD1-CG 4.26Å; L807-L811 HydrophobicContact CG-CD1 4.47Å; L807-L811 HydrophobicContact CG-CD2 4.27Å; L807-L811 HydrophobicContact CG-CG 4.19Å; L807-L811 WeakPolarHBondContact O-CG 3.44Å; L807-L811 PolarHBondContact O-N 3.48Å; L807-W833 HydrophobicContact CB-CZ3 4.38Å; L807-W833 HydrophobicContact CD1-CZ3 4.16Å; L807-Y867 HydrophobicContact CB-CD2 4.45Å; L807-Y867 HydrophobicContact CD1-CE2 4.41Å; L807-Y867 HydrophobicContact CD2-CD2 3.96Å; L807-Y867 HydrophobicContact CD2-CE2 4.42Å; L807-Q870 HydrophobicContact CD2-CB 3.69Å; L807-I871 HydrophobicContact CD1-CD1 4.22Å; L807-I871 HydrophobicContact CD1-CG1 3.74Å; L807-I871 HydrophobicContact CD2-CG1 3.97Å
808N82.2Confident78.3Confident105 Ų10540.9 Ų40.956%0.56121%0.206SC*.Hα-helixtrans-54.1-45.8178.4-61.9-0.2000112.2H806 L810 L811 D812H806-N808 VanDerWaalsContact C-N 3.28Å; H806-N808 PolarHBondContact O-N 2.75Å; N808-L810 VanDerWaalsContact C-N 3.25Å; N808-L810 PolarHBondContact O-N 3.29Å; N808-L811 PolarHBondContact O-N 3.45Å; N808-D812 PolarHBondContact O-N 3.05Å
809L80.7Confident77.8Confident19 Ų1942.1 Ų42.110%0.09921%0.212CC..Hα-helixtrans-64.1-30176.9-65.6175.4000112.3H737 Q738 L741 F798 H806 L807 Y813H737-L809 HydrophobicContact CB-CD1 3.83Å; Q738-L809 HydrophobicContact CB-CD2 3.96Å; Q738-L809 HydrophobicContact CG-CD2 4.02Å; L741-L809 HydrophobicContact CD1-CB 4.41Å; F798-L809 HydrophobicContact CE1-CB 4.45Å; F798-L809 WeakPolarHBondContact CZ-O 3.46Å; H806-L809 PolarHBondContact O-N 2.95Å; H806-L809 VanDerWaalsContact O-N 3.11Å; L807-L809 VanDerWaalsContact C-N 3.31Å; L807-L809 PolarHBondContact O-N 3.07Å; L809-Y813 WeakPolarHBondContact O-CD2 3.28Å; L809-Y813 PolarHBondContact O-N 3.02Å
810L83.3Confident77.2Confident0 Ų048.4 Ų48.40%024%0.235CC..Hα-helixtrans-72.4-38.7171.9-178.864.4000111.3F798 H806 L807 N808 S814 I818 I829 L830 W833F798-L810 HydrophobicContact CD1-CB 4.25Å; F798-L810 HydrophobicContact CD1-CD1 3.83Å; F798-L810 HydrophobicContact CE1-CB 3.93Å; F798-L810 HydrophobicContact CE1-CD1 3.96Å; F798-L810 HydrophobicContact CG-CD1 4.24Å; F798-L810 HydrophobicContact CZ-CD1 4.46Å; H806-L810 PolarHBondContact O-N 3.48Å; L807-L810 HydrophobicContact CD1-CD2 4.39Å; L807-L810 CarbonylContact O-C 3.48Å; L807-L810 WeakPolarHBondContact O-CA 3.48Å; L807-L810 WeakPolarHBondContact O-CB 3.06Å; L807-L810 PolarHBondContact O-N 3.02Å; N808-L810 VanDerWaalsContact C-N 3.25Å; N808-L810 PolarHBondContact O-N 3.29Å; L810-S814 WeakPolarHBondContact O-CB 3.37Å; L810-S814 PolarHBondContact O-N 3.39Å; L810-S814 PolarHBondContact O-OG 2.93Å; L810-I818 HydrophobicContact CD1-CD1 3.8Å; L810-I829 HydrophobicContact CD1-CD1 4.03Å; L810-I829 HydrophobicContact CD1-CG2 4.12Å; L810-I829 HydrophobicContact CD2-CG2 3.91Å; L810-L830 HydrophobicContact CD2-CD2 3.78Å; L810-W833 HydrophobicContact CB-CH2 3.66Å; L810-W833 HydrophobicContact CB-CZ2 4.48Å; L810-W833 HydrophobicContact CB-CZ3 4.17Å; L810-W833 HydrophobicContact CD2-CE3 4.3Å; L810-W833 HydrophobicContact CD2-CH2 3.82Å; L810-W833 HydrophobicContact CD2-CZ2 4.43Å; L810-W833 HydrophobicContact CD2-CZ3 3.73Å; L810-W833 HydrophobicContact CG-CH2 4.32Å
811L83.1Confident76.7Confident30 Ų3049 Ų4916%0.15723%0.234CC..Hα-helixtrans-63.7-54.2178.5-58.4-166.6000111L807 N808 Y813 S814 E815 Y874L807-L811 HydrophobicContact CD1-CD2 3.86Å; L807-L811 HydrophobicContact CD1-CG 4.26Å; L807-L811 HydrophobicContact CG-CD1 4.47Å; L807-L811 HydrophobicContact CG-CD2 4.27Å; L807-L811 HydrophobicContact CG-CG 4.19Å; L807-L811 WeakPolarHBondContact O-CG 3.44Å; L807-L811 PolarHBondContact O-N 3.48Å; N808-L811 PolarHBondContact O-N 3.45Å; L811-Y813 VanDerWaalsContact C-N 3.28Å; L811-Y813 PolarHBondContact O-N 3.13Å; L811-S814 WeakPolarHBondContact CA-OG 3.42Å; L811-S814 PolarHBondContact O-N 3.16Å; L811-S814 PolarHBondContact O-OG 3.33Å; L811-E815 PolarHBondContact O-N 3.31Å; L811-Y874 HydrophobicContact CB-CD2 4.41Å; L811-Y874 HydrophobicContact CB-CE2 4.09Å; L811-Y874 HydrophobicContact CD1-CD2 4Å; L811-Y874 HydrophobicContact CD1-CE2 4.48Å; L811-Y874 HydrophobicContact CD1-CG 4.39Å; L811-Y874 HydrophobicContact CD2-CD1 3.72Å; L811-Y874 HydrophobicContact CD2-CD2 3.89Å; L811-Y874 HydrophobicContact CD2-CE1 4.04Å; L811-Y874 HydrophobicContact CD2-CE2 4.21Å; L811-Y874 HydrophobicContact CD2-CG 3.64Å; L811-Y874 HydrophobicContact CG-CD2 4.31Å; L811-Y874 HydrophobicContact CG-CE2 4.47Å; L811-Y874 PolarHBondContact O-OH 3.37Å
812D79.5Confident76.4Confident94 Ų9447.5 Ų47.550%0.50323%0.23SC..Hα-helixtrans-53.3-42.9-178.7-62.4-20.1000112.3N808N808-D812 PolarHBondContact O-N 3.05Å
813Y74.6Confident75.7Confident26 Ų2647.9 Ų47.910%0.10223%0.233CC..Hα-helixtrans-83.2-17.5179-75.8-110.4000112.9L741 S742 Q745 F798 L809 L811 Y817 I818L741-Y813 HydrophobicContact CB-CE1 3.87Å; L741-Y813 HydrophobicContact CB-CE2 4.3Å; L741-Y813 VanDerWaalsContact CB-OH 3.29Å; L741-Y813 WeakPolarHBondContact CB-OH 3.31Å; L741-Y813 HydrophobicContact CD1-CE2 4.28Å; S742-Y813 PolarHBondContact N-OH 3.45Å; Q745-Y813 HydrophobicContact CB-CE1 4.19Å; Q745-Y813 PolarHBondContact OE1-OH 3.25Å; F798-Y813 HydrophobicContact CE2-CG 4.46Å; F798-Y813 HydrophobicContact CZ-CD2 4.46Å; F798-Y813 HydrophobicContact CZ-CG 4.12Å; L809-Y813 WeakPolarHBondContact O-CD2 3.28Å; L809-Y813 PolarHBondContact O-N 3.02Å; L811-Y813 VanDerWaalsContact C-N 3.28Å; L811-Y813 PolarHBondContact O-N 3.13Å; Y813-Y817 WeakPolarHBondContact O-CB 3.42Å; Y813-Y817 PolarHBondContact O-N 3.01Å; Y813-I818 PolarHBondContact O-N 3.46Å
814S75Confident75.2Confident0 Ų050.8 Ų50.80%025%0.247CC..Iπ-helixtrans-82.8-35-177.167.10000114.2L810 L811 N816 I818 L819 W826 Y874L810-S814 WeakPolarHBondContact O-CB 3.37Å; L810-S814 PolarHBondContact O-N 3.39Å; L810-S814 PolarHBondContact O-OG 2.93Å; L811-S814 WeakPolarHBondContact CA-OG 3.42Å; L811-S814 PolarHBondContact O-N 3.16Å; L811-S814 PolarHBondContact O-OG 3.33Å; S814-N816 PolarHBondContact O-N 3.27Å; S814-I818 PolarHBondContact O-N 3.21Å; S814-L819 WeakPolarHBondContact O-CB 3.35Å; S814-L819 PolarHBondContact O-N 2.72Å; S814-L819 VanDerWaalsContact O-N 3.09Å; S814-W826 VanDerWaalsContact CB-NE1 3.33Å; S814-Y874 WeakPolarHBondContact OG-CE1 3.38Å; S814-Y874 PolarHBondContact OG-OH 3.48Å; S814-Y874 VanDerWaalsContact OG-OH 3.05Å
815E70Confident74.8Confident93 Ų9352 Ų5244%0.43526%0.256SS..Iπ-helixtrans-57.3-50.5179-176.4175.1-13600111.4L811 Y874 Y878L811-E815 PolarHBondContact O-N 3.31Å; E815-Y874 WeakPolarHBondContact CA-OH 3.45Å; E815-Y874 WeakPolarHBondContact CB-OH 3.45Å; E815-Y874 PolarHBondContact N-OH 3.04Å; E815-Y874 VanDerWaalsContact N-OH 3.14Å; E815-Y878 HydrophobicContact CG-CD1 4.37Å; E815-Y878 HydrophobicContact CG-CE1 3.76Å; E815-Y878 WeakPolarHBondContact OE1-CE1 3.43Å; E815-Y878 PolarHBondContact OE1-OH 3.08Å
816N63.9Low75Confident73 Ų7348.6 Ų48.639%0.3923%0.232SC..Iπ-helixtrans-87.6-20.6-172.8-71.4-69.4000113.8M761 S814M761-N816 HydrophobicContact CE-CB 4.36Å; S814-N816 PolarHBondContact O-N 3.27Å
817Y69.2Low74.8Confident35 Ų3547.5 Ų47.514%0.13723%0.227CC..Iπ-helixtrans-137.9-70.5-167.1-170.1-103.2000114N748 P791 I794 Y813 L819 R820 Y821N748-Y817 PolarHBondContact ND2-OH 3.41Å; N748-Y817 WeakPolarHBondContact OD1-CE2 3.44Å; N748-Y817 PolarHBondContact OD1-OH 2.89Å; P791-Y817 WeakPolarHBondContact CB-OH 3.16Å; I794-Y817 HydrophobicContact CD1-CE1 4.14Å; Y813-Y817 WeakPolarHBondContact O-CB 3.42Å; Y813-Y817 PolarHBondContact O-N 3.01Å; Y817-L819 PolarHBondContact O-N 2.82Å; Y817-R820 PolarHBondContact O-N 3.35Å; Y817-R820 VanDerWaalsContact O-N 3.15Å; Y817-Y821 HydrophobicContact CD2-CD2 4.11Å; Y817-Y821 HydrophobicContact CD2-CE2 4.4Å; Y817-Y821 WeakPolarHBondContact O-CD2 3.43Å; Y817-Y821 PolarHBondContact O-N 3.17Å
818I72.6Confident74.4Confident0 Ų053.8 Ų53.80%025%0.251CS..Iπ-helixtrans-66.3-42.9-162.7-47.8169.4000112F798 L810 Y813 S814 H822 W826 I829F798-I818 HydrophobicContact CD2-CD1 3.97Å; F798-I818 HydrophobicContact CE2-CD1 3.74Å; F798-I818 HydrophobicContact CZ-CD1 4.3Å; L810-I818 HydrophobicContact CD1-CD1 3.8Å; Y813-I818 PolarHBondContact O-N 3.46Å; S814-I818 PolarHBondContact O-N 3.21Å; I818-H822 CarbonylContact O-C 3.48Å; I818-H822 VanDerWaalsContact O-CA 3.31Å; I818-H822 WeakPolarHBondContact O-CA 3.39Å; I818-H822 PolarHBondContact O-N 3.02Å; I818-W826 HydrophobicContact CG2-CB 3.92Å; I818-W826 HydrophobicContact CG2-CG 4.3Å; I818-I829 HydrophobicContact CD1-CD1 4.44Å; I818-I829 HydrophobicContact CG2-CD1 4.45Å
819L72Confident74.4Confident26 Ų2648.8 Ų48.814%0.13622%0.224CC..Hα-helixtrans-70.4-33.3176.5-79.2169.1000112.6S814 Y817 W826 Y874 A879 L882S814-L819 WeakPolarHBondContact O-CB 3.35Å; S814-L819 PolarHBondContact O-N 2.72Å; S814-L819 VanDerWaalsContact O-N 3.09Å; Y817-L819 PolarHBondContact O-N 2.82Å; L819-W826 HydrophobicContact CD1-CZ2 4.44Å; L819-W826 HydrophobicContact CD2-CB 4.32Å; L819-W826 HydrophobicContact CD2-CD2 3.64Å; L819-W826 HydrophobicContact CD2-CE3 3.56Å; L819-W826 HydrophobicContact CD2-CG 3.98Å; L819-W826 HydrophobicContact CD2-CZ3 4.03Å; L819-W826 HydrophobicContact CG-CD2 4.08Å; L819-W826 HydrophobicContact CG-CE3 4.44Å; L819-W826 HydrophobicContact CG-CG 4.23Å; L819-Y874 HydrophobicContact CD1-CD1 4.42Å; L819-Y874 HydrophobicContact CD1-CE1 3.67Å; L819-A879 HydrophobicContact CD1-CB 4.13Å; L819-A879 HydrophobicContact CD2-CB 3.83Å; L819-L882 HydrophobicContact CD2-CD1 3.62Å
820R68.8Low74.6Confident143 Ų14347.9 Ų47.954%0.5422%0.219SC..Hα-helixtrans-73.6-34.3-175.5-170171.9-177.2172.1-2.4113.2Y817Y817-R820 PolarHBondContact O-N 3.35Å; Y817-R820 VanDerWaalsContact O-N 3.15Å
821Y68.5Low74.5Confident113 Ų11350.2 Ų50.244%0.44323%0.229SC..Hα-helixtrans-112.8-30.2-176.8-60.3-74.9000114Y817Y817-Y821 HydrophobicContact CD2-CD2 4.11Å; Y817-Y821 HydrophobicContact CD2-CE2 4.4Å; Y817-Y821 WeakPolarHBondContact O-CD2 3.43Å; Y817-Y821 PolarHBondContact O-N 3.17Å
822H72Confident74.3Confident66 Ų6652.2 Ų52.231%0.30623%0.234SC..  trans-140.956.8-170.6-61.4-44.6000114.3I795 I818 I824 S825 W826I795-H822 HydrophobicContact CD1-CB 4.34Å; I818-H822 CarbonylContact O-C 3.48Å; I818-H822 VanDerWaalsContact O-CA 3.31Å; I818-H822 WeakPolarHBondContact O-CA 3.39Å; I818-H822 PolarHBondContact O-N 3.02Å; H822-I824 VanDerWaalsContact C-N 3.28Å; H822-I824 PolarHBondContact O-N 3.17Å; H822-S825 WeakPolarHBondContact O-CA 3.36Å; H822-S825 WeakPolarHBondContact O-CB 3.42Å; H822-S825 PolarHBondContact O-N 3.17Å; H822-W826 PolarHBondContact O-N 3.35Å; H822-W826 VanDerWaalsContact O-N 3.1Å
823P70.1Confident74.7Confident9 Ų947.7 Ų47.76%0.05821%0.21CC..Hα-helixtrans-61.8-29.6-176.123.3-33.3000114.3S825 W826 L827 L882 F1055 L1059P823-S825 VanDerWaalsContact C-N 3.35Å; P823-W826 WeakPolarHBondContact O-CB 3.35Å; P823-W826 PolarHBondContact O-N 3.44Å; P823-L827 PolarHBondContact O-N 2.82Å; P823-L827 VanDerWaalsContact O-N 3.12Å; P823-L882 HydrophobicContact CB-CD1 4.24Å; P823-F1055 HydrophobicContact CG-CE1 4.49Å; P823-L1059 HydrophobicContact CB-CD1 4.27Å; P823-L1059 HydrophobicContact CG-CD1 3.52Å; P823-L1059 HydrophobicContact CG-CD2 4.29Å
824I68.7Low75.1Confident102 Ų10246.6 Ų46.652%0.52321%0.206SC..Hα-helixtrans-65.6-39.4172.8-60.1175.1000110.7H822 W826 L827 R828 L1059H822-I824 VanDerWaalsContact C-N 3.28Å; H822-I824 PolarHBondContact O-N 3.17Å; I824-W826 VanDerWaalsContact C-N 3.3Å; I824-W826 PolarHBondContact O-N 3.09Å; I824-L827 PolarHBondContact O-N 2.78Å; I824-R828 PolarHBondContact O-N 2.82Å; I824-L1059 HydrophobicContact CG1-CD2 4.14Å
825S73.5Confident75.2Confident30 Ų3049.7 Ų49.721%0.2122%0.221CC..Hα-helixtrans-67.7-31.2175.2-55.90000112H822 P823 R828 I829H822-S825 WeakPolarHBondContact O-CA 3.36Å; H822-S825 WeakPolarHBondContact O-CB 3.42Å; H822-S825 PolarHBondContact O-N 3.17Å; P823-S825 VanDerWaalsContact C-N 3.35Å; S825-R828 WeakPolarHBondContact O-CB 3.47Å; S825-R828 PolarHBondContact O-N 3.39Å; S825-I829 WeakPolarHBondContact O-CG1 3.4Å; S825-I829 PolarHBondContact O-N 2.66Å
826W81.5Confident75.8Confident0 Ų048.6 Ų48.60%021%0.214CC..Hα-helixtrans-65.2-47173.2-163.475.4000111.7S814 I818 L819 H822 P823 I824 R828 I829 L830 Y874 M875 L882S814-W826 VanDerWaalsContact CB-NE1 3.33Å; I818-W826 HydrophobicContact CG2-CB 3.92Å; I818-W826 HydrophobicContact CG2-CG 4.3Å; L819-W826 HydrophobicContact CD1-CZ2 4.44Å; L819-W826 HydrophobicContact CD2-CB 4.32Å; L819-W826 HydrophobicContact CD2-CD2 3.64Å; L819-W826 HydrophobicContact CD2-CE3 3.56Å; L819-W826 HydrophobicContact CD2-CG 3.98Å; L819-W826 HydrophobicContact CD2-CZ3 4.03Å; L819-W826 HydrophobicContact CG-CD2 4.08Å; L819-W826 HydrophobicContact CG-CE3 4.44Å; L819-W826 HydrophobicContact CG-CG 4.23Å; H822-W826 PolarHBondContact O-N 3.35Å; H822-W826 VanDerWaalsContact O-N 3.1Å; P823-W826 WeakPolarHBondContact O-CB 3.35Å; P823-W826 PolarHBondContact O-N 3.44Å; I824-W826 VanDerWaalsContact C-N 3.3Å; I824-W826 PolarHBondContact O-N 3.09Å; W826-R828 VanDerWaalsContact C-N 3.29Å; W826-R828 PolarHBondContact O-N 2.98Å; W826-I829 PolarHBondContact O-N 2.71Å; W826-L830 HydrophobicContact CD2-CD1 4.45Å; W826-L830 HydrophobicContact CE3-CD1 4.06Å; W826-L830 HydrophobicContact CH2-CD1 4.11Å; W826-L830 HydrophobicContact CZ2-CD1 4.47Å; W826-L830 HydrophobicContact CZ3-CD1 3.91Å; W826-L830 PolarHBondContact O-N 3.39Å; W826-Y874 HydrophobicContact CH2-CD1 4.25Å; W826-Y874 AromaticContact CZ2-CD1 3.98Å; W826-Y874 HydrophobicContact CZ2-CD1 3.98Å; W826-Y874 HydrophobicContact CZ2-CE1 4.25Å; W826-M875 HydrophobicContact CE3-CE 4.34Å; W826-M875 HydrophobicContact CH2-CE 3.74Å; W826-M875 HydrophobicContact CH2-CG 3.69Å; W826-M875 HydrophobicContact CZ3-CE 3.32Å; W826-M875 HydrophobicContact CZ3-CG 3.74Å; W826-M875 HydrophobicContact CZ3-SD 4.32Å; W826-L882 HydrophobicContact CE3-CD1 3.89Å; W826-L882 HydrophobicContact CZ3-CD1 4.11Å
827L78Confident76.6Confident28 Ų2845.4 Ų45.415%0.14720%0.197CC..Hα-helixtrans-60.8-36170.5-75.1176.3000112.4P823 I824 L830 Y831 M875 L882 P885P823-L827 PolarHBondContact O-N 2.82Å; P823-L827 VanDerWaalsContact O-N 3.12Å; I824-L827 PolarHBondContact O-N 2.78Å; L827-L830 PolarHBondContact O-N 2.74Å; L827-Y831 PolarHBondContact O-N 2.95Å; L827-M875 HydrophobicContact CD2-CE 4.45Å; L827-L882 HydrophobicContact CD1-CD2 4.1Å; L827-P885 HydrophobicContact CD1-CB 3.97Å
828R75.3Confident76.9Confident137 Ų13743.9 Ų43.952%0.51719%0.191SC..Hα-helixtrans-62.3-42.6174-171.9176.6176.1166.32.2111.6I799 I824 S825 W826 Y831 Y832I799-R828 HydrophobicContact CD1-CG 3.97Å; I824-R828 PolarHBondContact O-N 2.82Å; S825-R828 WeakPolarHBondContact O-CB 3.47Å; S825-R828 PolarHBondContact O-N 3.39Å; W826-R828 VanDerWaalsContact C-N 3.29Å; W826-R828 PolarHBondContact O-N 2.98Å; R828-Y831 WeakPolarHBondContact O-CB 3.44Å; R828-Y831 PolarHBondContact O-N 3.48Å; R828-Y832 HydrophobicContact CG-CD2 3.99Å; R828-Y832 HydrophobicContact CG-CE2 3.72Å; R828-Y832 VanDerWaalsContact O-CD2 3.26Å; R828-Y832 WeakPolarHBondContact O-CD2 3.47Å; R828-Y832 PolarHBondContact O-N 3.06Å
829I82.3Confident77Confident0 Ų048.9 Ų48.90%022%0.216CC..Hα-helixtrans-58.3-50.5175.1-69159000110.4F798 I799 L810 I818 S825 W826 Y831 Y832 W833F798-I829 HydrophobicContact CB-CD1 3.6Å; F798-I829 HydrophobicContact CB-CG1 3.81Å; F798-I829 HydrophobicContact CB-CG2 4.03Å; F798-I829 HydrophobicContact CD2-CD1 4.44Å; F798-I829 HydrophobicContact CG-CD1 4.11Å; I799-I829 HydrophobicContact CD1-CG1 4.49Å; I799-I829 HydrophobicContact CG1-CG1 3.81Å; L810-I829 HydrophobicContact CD1-CD1 4.03Å; L810-I829 HydrophobicContact CD1-CG2 4.12Å; L810-I829 HydrophobicContact CD2-CG2 3.91Å; I818-I829 HydrophobicContact CD1-CD1 4.44Å; I818-I829 HydrophobicContact CG2-CD1 4.45Å; S825-I829 WeakPolarHBondContact O-CG1 3.4Å; S825-I829 PolarHBondContact O-N 2.66Å; W826-I829 PolarHBondContact O-N 2.71Å; I829-Y831 VanDerWaalsContact C-N 3.3Å; I829-Y831 PolarHBondContact O-N 2.9Å; I829-Y832 PolarHBondContact O-N 3.05Å; I829-W833 HydrophobicContact CG2-CD2 4.09Å; I829-W833 HydrophobicContact CG2-CG 4.43Å; I829-W833 HydrophobicContact CG2-CZ2 4.03Å; I829-W833 PolarHBondContact O-N 3.4Å
830L85.4Confident77.4Confident0 Ų051.5 Ų51.50%023%0.227CC..Hα-helixtrans-60.5-37.4179.7-62.8-178.1000112.7L810 W826 L827 W833 E834 I871 M875 Y886L810-L830 HydrophobicContact CD2-CD2 3.78Å; W826-L830 HydrophobicContact CD2-CD1 4.45Å; W826-L830 HydrophobicContact CE3-CD1 4.06Å; W826-L830 HydrophobicContact CH2-CD1 4.11Å; W826-L830 HydrophobicContact CZ2-CD1 4.47Å; W826-L830 HydrophobicContact CZ3-CD1 3.91Å; W826-L830 PolarHBondContact O-N 3.39Å; L827-L830 PolarHBondContact O-N 2.74Å; L830-W833 HydrophobicContact CD2-CE3 4.46Å; L830-W833 PolarHBondContact O-N 3.38Å; L830-E834 WeakPolarHBondContact O-CG 3.1Å; L830-E834 PolarHBondContact O-N 3.09Å; L830-I871 HydrophobicContact CD1-CG2 3.96Å; L830-I871 HydrophobicContact CD2-CD1 3.68Å; L830-I871 HydrophobicContact CD2-CG1 4.3Å; L830-M875 HydrophobicContact CD1-CE 3.55Å; L830-Y886 HydrophobicContact CB-CE2 4.25Å; L830-Y886 HydrophobicContact CD1-CD2 4.09Å; L830-Y886 HydrophobicContact CD1-CE2 4.09Å
831Y80.1Confident77.5Confident50 Ų5045.4 Ų45.420%0.19620%0.204CC..Hα-helixtrans-59.4-50.3174.2176.9-108.2000112.9L827 R828 I829 W833 E834 Q835 L889 I893 W895L827-Y831 PolarHBondContact O-N 2.95Å; R828-Y831 WeakPolarHBondContact O-CB 3.44Å; R828-Y831 PolarHBondContact O-N 3.48Å; I829-Y831 VanDerWaalsContact C-N 3.3Å; I829-Y831 PolarHBondContact O-N 2.9Å; Y831-W833 VanDerWaalsContact C-N 3.3Å; Y831-W833 PolarHBondContact O-N 3.37Å; Y831-E834 PolarHBondContact O-N 2.95Å; Y831-Q835 VanDerWaalsContact CZ-NE2 3.27Å; Y831-Q835 PolarHBondContact O-N 3.29Å; Y831-Q835 PolarHBondContact OH-NE2 3.02Å; Y831-L889 HydrophobicContact CD2-CD1 3.98Å; Y831-L889 HydrophobicContact CD2-CD2 4.1Å; Y831-L889 HydrophobicContact CD2-CG 4.07Å; Y831-L889 HydrophobicContact CG-CD1 4.4Å; Y831-I893 HydrophobicContact CD2-CD1 4.33Å; Y831-I893 HydrophobicContact CE2-CD1 3.91Å; Y831-I893 HydrophobicContact CE2-CG2 4.4Å; Y831-W895 HydrophobicContact CD2-CH2 4.32Å
832Y79.3Confident77.8Confident71 Ų7143.6 Ų43.628%0.27820%0.196SC..Hα-helixtrans-66.4-32.2177.7-78.4-81.9000112.1I799 R828 I829 Q835 K836I799-Y832 HydrophobicContact CD1-CD2 4.29Å; I799-Y832 HydrophobicContact CD1-CE2 4.42Å; I799-Y832 HydrophobicContact CG1-CD2 4.21Å; I799-Y832 HydrophobicContact CG2-CD1 4.14Å; I799-Y832 HydrophobicContact CG2-CD2 3.65Å; I799-Y832 HydrophobicContact CG2-CE1 4.45Å; I799-Y832 HydrophobicContact CG2-CE2 4.05Å; I799-Y832 HydrophobicContact CG2-CG 3.72Å; R828-Y832 HydrophobicContact CG-CD2 3.99Å; R828-Y832 HydrophobicContact CG-CE2 3.72Å; R828-Y832 VanDerWaalsContact O-CD2 3.26Å; R828-Y832 WeakPolarHBondContact O-CD2 3.47Å; R828-Y832 PolarHBondContact O-N 3.06Å; I829-Y832 PolarHBondContact O-N 3.05Å; Y832-Q835 PolarHBondContact O-N 3.16Å; Y832-K836 WeakPolarHBondContact O-CG 3.22Å; Y832-K836 PolarHBondContact O-N 3.12Å
833W87.6Confident77.7Confident0 Ų044 Ų440%021%0.206CC..Hα-helixtrans-68.2-42.4175.7-72.413000112.5F798 L802 D803 L807 L810 I829 L830 Y831 Q835 K836 L837 Y867F798-W833 HydrophobicContact CD1-CZ2 4.13Å; F798-W833 PolarHBondContact O-NE1 3.2Å; L802-W833 HydrophobicContact CB-CZ2 3.8Å; L802-W833 PolarHBondContact O-NE1 3.33Å; D803-W833 VanDerWaalsContact O-CH2 3.31Å; D803-W833 WeakPolarHBondContact O-CH2 3.35Å; D803-W833 WeakPolarHBondContact O-CZ2 3.3Å; D803-W833 WeakPolarHBondContact O-CZ3 3.27Å; L807-W833 HydrophobicContact CB-CZ3 4.38Å; L807-W833 HydrophobicContact CD1-CZ3 4.16Å; L810-W833 HydrophobicContact CB-CH2 3.66Å; L810-W833 HydrophobicContact CB-CZ2 4.48Å; L810-W833 HydrophobicContact CB-CZ3 4.17Å; L810-W833 HydrophobicContact CD2-CE3 4.3Å; L810-W833 HydrophobicContact CD2-CH2 3.82Å; L810-W833 HydrophobicContact CD2-CZ2 4.43Å; L810-W833 HydrophobicContact CD2-CZ3 3.73Å; L810-W833 HydrophobicContact CG-CH2 4.32Å; I829-W833 HydrophobicContact CG2-CD2 4.09Å; I829-W833 HydrophobicContact CG2-CG 4.43Å; I829-W833 HydrophobicContact CG2-CZ2 4.03Å; I829-W833 PolarHBondContact O-N 3.4Å; L830-W833 HydrophobicContact CD2-CE3 4.46Å; L830-W833 PolarHBondContact O-N 3.38Å; Y831-W833 VanDerWaalsContact C-N 3.3Å; Y831-W833 PolarHBondContact O-N 3.37Å; W833-Q835 VanDerWaalsContact C-N 3.32Å; W833-Q835 PolarHBondContact O-N 2.95Å; W833-K836 PolarHBondContact O-N 3.26Å; W833-L837 WeakPolarHBondContact O-CG 3.5Å; W833-L837 PolarHBondContact O-N 3.03Å; W833-Y867 AromaticContact CE3-CE2 3.92Å; W833-Y867 HydrophobicContact CE3-CE2 3.92Å; W833-Y867 HydrophobicContact CZ3-CE2 4.34Å
834E82.5Confident77.5Confident2 Ų248.7 Ų48.71%0.00923%0.227CC..Hα-helixtrans-65.2-33.6172.7-73.1-77.4-168.600112.4L830 Y831 L837 T838 R868 Y886 W895L830-E834 WeakPolarHBondContact O-CG 3.1Å; L830-E834 PolarHBondContact O-N 3.09Å; Y831-E834 PolarHBondContact O-N 2.95Å; E834-L837 PolarHBondContact O-N 3.36Å; E834-T838 PolarHBondContact O-N 3.02Å; E834-T838 PolarHBondContact O-OG1 2.77Å; E834-R868 IonicContact OE1-CZ 2.66Å; E834-R868 IonicContact OE1-NE 3.46Å; E834-R868 PolarHBondContact OE1-NE 3.17Å; E834-R868 IonicContact OE1-NH2 3.59Å; E834-R868 IonicContact OE2-CZ 3.39Å; E834-R868 IonicContact OE2-NE 3.54Å; E834-R868 IonicContact OE2-NH2 2.72Å; E834-R868 PolarHBondContact OE2-NH2 3.36Å; E834-Y886 PolarHBondContact OE1-OH 3.02Å; E834-W895 HydrophobicContact CB-CH2 3.37Å; E834-W895 HydrophobicContact CB-CZ2 4.25Å; E834-W895 HydrophobicContact CB-CZ3 3.6Å; E834-W895 HydrophobicContact CG-CH2 4.33Å
835Q77.8Confident77.2Confident66 Ų6644.6 Ų44.631%0.30821%0.206SC..Hα-helixtrans-63.5-47.2170.1-74.8-164.1-12.300111.4Y831 Y832 W833 L837 T838 M839 W895Y831-Q835 VanDerWaalsContact CZ-NE2 3.27Å; Y831-Q835 PolarHBondContact O-N 3.29Å; Y831-Q835 PolarHBondContact OH-NE2 3.02Å; Y832-Q835 PolarHBondContact O-N 3.16Å; W833-Q835 VanDerWaalsContact C-N 3.32Å; W833-Q835 PolarHBondContact O-N 2.95Å; Q835-L837 VanDerWaalsContact C-N 3.34Å; Q835-L837 PolarHBondContact O-N 3.23Å; Q835-T838 PolarHBondContact O-N 3.42Å; Q835-T838 VanDerWaalsContact O-N 3.14Å; Q835-M839 WeakPolarHBondContact O-CG 3.37Å; Q835-M839 PolarHBondContact O-N 3.25Å; Q835-W895 HydrophobicContact CB-CZ3 4.39Å; Q835-W895 HydrophobicContact CG-CE3 4.06Å; Q835-W895 HydrophobicContact CG-CZ3 3.7Å
836K81.8Confident76.8Confident69 Ų6947.6 Ų47.630%0.322%0.219SC..Hα-helixtrans-58.2-43.8176.1-73.3179.6-170.7-178.70111.6I799 H800 L802 D803 Y832 W833 T838 M839 K840I799-K836 WeakPolarHBondContact O-CE 3.45Å; I799-K836 PolarHBondContact O-NZ 2.6Å; H800-K836 PolarHBondContact O-NZ 2.78Å; L802-K836 PolarHBondContact O-NZ 2.9Å; D803-K836 HydrophobicContact CB-CD 4.31Å; Y832-K836 WeakPolarHBondContact O-CG 3.22Å; Y832-K836 PolarHBondContact O-N 3.12Å; W833-K836 PolarHBondContact O-N 3.26Å; K836-T838 PolarHBondContact O-N 2.99Å; K836-M839 PolarHBondContact O-N 3.43Å; K836-K840 WeakPolarHBondContact O-CB 3.38Å; K836-K840 PolarHBondContact O-N 3.25Å
837L82.4Confident75.8Confident6 Ų652.8 Ų52.83%0.03125%0.251CS..Hα-helixtrans-59.1-44.1173.8-73176.9000112.3A804 W833 E834 Q835 K840 Y841 F860 F863 Y867A804-L837 HydrophobicContact CB-CD1 3.86Å; A804-L837 HydrophobicContact CB-CD2 3.95Å; A804-L837 HydrophobicContact CB-CG 3.99Å; W833-L837 WeakPolarHBondContact O-CG 3.5Å; W833-L837 PolarHBondContact O-N 3.03Å; E834-L837 PolarHBondContact O-N 3.36Å; Q835-L837 VanDerWaalsContact C-N 3.34Å; Q835-L837 PolarHBondContact O-N 3.23Å; L837-K840 PolarHBondContact O-N 3.08Å; L837-Y841 PolarHBondContact O-N 2.97Å; L837-F860 HydrophobicContact CD2-CE2 4.29Å; L837-F860 HydrophobicContact CD2-CZ 4.17Å; L837-F863 HydrophobicContact CD2-CE1 4.13Å; L837-Y867 HydrophobicContact CD1-CD1 3.94Å; L837-Y867 HydrophobicContact CD1-CE1 3.79Å
838T75.5Confident74.6Confident3 Ų353.8 Ų53.82%0.01826%0.26CS..Hα-helixtrans-64.3-42179-53.80000111.6E834 Q835 K836 Y841 R842 W895 P1107 Y1109E834-T838 PolarHBondContact O-N 3.02Å; E834-T838 PolarHBondContact O-OG1 2.77Å; Q835-T838 PolarHBondContact O-N 3.42Å; Q835-T838 VanDerWaalsContact O-N 3.14Å; K836-T838 PolarHBondContact O-N 2.99Å; T838-Y841 PolarHBondContact O-N 3.41Å; T838-R842 PolarHBondContact O-N 3.31Å; T838-W895 HydrophobicContact CG2-CB 4.11Å; T838-P1107 HydrophobicContact CG2-CG 4.14Å; T838-Y1109 WeakPolarHBondContact CA-OH 3.49Å; T838-Y1109 PolarHBondContact N-OH 2.94Å; T838-Y1109 PolarHBondContact OG1-OH 3.48Å
839M74.9Confident73.5Confident105 Ų10552 Ų5252%0.51727%0.265SS..Hα-helixtrans-67.9-42.5177.3-64.8-52.8-174.500111.8Q835 K836 Y841 R842 S843Q835-M839 WeakPolarHBondContact O-CG 3.37Å; Q835-M839 PolarHBondContact O-N 3.25Å; K836-M839 PolarHBondContact O-N 3.43Å; M839-Y841 VanDerWaalsContact C-N 3.3Å; M839-Y841 PolarHBondContact O-N 3.12Å; M839-R842 WeakPolarHBondContact O-CA 3.38Å; M839-R842 WeakPolarHBondContact O-CB 3.42Å; M839-R842 PolarHBondContact O-N 2.83Å; M839-S843 PolarHBondContact O-N 2.87Å; M839-S843 PolarHBondContact O-OG 3.17Å; M839-S843 VanDerWaalsContact O-OG 3.13Å
840K78.5Confident71.9Confident82 Ų8256.2 Ų56.236%0.35730%0.3SS..Hα-helixtrans-57.9-41.4175.3-168.5170.1-171.9171.60112.3K836 L837 R842 S843 E844 F860K836-K840 WeakPolarHBondContact O-CB 3.38Å; K836-K840 PolarHBondContact O-N 3.25Å; L837-K840 PolarHBondContact O-N 3.08Å; K840-R842 VanDerWaalsContact C-N 3.34Å; K840-R842 PolarHBondContact O-N 3.05Å; K840-S843 PolarHBondContact O-N 3.24Å; K840-S843 PolarHBondContact O-OG 3.48Å; K840-E844 WeakPolarHBondContact CE-OE1 3.05Å; K840-E844 WeakPolarHBondContact CE-OE2 3.5Å; K840-E844 HydrophobicContact CG-CG 4.28Å; K840-E844 WeakPolarHBondContact CG-OE2 3.49Å; K840-E844 WeakPolarHBondContact O-CB 3.5Å; K840-E844 PolarHBondContact O-N 2.72Å; K840-F860 HydrophobicContact CD-CE2 4.37Å
841Y72.7Confident70Confident14 Ų1462.8 Ų62.86%0.05533%0.334CS..Iπ-helixtrans-63-38173.7-177.9-93.1000112.7L837 T838 M839 I845 L846 F860 P1107 S1108 Y1109L837-Y841 PolarHBondContact O-N 2.97Å; T838-Y841 PolarHBondContact O-N 3.41Å; M839-Y841 VanDerWaalsContact C-N 3.3Å; M839-Y841 PolarHBondContact O-N 3.12Å; Y841-I845 HydrophobicContact CD2-CB 4.01Å; Y841-I845 HydrophobicContact CD2-CD1 3.99Å; Y841-I845 HydrophobicContact CD2-CG2 3.98Å; Y841-I845 HydrophobicContact CE2-CB 4.24Å; Y841-I845 HydrophobicContact CE2-CG2 3.71Å; Y841-I845 PolarHBondContact O-N 3.15Å; Y841-L846 HydrophobicContact CE1-CD1 4.42Å; Y841-L846 PolarHBondContact O-N 3.34Å; Y841-F860 AromaticContact CD2-CD1 3.96Å; Y841-F860 HydrophobicContact CD2-CD1 3.96Å; Y841-F860 AromaticContact CD2-CE1 3.82Å; Y841-F860 HydrophobicContact CD2-CE1 3.82Å; Y841-F860 HydrophobicContact CG-CE1 4.31Å; Y841-P1107 HydrophobicContact CD1-CB 4.19Å; Y841-P1107 HydrophobicContact CE1-CB 4.34Å; Y841-S1108 PolarHBondContact OH-OG 3Å; Y841-Y1109 AromaticContact CD1-CD1 3.82Å; Y841-Y1109 HydrophobicContact CD1-CD1 3.82Å; Y841-Y1109 HydrophobicContact CD1-CE1 4.07Å; Y841-Y1109 AromaticContact CD2-CD1 3.35Å; Y841-Y1109 HydrophobicContact CD2-CD1 3.35Å; Y841-Y1109 HydrophobicContact CD2-CE1 4.1Å; Y841-Y1109 AromaticContact CD2-CG 3.93Å; Y841-Y1109 HydrophobicContact CD2-CG 3.93Å; Y841-Y1109 HydrophobicContact CE1-CD1 4.29Å; Y841-Y1109 AromaticContact CE2-CD1 3.86Å; Y841-Y1109 HydrophobicContact CE2-CD1 3.86Å; Y841-Y1109 HydrophobicContact CE2-CG 4.32Å; Y841-Y1109 AromaticContact CG-CD1 3.33Å; Y841-Y1109 HydrophobicContact CG-CD1 3.33Å; Y841-Y1109 AromaticContact CG-CE1 3.64Å; Y841-Y1109 HydrophobicContact CG-CE1 3.64Å; Y841-Y1109 HydrophobicContact CG-CG 4.32Å
842R73Confident68.5Low75 Ų7568.2 Ų68.228%0.28337%0.366SS..Iπ-helixtrans-70.4-42.5176.5-72.3180177.9123.43113T838 M839 K840 L846 W895 N896T838-R842 PolarHBondContact O-N 3.31Å; M839-R842 WeakPolarHBondContact O-CA 3.38Å; M839-R842 WeakPolarHBondContact O-CB 3.42Å; M839-R842 PolarHBondContact O-N 2.83Å; K840-R842 VanDerWaalsContact C-N 3.34Å; K840-R842 PolarHBondContact O-N 3.05Å; R842-L846 WeakPolarHBondContact O-CB 3.22Å; R842-W895 PolarHBondContact NH1-O 3.46Å; R842-W895 PolarHBondContact NH2-O 3.4Å; R842-N896 PolarHBondContact NH2-OD1 3.43Å
843S70Confident67.5Low74 Ų7468.6 Ų68.652%0.51737%0.373SS..Iπ-helixtrans-80.9-49.6-174.855.70000113.3M839 K840 V847M839-S843 PolarHBondContact O-N 2.87Å; M839-S843 PolarHBondContact O-OG 3.17Å; M839-S843 VanDerWaalsContact O-OG 3.13Å; K840-S843 PolarHBondContact O-N 3.24Å; K840-S843 PolarHBondContact O-OG 3.48Å; S843-V847 WeakPolarHBondContact O-CB 3.33Å; S843-V847 VanDerWaalsContact O-CG2 3.29Å; S843-V847 WeakPolarHBondContact O-CG2 3.38Å
844E66.4Low66.4Low108 Ų10876 Ų7651%0.50541%0.406SS..Iπ-helixtrans-87.7-46.6-173.1-64175.3-167.800112K840 S848K840-E844 WeakPolarHBondContact CE-OE1 3.05Å; K840-E844 WeakPolarHBondContact CE-OE2 3.5Å; K840-E844 HydrophobicContact CG-CG 4.28Å; K840-E844 WeakPolarHBondContact CG-OE2 3.49Å; K840-E844 WeakPolarHBondContact O-CB 3.5Å; K840-E844 PolarHBondContact O-N 2.72Å; E844-S848 WeakPolarHBondContact O-CB 3.48Å; E844-S848 PolarHBondContact O-OG 3.32Å
845I63.7Low65.7Low16 Ų1681.3 Ų81.38%0.08243%0.434CS..Iπ-helixtrans-91.2-43.8-165.6-61.3173.2000111.6Y841 V847 S848 T849 K857 F860Y841-I845 HydrophobicContact CD2-CB 4.01Å; Y841-I845 HydrophobicContact CD2-CD1 3.99Å; Y841-I845 HydrophobicContact CD2-CG2 3.98Å; Y841-I845 HydrophobicContact CE2-CB 4.24Å; Y841-I845 HydrophobicContact CE2-CG2 3.71Å; Y841-I845 PolarHBondContact O-N 3.15Å; I845-V847 PolarHBondContact O-N 3.14Å; I845-S848 WeakPolarHBondContact CA-OG 3.36Å; I845-S848 PolarHBondContact O-N 3.32Å; I845-S848 PolarHBondContact O-OG 2.83Å; I845-S848 VanDerWaalsContact O-OG 3.11Å; I845-T849 WeakPolarHBondContact O-CG2 3.47Å; I845-T849 PolarHBondContact O-N 3.43Å; I845-K857 HydrophobicContact CG2-CB 4.36Å; I845-K857 HydrophobicContact CG2-CG 4.31Å; I845-F860 HydrophobicContact CD1-CB 3.56Å; I845-F860 HydrophobicContact CD1-CD1 3.55Å; I845-F860 HydrophobicContact CD1-CD2 3.6Å; I845-F860 HydrophobicContact CD1-CE1 4.08Å; I845-F860 HydrophobicContact CD1-CE2 4.14Å; I845-F860 HydrophobicContact CD1-CG 3.27Å; I845-F860 HydrophobicContact CD1-CZ 4.35Å
846L65.1Low65.2Low93 Ų9383.7 Ų83.749%0.48744%0.443SS..Hα-helixtrans-64.2-41.6179.6-161.471.3000111.6Y841 R842 S848 T849Y841-L846 HydrophobicContact CE1-CD1 4.42Å; Y841-L846 PolarHBondContact O-N 3.34Å; R842-L846 WeakPolarHBondContact O-CB 3.22Å; L846-S848 PolarHBondContact O-N 2.84Å; L846-T849 PolarHBondContact O-N 3.24Å; L846-T849 PolarHBondContact O-OG1 3.4Å
847V59.2Low64.7Low109 Ų10983.4 Ų83.466%0.66144%0.442SS*.Hα-helixtrans-67.8-33.3179.5-178.30000112.3S843 I845 T849S843-V847 WeakPolarHBondContact O-CB 3.33Å; S843-V847 VanDerWaalsContact O-CG2 3.29Å; S843-V847 WeakPolarHBondContact O-CG2 3.38Å; I845-V847 PolarHBondContact O-N 3.14Å; V847-T849 VanDerWaalsContact C-N 3.3Å; V847-T849 PolarHBondContact O-N 2.97Å
848S54Low64.4Low49 Ų4987.4 Ų87.434%0.34346%0.463SS..Hα-helixtrans-78.8-5.8179.151.60000114.7E844 I845 L846 A850 L851E844-S848 WeakPolarHBondContact O-CB 3.48Å; E844-S848 PolarHBondContact O-OG 3.32Å; I845-S848 WeakPolarHBondContact CA-OG 3.36Å; I845-S848 PolarHBondContact O-N 3.32Å; I845-S848 PolarHBondContact O-OG 2.83Å; I845-S848 VanDerWaalsContact O-OG 3.11Å; L846-S848 PolarHBondContact O-N 2.84Å; S848-A850 PolarHBondContact O-N 3.48Å; S848-L851 PolarHBondContact O-N 2.93Å
849T50.9Low64.6Low100 Ų10093.6 Ų93.661%0.61349%0.492SS*.THydrogen-bonded Turntrans-62.8-7.2177.759.70000115.4I845 L846 V847 L851I845-T849 WeakPolarHBondContact O-CG2 3.47Å; I845-T849 PolarHBondContact O-N 3.43Å; L846-T849 PolarHBondContact O-N 3.24Å; L846-T849 PolarHBondContact O-OG1 3.4Å; V847-T849 VanDerWaalsContact C-N 3.3Å; V847-T849 PolarHBondContact O-N 2.97Å; T849-L851 PolarHBondContact O-N 3.48Å
850A49.8Very low64.9Low89 Ų8989.7 Ų89.774%0.73647%0.472SS*.THydrogen-bonded Turntrans-69.8-14.6169.400000114.3S848S848-A850 PolarHBondContact O-N 3.48Å
851L43.9Very low64.9Low138 Ų13887.8 Ų87.872%0.72347%0.468SS*.SBendtrans-13768.7-172.9-68.5175.1000113.4S848 T849 D853S848-L851 PolarHBondContact O-N 2.93Å; T849-L851 PolarHBondContact O-N 3.48Å; L851-D853 PolarHBondContact O-N 3.23Å
852N48.9Very low65.4Low163 Ų16389.6 Ų89.687%0.87249%0.486SS*.  trans49.1-5.2156.9-79.8-9.9000122.3K854N852-K854 VanDerWaalsContact C-N 3.29Å; N852-K854 PolarHBondContact O-N 3.45Å
853D58.4Low65.9Low79 Ų7990.1 Ų90.142%0.42249%0.49SS..  trans-72.869.8-176.6-77.7-26.1000113.2L851 D855 K856L851-D853 PolarHBondContact O-N 3.23Å; D853-D855 VanDerWaalsContact C-N 3.27Å; D853-D855 PolarHBondContact O-N 2.94Å; D853-K856 HydrophobicContact CB-CB 4.32Å; D853-K856 HydrophobicContact CB-CD 3.94Å; D853-K856 HydrophobicContact CB-CG 4.18Å; D853-K856 WeakPolarHBondContact OD2-CD 3.19Å; D853-K856 VanDerWaalsContact OD2-CE 3.28Å; D853-K856 WeakPolarHBondContact OD2-CE 3.31Å; D853-K856 IonicContact OD2-NZ 3.53Å; D853-K856 PolarHBondContact OD2-NZ 2.74Å
854K64.3Low66.6Low157 Ų15786.6 Ų86.668%0.68347%0.465SS*.Hα-helixtrans-55.9-45170.3-72.6-175.9178.3177.50111.3N852 K856 K857 D858N852-K854 VanDerWaalsContact C-N 3.29Å; N852-K854 PolarHBondContact O-N 3.45Å; K854-K856 VanDerWaalsContact C-N 3.25Å; K854-K856 PolarHBondContact O-N 3.08Å; K854-K856 VanDerWaalsContact O-N 3.17Å; K854-K857 WeakPolarHBondContact O-CA 3.31Å; K854-K857 WeakPolarHBondContact O-CB 3.41Å; K854-K857 PolarHBondContact O-N 2.9Å; K854-D858 PolarHBondContact O-N 3.17Å
855D67.5Low67.3Low113 Ų11384.2 Ų84.260%0.60446%0.461SS*.Hα-helixtrans-55-38.9-174.4-54.6-1.8000112.6D853 D858 Q859D853-D855 VanDerWaalsContact C-N 3.27Å; D853-D855 PolarHBondContact O-N 2.94Å; D855-D858 PolarHBondContact O-N 3.43Å; D855-Q859 VanDerWaalsContact O-CB 3.3Å; D855-Q859 WeakPolarHBondContact O-CB 3.49Å; D855-Q859 WeakPolarHBondContact O-CG 3.46Å; D855-Q859 PolarHBondContact O-N 2.93Å
856K68.7Low68.3Low115 Ų11587.6 Ų87.650%0.548%0.479SS..Hα-helixtrans-67.2-39.6176.7-70.3179.7-176159.40112.3D853 K854 F860D853-K856 HydrophobicContact CB-CB 4.32Å; D853-K856 HydrophobicContact CB-CD 3.94Å; D853-K856 HydrophobicContact CB-CG 4.18Å; D853-K856 WeakPolarHBondContact OD2-CD 3.19Å; D853-K856 VanDerWaalsContact OD2-CE 3.28Å; D853-K856 WeakPolarHBondContact OD2-CE 3.31Å; D853-K856 IonicContact OD2-NZ 3.53Å; D853-K856 PolarHBondContact OD2-NZ 2.74Å; K854-K856 VanDerWaalsContact C-N 3.25Å; K854-K856 PolarHBondContact O-N 3.08Å; K854-K856 VanDerWaalsContact O-N 3.17Å; K856-F860 WeakPolarHBondContact O-CB 3.19Å; K856-F860 PolarHBondContact O-N 2.99Å; K856-F860 VanDerWaalsContact O-N 3.11Å
857K71.6Confident69.4Low64 Ų6483.4 Ų83.428%0.27846%0.457SS..Hα-helixtrans-64.3-47.3175-173.6-174.8-179.9-175.90110I845 K854 F860 T861 S1108I845-K857 HydrophobicContact CG2-CB 4.36Å; I845-K857 HydrophobicContact CG2-CG 4.31Å; K854-K857 WeakPolarHBondContact O-CA 3.31Å; K854-K857 WeakPolarHBondContact O-CB 3.41Å; K854-K857 PolarHBondContact O-N 2.9Å; K857-F860 WeakPolarHBondContact O-CB 3.35Å; K857-F860 PolarHBondContact O-N 3.27Å; K857-F860 VanDerWaalsContact O-N 3.16Å; K857-T861 VanDerWaalsContact O-CG2 3.22Å; K857-T861 WeakPolarHBondContact O-CG2 3.49Å; K857-T861 PolarHBondContact O-N 3.25Å; K857-S1108 WeakPolarHBondContact CE-OG 3.45Å; K857-S1108 PolarHBondContact NZ-OG 3.34Å
858D75.9Confident70.8Confident89 Ų8978.9 Ų78.948%0.47643%0.428SS..Hα-helixtrans-68.3-40.3-175.3-64.8-17.5000111.3K854 D855 F860 T861 A862K854-D858 PolarHBondContact O-N 3.17Å; D855-D858 PolarHBondContact O-N 3.43Å; D858-F860 VanDerWaalsContact C-N 3.33Å; D858-F860 PolarHBondContact O-N 2.83Å; D858-T861 PolarHBondContact O-N 2.78Å; D858-T861 PolarHBondContact O-OG1 3.45Å; D858-A862 PolarHBondContact O-N 3.17Å
859Q79.4Confident72.3Confident134 Ų13478.2 Ų78.263%0.62642%0.423SS*.Hα-helixtrans-57.2-42.8169.2-74.3167.824.600112.3D855 A862 F863D855-Q859 VanDerWaalsContact O-CB 3.3Å; D855-Q859 WeakPolarHBondContact O-CB 3.49Å; D855-Q859 WeakPolarHBondContact O-CG 3.46Å; D855-Q859 PolarHBondContact O-N 2.93Å; Q859-A862 PolarHBondContact O-N 3.4Å; Q859-F863 WeakPolarHBondContact O-CB 3.4Å; Q859-F863 PolarHBondContact O-N 2.73Å
860F80.8Confident74Confident22 Ų2276.9 Ų76.910%0.09641%0.41CS..Hα-helixtrans-67.4-37.3177.3-174-96.9000112.6L837 K840 Y841 I845 K856 K857 D858 F863 C864 Y1109L837-F860 HydrophobicContact CD2-CE2 4.29Å; L837-F860 HydrophobicContact CD2-CZ 4.17Å; K840-F860 HydrophobicContact CD-CE2 4.37Å; Y841-F860 AromaticContact CD2-CD1 3.96Å; Y841-F860 HydrophobicContact CD2-CD1 3.96Å; Y841-F860 AromaticContact CD2-CE1 3.82Å; Y841-F860 HydrophobicContact CD2-CE1 3.82Å; Y841-F860 HydrophobicContact CG-CE1 4.31Å; I845-F860 HydrophobicContact CD1-CB 3.56Å; I845-F860 HydrophobicContact CD1-CD1 3.55Å; I845-F860 HydrophobicContact CD1-CD2 3.6Å; I845-F860 HydrophobicContact CD1-CE1 4.08Å; I845-F860 HydrophobicContact CD1-CE2 4.14Å; I845-F860 HydrophobicContact CD1-CG 3.27Å; I845-F860 HydrophobicContact CD1-CZ 4.35Å; K856-F860 WeakPolarHBondContact O-CB 3.19Å; K856-F860 PolarHBondContact O-N 2.99Å; K856-F860 VanDerWaalsContact O-N 3.11Å; K857-F860 WeakPolarHBondContact O-CB 3.35Å; K857-F860 PolarHBondContact O-N 3.27Å; K857-F860 VanDerWaalsContact O-N 3.16Å; D858-F860 VanDerWaalsContact C-N 3.33Å; D858-F860 PolarHBondContact O-N 2.83Å; F860-F863 PolarHBondContact O-N 3.1Å; F860-C864 PolarHBondContact O-N 3.42Å; F860-C864 PolarHBondContact O-SG 2.93Å; F860-Y1109 HydrophobicContact CD1-CD2 4.12Å; F860-Y1109 HydrophobicContact CD1-CG 4.01Å; F860-Y1109 AromaticContact CE1-CD1 3.99Å; F860-Y1109 HydrophobicContact CE1-CD1 3.99Å; F860-Y1109 AromaticContact CE1-CD2 3.62Å; F860-Y1109 HydrophobicContact CE1-CD2 3.62Å; F860-Y1109 HydrophobicContact CE1-CE1 4.25Å; F860-Y1109 AromaticContact CE1-CE2 3.91Å; F860-Y1109 HydrophobicContact CE1-CE2 3.91Å; F860-Y1109 AromaticContact CE1-CG 3.67Å; F860-Y1109 HydrophobicContact CE1-CG 3.67Å
861T79.7Confident75.8Confident42 Ų4272.6 Ų72.626%0.25838%0.375SS..Hα-helixtrans-65-41.9174.977.80000111.5K857 D858 C864 S865K857-T861 VanDerWaalsContact O-CG2 3.22Å; K857-T861 WeakPolarHBondContact O-CG2 3.49Å; K857-T861 PolarHBondContact O-N 3.25Å; D858-T861 PolarHBondContact O-N 2.78Å; D858-T861 PolarHBondContact O-OG1 3.45Å; T861-C864 PolarHBondContact O-N 3.36Å; T861-S865 PolarHBondContact O-N 3.14Å
862A81.7Confident77.9Confident53 Ų5366.3 Ų66.344%0.43834%0.342SS..Hα-helixtrans-65.5-40.4176.900000112.7D858 Q859 S865 N866D858-A862 PolarHBondContact O-N 3.17Å; Q859-A862 PolarHBondContact O-N 3.4Å; A862-S865 PolarHBondContact O-N 2.87Å; A862-S865 PolarHBondContact O-OG 3Å; A862-N866 WeakPolarHBondContact O-CB 3.43Å; A862-N866 PolarHBondContact O-N 3.38Å
863F84.3Confident79.7Confident85 Ų8563.6 Ų63.637%0.37332%0.324SS..Hα-helixtrans-59-48.6171.9175-98000111.4A804 L837 Q859 F860 S865 N866 Y867A804-F863 HydrophobicContact CB-CE1 4.23Å; A804-F863 HydrophobicContact CB-CZ 4.37Å; L837-F863 HydrophobicContact CD2-CE1 4.13Å; Q859-F863 WeakPolarHBondContact O-CB 3.4Å; Q859-F863 PolarHBondContact O-N 2.73Å; F860-F863 PolarHBondContact O-N 3.1Å; F863-S865 PolarHBondContact O-N 2.99Å; F863-N866 PolarHBondContact O-N 3.03Å; F863-Y867 WeakPolarHBondContact O-CB 3.49Å; F863-Y867 PolarHBondContact O-N 3.07Å
864C83.7Confident81Confident0 Ų060.6 Ų60.60%031%0.307CS..Hα-helixtrans-66.7-35.4-178.9-67.10000113.4F860 T861 R868 Y1109F860-C864 PolarHBondContact O-N 3.42Å; F860-C864 PolarHBondContact O-SG 2.93Å; T861-C864 PolarHBondContact O-N 3.36Å; C864-R868 WeakPolarHBondContact O-CG 3.41Å; C864-R868 PolarHBondContact O-N 3.08Å; C864-Y1109 HydrophobicContact CB-CD2 3.92Å; C864-Y1109 HydrophobicContact CB-CE2 4.19Å
865S82.3Confident82Confident59 Ų5953.1 Ų53.141%0.41327%0.274SS..Hα-helixtrans-72.9-34.317771.60000112.3T861 A862 F863 S869T861-S865 PolarHBondContact O-N 3.14Å; A862-S865 PolarHBondContact O-N 2.87Å; A862-S865 PolarHBondContact O-OG 3Å; F863-S865 PolarHBondContact O-N 2.99Å; S865-S869 VanDerWaalsContact O-CB 3.31Å; S865-S869 WeakPolarHBondContact O-CB 3.49Å; S865-S869 PolarHBondContact O-N 2.59Å; S865-S869 VanDerWaalsContact O-N 3.07Å; S865-S869 PolarHBondContact O-OG 3.35Å
866N85.4Confident82.7Confident87 Ų8753.5 Ų53.547%0.46527%0.272SS..Hα-helixtrans-67.6-50.8173.9-166.81.7000111.2A862 F863 R868 S869 Q870A862-N866 WeakPolarHBondContact O-CB 3.43Å; A862-N866 PolarHBondContact O-N 3.38Å; F863-N866 PolarHBondContact O-N 3.03Å; N866-R868 PolarHBondContact O-N 3.36Å; N866-S869 WeakPolarHBondContact O-CA 3.42Å; N866-S869 WeakPolarHBondContact O-CB 3.35Å; N866-S869 PolarHBondContact O-N 2.88Å; N866-Q870 WeakPolarHBondContact O-CG 3.35Å; N866-Q870 PolarHBondContact O-N 3.24Å; N866-Q870 PolarHBondContact OD1-NE2 3.21Å
867Y88.1Confident83.5Confident5 Ų553.8 Ų53.82%0.0228%0.276CS..Hα-helixtrans-49.3-52.6174.4163.6-104.4000112.6A804 L807 W833 L837 F863 S869 Q870 I871A804-Y867 HydrophobicContact CB-CD1 4.37Å; A804-Y867 HydrophobicContact CB-CD2 3.67Å; A804-Y867 HydrophobicContact CB-CE1 4.2Å; A804-Y867 HydrophobicContact CB-CE2 3.46Å; A804-Y867 VanDerWaalsContact CB-CE2 3.46Å; A804-Y867 HydrophobicContact CB-CG 4.14Å; L807-Y867 HydrophobicContact CB-CD2 4.45Å; L807-Y867 HydrophobicContact CD1-CE2 4.41Å; L807-Y867 HydrophobicContact CD2-CD2 3.96Å; L807-Y867 HydrophobicContact CD2-CE2 4.42Å; W833-Y867 AromaticContact CE3-CE2 3.92Å; W833-Y867 HydrophobicContact CE3-CE2 3.92Å; W833-Y867 HydrophobicContact CZ3-CE2 4.34Å; L837-Y867 HydrophobicContact CD1-CD1 3.94Å; L837-Y867 HydrophobicContact CD1-CE1 3.79Å; F863-Y867 WeakPolarHBondContact O-CB 3.49Å; F863-Y867 PolarHBondContact O-N 3.07Å; Y867-S869 VanDerWaalsContact C-N 3.32Å; Y867-S869 PolarHBondContact O-N 2.92Å; Y867-Q870 PolarHBondContact O-N 2.97Å; Y867-I871 HydrophobicContact CD1-CD1 4.24Å; Y867-I871 HydrophobicContact CD2-CD1 3.91Å; Y867-I871 HydrophobicContact CE1-CD1 3.73Å; Y867-I871 HydrophobicContact CE2-CD1 3.34Å; Y867-I871 HydrophobicContact CE2-CG1 4.39Å; Y867-I871 HydrophobicContact CG-CD1 4.31Å; Y867-I871 PolarHBondContact O-N 3.24Å; Y867-I871 VanDerWaalsContact O-N 3.08Å; Y867-I871 WeakPolarHBondContact OH-CD1 3.36Å
868R87.2Confident83.9Confident14 Ų1456.2 Ų56.25%0.05328%0.284CS..Hα-helixtrans-66.2-32.6177.9-65.3-177.2-173.8119.8-1.4112.9E834 C864 N866 L872E834-R868 IonicContact OE1-CZ 2.66Å; E834-R868 IonicContact OE1-NE 3.46Å; E834-R868 PolarHBondContact OE1-NE 3.17Å; E834-R868 IonicContact OE1-NH2 3.59Å; E834-R868 IonicContact OE2-CZ 3.39Å; E834-R868 IonicContact OE2-NE 3.54Å; E834-R868 IonicContact OE2-NH2 2.72Å; E834-R868 PolarHBondContact OE2-NH2 3.36Å; C864-R868 WeakPolarHBondContact O-CG 3.41Å; C864-R868 PolarHBondContact O-N 3.08Å; N866-R868 PolarHBondContact O-N 3.36Å; R868-L872 WeakPolarHBondContact O-CB 3.42Å; R868-L872 WeakPolarHBondContact O-CD1 3.32Å; R868-L872 VanDerWaalsContact O-CG 3.24Å; R868-L872 WeakPolarHBondContact O-CG 3.48Å; R868-L872 PolarHBondContact O-N 2.86Å
869S86.2Confident84Confident35 Ų3552.1 Ų52.125%0.24526%0.262CS..Hα-helixtrans-69.7-39176.8-61.80000112.4S865 N866 Y867 L872 H873 R1118S865-S869 VanDerWaalsContact O-CB 3.31Å; S865-S869 WeakPolarHBondContact O-CB 3.49Å; S865-S869 PolarHBondContact O-N 2.59Å; S865-S869 VanDerWaalsContact O-N 3.07Å; S865-S869 PolarHBondContact O-OG 3.35Å; N866-S869 WeakPolarHBondContact O-CA 3.42Å; N866-S869 WeakPolarHBondContact O-CB 3.35Å; N866-S869 PolarHBondContact O-N 2.88Å; Y867-S869 VanDerWaalsContact C-N 3.32Å; Y867-S869 PolarHBondContact O-N 2.92Å; S869-L872 PolarHBondContact O-N 3.48Å; S869-H873 WeakPolarHBondContact O-CB 3.43Å; S869-H873 PolarHBondContact O-N 3.5Å; S869-R1118 PolarHBondContact OG-NH1 2.67Å; S869-R1118 PolarHBondContact OG-NH2 3.03Å
870Q87.4Confident84Confident71 Ų7149.4 Ų49.433%0.33226%0.258SS..Hα-helixtrans-66.1-44.8175.2-69.2175.629.200111.5L807 N866 Y867 L872 H873 Y874L807-Q870 HydrophobicContact CD2-CB 3.69Å; N866-Q870 WeakPolarHBondContact O-CG 3.35Å; N866-Q870 PolarHBondContact O-N 3.24Å; N866-Q870 PolarHBondContact OD1-NE2 3.21Å; Y867-Q870 PolarHBondContact O-N 2.97Å; Q870-L872 VanDerWaalsContact C-N 3.35Å; Q870-L872 PolarHBondContact O-N 3.37Å; Q870-H873 PolarHBondContact O-N 2.93Å; Q870-Y874 WeakPolarHBondContact O-CB 3.47Å; Q870-Y874 PolarHBondContact O-N 3.43Å
871I87.4Confident83.8Confident0 Ų051.8 Ų51.80%027%0.27CS..Hα-helixtrans-57.9-47.4173.9-73.5165000111.2L807 L830 Y867 Y874 M875 Y886L807-I871 HydrophobicContact CD1-CD1 4.22Å; L807-I871 HydrophobicContact CD1-CG1 3.74Å; L807-I871 HydrophobicContact CD2-CG1 3.97Å; L830-I871 HydrophobicContact CD1-CG2 3.96Å; L830-I871 HydrophobicContact CD2-CD1 3.68Å; L830-I871 HydrophobicContact CD2-CG1 4.3Å; Y867-I871 HydrophobicContact CD1-CD1 4.24Å; Y867-I871 HydrophobicContact CD2-CD1 3.91Å; Y867-I871 HydrophobicContact CE1-CD1 3.73Å; Y867-I871 HydrophobicContact CE2-CD1 3.34Å; Y867-I871 HydrophobicContact CE2-CG1 4.39Å; Y867-I871 HydrophobicContact CG-CD1 4.31Å; Y867-I871 PolarHBondContact O-N 3.24Å; Y867-I871 VanDerWaalsContact O-N 3.08Å; Y867-I871 WeakPolarHBondContact OH-CD1 3.36Å; I871-Y874 PolarHBondContact O-N 2.96Å; I871-M875 HydrophobicContact CG2-CE 3.4Å; I871-M875 HydrophobicContact CG2-CG 4.37Å; I871-M875 HydrophobicContact CG2-SD 4.08Å; I871-M875 WeakPolarHBondContact O-CG 3.4Å; I871-M875 PolarHBondContact O-N 3.04Å; I871-Y886 HydrophobicContact CB-CE1 4.47Å; I871-Y886 HydrophobicContact CG2-CD1 4.21Å; I871-Y886 HydrophobicContact CG2-CE1 3.68Å; I871-Y886 HydrophobicContact CG2-CE2 4.37Å
872L86.2Confident83.8Confident6 Ų649.9 Ų49.93%0.03126%0.258CS..Hα-helixtrans-65.4-42-179.4-73.1169.1000112.1R868 S869 Q870 Y874 M875 E876 I883 Y886 L887 R1118R868-L872 WeakPolarHBondContact O-CB 3.42Å; R868-L872 WeakPolarHBondContact O-CD1 3.32Å; R868-L872 VanDerWaalsContact O-CG 3.24Å; R868-L872 WeakPolarHBondContact O-CG 3.48Å; R868-L872 PolarHBondContact O-N 2.86Å; S869-L872 PolarHBondContact O-N 3.48Å; Q870-L872 VanDerWaalsContact C-N 3.35Å; Q870-L872 PolarHBondContact O-N 3.37Å; L872-Y874 VanDerWaalsContact C-N 3.33Å; L872-Y874 PolarHBondContact O-N 3.22Å; L872-M875 HydrophobicContact CD2-SD 4.41Å; L872-M875 PolarHBondContact O-N 2.95Å; L872-E876 WeakPolarHBondContact O-CB 3.28Å; L872-E876 VanDerWaalsContact O-CG 3.26Å; L872-E876 WeakPolarHBondContact O-CG 3.42Å; L872-E876 PolarHBondContact O-N 3.35Å; L872-I883 HydrophobicContact CD2-CG2 3.97Å; L872-Y886 HydrophobicContact CD2-CD1 3.82Å; L872-Y886 HydrophobicContact CD2-CE1 4.06Å; L872-Y886 HydrophobicContact CG-CD1 4.4Å; L872-Y886 HydrophobicContact CG-CE1 4.12Å; L872-L887 HydrophobicContact CD1-CD2 4.28Å; L872-L887 HydrophobicContact CD2-CD1 4.36Å; L872-L887 HydrophobicContact CD2-CD2 4.26Å; L872-L887 HydrophobicContact CD2-CG 4.26Å; L872-R1118 VanDerWaalsContact CD1-CD 3.44Å
873H87.3Confident83.9Confident105 Ų10548.3 Ų48.349%0.48624%0.242SC..Hα-helixtrans-60.2-42.9173.8-176.6-80.7000111.9S869 Q870 E876 Q877S869-H873 WeakPolarHBondContact O-CB 3.43Å; S869-H873 PolarHBondContact O-N 3.5Å; Q870-H873 PolarHBondContact O-N 2.93Å; H873-E876 PolarHBondContact O-N 2.95Å; H873-Q877 PolarHBondContact CE1-OE1 3.48Å; H873-Q877 VanDerWaalsContact CE1-OE1 3.24Å; H873-Q877 PolarHBondContact ND1-OE1 3.04Å; H873-Q877 VanDerWaalsContact ND1-OE1 3.09Å; H873-Q877 WeakPolarHBondContact O-CG 3.47Å; H873-Q877 PolarHBondContact O-N 3.31Å
874Y86Confident83.9Confident17 Ų1745 Ų457%0.06723%0.228CC..Hα-helixtrans-67.5-39.7177.7-169.2-96.3000112.2L811 S814 E815 L819 W826 Q870 I871 L872 Q877 Y878L811-Y874 HydrophobicContact CB-CD2 4.41Å; L811-Y874 HydrophobicContact CB-CE2 4.09Å; L811-Y874 HydrophobicContact CD1-CD2 4Å; L811-Y874 HydrophobicContact CD1-CE2 4.48Å; L811-Y874 HydrophobicContact CD1-CG 4.39Å; L811-Y874 HydrophobicContact CD2-CD1 3.72Å; L811-Y874 HydrophobicContact CD2-CD2 3.89Å; L811-Y874 HydrophobicContact CD2-CE1 4.04Å; L811-Y874 HydrophobicContact CD2-CE2 4.21Å; L811-Y874 HydrophobicContact CD2-CG 3.64Å; L811-Y874 HydrophobicContact CG-CD2 4.31Å; L811-Y874 HydrophobicContact CG-CE2 4.47Å; L811-Y874 PolarHBondContact O-OH 3.37Å; S814-Y874 WeakPolarHBondContact OG-CE1 3.38Å; S814-Y874 PolarHBondContact OG-OH 3.48Å; S814-Y874 VanDerWaalsContact OG-OH 3.05Å; E815-Y874 WeakPolarHBondContact CA-OH 3.45Å; E815-Y874 WeakPolarHBondContact CB-OH 3.45Å; E815-Y874 PolarHBondContact N-OH 3.04Å; E815-Y874 VanDerWaalsContact N-OH 3.14Å; L819-Y874 HydrophobicContact CD1-CD1 4.42Å; L819-Y874 HydrophobicContact CD1-CE1 3.67Å; W826-Y874 HydrophobicContact CH2-CD1 4.25Å; W826-Y874 AromaticContact CZ2-CD1 3.98Å; W826-Y874 HydrophobicContact CZ2-CD1 3.98Å; W826-Y874 HydrophobicContact CZ2-CE1 4.25Å; Q870-Y874 WeakPolarHBondContact O-CB 3.47Å; Q870-Y874 PolarHBondContact O-N 3.43Å; I871-Y874 PolarHBondContact O-N 2.96Å; L872-Y874 VanDerWaalsContact C-N 3.33Å; L872-Y874 PolarHBondContact O-N 3.22Å; Y874-Q877 PolarHBondContact O-N 3.22Å; Y874-Y878 HydrophobicContact CD1-CD2 4.28Å; Y874-Y878 AromaticContact CD2-CD2 3.67Å; Y874-Y878 HydrophobicContact CD2-CD2 3.67Å; Y874-Y878 AromaticContact CD2-CE2 3.75Å; Y874-Y878 HydrophobicContact CD2-CE2 3.75Å; Y874-Y878 HydrophobicContact CE1-CD2 4.06Å; Y874-Y878 HydrophobicContact CE1-CG 4.43Å; Y874-Y878 AromaticContact CE2-CD2 3.42Å; Y874-Y878 HydrophobicContact CE2-CD2 3.42Å; Y874-Y878 VanDerWaalsContact CE2-CD2 3.42Å; Y874-Y878 AromaticContact CE2-CE2 3.34Å; Y874-Y878 HydrophobicContact CE2-CE2 3.34Å; Y874-Y878 HydrophobicContact CE2-CG 4.36Å; Y874-Y878 HydrophobicContact CG-CD2 4.09Å; Y874-Y878 AromaticContact CZ-CD2 3.62Å; Y874-Y878 AromaticContact CZ-CE2 3.91Å; Y874-Y878 WeakPolarHBondContact O-CD2 3.3Å; Y874-Y878 PolarHBondContact O-N 3.47Å
875M84.8Confident83.6Confident0 Ų045.5 Ų45.50%023%0.231CC..Hα-helixtrans-62.1-42.7169.6-70.8177.8-17600111.7W826 L827 L830 I871 L872 Q877 Y878 A879 S880 I883 Y886W826-M875 HydrophobicContact CE3-CE 4.34Å; W826-M875 HydrophobicContact CH2-CE 3.74Å; W826-M875 HydrophobicContact CH2-CG 3.69Å; W826-M875 HydrophobicContact CZ3-CE 3.32Å; W826-M875 HydrophobicContact CZ3-CG 3.74Å; W826-M875 HydrophobicContact CZ3-SD 4.32Å; L827-M875 HydrophobicContact CD2-CE 4.45Å; L830-M875 HydrophobicContact CD1-CE 3.55Å; I871-M875 HydrophobicContact CG2-CE 3.4Å; I871-M875 HydrophobicContact CG2-CG 4.37Å; I871-M875 HydrophobicContact CG2-SD 4.08Å; I871-M875 WeakPolarHBondContact O-CG 3.4Å; I871-M875 PolarHBondContact O-N 3.04Å; L872-M875 HydrophobicContact CD2-SD 4.41Å; L872-M875 PolarHBondContact O-N 2.95Å; M875-Q877 VanDerWaalsContact C-N 3.26Å; M875-Q877 PolarHBondContact O-N 2.95Å; M875-Y878 PolarHBondContact O-N 3.28Å; M875-A879 CarbonylContact O-C 3.59Å; M875-A879 WeakPolarHBondContact O-CA 3.26Å; M875-A879 PolarHBondContact O-N 2.85Å; M875-S880 WeakPolarHBondContact O-CA 3.38Å; M875-S880 PolarHBondContact O-N 3.16Å; M875-I883 HydrophobicContact CB-CD1 4.28Å; M875-I883 HydrophobicContact CB-CG1 3.59Å; M875-I883 HydrophobicContact CG-CG1 4.47Å; M875-I883 HydrophobicContact SD-CG1 4.17Å; M875-Y886 HydrophobicContact CE-CD1 3.69Å; M875-Y886 HydrophobicContact CE-CD2 3.97Å; M875-Y886 HydrophobicContact CE-CE1 4.34Å; M875-Y886 HydrophobicContact CE-CG 3.48Å; M875-Y886 VanDerWaalsContact CE-CG 3.48Å; M875-Y886 HydrophobicContact SD-CD1 3.89Å; M875-Y886 HydrophobicContact SD-CG 4.11Å
876E83.9Confident83.7Confident120 Ų12042.7 Ų42.756%0.56121%0.211SC*.Hα-helixtrans-59.4-36.5177.7-76.8170.8-171.700111.9L872 H873 I883L872-E876 WeakPolarHBondContact O-CB 3.28Å; L872-E876 VanDerWaalsContact O-CG 3.26Å; L872-E876 WeakPolarHBondContact O-CG 3.42Å; L872-E876 PolarHBondContact O-N 3.35Å; H873-E876 PolarHBondContact O-N 2.95Å; E876-I883 HydrophobicContact CB-CD1 4.41Å; E876-I883 HydrophobicContact CG-CD1 3.54Å
877Q84.1Confident83.7Confident122 Ų12238.7 Ų38.757%0.5719%0.19SC*.Hα-helixtrans-76.1-49.7175.8-69.2178.2-5900113.7H873 Y874 M875H873-Q877 PolarHBondContact CE1-OE1 3.48Å; H873-Q877 VanDerWaalsContact CE1-OE1 3.24Å; H873-Q877 PolarHBondContact ND1-OE1 3.04Å; H873-Q877 VanDerWaalsContact ND1-OE1 3.09Å; H873-Q877 WeakPolarHBondContact O-CG 3.47Å; H873-Q877 PolarHBondContact O-N 3.31Å; Y874-Q877 PolarHBondContact O-N 3.22Å; M875-Q877 VanDerWaalsContact C-N 3.26Å; M875-Q877 PolarHBondContact O-N 2.95Å
878Y80.2Confident83.3Confident114 Ų11438.5 Ų38.545%0.44719%0.189SC..Hα-helixtrans-109.5-26.9-165.6-67.7-84.5000115.2E815 Y874 M875E815-Y878 HydrophobicContact CG-CD1 4.37Å; E815-Y878 HydrophobicContact CG-CE1 3.76Å; E815-Y878 WeakPolarHBondContact OE1-CE1 3.43Å; E815-Y878 PolarHBondContact OE1-OH 3.08Å; Y874-Y878 HydrophobicContact CD1-CD2 4.28Å; Y874-Y878 AromaticContact CD2-CD2 3.67Å; Y874-Y878 HydrophobicContact CD2-CD2 3.67Å; Y874-Y878 AromaticContact CD2-CE2 3.75Å; Y874-Y878 HydrophobicContact CD2-CE2 3.75Å; Y874-Y878 HydrophobicContact CE1-CD2 4.06Å; Y874-Y878 HydrophobicContact CE1-CG 4.43Å; Y874-Y878 AromaticContact CE2-CD2 3.42Å; Y874-Y878 HydrophobicContact CE2-CD2 3.42Å; Y874-Y878 VanDerWaalsContact CE2-CD2 3.42Å; Y874-Y878 AromaticContact CE2-CE2 3.34Å; Y874-Y878 HydrophobicContact CE2-CE2 3.34Å; Y874-Y878 HydrophobicContact CE2-CG 4.36Å; Y874-Y878 HydrophobicContact CG-CD2 4.09Å; Y874-Y878 AromaticContact CZ-CD2 3.62Å; Y874-Y878 AromaticContact CZ-CE2 3.91Å; Y874-Y878 WeakPolarHBondContact O-CD2 3.3Å; Y874-Y878 PolarHBondContact O-N 3.47Å; M875-Y878 PolarHBondContact O-N 3.28Å
879A77.4Confident82.8Confident3 Ų338.6 Ų38.63%0.02519%0.191CC..  trans-149.546.9-165.500000113.3L819 M875 H881 L882L819-A879 HydrophobicContact CD1-CB 4.13Å; L819-A879 HydrophobicContact CD2-CB 3.83Å; M875-A879 CarbonylContact O-C 3.59Å; M875-A879 WeakPolarHBondContact O-CA 3.26Å; M875-A879 PolarHBondContact O-N 2.85Å; A879-H881 PolarHBondContact O-N 3.37Å; A879-L882 HydrophobicContact CB-CD1 3.9Å; A879-L882 HydrophobicContact CB-CG 4.19Å; A879-L882 WeakPolarHBondContact O-CB 3.38Å; A879-L882 PolarHBondContact O-N 3.26Å
880S80.1Confident82.5Confident78 Ų7837 Ų3755%0.54518%0.18SC..G310 helixtrans-62-16.8-167.359.10000115.2M875 L882 I883M875-S880 WeakPolarHBondContact O-CA 3.38Å; M875-S880 PolarHBondContact O-N 3.16Å; S880-L882 VanDerWaalsContact C-N 3.33Å; S880-I883 WeakPolarHBondContact O-CD1 3.48Å; S880-I883 WeakPolarHBondContact O-CG1 3.29Å
881H76.4Confident82.1Confident72 Ų7233.7 Ų33.733%0.33316%0.164SC..G310 helixtrans-70-24.417262-83000113.6A879 P885A879-H881 PolarHBondContact O-N 3.37Å; H881-P885 WeakPolarHBondContact O-CD 3.42Å
882L80.4Confident81.5Confident2 Ų234.5 Ų34.51%0.0117%0.167CC..G310 helixtrans-82.2-11.8179.7-56.8-177.5000113.9L819 P823 W826 L827 A879 S880 I884 P885 Y886L819-L882 HydrophobicContact CD2-CD1 3.62Å; P823-L882 HydrophobicContact CB-CD1 4.24Å; W826-L882 HydrophobicContact CE3-CD1 3.89Å; W826-L882 HydrophobicContact CZ3-CD1 4.11Å; L827-L882 HydrophobicContact CD1-CD2 4.1Å; A879-L882 HydrophobicContact CB-CD1 3.9Å; A879-L882 HydrophobicContact CB-CG 4.19Å; A879-L882 WeakPolarHBondContact O-CB 3.38Å; A879-L882 PolarHBondContact O-N 3.26Å; S880-L882 VanDerWaalsContact C-N 3.33Å; L882-I884 PolarHBondContact O-N 2.92Å; L882-P885 WeakPolarHBondContact O-CD 3.49Å; L882-Y886 WeakPolarHBondContact O-CB 3.37Å; L882-Y886 PolarHBondContact O-N 3.32Å
883I84.3Confident80.7Confident19 Ų1935 Ų3510%0.09717%0.17CC..Hα-helixtrans-59-46.5-177.5-63.9171.2000111.6L872 M875 E876 S880 Y886 L887 A1122L872-I883 HydrophobicContact CD2-CG2 3.97Å; M875-I883 HydrophobicContact CB-CD1 4.28Å; M875-I883 HydrophobicContact CB-CG1 3.59Å; M875-I883 HydrophobicContact CG-CG1 4.47Å; M875-I883 HydrophobicContact SD-CG1 4.17Å; E876-I883 HydrophobicContact CB-CD1 4.41Å; E876-I883 HydrophobicContact CG-CD1 3.54Å; S880-I883 WeakPolarHBondContact O-CD1 3.48Å; S880-I883 WeakPolarHBondContact O-CG1 3.29Å; I883-Y886 PolarHBondContact O-N 2.97Å; I883-L887 HydrophobicContact CG2-CD1 3.78Å; I883-L887 HydrophobicContact CG2-CG 4.5Å; I883-L887 WeakPolarHBondContact O-CB 3.3Å; I883-L887 WeakPolarHBondContact O-CG 3.49Å; I883-L887 PolarHBondContact O-N 3.42Å; I883-A1122 HydrophobicContact CG2-CB 3.85Å
884I83.1Confident79.3Confident17 Ų1733.8 Ų33.89%0.08717%0.165CC..Hα-helixtrans-65.5-53.1179.7-72.2171000110.5L882 Y886 L887 E888 Y1119 A1122 L1123 R1126 L1154L882-I884 PolarHBondContact O-N 2.92Å; I884-Y886 VanDerWaalsContact C-N 3.32Å; I884-Y886 PolarHBondContact O-N 2.82Å; I884-L887 PolarHBondContact O-N 3.08Å; I884-E888 HydrophobicContact CG2-CG 4.48Å; I884-E888 WeakPolarHBondContact CG2-OE1 3.27Å; I884-E888 WeakPolarHBondContact O-CB 3.14Å; I884-E888 VanDerWaalsContact O-CG 3.3Å; I884-E888 WeakPolarHBondContact O-CG 3.42Å; I884-E888 PolarHBondContact O-N 3Å; I884-Y1119 HydrophobicContact CG2-CE2 4.29Å; I884-A1122 HydrophobicContact CG1-CB 3.92Å; I884-L1123 HydrophobicContact CD1-CD2 4.2Å; I884-R1126 HydrophobicContact CD1-CB 3.64Å; I884-R1126 HydrophobicContact CD1-CG 3.85Å; I884-L1154 HydrophobicContact CD1-CD2 4.45Å
885P78.2Confident77.8Confident9 Ų934.2 Ų34.26%0.05817%0.166CC..Hα-helixtrans-49.2-44.8170.6-30.233.3000115L827 H881 L882 E888 L889 L1063L827-P885 HydrophobicContact CD1-CB 3.97Å; H881-P885 WeakPolarHBondContact O-CD 3.42Å; L882-P885 WeakPolarHBondContact O-CD 3.49Å; P885-E888 PolarHBondContact O-N 3.26Å; P885-L889 VanDerWaalsContact O-CB 3.25Å; P885-L889 WeakPolarHBondContact O-CB 3.16Å; P885-L889 PolarHBondContact O-N 3.27Å; P885-L1063 HydrophobicContact CB-CD1 4.01Å; P885-L1063 WeakPolarHBondContact O-CD1 3.32Å
886Y83.1Confident75.8Confident0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-67.1-43.6-179.8173.1-118.2000113L830 E834 I871 L872 M875 L882 I883 I884 L889 I890L830-Y886 HydrophobicContact CB-CE2 4.25Å; L830-Y886 HydrophobicContact CD1-CD2 4.09Å; L830-Y886 HydrophobicContact CD1-CE2 4.09Å; E834-Y886 PolarHBondContact OE1-OH 3.02Å; I871-Y886 HydrophobicContact CB-CE1 4.47Å; I871-Y886 HydrophobicContact CG2-CD1 4.21Å; I871-Y886 HydrophobicContact CG2-CE1 3.68Å; I871-Y886 HydrophobicContact CG2-CE2 4.37Å; L872-Y886 HydrophobicContact CD2-CD1 3.82Å; L872-Y886 HydrophobicContact CD2-CE1 4.06Å; L872-Y886 HydrophobicContact CG-CD1 4.4Å; L872-Y886 HydrophobicContact CG-CE1 4.12Å; M875-Y886 HydrophobicContact CE-CD1 3.69Å; M875-Y886 HydrophobicContact CE-CD2 3.97Å; M875-Y886 HydrophobicContact CE-CE1 4.34Å; M875-Y886 HydrophobicContact CE-CG 3.48Å; M875-Y886 VanDerWaalsContact CE-CG 3.48Å; M875-Y886 HydrophobicContact SD-CD1 3.89Å; M875-Y886 HydrophobicContact SD-CG 4.11Å; L882-Y886 WeakPolarHBondContact O-CB 3.37Å; L882-Y886 PolarHBondContact O-N 3.32Å; I883-Y886 PolarHBondContact O-N 2.97Å; I884-Y886 VanDerWaalsContact C-N 3.32Å; I884-Y886 PolarHBondContact O-N 2.82Å; Y886-L889 WeakPolarHBondContact O-CB 3.32Å; Y886-L889 PolarHBondContact O-N 3.03Å; Y886-I890 HydrophobicContact CD1-CD1 4.23Å; Y886-I890 HydrophobicContact CD2-CD1 4.31Å; Y886-I890 HydrophobicContact CE1-CD1 3.74Å; Y886-I890 HydrophobicContact CE2-CD1 3.81Å; Y886-I890 HydrophobicContact CE2-CG1 4.39Å; Y886-I890 HydrophobicContact CG-CD1 4.5Å; Y886-I890 PolarHBondContact O-N 3.5Å; Y886-I890 VanDerWaalsContact O-N 3.09Å
887L85.3Confident73.8Confident3 Ų337.5 Ų37.52%0.01619%0.187CC..Hα-helixtrans-68.1-35.9176.8-69.4171000111.6L872 I883 I884 L889 I890 I891 V1115 R1118 Y1119 A1122L872-L887 HydrophobicContact CD1-CD2 4.28Å; L872-L887 HydrophobicContact CD2-CD1 4.36Å; L872-L887 HydrophobicContact CD2-CD2 4.26Å; L872-L887 HydrophobicContact CD2-CG 4.26Å; I883-L887 HydrophobicContact CG2-CD1 3.78Å; I883-L887 HydrophobicContact CG2-CG 4.5Å; I883-L887 WeakPolarHBondContact O-CB 3.3Å; I883-L887 WeakPolarHBondContact O-CG 3.49Å; I883-L887 PolarHBondContact O-N 3.42Å; I884-L887 PolarHBondContact O-N 3.08Å; L887-L889 VanDerWaalsContact C-N 3.35Å; L887-I890 PolarHBondContact O-N 3.37Å; L887-I891 VanDerWaalsContact O-CB 3.32Å; L887-I891 WeakPolarHBondContact O-CB 3.43Å; L887-I891 WeakPolarHBondContact O-CD1 3.3Å; L887-I891 WeakPolarHBondContact O-CG1 3.31Å; L887-I891 PolarHBondContact O-N 3.36Å; L887-V1115 HydrophobicContact CD2-CG1 4.31Å; L887-R1118 HydrophobicContact CD1-CB 4.26Å; L887-Y1119 HydrophobicContact CB-CD2 3.86Å; L887-Y1119 HydrophobicContact CB-CG 4.49Å; L887-A1122 HydrophobicContact CD1-CB 4.16Å
888E80.2Confident71.4Confident2 Ų240.9 Ų40.91%0.00920%0.203CC..Hα-helixtrans-66.1-37.2173.5-71.2179.7-168.400112.7I884 P885 I890 I891 F892 S1062 L1063 Y1119 R1157I884-E888 HydrophobicContact CG2-CG 4.48Å; I884-E888 WeakPolarHBondContact CG2-OE1 3.27Å; I884-E888 WeakPolarHBondContact O-CB 3.14Å; I884-E888 VanDerWaalsContact O-CG 3.3Å; I884-E888 WeakPolarHBondContact O-CG 3.42Å; I884-E888 PolarHBondContact O-N 3Å; P885-E888 PolarHBondContact O-N 3.26Å; E888-I890 VanDerWaalsContact C-N 3.31Å; E888-I890 PolarHBondContact O-N 3.31Å; E888-I891 PolarHBondContact O-N 3.01Å; E888-F892 HydrophobicContact CB-CD2 4.01Å; E888-F892 HydrophobicContact CB-CE2 4.49Å; E888-F892 HydrophobicContact CG-CD2 4.06Å; E888-F892 HydrophobicContact CG-CE2 4.05Å; E888-F892 WeakPolarHBondContact O-CB 3.45Å; E888-F892 PolarHBondContact O-N 3.24Å; E888-S1062 WeakPolarHBondContact OE2-CB 3.44Å; E888-L1063 HydrophobicContact CB-CD1 4.43Å; E888-Y1119 HydrophobicContact CG-CD2 4.37Å; E888-Y1119 HydrophobicContact CG-CE2 3.44Å; E888-Y1119 VanDerWaalsContact CG-CE2 3.44Å; E888-Y1119 WeakPolarHBondContact OE1-CE2 3.32Å; E888-Y1119 PolarHBondContact OE1-OH 3.48Å; E888-R1157 IonicContact OE1-CZ 2.68Å; E888-R1157 IonicContact OE1-NE 2.78Å; E888-R1157 IonicContact OE1-NH1 3.75Å; E888-R1157 PolarHBondContact OE1-NH1 3.27Å; E888-R1157 IonicContact OE1-NH2 2.65Å; E888-R1157 PolarHBondContact OE1-NH2 3.35Å; E888-R1157 IonicContact OE2-CZ 2.63Å; E888-R1157 IonicContact OE2-NH1 3.13Å; E888-R1157 IonicContact OE2-NH2 2.88Å; E888-R1157 PolarHBondContact OE2-NH2 3.28Å
889L77.3Confident69.1Low16 Ų1642.1 Ų42.18%0.08421%0.212CC..Hα-helixtrans-63.7-34.3174177.8147.1000112.3Y831 P885 Y886 L887 I893 W895Y831-L889 HydrophobicContact CD2-CD1 3.98Å; Y831-L889 HydrophobicContact CD2-CD2 4.1Å; Y831-L889 HydrophobicContact CD2-CG 4.07Å; Y831-L889 HydrophobicContact CG-CD1 4.4Å; P885-L889 VanDerWaalsContact O-CB 3.25Å; P885-L889 WeakPolarHBondContact O-CB 3.16Å; P885-L889 PolarHBondContact O-N 3.27Å; Y886-L889 WeakPolarHBondContact O-CB 3.32Å; Y886-L889 PolarHBondContact O-N 3.03Å; L887-L889 VanDerWaalsContact C-N 3.35Å; L889-I893 HydrophobicContact CB-CD1 4.32Å; L889-I893 HydrophobicContact CD1-CD1 4.49Å; L889-I893 HydrophobicContact CG-CD1 3.85Å; L889-I893 WeakPolarHBondContact O-CG1 3.32Å; L889-W895 HydrophobicContact CD2-CH2 4.28Å; L889-W895 WeakPolarHBondContact O-CZ2 3.49Å
890I79.5Confident66.7Low2 Ų249 Ų491%0.0125%0.248CC..Hα-helixtrans-73.5-45.6171.4-67.5161.7000111.7Y886 L887 E888 W895 V1115Y886-I890 HydrophobicContact CD1-CD1 4.23Å; Y886-I890 HydrophobicContact CD2-CD1 4.31Å; Y886-I890 HydrophobicContact CE1-CD1 3.74Å; Y886-I890 HydrophobicContact CE2-CD1 3.81Å; Y886-I890 HydrophobicContact CE2-CG1 4.39Å; Y886-I890 HydrophobicContact CG-CD1 4.5Å; Y886-I890 PolarHBondContact O-N 3.5Å; Y886-I890 VanDerWaalsContact O-N 3.09Å; L887-I890 PolarHBondContact O-N 3.37Å; E888-I890 VanDerWaalsContact C-N 3.31Å; E888-I890 PolarHBondContact O-N 3.31Å; I890-W895 PolarHBondContact O-NE1 3.01Å; I890-V1115 HydrophobicContact CG2-CG1 3.9Å
891I79.6Confident64.4Low0 Ų049.8 Ų49.80%025%0.25CC..Hα-helixtrans-79.3-36.6-166.8-69.2169.1000113.5L887 E888 I1103 P1104 Y1106 V1115 Y1119 F1161L887-I891 VanDerWaalsContact O-CB 3.32Å; L887-I891 WeakPolarHBondContact O-CB 3.43Å; L887-I891 WeakPolarHBondContact O-CD1 3.3Å; L887-I891 WeakPolarHBondContact O-CG1 3.31Å; L887-I891 PolarHBondContact O-N 3.36Å; E888-I891 PolarHBondContact O-N 3.01Å; I891-I1103 HydrophobicContact CG2-CD1 4.37Å; I891-I1103 HydrophobicContact CG2-CG1 4.25Å; I891-P1104 WeakPolarHBondContact O-CD 3.35Å; I891-Y1106 VanDerWaalsContact CA-OH 3.32Å; I891-Y1106 WeakPolarHBondContact CA-OH 3.48Å; I891-Y1106 PolarHBondContact O-OH 3.36Å; I891-V1115 HydrophobicContact CD1-CG1 4.06Å; I891-V1115 HydrophobicContact CG1-CG1 3.79Å; I891-Y1119 VanDerWaalsContact CD1-CB 3.48Å; I891-Y1119 HydrophobicContact CD1-CD1 3.95Å; I891-Y1119 HydrophobicContact CD1-CD2 4.32Å; I891-Y1119 HydrophobicContact CD1-CG 3.66Å; I891-F1161 HydrophobicContact CG2-CE2 4.27Å
892F74.9Confident62.2Low18 Ų1850.7 Ų50.78%0.07926%0.257CS..SBendtrans-111.1-5.4-165.7-65.4-60.2000115.1E888 L1100 P1101 I1103 Y1119 F1161E888-F892 HydrophobicContact CB-CD2 4.01Å; E888-F892 HydrophobicContact CB-CE2 4.49Å; E888-F892 HydrophobicContact CG-CD2 4.06Å; E888-F892 HydrophobicContact CG-CE2 4.05Å; E888-F892 WeakPolarHBondContact O-CB 3.45Å; E888-F892 PolarHBondContact O-N 3.24Å; F892-L1100 HydrophobicContact CE1-CB 4.19Å; F892-L1100 HydrophobicContact CE1-CD2 4.49Å; F892-L1100 HydrophobicContact CE2-CD2 4.23Å; F892-L1100 HydrophobicContact CZ-CB 4.31Å; F892-L1100 HydrophobicContact CZ-CD1 4.28Å; F892-L1100 HydrophobicContact CZ-CD2 3.81Å; F892-L1100 HydrophobicContact CZ-CG 4.36Å; F892-P1101 HydrophobicContact CB-CG 3.71Å; F892-P1101 HydrophobicContact CD1-CG 3.59Å; F892-P1101 WeakPolarHBondContact CD1-O 3.31Å; F892-P1101 HydrophobicContact CE1-CG 4.37Å; F892-P1101 HydrophobicContact CG-CG 3.72Å; F892-I1103 HydrophobicContact CD1-CG1 4.27Å; F892-I1103 HydrophobicContact CE1-CG1 3.87Å; F892-Y1119 HydrophobicContact CE2-CE1 4.17Å; F892-Y1119 HydrophobicContact CZ-CE1 4.35Å; F892-F1161 HydrophobicContact CZ-CD2 4.31Å; F892-F1161 HydrophobicContact CZ-CE2 4.49Å
893I68.9Low59.8Low17 Ų1757.6 Ų57.69%0.08729%0.292CS..SBendtrans-92.1130.2179-56.9-174.3000110.7Y831 L889 W895 L1081Y831-I893 HydrophobicContact CD2-CD1 4.33Å; Y831-I893 HydrophobicContact CE2-CD1 3.91Å; Y831-I893 HydrophobicContact CE2-CG2 4.4Å; L889-I893 HydrophobicContact CB-CD1 4.32Å; L889-I893 HydrophobicContact CD1-CD1 4.49Å; L889-I893 HydrophobicContact CG-CD1 3.85Å; L889-I893 WeakPolarHBondContact O-CG1 3.32Å; I893-W895 PolarHBondContact O-N 3.15Å; I893-W895 VanDerWaalsContact O-N 3.15Å; I893-W895 PolarHBondContact O-NE1 3.33Å; I893-L1081 HydrophobicContact CD1-CD1 4.08Å; I893-L1081 HydrophobicContact CD1-CD2 3.85Å; I893-L1081 HydrophobicContact CG1-CD2 4.05Å; I893-L1081 HydrophobicContact CG2-CD2 3.98Å
894Q57.3Low57.3Low79 Ų7961.3 Ų61.337%0.36931%0.313SS..  trans-74.6101.5171.1-73.5-170.426.300111N896 P1104Q894-N896 PolarHBondContact O-N 2.93Å; Q894-P1104 HydrophobicContact CG-CB 4.01Å
895W55.8Low54.9Low25 Ų2568.3 Ų68.310%0.09535%0.35CS..SBendtrans-65.417.8174.2-56.491.2000115Y831 E834 Q835 T838 R842 L889 I890 I893Y831-W895 HydrophobicContact CD2-CH2 4.32Å; E834-W895 HydrophobicContact CB-CH2 3.37Å; E834-W895 HydrophobicContact CB-CZ2 4.25Å; E834-W895 HydrophobicContact CB-CZ3 3.6Å; E834-W895 HydrophobicContact CG-CH2 4.33Å; Q835-W895 HydrophobicContact CB-CZ3 4.39Å; Q835-W895 HydrophobicContact CG-CE3 4.06Å; Q835-W895 HydrophobicContact CG-CZ3 3.7Å; T838-W895 HydrophobicContact CG2-CB 4.11Å; R842-W895 PolarHBondContact NH1-O 3.46Å; R842-W895 PolarHBondContact NH2-O 3.4Å; L889-W895 HydrophobicContact CD2-CH2 4.28Å; L889-W895 WeakPolarHBondContact O-CZ2 3.49Å; I890-W895 PolarHBondContact O-NE1 3.01Å; I893-W895 PolarHBondContact O-N 3.15Å; I893-W895 VanDerWaalsContact O-N 3.15Å; I893-W895 PolarHBondContact O-NE1 3.33Å
896N42.4Very low52.7Low118 Ų11873.9 Ų73.963%0.63138%0.379SS*.  trans-130.522.8-153.6-144.840.2000114.1R842 Q894R842-N896 PolarHBondContact NH2-OD1 3.43Å; Q894-N896 PolarHBondContact O-N 2.93Å
897I41Very low50.3Low71 Ų7181.2 Ų81.236%0.36442%0.419SS..  trans-102.4116.3-175-61.2178.5000110.2H899I897-H899 HydrophobicContact CG2-CB 3.97Å; I897-H899 VanDerWaalsContact CG2-CD2 3.44Å; I897-H899 WeakPolarHBondContact CG2-CD2 3.44Å; I897-H899 PolarHBondContact O-N 3Å; I897-H899 VanDerWaalsContact O-N 3.14Å
898Q33.4Very low47.7Very low194 Ų19489.3 Ų89.391%0.90745%0.45SS*.  trans-85.766.1169.7-74.6176.3-97.800111
899H33.3Very low45.3Very low139 Ų13997 Ų9764%0.64448%0.48SS*.  trans-122.1127.4157.9-69-61.7000105.4I897 V901I897-H899 HydrophobicContact CG2-CB 3.97Å; I897-H899 VanDerWaalsContact CG2-CD2 3.44Å; I897-H899 WeakPolarHBondContact CG2-CD2 3.44Å; I897-H899 PolarHBondContact O-N 3Å; I897-H899 VanDerWaalsContact O-N 3.14Å; H899-V901 HydrophobicContact CB-CG2 3.72Å
900N26.9Very low43Very low148 Ų148103.7 Ų103.779%0.79152%0.516SS*.  cis52.834.620.4-8256000112.7
901V30.3Very low40.5Very low95 Ų95110.6 Ų110.658%0.57655%0.548SS*.  -98.2120.7124.2-142.50000100H899 I903H899-V901 HydrophobicContact CB-CG2 3.72Å; V901-I903 HydrophobicContact CB-CG1 4.05Å; V901-I903 HydrophobicContact CG1-CG1 4.06Å
902D30.2Very low38Very low91 Ų91117.3 Ų117.349%0.48758%0.584SS.*  cis39.538.940.3-69.5-10.6000109.5D904 R1015D902-D904 PolarHBondContact O-N 3.33Å; D902-R1015 IonicContact OD1-NH2 3.57Å; D902-R1015 PolarHBondContact OD1-NH2 2.98Å; D902-R1015 IonicContact OD2-NH2 3.04Å; D902-R1015 PolarHBondContact OD2-NH2 3.33Å
903I31.5Very low35.8Very low146 Ų146126.1 Ų126.175%0.74963%0.626SS**  trans-73.2107.4143.9-58.5177.7000101.5V901V901-I903 HydrophobicContact CB-CG1 4.05Å; V901-I903 HydrophobicContact CG1-CG1 4.06Å
904D32.3Very low33.9Very low98 Ų98131.3 Ų131.352%0.52465%0.654SS.*  trans-63.8149.2-158-50-79.1000111.5D902 D906D902-D904 PolarHBondContact O-N 3.33Å; D904-D906 HydrophobicContact CB-CB 3.63Å; D904-D906 PolarHBondContact O-N 3.19Å
905D32.4Very low32.5Very low164 Ų164134.4 Ų134.488%0.87768%0.678SS**SBendtrans-71.33.6159-73.5-58.2000110.5D907D905-D907 PolarHBondContact O-N 2.84Å; D905-D907 VanDerWaalsContact O-N 3.08Å
906D30.8Very low31.2Very low125 Ų125139 Ų13967%0.66871%0.709SS**  trans-78.438.8174.2-55.7-15000112.7D904 Y908D904-D906 HydrophobicContact CB-CB 3.63Å; D904-D906 PolarHBondContact O-N 3.19Å; D906-Y908 PolarHBondContact O-N 3.23Å
907D32.6Very low30.7Very low155 Ų155142.1 Ų142.183%0.82972%0.72SS**  trans-81.154.8140.6-81.9-6.5000106.6D905 Y909D905-D907 PolarHBondContact O-N 2.84Å; D905-D907 VanDerWaalsContact O-N 3.08Å; D907-Y909 PolarHBondContact O-N 2.77Å
908Y31.1Very low30.1Very low172 Ų172146.3 Ų146.368%0.67574%0.743SS**  trans-78.8104.2178178-84.2000108.1D906D906-Y908 PolarHBondContact O-N 3.23Å
909Y29.5Very low30.1Very low163 Ų163143.5 Ų143.564%0.63973%0.734SS**  trans49.866.8166.8-63.9-106.9000115.7D907 E911D907-Y909 PolarHBondContact O-N 2.77Å; Y909-E911 VanDerWaalsContact C-N 3.26Å; Y909-E911 PolarHBondContact O-N 2.98Å
910D29.7Very low29.8Very low158 Ų158146.1 Ų146.185%0.84575%0.746SS**  trans-86.579.4145.9-71.6-20.6000107.8
911E27.4Very low29.9Very low146 Ų146145.9 Ų145.968%0.68274%0.744SS**  trans-69.4170.2136.1-66.8174.9163.200106.7Y909Y909-E911 VanDerWaalsContact C-N 3.26Å; Y909-E911 PolarHBondContact O-N 2.98Å
912D26.9Very low29.9Very low141 Ų141147.1 Ų147.175%0.75475%0.751SS**  trans70.972-178.5-43.1-25.2000116.9
913E28.4Very low29.8Very low204 Ų204149.4 Ų149.495%0.95376%0.763SS**  trans-99101.8136.8-102.1-170.5171.900106.7
914D28.1Very low29.6Very low125 Ų125151.4 Ų151.467%0.66877%0.77SS**  trans-61.7146.9-165.6-87.9-54.2000115.8T916D914-T916 HydrophobicContact CB-CG2 4.46Å; D914-T916 PolarHBondContact O-N 3.5Å
915V28.1Very low29.5Very low144 Ų144150.7 Ų150.787%0.87379%0.785SS**  trans-73.1101156.6178.90000107.9
916T30.1Very low29.3Very low123 Ų123152.2 Ų152.276%0.75579%0.787SS**  trans-125144.8164.538.20000110.6D914D914-T916 HydrophobicContact CB-CG2 4.46Å; D914-T916 PolarHBondContact O-N 3.5Å
917E29.9Very low29.3Very low183 Ų183152 Ų15286%0.85580%0.796SS**  trans-91.4148.2-166.4-60.3166.1128.500111.3
918D30.2Very low29Very low158 Ų158153.6 Ų153.685%0.84580%0.798SS**  trans-167.8101.1157.8-115.5-22.7000109.1
919N31.6Very low28.9Very low135 Ų135153.1 Ų153.172%0.72280%0.802SS**  trans-172.456163.2-106.1-72.5000111.7I921N919-I921 PolarHBondContact O-N 3.23Å
920E28.3Very low28.8Very low194 Ų194152.1 Ų152.191%0.90780%0.803SS**  trans-73.6109.3159.4-74.9-167.1140.800110.2
921I29.3Very low28.6Very low144 Ų144152.4 Ų152.474%0.73880%0.803SS**  trans-146.2104.9154.3-64.2-169.4000109.1N919N919-I921 PolarHBondContact O-N 3.23Å
922V29Very low28.7Very low120 Ų120148.6 Ų148.673%0.72780%0.802SS**  trans65119151.9179.50000115.5
923D28.3Very low28.7Very low139 Ų139150.3 Ų150.374%0.74381%0.806SS**  -142.4159.758.1-107.7-39000116.1
924E27.6Very low28.8Very low189 Ų189149 Ų14988%0.88380%0.8SS**  trans2134.7162.3-56-179160.400121.7
925G30.6Very low28.9Very low82 Ų82152.3 Ų152.385%0.84581%0.811SS**  trans160.684.8158.100000117.2
926E27.1Very low29.2Very low196 Ų196149 Ų14992%0.91681%0.807SS**  trans-70.9132.6172.7-58.3172.8149.900112.5
927S32.1Very low29.4Very low122 Ų122151.6 Ų151.685%0.85381%0.807SS**  175.2140.1126.834.10000113.4
928E25.9Very low29.7Very low187 Ų187148.2 Ų148.287%0.87480%0.795SS**  trans-84.9150.3163.4-55.6172.4126.300109.2
929E28.1Very low29.9Very low163 Ų163149.8 Ų149.876%0.76280%0.797SS**  169.3141.9124.4-91.6-158.4129.800115.7
930Q29.1Very low30Very low141 Ų141150.5 Ų150.566%0.65980%0.796SS**  trans56.5110.1142.7-60.3-177.23700123.7
931I25.1Very low30.4Very low165 Ų165148.7 Ų148.785%0.84679%0.788SS**  52.5117.4117.3-55.8160.4000120.4
932G29.2Very low30.7Very low65 Ų65150.2 Ų150.267%0.6779%0.792SS**  trans148.2121.4156.400000111.5
933H27.8Very low31Very low178 Ų178151.9 Ų151.982%0.82480%0.796SS**  87.2142.960.3-99.7-76.6000115.3
934E30.3Very low31.4Very low177 Ų177154.6 Ų154.683%0.82781%0.805SS**  trans71.8129.8176.9-59.7171.8-165.500115.2
935E29.7Very low31.7Very low193 Ų193155.1 Ų155.190%0.90281%0.807SS**  cis114.2135.511.6-77.1-165176.100114.7
936G33.4Very low31.9Very low76 Ų76154.3 Ų154.378%0.78480%0.799SS**  trans94.5164.2167.400000117.4
937K35.4Very low32.4Very low177 Ų177153.4 Ų153.477%0.7780%0.801SS**  cis-164.4146.5-10.8-82.6-158.6133.5-73.10108
938D34.9Very low32.5Very low111 Ų111150.8 Ų150.859%0.59479%0.792SS**  cis-126.8-122-18.1-70.9-48.9000109.9
939E34.9Very low33Very low191 Ų191149.6 Ų149.689%0.89379%0.792SS**  cis-139.1172.26.7-73.4-179.7106.200110.8
940Q34.3Very low33.3Very low151 Ų151146.1 Ų146.171%0.70679%0.786SS**  trans-96.2-175.7-176.1-64.6141.2-95.600112.4
941E36Very low33.5Very low155 Ų155146.3 Ų146.372%0.72479%0.792SS**  cis-15417710-143.8114-118.600106.4
942E35.3Very low33.7Very low177 Ų177145.2 Ų145.283%0.82778%0.783SS**  cis-156.3166.812.7-167.1172.7-150.100107.8
943D35.2Very low33.9Very low154 Ų154150 Ų15082%0.82479%0.791SS**  trans-88.3-167.7-171-49-70.5000114.8
944E37.8Very low33.9Very low196 Ų196149.6 Ų149.692%0.91679%0.787SS**  -148.7158.950.7-68.8-174.2135.400114.2
945E34.1Very low33.9Very low200 Ų200146.3 Ų146.394%0.93578%0.784SS**  trans-103.8179.2-178.4-58-171.9120.200114.5
946G35.3Very low33.9Very low66 Ų66144.7 Ų144.768%0.6877%0.774SS**  trans176.297.6165.300000117.1
947D36.7Very low33.5Very low177 Ų177147 Ų14795%0.94776%0.764SS**  trans54.8148.7158.1-56.9-23.5000120.7
948G34.3Very low33.4Very low66 Ų66150 Ų15068%0.6877%0.772SS**  cis154.7132.3-5.800000112.8
949D35.4Very low33Very low163 Ų163152.3 Ų152.387%0.87278%0.78SS**  trans59.7151.8163.4-78.4-14.3000121.2
950S36Very low32.6Very low89 Ų89148 Ų14862%0.62277%0.77SS**  cis-163.4154.5-17.3520000113.6
951N33.1Very low32.3Very low146 Ų146146.9 Ų146.978%0.78177%0.769SS**  trans53.2118.1142.2-60.4-24.1000124.4
952E28.7Very low32Very low142 Ų142143.6 Ų143.666%0.66476%0.757SS**  trans14.2144.1131.8-59.5-157104.800122.9K954E952-K954 IonicContact OE1-NZ 3.98Å; E952-K954 PolarHBondContact OE1-NZ 3.02Å
953I32.8Very low31.7Very low166 Ų166145.4 Ų145.485%0.85176%0.756SS**  -153.6145.7123.3-105.1153.8000110.4
954K27.4Very low31.4Very low169 Ų169142.2 Ų142.274%0.73575%0.745SS**  trans-112.4129.4179.4-60.3178.9178.287.30112E952E952-K954 IonicContact OE1-NZ 3.98Å; E952-K954 PolarHBondContact OE1-NZ 3.02Å
955S32.3Very low30.8Very low108 Ų108139.6 Ų139.676%0.75574%0.738SS**  trans-161.1112.3156.441.60000109
956K28.8Very low30.7Very low158 Ų158139 Ų13969%0.68773%0.732SS**  75.111867.2-85.2-172.5157.9-76.90114.6
957E25.4Very low30.2Very low124 Ų124143 Ų14358%0.57974%0.738SS**  trans48.2110.4137.5-67.7134.3-152.400119.3
958Y32.6Very low29.9Very low241 Ų241140 Ų14095%0.94573%0.727SS**  -121.1114.3128.8-95.1-90.3000108.4
959E26.2Very low29.7Very low160 Ų160142.5 Ų142.575%0.74872%0.724SS**  trans-78.7178.9172.1-61.2-176.9100.800110.9
960S26.4Very low29.3Very low99 Ų99142.1 Ų142.169%0.69272%0.717SS**  trans40.4136.4145.961.70000119.3
961D29.1Very low29Very low129 Ų129144.9 Ų144.969%0.6972%0.724SS**  -170.4163.765.6-142.1-12.1000116.3
962N28.9Very low28.9Very low86 Ų86144 Ų14446%0.4672%0.719SS.*  trans58.3121.7146.2-75.2-45.7000123.5
963R28.6Very low29Very low214 Ų214142.2 Ų142.281%0.80872%0.717SS**  73.2151.8124.6-66.3174-150.9-172.510.2119.3
964S29.4Very low29Very low87 Ų87140.8 Ų140.861%0.60871%0.711SS**  cis-161.7167.7-14.846.90000109.9
965D26.4Very low29.1Very low142 Ų142137.9 Ų137.976%0.75970%0.704SS**  trans-54.1145.1172.7-48.7-95.9000113.4
966F30.3Very low29.2Very low186 Ų186139.8 Ų139.882%0.81670%0.7SS**  trans-138.292.4156.5-98.7-78.7000110.3
967N25.9Very low29.3Very low151 Ų151138.6 Ų138.681%0.80770%0.697SS**  trans-75.8124.4155-75.7-51.5000108.1
968T30.9Very low29.6Very low114 Ų114139.3 Ų139.370%0.69970%0.699SS**  trans-150.591.3158.3-42.10000106.8
969D28.4Very low29.6Very low118 Ų118134.1 Ų134.163%0.63168%0.683SS**  71.5124.886.6-105-50.7000114.4
970Q27.6Very low29.6Very low156 Ų156135.8 Ų135.873%0.72969%0.691SS**  trans61.3131.1153.4-59.5154.647.600115.5
971L30.1Very low29.9Very low147 Ų147134.6 Ų134.677%0.7769%0.694SS**  -169.816357.5-71.4166.8000105.3
972I31.5Very low30Very low128 Ų128138.2 Ų138.266%0.65670%0.704SS**  cis-164.8150.75.9-125.9168000107.5
973T31Very low30.1Very low103 Ų103139.7 Ų139.763%0.63272%0.715SS**  trans39.1145.6154.667.20000122.4
974D31.3Very low30.3Very low136 Ų136135.8 Ų135.873%0.72771%0.709SS**  cis-165.9165.5-5.6-100.3-18.4000109.7
975D31Very low30.2Very low109 Ų109138.2 Ų138.258%0.58371%0.711SS**  trans29.1119.1147-80.1-37.1000120.4
976H34.7Very low30.4Very low147 Ų147139.9 Ų139.968%0.68171%0.711SS**  cis-169.314947.2-92.2-25000108.3
977Q30.3Very low30.4Very low134 Ų134136.8 Ų136.863%0.62671%0.713SS**  59.4132.569.9-61.5-170.251.100113.2
978K31.7Very low30.4Very low139 Ų139139.7 Ų139.760%0.60472%0.719SS**  cis-164165.514.3-127.3165.2174.7-1060113
979E31.7Very low30Very low131 Ų131141 Ų14161%0.61272%0.72SS**  trans46.1110.9147.8-76.2142.8-16600119.7
980E27Very low29.8Very low196 Ų196142.2 Ų142.292%0.91673%0.727SS**  80.2119.570.2-77.6-169.7-167.600115.1
981G31.7Very low29.8Very low74 Ų74139.9 Ų139.976%0.76374%0.735SS**  trans-176.281.7-179.800000115.1
982K32.7Very low29.5Very low204 Ų204138.5 Ų138.589%0.88773%0.732SS**  trans12.4136143-63.5170.6-176.6169.50117.5
983V30Very low29.4Very low117 Ų117140.6 Ų140.671%0.70974%0.739SS**  cis-166.5139.717.3105.60000112.6
984I32.3Very low29.1Very low133 Ų133143.8 Ų143.868%0.68275%0.751SS**  trans56.4118.1137.2-66.2172.3000121.8
985E28.7Very low28.8Very low137 Ų137144.5 Ų144.564%0.6476%0.755SS**  trans82.6123.2144.5-73.3178.8138.600125.2
986K29.8Very low28.4Very low177 Ų177145.4 Ų145.477%0.7777%0.769SS**  45.3131.9127.2-58164.5-176.3167.40119
987S29.7Very low27.8Very low121 Ų121143 Ų14385%0.84677%0.768SS**  cis-154.9168.73.645.40000111.4
988K25.7Very low27.7Very low213 Ų213143.6 Ų143.693%0.92677%0.769SS**  trans-74.9126.2-160.7-62.9174179.2176.60114.3
989L23.5Very low27.5Very low140 Ų140141.8 Ų141.873%0.73377%0.77SS**  trans-146.4153159.2-104.1169.2000110.8
990N24.6Very low27.1Very low144 Ų144144 Ų14477%0.7778%0.78SS**  trans53.892.4165.2-60.2-15000118.6
991A26.8Very low27.1Very low108 Ų108143.1 Ų143.189%0.89378%0.78SS**  trans-101.9107.3153.600000109.4
992T24.6Very low26.8Very low117 Ų117148.3 Ų148.372%0.71878%0.782SS**  trans-88.2171168.8470000110.9
993H27.7Very low26.5Very low173 Ų173146.4 Ų146.480%0.80178%0.776SS**  trans79.5103-176.9-60.4-96000116.9
994L26.4Very low26.2Very low169 Ų169144.2 Ų144.289%0.88577%0.766SS**  -161.5125.3102.6-104.3162.5000111
995N23.7Very low25.9Very low151 Ų151141.2 Ų141.281%0.80775%0.754SS**  trans-89.2134.2169.9-66.1-35.5000109.2
996C23.5Very low25.7Very low129 Ų129141.4 Ų141.487%0.87276%0.759SS**  -162.6139.3127.8-110.90000113.4
997S22.2Very low25.5Very low96 Ų96142.9 Ų142.967%0.67177%0.765SS**  trans-63.7147.7175.449.30000114
998F27.9Very low25.3Very low147 Ų147141.3 Ų141.365%0.64575%0.748SS**  trans-136.4139.4136.8-122.8-85.2000110.5L324 N326L324-F998 HydrophobicContact CD2-CE2 3.9Å; L324-F998 HydrophobicContact CD2-CZ 4.27Å; N326-F998 WeakPolarHBondContact OD1-CE1 3.3Å; N326-F998 VanDerWaalsContact OD1-CZ 3.27Å; N326-F998 WeakPolarHBondContact OD1-CZ 3.47Å
999T27.7Very low25.3Very low101 Ų101140.4 Ų140.462%0.6274%0.744SS**  trans-110.3150.3-17044.60000112.2
1000E23.6Very low25.4Very low178 Ų178140.7 Ų140.783%0.83275%0.746SS**  trans40.3114152.7-60.4-167.8129.100119.7
1001L27.1Very low25.5Very low176 Ų176142 Ų14292%0.92175%0.747SS**  trans-152.4128136.1-113.9164.9000110.7
1002K24.4Very low25.5Very low183 Ų183146 Ų14680%0.79675%0.745SS**  trans-84.3131174.8-60.6166.8-178.41680108.8
1003Q27Very low25.6Very low164 Ų164148.7 Ų148.777%0.76675%0.754SS**  trans167.2120133.7-93.6162.49.400113.3N618N618-Q1003 PolarHBondContact ND2-O 3.48Å
1004S23.7Very low25.5Very low71 Ų71149 Ų14950%0.49775%0.752SS.*  trans60.8133.9151-6.70000121.9N618N618-S1004 VanDerWaalsContact CG-CB 3.42Å; N618-S1004 WeakPolarHBondContact ND2-CB 3.34Å; N618-S1004 PolarHBondContact ND2-O 3.17Å; N618-S1004 VanDerWaalsContact ND2-O 3.12Å; N618-S1004 VanDerWaalsContact OD1-CB 3.25Å; N618-S1004 WeakPolarHBondContact OD1-CB 3.31Å; N618-S1004 PolarHBondContact OD1-OG 3.4Å
1005T24.6Very low25.4Very low70 Ų70151 Ų15143%0.42975%0.748SS.*  trans68.4104.3136.862.70000119.7S617S617-T1005 WeakPolarHBondContact OG-CB 3.47Å; S617-T1005 WeakPolarHBondContact OG-CG2 3.44Å
1006L26.1Very low25.6Very low142 Ų142148.8 Ų148.874%0.74375%0.745SS**  trans-15086.7154.5-119.3142.4000110.4F1009L1006-F1009 HydrophobicContact CD2-CD2 3.79Å; L1006-F1009 HydrophobicContact CD2-CE2 3.98Å
1007K25.1Very low25.6Very low208 Ų208148 Ų14890%0.90474%0.74SS**  trans-106.583.2159.5-87.4-166173.3-170.90107.6
1008N25.4Very low25.9Very low88 Ų88149.4 Ų149.447%0.47175%0.748SS.*  trans-177.589.9172.5-107.3-5.9000108.9Q615Q615-N1008 WeakPolarHBondContact CG-ND2 3.38Å; Q615-N1008 PolarHBondContact NE2-ND2 3.45Å; Q615-N1008 PolarHBondContact OE1-ND2 3.4Å
1009F25.8Very low25.7Very low193 Ų193153 Ų15385%0.84676%0.757SS**  trans-157.669.8163.4-105.2-62.9000111.4L1006L1006-F1009 HydrophobicContact CD2-CD2 3.79Å; L1006-F1009 HydrophobicContact CD2-CE2 3.98Å
1010D25.1Very low25.5Very low147 Ų147155.2 Ų155.279%0.78677%0.765SS**  trans-132150.7157.7-107.2-49.6000110.2
1011H27.9Very low25.7Very low171 Ų171153.1 Ų153.179%0.79276%0.764SS**SBendtrans52.380.1176.4-54.4-61.3000118.7
1012K26.1Very low25.6Very low193 Ų193152.4 Ų152.484%0.83976%0.76SS**  trans-16572.2142.8-112.1156.1-170.4169.80116.9
1013L26.5Very low25.5Very low172 Ų172153.1 Ų153.190%0.90176%0.763SS**  trans-125.877.4154.4-79.9167.5000108
1014K26.8Very low25.5Very low179 Ų179150.7 Ų150.778%0.77876%0.764SS**  46.480.197.9-74.2-165170.9-1710113.7S1016K1014-S1016 PolarHBondContact O-N 3.27Å
1015R23.7Very low25.6Very low212 Ų212156.3 Ų156.380%0.878%0.78SS**  trans-67.7114.7151.5-83.2-177.8167.3170.6-3.9108.1D902D902-R1015 IonicContact OD1-NH2 3.57Å; D902-R1015 PolarHBondContact OD1-NH2 2.98Å; D902-R1015 IonicContact OD2-NH2 3.04Å; D902-R1015 PolarHBondContact OD2-NH2 3.33Å
1016S28.4Very low25.6Very low104 Ų104159.9 Ų159.973%0.72780%0.795SS**  trans-157.3128.4165.555.30000108.9K1014K1014-S1016 PolarHBondContact O-N 3.27Å
1017S23.2Very low25.5Very low112 Ų112160.5 Ų160.578%0.78380%0.798SS**  trans-70.2166.8-170.464.40000113.7
1018P28.2Very low25.3Very low127 Ų127155.1 Ų155.183%0.82579%0.787SS**  -136.3166.483.837.9-25.1000115.7
1019R23Very low25.4Very low223 Ų223157.8 Ų157.884%0.84281%0.806SS**  trans-76.4168.8174.9-66.2170.9163.2153.5-8.3112.8
1020N24.8Very low25.2Very low146 Ų146153.6 Ų153.678%0.78180%0.8SS**  trans106.2155.1151.3-56.2-32.7000117.8
1021V26.3Very low25.1Very low134 Ų134155.2 Ų155.281%0.81280%0.803SS**  trans72.8117.5171.1-171.60000114
1022L25.7Very low25.1Very low162 Ų162155.8 Ų155.885%0.84881%0.811SS**  cis-152154.73.5-124.9170.6000112.6
1023K23Very low24.9Very low197 Ų197152 Ų15286%0.85781%0.809SS**  trans-80.5140.7-178.8-60.6168.8173.6176.10113.8
1024S27.2Very low24.8Very low113 Ų113150.6 Ų150.679%0.7981%0.812SS**  trans168.3147.7144.345.60000110.7
1025K25Very low24.6Very low189 Ų189145 Ų14582%0.82281%0.806SS**  cis-153.7127.6-5.2-113.4170.5-177.6178.90110.1
1026I23.9Very low24.6Very low146 Ų146140.9 Ų140.975%0.74981%0.809SS**  trans24.8128.7136.7-36.8176000120.1
1027L23.6Very low24.4Very low154 Ų154140.9 Ų140.981%0.80681%0.809SS**  trans14894.8132.6-78.3172.1000109.7
1028S22.6Very low24.5Very low95 Ų95142.1 Ų142.166%0.66481%0.806SS**  69.598.371.177.60000116.5
1029V26.2Very low24.2Very low144 Ų144143.9 Ų143.987%0.87381%0.809SS**  trans-144.6116.7141.71780000108.4
1030S22.2Very low24.4Very low105 Ų105137.6 Ų137.673%0.73480%0.799SS**  trans-99.5171155.9540000109
1031Q24Very low24.5Very low181 Ų181138.4 Ų138.485%0.84680%0.802SS**  trans80.3109.2-172.7-51-178.3-5.900116
1032L26.1Very low24.4Very low184 Ų184139.3 Ų139.396%0.96380%0.797SS**  trans-168.8100.3130.8-107.2167.7000108.5
1033S22.4Very low24.4Very low113 Ų113137.6 Ų137.679%0.7980%0.798SS**  trans-111.3121.4-178.455.80000111.6
1034C23.8Very low24.5Very low142 Ų142131.2 Ų131.296%0.95979%0.788SS**  trans-166.6141.4156.6-94.30000106.9
1035G23.6Very low24.4Very low63 Ų63132.2 Ų132.265%0.64979%0.794SS**  cis140.5126.3-2.700000110.9
1036S23.4Very low24.3Very low125 Ų125129.2 Ų129.287%0.87478%0.784SS**  trans70.3151.4176.877.70000118.6
1037S23.9Very low24.5Very low103 Ų103126.1 Ų126.172%0.7278%0.776SS**  trans65.3107.2176.3-147.10000114.8
1038L26.7Very low24.7Very low139 Ų139124.3 Ų124.373%0.72877%0.773SS**  -159.564.865.6-138.3124.5000114S1040L1038-S1040 PolarHBondContact O-N 2.92Å
1039D21.9Very low25Very low164 Ų164122.5 Ų122.588%0.87777%0.77SS**  trans-74.1102.9169.6-59.1-65.4000110.6
1040S25.3Very low25.1Very low90 Ų90121.5 Ų121.563%0.62975%0.753SS**  trans-177.1160.9164.925.50000111.3L1038L1038-S1040 PolarHBondContact O-N 2.92Å
1041I28.4Very low25.4Very low164 Ų164125.8 Ų125.884%0.84175%0.754SS**  trans72.352.9179.9-35.7174.4000114.1
1042Q24.4Very low25.8Very low153 Ų153120.7 Ų120.772%0.71574%0.738SS**  trans-83.2173.1135.9-76.6-166.1-0.800110
1043S25.5Very low26Very low125 Ų125116 Ų11687%0.87471%0.714SS**  trans68.6146.9-17382.60000116
1044G25.6Very low26.4Very low63 Ų63120.7 Ų120.765%0.64971%0.714SS**  trans115.3100.6174.800000115.1M1046G1044-M1046 PolarHBondContact O-N 2.91Å
1045C23.8Very low26.7Very low134 Ų134118.8 Ų118.891%0.90569%0.69SS**  trans-57.6116.4174.4-68.90000112.2
1046M24.1Very low27Very low126 Ų126124 Ų12462%0.62169%0.69SS**  trans-116119.9178.9-72.8-78.194.700111G1044 K1050G1044-M1046 PolarHBondContact O-N 2.91Å; M1046-K1050 HydrophobicContact SD-CD 3.46Å; M1046-K1050 WeakPolarHBondContact SD-CD 3.31Å; M1046-K1050 PolarHBondContact SD-NZ 3.32Å
1047S26.5Very low27.5Very low81 Ų81123 Ų12357%0.56668%0.675SS**  trans-68.8159.2-172.853.10000114G1049 K1050S1047-G1049 PolarHBondContact O-N 3.19Å; S1047-K1050 PolarHBondContact O-N 2.95Å; S1047-K1050 VanDerWaalsContact O-N 3.1Å
1048P28Very low27.9Very low117 Ų117122.2 Ų122.276%0.7666%0.661SS**THydrogen-bonded Turntrans-53.8-30.5-166.7-30.736.7000116K1050 R1051P1048-K1050 PolarHBondContact O-N 3.37Å; P1048-K1050 VanDerWaalsContact O-N 3.14Å; P1048-R1051 PolarHBondContact O-N 3.16Å
1049G28.6Very low28.3Very low57 Ų57116.8 Ų116.859%0.58863%0.632SS**Hα-helixtrans-59.4-23.9179.900000115S1047S1047-G1049 PolarHBondContact O-N 3.19Å
1050K28.9Very low29Very low122 Ų122111.7 Ų111.753%0.5361%0.607SS.*Hα-helixtrans-84.4-23.5-177.3-73.7-176.3176.8-175.80114.8M1046 S1047 P1048 S1052 N1053M1046-K1050 HydrophobicContact SD-CD 3.46Å; M1046-K1050 WeakPolarHBondContact SD-CD 3.31Å; M1046-K1050 PolarHBondContact SD-NZ 3.32Å; S1047-K1050 PolarHBondContact O-N 2.95Å; S1047-K1050 VanDerWaalsContact O-N 3.1Å; P1048-K1050 PolarHBondContact O-N 3.37Å; P1048-K1050 VanDerWaalsContact O-N 3.14Å; K1050-S1052 VanDerWaalsContact C-N 3.28Å; K1050-S1052 PolarHBondContact O-N 3.42Å; K1050-N1053 PolarHBondContact O-N 2.98Å
1051R28.9Very low29.6Very low196 Ų196110 Ų11074%0.7459%0.591SS**Hα-helixtrans-64.7-33.2175.6-86.2-174.8171.2177.3-2.4112.2P1048 N1053 F1055P1048-R1051 PolarHBondContact O-N 3.16Å; R1051-N1053 PolarHBondContact O-N 3.48Å; R1051-F1055 PolarHBondContact O-N 3.21Å
1052S31.7Very low30.4Very low74 Ų74102.7 Ų102.752%0.51756%0.555SS.*Hα-helixtrans-54.8-47.2176.7-176.80000112.7K1050 F1055 R1056K1050-S1052 VanDerWaalsContact C-N 3.28Å; K1050-S1052 PolarHBondContact O-N 3.42Å; S1052-F1055 PolarHBondContact O-N 2.8Å; S1052-R1056 PolarHBondContact O-N 3.09Å
1053N31Very low31.4Very low86 Ų8697.3 Ų97.346%0.4653%0.53SS..Hα-helixtrans-70.2-45.3-173.8-70.2-12000112.9K1050 R1051 F1055 R1056 D1057K1050-N1053 PolarHBondContact O-N 2.98Å; R1051-N1053 PolarHBondContact O-N 3.48Å; N1053-F1055 PolarHBondContact O-N 2.91Å; N1053-R1056 WeakPolarHBondContact O-CA 3.14Å; N1053-R1056 WeakPolarHBondContact O-CB 3.22Å; N1053-R1056 PolarHBondContact O-N 3.28Å; N1053-D1057 PolarHBondContact O-N 2.7Å
1054R29.9Very low32.4Very low211 Ų21193.9 Ų93.980%0.79650%0.498SS*.Hα-helixtrans-59.9-34176.2-92.2-170.6174.9-179.4-0.6112.8M1058R1054-M1058 WeakPolarHBondContact O-CB 3.23Å; R1054-M1058 PolarHBondContact O-N 3.34Å; R1054-M1058 VanDerWaalsContact O-N 3.08Å
1055F31.1Very low33.2Very low102 Ų10293.4 Ų93.445%0.44748%0.484SS..Hα-helixtrans-72.1-33.5174.7-124.9-91.3000112.4P823 R1051 S1052 N1053 M1058 L1059P823-F1055 HydrophobicContact CG-CE1 4.49Å; R1051-F1055 PolarHBondContact O-N 3.21Å; S1052-F1055 PolarHBondContact O-N 2.8Å; N1053-F1055 PolarHBondContact O-N 2.91Å; F1055-M1058 HydrophobicContact CD1-CE 4.07Å; F1055-M1058 HydrophobicContact CD2-CE 4.01Å; F1055-M1058 HydrophobicContact CE1-CE 3.72Å; F1055-M1058 HydrophobicContact CE2-CE 3.65Å; F1055-M1058 HydrophobicContact CG-CE 4.21Å; F1055-M1058 HydrophobicContact CZ-CE 3.5Å; F1055-M1058 PolarHBondContact O-N 3.02Å; F1055-L1059 HydrophobicContact CD1-CD1 3.82Å; F1055-L1059 HydrophobicContact CD1-CG 4.46Å; F1055-L1059 HydrophobicContact CE1-CD1 4.29Å; F1055-L1059 WeakPolarHBondContact O-CG 3.4Å; F1055-L1059 PolarHBondContact O-N 2.86Å
1056R29.7Very low34Very low172 Ų17288.5 Ų88.565%0.64945%0.448SS*.Hα-helixtrans-61-45.2172.1-150175.2-164.2157.93.4111.3S1052 N1053 M1058 L1059 T1060S1052-R1056 PolarHBondContact O-N 3.09Å; N1053-R1056 WeakPolarHBondContact O-CA 3.14Å; N1053-R1056 WeakPolarHBondContact O-CB 3.22Å; N1053-R1056 PolarHBondContact O-N 3.28Å; R1056-M1058 VanDerWaalsContact C-N 3.32Å; R1056-M1058 PolarHBondContact O-N 3.23Å; R1056-L1059 PolarHBondContact O-N 3.33Å; R1056-T1060 WeakPolarHBondContact O-CG2 3.36Å; R1056-T1060 PolarHBondContact O-N 2.91Å
1057D33.2Very low34.6Very low103 Ų10386 Ų8655%0.55144%0.442SS*.Hα-helixtrans-72.1-24.5178.6-57-34.5000112.8N1053 T1060N1053-D1057 PolarHBondContact O-N 2.7Å; D1057-T1060 PolarHBondContact O-OG1 2.97Å
1058M33.3Very low35.1Very low88 Ų8886.9 Ų86.943%0.43344%0.44SS..Hα-helixtrans-76.6-25.2174.5-164.816969.100112.8R1054 F1055 R1056R1054-M1058 WeakPolarHBondContact O-CB 3.23Å; R1054-M1058 PolarHBondContact O-N 3.34Å; R1054-M1058 VanDerWaalsContact O-N 3.08Å; F1055-M1058 HydrophobicContact CD1-CE 4.07Å; F1055-M1058 HydrophobicContact CD2-CE 4.01Å; F1055-M1058 HydrophobicContact CE1-CE 3.72Å; F1055-M1058 HydrophobicContact CE2-CE 3.65Å; F1055-M1058 HydrophobicContact CG-CE 4.21Å; F1055-M1058 HydrophobicContact CZ-CE 3.5Å; F1055-M1058 PolarHBondContact O-N 3.02Å; R1056-M1058 VanDerWaalsContact C-N 3.32Å; R1056-M1058 PolarHBondContact O-N 3.23Å
1059L34.2Very low35.2Very low24 Ų2491.3 Ų91.313%0.12645%0.451CS..Hα-helixtrans-1060.4-175.8-66.4169.4000114.5P823 I824 F1055 R1056 N1061P823-L1059 HydrophobicContact CB-CD1 4.27Å; P823-L1059 HydrophobicContact CG-CD1 3.52Å; P823-L1059 HydrophobicContact CG-CD2 4.29Å; I824-L1059 HydrophobicContact CG1-CD2 4.14Å; F1055-L1059 HydrophobicContact CD1-CD1 3.82Å; F1055-L1059 HydrophobicContact CD1-CG 4.46Å; F1055-L1059 HydrophobicContact CE1-CD1 4.29Å; F1055-L1059 WeakPolarHBondContact O-CG 3.4Å; F1055-L1059 PolarHBondContact O-N 2.86Å; R1056-L1059 PolarHBondContact O-N 3.33Å; L1059-N1061 PolarHBondContact O-N 3.43Å
1060T36.9Very low35.2Very low57 Ų5790.9 Ų90.935%0.3545%0.446SS..SBendtrans-73.9-11.3168.940.20000113.4R1056 D1057R1056-T1060 WeakPolarHBondContact O-CG2 3.36Å; R1056-T1060 PolarHBondContact O-N 2.91Å; D1057-T1060 PolarHBondContact O-OG1 2.97Å
1061N37.9Very low35.2Very low56 Ų5689.2 Ų89.230%0.29946%0.464SS..  trans-79.3122176.6-74.2-64.9000111.7L1059 P1065 L1066L1059-N1061 PolarHBondContact O-N 3.43Å; N1061-P1065 HydrophobicContact CB-CB 4.41Å; N1061-P1065 VanDerWaalsContact OD1-CA 3.28Å; N1061-P1065 WeakPolarHBondContact OD1-CA 3.31Å; N1061-P1065 WeakPolarHBondContact OD1-CB 3.49Å; N1061-L1066 PolarHBondContact OD1-N 3.45Å
1062S44.9Very low35.4Very low10 Ų1088.9 Ų88.97%0.0747%0.468CS..  trans-52.4168.3152.927.20000111.7E888 W1064 R1157E888-S1062 WeakPolarHBondContact OE2-CB 3.44Å; S1062-W1064 CarbonylContact C-O 3.59Å; S1062-W1064 WeakPolarHBondContact CB-O 3.44Å; S1062-W1064 CarbonylContact O-C 3.03Å; S1062-W1064 VanDerWaalsContact O-C 3.32Å; S1062-W1064 PolarHBondContact O-N 3.01Å; S1062-W1064 PolarHBondContact OG-O 3.25Å; S1062-R1157 VanDerWaalsContact CB-NH1 3.29Å; S1062-R1157 PolarHBondContact OG-NH1 2.97Å
1063L45.3Very low35.6Very low39 Ų3995 Ų9520%0.20449%0.486CS..SBendtrans-55.8-23.1173.4-84.980000112.2P885 E888 I1078 L1081P885-L1063 HydrophobicContact CB-CD1 4.01Å; P885-L1063 WeakPolarHBondContact O-CD1 3.32Å; E888-L1063 HydrophobicContact CB-CD1 4.43Å; L1063-I1078 WeakPolarHBondContact O-CD1 3.27Å; L1063-L1081 HydrophobicContact CD2-CD1 3.87Å
1064W46.3Very low36.1Very low53 Ų5397.6 Ų97.620%0.20149%0.489CS..SBendtrans-98.7109.8166.2-59.178.6000108S1062 I1082 P1101S1062-W1064 CarbonylContact C-O 3.59Å; S1062-W1064 WeakPolarHBondContact CB-O 3.44Å; S1062-W1064 CarbonylContact O-C 3.03Å; S1062-W1064 VanDerWaalsContact O-C 3.32Å; S1062-W1064 PolarHBondContact O-N 3.01Å; S1062-W1064 PolarHBondContact OG-O 3.25Å; W1064-I1082 HydrophobicContact CH2-CD1 4.28Å; W1064-I1082 HydrophobicContact CH2-CG1 4.13Å; W1064-P1101 HydrophobicContact CZ2-CB 4.02Å; W1064-P1101 HydrophobicContact CZ2-CG 3.66Å
1065P43.9Very low36.9Very low54 Ų5490.2 Ų90.235%0.35147%0.47SS..  trans-72.2142.6-174.628.3-34.5000111.7N1061 P1067N1061-P1065 HydrophobicContact CB-CB 4.41Å; N1061-P1065 VanDerWaalsContact OD1-CA 3.28Å; N1061-P1065 WeakPolarHBondContact OD1-CA 3.31Å; N1061-P1065 WeakPolarHBondContact OD1-CB 3.49Å; P1065-P1067 WeakPolarHBondContact O-CD 3.4Å
1066L40.4Very low37.2Very low30 Ų3096.5 Ų96.516%0.15749%0.49CS..  trans-83.1112.6171.7-62.6167.1000107.2N1061 D1068 A1150 R1153N1061-L1066 PolarHBondContact OD1-N 3.45Å; L1066-D1068 PolarHBondContact O-N 3.43Å; L1066-A1150 HydrophobicContact CD1-CB 4.38Å; L1066-R1153 HydrophobicContact CD2-CB 3.74Å; L1066-R1153 HydrophobicContact CD2-CG 4.32Å
1067P36.3Very low37.6Very low75 Ų7593.7 Ų93.749%0.48749%0.488SS..  trans-76.894.7-170.928-33.4000112P1065 P1097 R1153P1065-P1067 WeakPolarHBondContact O-CD 3.4Å; P1067-P1097 HydrophobicContact CG-CG 4.02Å; P1067-R1153 PolarHBondContact O-NH2 3.41Å
1068D37.2Very low38.3Very low98 Ų9890.4 Ų90.452%0.52447%0.47SS..  trans-114.4114.4171.9-70.8-9.8000110.3L1066 G1070 R1153L1066-D1068 PolarHBondContact O-N 3.43Å; D1068-G1070 PolarHBondContact O-N 3.25Å; D1068-R1153 IonicContact OD1-CZ 3.99Å; D1068-R1153 IonicContact OD1-NH1 3.98Å; D1068-R1153 PolarHBondContact OD1-NH1 2.89Å; D1068-R1153 IonicContact OD1-NH2 3.22Å
1069Q29.9Very low38.6Very low210 Ų21089.2 Ų89.298%0.98147%0.465SS*.SBendtrans38.158.6159.8-56.8-170.21.700119.2
1070G29.3Very low39Very low48 Ų4891.7 Ų91.750%0.49548%0.484SS..SBendtrans153.3115.415100000117.4D1068 F1072D1068-G1070 PolarHBondContact O-N 3.25Å; G1070-F1072 VanDerWaalsContact C-N 3.28Å; G1070-F1072 WeakPolarHBondContact O-CD2 2.91Å; G1070-F1072 PolarHBondContact O-N 3.26Å
1071G27.8Very low39.3Very low88 Ų8891.1 Ų91.191%0.90748%0.479SS*.  trans56.1-9.5143.200000123.1K1073G1071-K1073 PolarHBondContact O-N 2.96Å
1072F34Very low39.5Very low189 Ų18990 Ų9083%0.82947%0.472SS*.PPolyproline II helixtrans-69.1118.1-166.3-79.6-73.4000114.5G1070G1070-F1072 VanDerWaalsContact C-N 3.28Å; G1070-F1072 WeakPolarHBondContact O-CD2 2.91Å; G1070-F1072 PolarHBondContact O-N 3.26Å
1073K36.2Very low39.4Very low202 Ų20295.4 Ų95.488%0.87850%0.501SS*.PPolyproline II helixtrans-67.3138.3168.2-65.1175.9-179.6173.10110G1071G1071-K1073 PolarHBondContact O-N 2.96Å
1074R40.8Very low39.2Very low140 Ų14096 Ų9653%0.52851%0.508SS..PPolyproline II helixtrans-59.8142.7173.6-68-179.2-179.5170.70.2110.7N1079R1074-N1079 WeakPolarHBondContact CB-OD1 3.27Å; R1074-N1079 WeakPolarHBondContact CD-OD1 3.05Å
1075S46.1Very low39.1Very low56 Ų5695 Ų9539%0.39251%0.509SS..PPolyproline II helixtrans-69.3152.4175.876.50000111.7L1077 I1078 N1079S1075-L1077 PolarHBondContact O-N 3.49Å; S1075-I1078 PolarHBondContact O-N 3.39Å; S1075-I1078 WeakPolarHBondContact OG-CG1 3.37Å; S1075-I1078 PolarHBondContact OG-N 3.46Å; S1075-N1079 PolarHBondContact O-N 3Å; S1075-N1079 VanDerWaalsContact O-N 3.16Å
1076R37.7Very low39Very low234 Ų23496.8 Ų96.888%0.88351%0.512SS*.Hα-helixtrans-54.4-35.6176.2-69.9-175.6179.6173.50.7111.9N1079 S1080R1076-N1079 PolarHBondContact O-N 3.3Å; R1076-S1080 PolarHBondContact O-N 3.46Å
1077L39.3Very low39Very low113 Ų113104.5 Ų104.559%0.59254%0.544SS*.Hα-helixtrans-60-48.8173.9-89.5162.6000112.8S1075 N1079 S1080 L1081S1075-L1077 PolarHBondContact O-N 3.49Å; L1077-N1079 VanDerWaalsContact C-N 3.34Å; L1077-N1079 PolarHBondContact O-N 2.97Å; L1077-S1080 PolarHBondContact O-N 2.98Å; L1077-L1081 WeakPolarHBondContact O-CG 2.91Å; L1077-L1081 PolarHBondContact O-N 2.89Å
1078I45.9Very low39Very low34 Ų34107 Ų10717%0.17455%0.553CS.*Hα-helixtrans-63.8-41.5-179.7-67.9165.1000110.6L1063 S1075 S1080 L1081 I1082L1063-I1078 WeakPolarHBondContact O-CD1 3.27Å; S1075-I1078 PolarHBondContact O-N 3.39Å; S1075-I1078 WeakPolarHBondContact OG-CG1 3.37Å; S1075-I1078 PolarHBondContact OG-N 3.46Å; I1078-S1080 PolarHBondContact O-N 2.98Å; I1078-L1081 PolarHBondContact O-N 3.37Å; I1078-I1082 HydrophobicContact CG2-CD1 3.76Å; I1078-I1082 HydrophobicContact CG2-CG1 4.46Å; I1078-I1082 WeakPolarHBondContact O-CG1 3.35Å; I1078-I1082 PolarHBondContact O-N 2.78Å
1079N40.1Very low39.1Very low63 Ų63110.3 Ų110.334%0.33757%0.571SS.*Hα-helixtrans-64.8-38.9177.1-69.2-11.6000112.1R1074 S1075 R1076 L1077 I1082 N1083R1074-N1079 WeakPolarHBondContact CB-OD1 3.27Å; R1074-N1079 WeakPolarHBondContact CD-OD1 3.05Å; S1075-N1079 PolarHBondContact O-N 3Å; S1075-N1079 VanDerWaalsContact O-N 3.16Å; R1076-N1079 PolarHBondContact O-N 3.3Å; L1077-N1079 VanDerWaalsContact C-N 3.34Å; L1077-N1079 PolarHBondContact O-N 2.97Å; N1079-I1082 PolarHBondContact O-N 3.32Å; N1079-N1083 VanDerWaalsContact O-CB 3.3Å; N1079-N1083 WeakPolarHBondContact O-CB 3.49Å; N1079-N1083 PolarHBondContact O-N 3.48Å; N1079-N1083 PolarHBondContact O-OD1 3.5Å
1080S43.4Very low39.4Very low76 Ų76106.1 Ų106.153%0.53156%0.555SS.*Hα-helixtrans-63.4-41.4174.4-1730000112.5R1076 L1077 I1078 S1084R1076-S1080 PolarHBondContact O-N 3.46Å; L1077-S1080 PolarHBondContact O-N 2.98Å; I1078-S1080 PolarHBondContact O-N 2.98Å; S1080-S1084 WeakPolarHBondContact O-CB 3.4Å; S1080-S1084 PolarHBondContact O-N 2.99Å; S1080-S1084 PolarHBondContact O-OG 2.74Å
1081L42.1Very low39.7Very low46 Ų46108.7 Ų108.724%0.24157%0.572CS.*Hα-helixtrans-70-29.7177.9-68.6171.3000113.6I893 L1063 L1077 I1078 S1084I893-L1081 HydrophobicContact CD1-CD1 4.08Å; I893-L1081 HydrophobicContact CD1-CD2 3.85Å; I893-L1081 HydrophobicContact CG1-CD2 4.05Å; I893-L1081 HydrophobicContact CG2-CD2 3.98Å; L1063-L1081 HydrophobicContact CD2-CD1 3.87Å; L1077-L1081 WeakPolarHBondContact O-CG 2.91Å; L1077-L1081 PolarHBondContact O-N 2.89Å; I1078-L1081 PolarHBondContact O-N 3.37Å; L1081-S1084 PolarHBondContact O-OG 3.5Å
1082I43.9Very low40.2Very low31 Ų31109.8 Ų109.816%0.15957%0.565CS.*Hα-helixtrans-77-49.9174.7-68.6169.9000110.5W1064 I1078 N1079 S1084 S1085 F1086W1064-I1082 HydrophobicContact CH2-CD1 4.28Å; W1064-I1082 HydrophobicContact CH2-CG1 4.13Å; I1078-I1082 HydrophobicContact CG2-CD1 3.76Å; I1078-I1082 HydrophobicContact CG2-CG1 4.46Å; I1078-I1082 WeakPolarHBondContact O-CG1 3.35Å; I1078-I1082 PolarHBondContact O-N 2.78Å; N1079-I1082 PolarHBondContact O-N 3.32Å; I1082-S1084 PolarHBondContact O-N 3.47Å; I1082-S1084 VanDerWaalsContact O-N 3.17Å; I1082-S1085 PolarHBondContact O-N 2.94Å; I1082-S1085 VanDerWaalsContact O-N 3.12Å; I1082-F1086 PolarHBondContact O-N 3.05Å
1083N40.9Very low40.4Very low124 Ų124109.8 Ų109.866%0.66357%0.565SS**Hα-helixtrans-68-15.8-174.4-67.43.8000113.9N1079N1079-N1083 VanDerWaalsContact O-CB 3.3Å; N1079-N1083 WeakPolarHBondContact O-CB 3.49Å; N1079-N1083 PolarHBondContact O-N 3.48Å; N1079-N1083 PolarHBondContact O-OD1 3.5Å
1084S43Very low40.4Very low52 Ų52105.4 Ų105.436%0.36455%0.55SS.*THydrogen-bonded Turntrans-88.2-16.5175.747.10000114.1S1080 L1081 I1082S1080-S1084 WeakPolarHBondContact O-CB 3.4Å; S1080-S1084 PolarHBondContact O-N 2.99Å; S1080-S1084 PolarHBondContact O-OG 2.74Å; L1081-S1084 PolarHBondContact O-OG 3.5Å; I1082-S1084 PolarHBondContact O-N 3.47Å; I1082-S1084 VanDerWaalsContact O-N 3.17Å
1085S43Very low40.3Very low31 Ų31104.6 Ų104.622%0.21757%0.565CS.*THydrogen-bonded Turntrans-100.2-29-175.2-160.90000113.4I1082I1082-S1085 PolarHBondContact O-N 2.94Å; I1082-S1085 VanDerWaalsContact O-N 3.12Å
1086F41.7Very low40.6Very low93 Ų93104.7 Ų104.741%0.40856%0.561SS.*  trans-115.5123.1-178.8-68-87.8000111.5I1082I1082-F1086 PolarHBondContact O-N 3.05Å
1087K40.3Very low41.3Very low192 Ų19295.6 Ų95.684%0.83553%0.532SS*.  trans-112.421.2178.1-77.1-167.3172.8-174.70113.7
1088D37.6Very low42.2Very low128 Ų12891.1 Ų91.168%0.68451%0.509SS*.  trans-102.2126.7178.6-62.8-42.9000110.8N1090D1088-N1090 PolarHBondContact O-N 3.27Å
1089D38.4Very low43Very low167 Ų16793.2 Ų93.289%0.89352%0.519SS*.SBendtrans-67.111.1-172.6-61.3-57.4000115.6A1091D1089-A1091 PolarHBondContact O-N 3.19Å
1090N36.6Very low44.5Very low122 Ų12291.2 Ų91.265%0.65251%0.509SS*.  trans-94.144.8-173-72.5-69.7000113.6D1088 S1092D1088-N1090 PolarHBondContact O-N 3.27Å; N1090-S1092 PolarHBondContact O-N 3.27Å
1091A35.1Very low45.8Very low102 Ų10288.1 Ų88.184%0.84349%0.487SS*.THydrogen-bonded Turntrans-62-4.4-173.600000116.4D1089D1089-A1091 PolarHBondContact O-N 3.19Å
1092S38.6Very low47.1Very low110 Ų11088.8 Ų88.877%0.76949%0.494SS*.THydrogen-bonded Turntrans-96.2-0.5-172.258.40000116.1N1090N1090-S1092 PolarHBondContact O-N 3.27Å
1093K38.6Very low48.6Very low189 Ų18988.5 Ų88.582%0.82249%0.492SS*.SBendtrans-120.5-3.1-174-81.1-176.3175175.70117
1094I35.8Very low50.1Low111 Ų11183.7 Ų83.757%0.56947%0.468SS*.  trans-10484.6-177.4-51.9-179.8000109.8I1099I1094-I1099 HydrophobicContact CG2-CD1 4.4Å
1095C38.8Very low51.2Low123 Ų12390.6 Ų90.683%0.83149%0.494SS*.  trans-119.111.5-174.7-155.80000114.4
1096D51.3Low52.4Low57 Ų5791 Ų9131%0.30549%0.492SS..  trans-97.4109.5170.5175.810.5000109.6D1098 I1099 R1160D1096-D1098 PolarHBondContact O-N 3.04Å; D1096-D1098 WeakPolarHBondContact OD1-CB 3.19Å; D1096-D1098 PolarHBondContact OD1-N 3.34Å; D1096-I1099 HydrophobicContact CB-CD1 3.88Å; D1096-I1099 HydrophobicContact CB-CG1 3.95Å; D1096-I1099 PolarHBondContact O-N 2.91Å; D1096-R1160 IonicContact OD1-NH1 2.73Å; D1096-R1160 IonicContact OD2-CZ 2.69Å; D1096-R1160 VanDerWaalsContact OD2-CZ 3.25Å; D1096-R1160 IonicContact OD2-NH1 2.82Å; D1096-R1160 PolarHBondContact OD2-NH1 2.87Å; D1096-R1160 IonicContact OD2-NH2 3.18Å; D1096-R1160 PolarHBondContact OD2-NH2 2.96Å
1097P52Low53.5Low43 Ų4387.8 Ų87.828%0.27948%0.48SS..THydrogen-bonded Turntrans-72.4-12.2-178.731.7-35.8000113.6P1067 I1099P1067-P1097 HydrophobicContact CG-CG 4.02Å; P1097-I1099 PolarHBondContact O-N 2.89Å
1098D58.7Low54.8Low19 Ų1982 Ų8210%0.10246%0.463CS..THydrogen-bonded Turntrans-83.22.5177.3-64.8-33.7000111.9D1096 L1100 L1156 R1160D1096-D1098 PolarHBondContact O-N 3.04Å; D1096-D1098 WeakPolarHBondContact OD1-CB 3.19Å; D1096-D1098 PolarHBondContact OD1-N 3.34Å; D1098-L1100 PolarHBondContact O-N 3.49Å; D1098-L1156 HydrophobicContact CB-CD2 4.36Å; D1098-R1160 WeakPolarHBondContact O-CD 3.47Å; D1098-R1160 PolarHBondContact O-NH1 3.19Å
1099I63.8Low56.4Low79 Ų7976.2 Ų76.241%0.40543%0.432SS..PPolyproline II helixtrans-76.4119.3175-64.7177.2000109.3I1094 D1096 P1097I1094-I1099 HydrophobicContact CG2-CD1 4.4Å; D1096-I1099 HydrophobicContact CB-CD1 3.88Å; D1096-I1099 HydrophobicContact CB-CG1 3.95Å; D1096-I1099 PolarHBondContact O-N 2.91Å; P1097-I1099 PolarHBondContact O-N 2.89Å
1100L71.6Confident58.3Low21 Ų2169 Ų6911%0.1139%0.393CS..PPolyproline II helixtrans-73.8134.6175.1-61.9177.2000110.5F892 D1098 R1157 R1160 F1161F892-L1100 HydrophobicContact CE1-CB 4.19Å; F892-L1100 HydrophobicContact CE1-CD2 4.49Å; F892-L1100 HydrophobicContact CE2-CD2 4.23Å; F892-L1100 HydrophobicContact CZ-CB 4.31Å; F892-L1100 HydrophobicContact CZ-CD1 4.28Å; F892-L1100 HydrophobicContact CZ-CD2 3.81Å; F892-L1100 HydrophobicContact CZ-CG 4.36Å; D1098-L1100 PolarHBondContact O-N 3.49Å; L1100-R1157 HydrophobicContact CD2-CG 3.79Å; L1100-R1160 HydrophobicContact CD1-CB 4.14Å; L1100-R1160 HydrophobicContact CG-CB 4.49Å; L1100-F1161 HydrophobicContact CD1-CB 3.74Å; L1100-F1161 HydrophobicContact CD1-CD2 4.17Å; L1100-F1161 HydrophobicContact CD1-CG 4.49Å
1101P70.1Confident60.3Low11 Ų1167.5 Ų67.57%0.07139%0.385CS..PPolyproline II helixtrans-70.6160.2172.732.9-37.2000111F892 W1064 I1103F892-P1101 HydrophobicContact CB-CG 3.71Å; F892-P1101 HydrophobicContact CD1-CG 3.59Å; F892-P1101 WeakPolarHBondContact CD1-O 3.31Å; F892-P1101 HydrophobicContact CE1-CG 4.37Å; F892-P1101 HydrophobicContact CG-CG 3.72Å; W1064-P1101 HydrophobicContact CZ2-CB 4.02Å; W1064-P1101 HydrophobicContact CZ2-CG 3.66Å; P1101-I1103 PolarHBondContact O-N 3.26Å
1102P68.6Low62.6Low60 Ų6064 Ų6439%0.3935%0.353SS..PPolyproline II helixtrans-63126.8-177.125.2-34.7000112.1
1103I76.6Confident64.8Low25 Ų2560.2 Ų60.213%0.12833%0.327CS..PPolyproline II helixtrans-64.6127175-60.9179000109.4I891 F892 P1101 Y1106 F1161 H1164 A1167I891-I1103 HydrophobicContact CG2-CD1 4.37Å; I891-I1103 HydrophobicContact CG2-CG1 4.25Å; F892-I1103 HydrophobicContact CD1-CG1 4.27Å; F892-I1103 HydrophobicContact CE1-CG1 3.87Å; P1101-I1103 PolarHBondContact O-N 3.26Å; I1103-Y1106 HydrophobicContact CG2-CE2 3.56Å; I1103-F1161 HydrophobicContact CD1-CD2 4.49Å; I1103-F1161 HydrophobicContact CD1-CE2 3.94Å; I1103-H1164 WeakPolarHBondContact CD1-ND1 3.37Å; I1103-A1167 HydrophobicContact CD1-CB 4.28Å
1104P71Confident67.1Low23 Ų2352.3 Ų52.315%0.14929%0.293CS..PPolyproline II helixtrans-80.9169.3-175.135.6-36.7000112.8I891 Q894 Y1106I891-P1104 WeakPolarHBondContact O-CD 3.35Å; Q894-P1104 HydrophobicContact CG-CB 4.01Å; P1104-Y1106 PolarHBondContact O-N 2.94Å
1105Q67.7Low69.5Low197 Ų19747.6 Ų47.692%0.92127%0.27SS*.  trans-72.8112.5170-66.1-175.64.100110.2
1106Y68.5Low71.9Confident40 Ų4041.8 Ų41.816%0.15723%0.23CC..  trans-76.5144.8179.9-63.4-81000113I891 I1103 P1104 I1110 V1112 H1116I891-Y1106 VanDerWaalsContact CA-OH 3.32Å; I891-Y1106 WeakPolarHBondContact CA-OH 3.48Å; I891-Y1106 PolarHBondContact O-OH 3.36Å; I1103-Y1106 HydrophobicContact CG2-CE2 3.56Å; P1104-Y1106 PolarHBondContact O-N 2.94Å; Y1106-I1110 HydrophobicContact CD1-CD1 4.13Å; Y1106-I1110 HydrophobicContact CD1-CG2 4.44Å; Y1106-V1112 HydrophobicContact CD2-CB 4.2Å; Y1106-V1112 HydrophobicContact CD2-CG1 3.75Å; Y1106-V1112 HydrophobicContact CD2-CG2 3.36Å; Y1106-V1112 HydrophobicContact CE2-CB 4.36Å; Y1106-V1112 HydrophobicContact CE2-CG1 3.52Å; Y1106-V1112 HydrophobicContact CE2-CG2 3.97Å; Y1106-V1112 HydrophobicContact CG-CG2 3.69Å; Y1106-H1116 AromaticContact CE2-CE1 3.98Å; Y1106-H1116 AromaticContact CE2-NE2 3.67Å; Y1106-H1116 AromaticContact CZ-NE2 3.63Å; Y1106-H1116 PolarHBondContact OH-NE2 3.47Å
1107P64.9Low73.8Confident24 Ų2439.2 Ų39.216%0.15622%0.217CC..  trans-57.8140.4163.8-23.834.3000112.3T838 Y841 Y1109 I1110T838-P1107 HydrophobicContact CG2-CG 4.14Å; Y841-P1107 HydrophobicContact CD1-CB 4.19Å; Y841-P1107 HydrophobicContact CE1-CB 4.34Å; P1107-Y1109 HydrophobicContact CB-CD1 3.5Å; P1107-Y1109 VanDerWaalsContact CB-CD1 3.5Å; P1107-Y1109 HydrophobicContact CB-CE1 3.36Å; P1107-Y1109 HydrophobicContact CG-CE1 3.95Å; P1107-Y1109 PolarHBondContact O-N 2.89Å; P1107-I1110 PolarHBondContact O-N 3.46Å; P1107-I1110 VanDerWaalsContact O-N 3.09Å
1108S65.9Low75.5Confident71 Ų7140.5 Ų40.550%0.49722%0.216SC..THydrogen-bonded Turntrans-71.919.6-173.276.40000116.6Y841 K857Y841-S1108 PolarHBondContact OH-OG 3Å; K857-S1108 WeakPolarHBondContact CE-OG 3.45Å; K857-S1108 PolarHBondContact NZ-OG 3.34Å
1109Y72.7Confident77Confident7 Ų739.6 Ų39.63%0.02721%0.211CC..THydrogen-bonded Turntrans-105.3-5.9168.474-91.5000113.2T838 Y841 F860 C864 P1107T838-Y1109 WeakPolarHBondContact CA-OH 3.49Å; T838-Y1109 PolarHBondContact N-OH 2.94Å; T838-Y1109 PolarHBondContact OG1-OH 3.48Å; Y841-Y1109 AromaticContact CD1-CD1 3.82Å; Y841-Y1109 HydrophobicContact CD1-CD1 3.82Å; Y841-Y1109 HydrophobicContact CD1-CE1 4.07Å; Y841-Y1109 AromaticContact CD2-CD1 3.35Å; Y841-Y1109 HydrophobicContact CD2-CD1 3.35Å; Y841-Y1109 HydrophobicContact CD2-CE1 4.1Å; Y841-Y1109 AromaticContact CD2-CG 3.93Å; Y841-Y1109 HydrophobicContact CD2-CG 3.93Å; Y841-Y1109 HydrophobicContact CE1-CD1 4.29Å; Y841-Y1109 AromaticContact CE2-CD1 3.86Å; Y841-Y1109 HydrophobicContact CE2-CD1 3.86Å; Y841-Y1109 HydrophobicContact CE2-CG 4.32Å; Y841-Y1109 AromaticContact CG-CD1 3.33Å; Y841-Y1109 HydrophobicContact CG-CD1 3.33Å; Y841-Y1109 AromaticContact CG-CE1 3.64Å; Y841-Y1109 HydrophobicContact CG-CE1 3.64Å; Y841-Y1109 HydrophobicContact CG-CG 4.32Å; F860-Y1109 HydrophobicContact CD1-CD2 4.12Å; F860-Y1109 HydrophobicContact CD1-CG 4.01Å; F860-Y1109 AromaticContact CE1-CD1 3.99Å; F860-Y1109 HydrophobicContact CE1-CD1 3.99Å; F860-Y1109 AromaticContact CE1-CD2 3.62Å; F860-Y1109 HydrophobicContact CE1-CD2 3.62Å; F860-Y1109 HydrophobicContact CE1-CE1 4.25Å; F860-Y1109 AromaticContact CE1-CE2 3.91Å; F860-Y1109 HydrophobicContact CE1-CE2 3.91Å; F860-Y1109 AromaticContact CE1-CG 3.67Å; F860-Y1109 HydrophobicContact CE1-CG 3.67Å; C864-Y1109 HydrophobicContact CB-CD2 3.92Å; C864-Y1109 HydrophobicContact CB-CE2 4.19Å; P1107-Y1109 HydrophobicContact CB-CD1 3.5Å; P1107-Y1109 VanDerWaalsContact CB-CD1 3.5Å; P1107-Y1109 HydrophobicContact CB-CE1 3.36Å; P1107-Y1109 HydrophobicContact CG-CE1 3.95Å; P1107-Y1109 PolarHBondContact O-N 2.89Å
1110I76.5Confident78.3Confident14 Ų1435.8 Ų35.87%0.07219%0.192CC..SBendtrans-92.8121.9177.3-55.9-173.6000108.5Y1106 P1107 V1112 V1115Y1106-I1110 HydrophobicContact CD1-CD1 4.13Å; Y1106-I1110 HydrophobicContact CD1-CG2 4.44Å; P1107-I1110 PolarHBondContact O-N 3.46Å; P1107-I1110 VanDerWaalsContact O-N 3.09Å; I1110-V1112 VanDerWaalsContact C-N 3.26Å; I1110-V1112 PolarHBondContact O-N 2.59Å; I1110-V1115 HydrophobicContact CG2-CG2 4.18Å
1111D79.8Confident79.2Confident91 Ų9135.8 Ų35.849%0.48719%0.192SC..  trans-72.488.1164.3-174.3-11.3000109.1C1113 D1114 V1115D1111-C1113 PolarHBondContact O-N 3.29Å; D1111-C1113 WeakPolarHBondContact OD1-CA 3.45Å; D1111-C1113 VanDerWaalsContact OD1-CB 3.28Å; D1111-C1113 WeakPolarHBondContact OD1-CB 3.46Å; D1111-C1113 PolarHBondContact OD1-N 3.12Å; D1111-D1114 HydrophobicContact CB-CB 4.14Å; D1111-D1114 PolarHBondContact O-N 2.71Å; D1111-D1114 PolarHBondContact OD1-N 3.3Å; D1111-D1114 WeakPolarHBondContact OD2-CB 3.44Å; D1111-V1115 WeakPolarHBondContact O-CG2 3.32Å; D1111-V1115 PolarHBondContact O-N 2.93Å
1112V83.3Confident80Confident29 Ų2936 Ų3618%0.17620%0.195CC..Hα-helixtrans-55.1-37.2176.5-177.30000111.1Y1106 I1110 H1116 N1168Y1106-V1112 HydrophobicContact CD2-CB 4.2Å; Y1106-V1112 HydrophobicContact CD2-CG1 3.75Å; Y1106-V1112 HydrophobicContact CD2-CG2 3.36Å; Y1106-V1112 HydrophobicContact CE2-CB 4.36Å; Y1106-V1112 HydrophobicContact CE2-CG1 3.52Å; Y1106-V1112 HydrophobicContact CE2-CG2 3.97Å; Y1106-V1112 HydrophobicContact CG-CG2 3.69Å; I1110-V1112 VanDerWaalsContact C-N 3.26Å; I1110-V1112 PolarHBondContact O-N 2.59Å; V1112-H1116 WeakPolarHBondContact CG1-CE1 3.43Å; V1112-H1116 WeakPolarHBondContact CG1-ND1 3.19Å; V1112-H1116 VanDerWaalsContact O-CB 3.23Å; V1112-H1116 WeakPolarHBondContact O-CB 3.09Å; V1112-H1116 PolarHBondContact O-N 3.01Å; V1112-H1116 PolarHBondContact O-ND1 3.5Å; V1112-N1168 HydrophobicContact CG1-CB 4.25Å
1113C85.7Confident81Confident31 Ų3133.1 Ų33.121%0.20918%0.177CC..Hα-helixtrans-68.7-45-177.8-1750000111D1111 T1117 Y1169 S1170D1111-C1113 PolarHBondContact O-N 3.29Å; D1111-C1113 WeakPolarHBondContact OD1-CA 3.45Å; D1111-C1113 VanDerWaalsContact OD1-CB 3.28Å; D1111-C1113 WeakPolarHBondContact OD1-CB 3.46Å; D1111-C1113 PolarHBondContact OD1-N 3.12Å; C1113-T1117 WeakPolarHBondContact O-CB 3.37Å; C1113-T1117 PolarHBondContact O-N 3.01Å; C1113-T1117 PolarHBondContact O-OG1 3.05Å; C1113-Y1169 VanDerWaalsContact SG-C 3.58Å; C1113-S1170 PolarHBondContact SG-N 3.38Å
1114D85.7Confident81.6Confident22 Ų2232.3 Ų32.312%0.11817%0.172CC..Hα-helixtrans-66.9-46.3176.1-166.860.1000112.2D1111 H1116 T1117 R1118 R1173D1111-D1114 HydrophobicContact CB-CB 4.14Å; D1111-D1114 PolarHBondContact O-N 2.71Å; D1111-D1114 PolarHBondContact OD1-N 3.3Å; D1111-D1114 WeakPolarHBondContact OD2-CB 3.44Å; D1114-H1116 PolarHBondContact O-N 3.36Å; D1114-T1117 WeakPolarHBondContact O-CB 3.49Å; D1114-T1117 PolarHBondContact O-N 3.18Å; D1114-R1118 WeakPolarHBondContact O-CG 3.35Å; D1114-R1118 PolarHBondContact O-N 2.86Å; D1114-R1118 IonicContact OD1-NE 3.41Å; D1114-R1118 IonicContact OD2-CZ 3.63Å; D1114-R1118 IonicContact OD2-NE 3.68Å; D1114-R1118 PolarHBondContact OD2-NE 3.25Å; D1114-R1118 IonicContact OD2-NH2 3.63Å; D1114-R1118 PolarHBondContact OD2-NH2 3.2Å; D1114-R1173 IonicContact OD1-CZ 3.95Å; D1114-R1173 IonicContact OD1-NH1 3.86Å; D1114-R1173 PolarHBondContact OD1-NH1 3.07Å; D1114-R1173 IonicContact OD1-NH2 2.72Å; D1114-R1173 PolarHBondContact OD1-NH2 3.36Å
1115V85.6Confident82.4Confident13 Ų1334 Ų348%0.07919%0.185CC..Hα-helixtrans-59.7-48.8179.51730000111.5L887 I890 I891 I1110 D1111 T1117 R1118 Y1119L887-V1115 HydrophobicContact CD2-CG1 4.31Å; I890-V1115 HydrophobicContact CG2-CG1 3.9Å; I891-V1115 HydrophobicContact CD1-CG1 4.06Å; I891-V1115 HydrophobicContact CG1-CG1 3.79Å; I1110-V1115 HydrophobicContact CG2-CG2 4.18Å; D1111-V1115 WeakPolarHBondContact O-CG2 3.32Å; D1111-V1115 PolarHBondContact O-N 2.93Å; V1115-T1117 PolarHBondContact O-N 3.29Å; V1115-R1118 PolarHBondContact O-N 2.89Å; V1115-Y1119 PolarHBondContact O-N 2.84Å
1116H89.9Confident83.3Confident0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-64.4-37.7175.8-70.9174.7000112.6Y1106 V1112 D1114 R1118 Y1119 A1120 F1161 G1166 N1168Y1106-H1116 AromaticContact CE2-CE1 3.98Å; Y1106-H1116 AromaticContact CE2-NE2 3.67Å; Y1106-H1116 AromaticContact CZ-NE2 3.63Å; Y1106-H1116 PolarHBondContact OH-NE2 3.47Å; V1112-H1116 WeakPolarHBondContact CG1-CE1 3.43Å; V1112-H1116 WeakPolarHBondContact CG1-ND1 3.19Å; V1112-H1116 VanDerWaalsContact O-CB 3.23Å; V1112-H1116 WeakPolarHBondContact O-CB 3.09Å; V1112-H1116 PolarHBondContact O-N 3.01Å; V1112-H1116 PolarHBondContact O-ND1 3.5Å; D1114-H1116 PolarHBondContact O-N 3.36Å; H1116-R1118 VanDerWaalsContact C-N 3.35Å; H1116-Y1119 PolarHBondContact O-N 3.07Å; H1116-A1120 PolarHBondContact O-N 3.47Å; H1116-A1120 VanDerWaalsContact O-N 3.08Å; H1116-F1161 HydrophobicContact CB-CE1 4.03Å; H1116-F1161 HydrophobicContact CB-CZ 3.63Å; H1116-F1161 AromaticContact CD2-CZ 3.7Å; H1116-F1161 AromaticContact CG-CZ 3.62Å; H1116-G1166 PolarHBondContact CE1-O 3.22Å; H1116-N1168 WeakPolarHBondContact CB-O 3.41Å; H1116-N1168 PolarHBondContact ND1-N 3.32Å; H1116-N1168 PolarHBondContact ND1-O 3.35Å
1117T90.6Very high84.1Confident4 Ų426.1 Ų26.13%0.02515%0.146CC..Hα-helixtrans-62.2-42.7174.8-600000110.5C1113 D1114 V1115 V1121 S1170 R1173 L1174C1113-T1117 WeakPolarHBondContact O-CB 3.37Å; C1113-T1117 PolarHBondContact O-N 3.01Å; C1113-T1117 PolarHBondContact O-OG1 3.05Å; D1114-T1117 WeakPolarHBondContact O-CB 3.49Å; D1114-T1117 PolarHBondContact O-N 3.18Å; V1115-T1117 PolarHBondContact O-N 3.29Å; T1117-V1121 VanDerWaalsContact O-CG2 3.25Å; T1117-V1121 WeakPolarHBondContact O-CG2 3.37Å; T1117-V1121 PolarHBondContact O-N 3.35Å; T1117-V1121 VanDerWaalsContact O-N 3.11Å; T1117-S1170 PolarHBondContact OG1-N 3.07Å; T1117-R1173 HydrophobicContact CG2-CB 3.95Å; T1117-L1174 HydrophobicContact CG2-CD2 3.71Å; T1117-L1174 HydrophobicContact CG2-CG 4.18Å; T1117-L1174 WeakPolarHBondContact O-CD2 3.34Å
1118R88.9Confident85.2Confident69 Ų6928.4 Ų28.426%0.2616%0.155SC..Hα-helixtrans-66.5-37.2176-67.2-170.3-157.2-150.513.8112.6S869 L872 L887 D1114 V1115 H1116 V1121 A1122S869-R1118 PolarHBondContact OG-NH1 2.67Å; S869-R1118 PolarHBondContact OG-NH2 3.03Å; L872-R1118 VanDerWaalsContact CD1-CD 3.44Å; L887-R1118 HydrophobicContact CD1-CB 4.26Å; D1114-R1118 WeakPolarHBondContact O-CG 3.35Å; D1114-R1118 PolarHBondContact O-N 2.86Å; D1114-R1118 IonicContact OD1-NE 3.41Å; D1114-R1118 IonicContact OD2-CZ 3.63Å; D1114-R1118 IonicContact OD2-NE 3.68Å; D1114-R1118 PolarHBondContact OD2-NE 3.25Å; D1114-R1118 IonicContact OD2-NH2 3.63Å; D1114-R1118 PolarHBondContact OD2-NH2 3.2Å; V1115-R1118 PolarHBondContact O-N 2.89Å; H1116-R1118 VanDerWaalsContact C-N 3.35Å; R1118-V1121 PolarHBondContact O-N 3.31Å; R1118-A1122 WeakPolarHBondContact O-CB 3.22Å; R1118-A1122 PolarHBondContact O-N 3.48Å
1119Y90.1Very high86.1Confident0 Ų028.5 Ų28.50%016%0.156CC..Hα-helixtrans-63.4-48.1176.6-178.9-119.7000112.5I884 L887 E888 I891 F892 V1115 H1116 V1121 A1122 L1123 R1157 F1161I884-Y1119 HydrophobicContact CG2-CE2 4.29Å; L887-Y1119 HydrophobicContact CB-CD2 3.86Å; L887-Y1119 HydrophobicContact CB-CG 4.49Å; E888-Y1119 HydrophobicContact CG-CD2 4.37Å; E888-Y1119 HydrophobicContact CG-CE2 3.44Å; E888-Y1119 VanDerWaalsContact CG-CE2 3.44Å; E888-Y1119 WeakPolarHBondContact OE1-CE2 3.32Å; E888-Y1119 PolarHBondContact OE1-OH 3.48Å; I891-Y1119 VanDerWaalsContact CD1-CB 3.48Å; I891-Y1119 HydrophobicContact CD1-CD1 3.95Å; I891-Y1119 HydrophobicContact CD1-CD2 4.32Å; I891-Y1119 HydrophobicContact CD1-CG 3.66Å; F892-Y1119 HydrophobicContact CE2-CE1 4.17Å; F892-Y1119 HydrophobicContact CZ-CE1 4.35Å; V1115-Y1119 PolarHBondContact O-N 2.84Å; H1116-Y1119 PolarHBondContact O-N 3.07Å; Y1119-V1121 VanDerWaalsContact C-N 3.3Å; Y1119-V1121 PolarHBondContact O-N 3.46Å; Y1119-A1122 PolarHBondContact O-N 2.79Å; Y1119-A1122 VanDerWaalsContact O-N 3.16Å; Y1119-L1123 HydrophobicContact CD1-CD1 4.19Å; Y1119-L1123 HydrophobicContact CE1-CD1 3.74Å; Y1119-L1123 HydrophobicContact CE1-CG 4.44Å; Y1119-L1123 HydrophobicContact CE2-CD1 4.36Å; Y1119-L1123 HydrophobicContact CE2-CD2 4.27Å; Y1119-L1123 HydrophobicContact CE2-CG 4.21Å; Y1119-L1123 WeakPolarHBondContact O-CG 3.34Å; Y1119-L1123 PolarHBondContact O-N 3.48Å; Y1119-R1157 PolarHBondContact OH-NE 3.03Å; Y1119-F1161 HydrophobicContact CD1-CD1 4.01Å; Y1119-F1161 AromaticContact CD1-CD2 3.88Å; Y1119-F1161 HydrophobicContact CD1-CD2 3.88Å; Y1119-F1161 AromaticContact CD1-CE1 3.92Å; Y1119-F1161 HydrophobicContact CD1-CE1 3.92Å; Y1119-F1161 AromaticContact CD1-CE2 3.78Å; Y1119-F1161 HydrophobicContact CD1-CE2 3.78Å; Y1119-F1161 AromaticContact CD1-CG 3.98Å; Y1119-F1161 HydrophobicContact CD1-CG 3.98Å; Y1119-F1161 AromaticContact CD1-CZ 3.8Å; Y1119-F1161 HydrophobicContact CD1-CZ 3.8Å; Y1119-F1161 HydrophobicContact CE1-CD1 4.5Å; Y1119-F1161 AromaticContact CE1-CD2 3.88Å; Y1119-F1161 HydrophobicContact CE1-CD2 3.88Å; Y1119-F1161 HydrophobicContact CE1-CE2 4.18Å; Y1119-F1161 HydrophobicContact CE1-CG 4.04Å
1120A90.7Very high86.7Confident0 Ų031.2 Ų31.20%017%0.17CC..Hα-helixtrans-60.1-40.1175.600000112.1H1116 L1123 M1124 L1158 F1161 L1174H1116-A1120 PolarHBondContact O-N 3.47Å; H1116-A1120 VanDerWaalsContact O-N 3.08Å; A1120-L1123 PolarHBondContact O-N 2.67Å; A1120-M1124 VanDerWaalsContact O-CG 3.27Å; A1120-M1124 WeakPolarHBondContact O-CG 3.34Å; A1120-M1124 PolarHBondContact O-N 2.95Å; A1120-L1158 HydrophobicContact CB-CD1 3.71Å; A1120-F1161 HydrophobicContact CB-CD1 4.36Å; A1120-F1161 HydrophobicContact CB-CE1 4.37Å; A1120-L1174 HydrophobicContact CB-CD1 3.79Å; A1120-L1174 HydrophobicContact CB-CD2 3.75Å; A1120-L1174 HydrophobicContact CB-CG 4.46Å
1121V90.3Very high87Confident20 Ų2031.8 Ų31.812%0.12117%0.173CC..Hα-helixtrans-63.2-44.7173170.80000112T1117 R1118 Y1119 L1123 M1124 S1125 L1174 K1177T1117-V1121 VanDerWaalsContact O-CG2 3.25Å; T1117-V1121 WeakPolarHBondContact O-CG2 3.37Å; T1117-V1121 PolarHBondContact O-N 3.35Å; T1117-V1121 VanDerWaalsContact O-N 3.11Å; R1118-V1121 PolarHBondContact O-N 3.31Å; Y1119-V1121 VanDerWaalsContact C-N 3.3Å; Y1119-V1121 PolarHBondContact O-N 3.46Å; V1121-L1123 VanDerWaalsContact C-N 3.32Å; V1121-L1123 PolarHBondContact O-N 3.05Å; V1121-M1124 WeakPolarHBondContact O-CB 3.21Å; V1121-M1124 PolarHBondContact O-N 3.46Å; V1121-M1124 VanDerWaalsContact O-N 3.16Å; V1121-S1125 PolarHBondContact O-N 3.22Å; V1121-S1125 PolarHBondContact O-OG 3.16Å; V1121-L1174 HydrophobicContact CG2-CD2 3.71Å; V1121-K1177 HydrophobicContact CB-CD 4.34Å; V1121-K1177 HydrophobicContact CG1-CD 3.83Å; V1121-K1177 HydrophobicContact CG2-CB 4.41Å; V1121-K1177 HydrophobicContact CG2-CD 3.45Å; V1121-K1177 VanDerWaalsContact CG2-CD 3.45Å
1122A87.9Confident87Confident15 Ų1531.2 Ų31.212%0.12417%0.174CC..Hα-helixtrans-61.6-40.3179.500000111.6I883 I884 L887 R1118 Y1119 R1126I883-A1122 HydrophobicContact CG2-CB 3.85Å; I884-A1122 HydrophobicContact CG1-CB 3.92Å; L887-A1122 HydrophobicContact CD1-CB 4.16Å; R1118-A1122 WeakPolarHBondContact O-CB 3.22Å; R1118-A1122 PolarHBondContact O-N 3.48Å; Y1119-A1122 PolarHBondContact O-N 2.79Å; Y1119-A1122 VanDerWaalsContact O-N 3.16Å; A1122-R1126 WeakPolarHBondContact O-CB 3.18Å; A1122-R1126 PolarHBondContact O-N 2.87Å
1123L88.6Confident86.5Confident1 Ų135 Ų351%0.00521%0.208CC..Hα-helixtrans-61.5-45.7172.2-67.8175.2000111.9I884 Y1119 A1120 V1121 R1126 A1127 L1154 L1158I884-L1123 HydrophobicContact CD1-CD2 4.2Å; Y1119-L1123 HydrophobicContact CD1-CD1 4.19Å; Y1119-L1123 HydrophobicContact CE1-CD1 3.74Å; Y1119-L1123 HydrophobicContact CE1-CG 4.44Å; Y1119-L1123 HydrophobicContact CE2-CD1 4.36Å; Y1119-L1123 HydrophobicContact CE2-CD2 4.27Å; Y1119-L1123 HydrophobicContact CE2-CG 4.21Å; Y1119-L1123 WeakPolarHBondContact O-CG 3.34Å; Y1119-L1123 PolarHBondContact O-N 3.48Å; A1120-L1123 PolarHBondContact O-N 2.67Å; V1121-L1123 VanDerWaalsContact C-N 3.32Å; V1121-L1123 PolarHBondContact O-N 3.05Å; L1123-R1126 PolarHBondContact O-N 3.33Å; L1123-A1127 WeakPolarHBondContact O-CB 3.43Å; L1123-A1127 PolarHBondContact O-N 3.19Å; L1123-L1154 HydrophobicContact CD2-CD2 3.66Å; L1123-L1158 HydrophobicContact CB-CB 4.36Å; L1123-L1158 HydrophobicContact CB-CD1 4.41Å; L1123-L1158 HydrophobicContact CD1-CB 4.09Å; L1123-L1158 HydrophobicContact CD1-CD1 4.29Å
1124M89.2Confident86Confident7 Ų741.4 Ų41.43%0.03424%0.24CC..Hα-helixtrans-61.4-52.7177.5-69.7165.761.600111.6A1120 V1121 R1126 A1127 Q1128 L1158 K1177 C1178 F1183A1120-M1124 VanDerWaalsContact O-CG 3.27Å; A1120-M1124 WeakPolarHBondContact O-CG 3.34Å; A1120-M1124 PolarHBondContact O-N 2.95Å; V1121-M1124 WeakPolarHBondContact O-CB 3.21Å; V1121-M1124 PolarHBondContact O-N 3.46Å; V1121-M1124 VanDerWaalsContact O-N 3.16Å; M1124-R1126 VanDerWaalsContact C-N 3.31Å; M1124-R1126 PolarHBondContact O-N 2.83Å; M1124-A1127 PolarHBondContact O-N 2.96Å; M1124-Q1128 WeakPolarHBondContact O-CG 3.44Å; M1124-Q1128 PolarHBondContact O-N 3.32Å; M1124-L1158 HydrophobicContact CG-CD1 4.41Å; M1124-L1158 HydrophobicContact CG-CD2 3.44Å; M1124-L1158 VanDerWaalsContact CG-CD2 3.44Å; M1124-L1158 HydrophobicContact SD-CD2 4.35Å; M1124-K1177 WeakPolarHBondContact CE-O 3.39Å; M1124-C1178 HydrophobicContact CE-CB 4.21Å; M1124-F1183 HydrophobicContact CB-CE1 4.32Å; M1124-F1183 HydrophobicContact CB-CZ 4.47Å; M1124-F1183 HydrophobicContact CG-CD1 4.27Å; M1124-F1183 HydrophobicContact CG-CE1 4.14Å
1125S87.6Confident85.8Confident60 Ų6043.9 Ų43.942%0.4225%0.25SS..Hα-helixtrans-65.7-32.3-180-61.70000112.5V1121 Q1128 S1129V1121-S1125 PolarHBondContact O-N 3.22Å; V1121-S1125 PolarHBondContact O-OG 3.16Å; S1125-Q1128 PolarHBondContact O-N 3.47Å; S1125-S1129 WeakPolarHBondContact O-CB 3.47Å; S1125-S1129 PolarHBondContact O-N 3.39Å
1126R86Confident85.7Confident70 Ų7047.2 Ų47.226%0.26427%0.272SS..Hα-helixtrans-68.2-43.5171.9-171.168.2-177122.1-2.8111.6I884 A1122 L1123 M1124 Q1128 S1129 L1130 L1154I884-R1126 HydrophobicContact CD1-CB 3.64Å; I884-R1126 HydrophobicContact CD1-CG 3.85Å; A1122-R1126 WeakPolarHBondContact O-CB 3.18Å; A1122-R1126 PolarHBondContact O-N 2.87Å; L1123-R1126 PolarHBondContact O-N 3.33Å; M1124-R1126 VanDerWaalsContact C-N 3.31Å; M1124-R1126 PolarHBondContact O-N 2.83Å; R1126-Q1128 VanDerWaalsContact C-N 3.33Å; R1126-Q1128 PolarHBondContact O-N 3.49Å; R1126-S1129 WeakPolarHBondContact CA-OG 3.25Å; R1126-S1129 PolarHBondContact NH1-OG 3.48Å; R1126-S1129 PolarHBondContact O-N 2.8Å; R1126-S1129 PolarHBondContact O-OG 3.12Å; R1126-L1130 HydrophobicContact CG-CD1 4.11Å; R1126-L1130 WeakPolarHBondContact O-CG 3.42Å; R1126-L1130 PolarHBondContact O-N 3.33Å; R1126-L1154 HydrophobicContact CB-CD1 4.14Å; R1126-L1154 HydrophobicContact CG-CD1 3.73Å
1127A86.9Confident85.5Confident0 Ų048.5 Ų48.50%028%0.278CS..Hα-helixtrans-63.6-37.8175.400000111.8L1123 M1124 L1130 Q1131 L1154 R1155 F1183L1123-A1127 WeakPolarHBondContact O-CB 3.43Å; L1123-A1127 PolarHBondContact O-N 3.19Å; M1124-A1127 PolarHBondContact O-N 2.96Å; A1127-L1130 PolarHBondContact O-N 2.92Å; A1127-Q1131 PolarHBondContact O-N 3.28Å; A1127-L1154 HydrophobicContact CB-CB 4.11Å; A1127-L1154 HydrophobicContact CB-CD1 4.29Å; A1127-R1155 HydrophobicContact CB-CG 4.45Å; A1127-F1183 HydrophobicContact CB-CE1 4.18Å; A1127-F1183 HydrophobicContact CB-CZ 3.86Å
1128Q87.4Confident85.3Confident73 Ų7349.3 Ų49.334%0.34129%0.285SS..Hα-helixtrans-59.9-47.1169.1-70.8172.1-53.600112.1M1124 S1125 R1126 L1130 Q1131 F1137 F1183M1124-Q1128 WeakPolarHBondContact O-CG 3.44Å; M1124-Q1128 PolarHBondContact O-N 3.32Å; S1125-Q1128 PolarHBondContact O-N 3.47Å; R1126-Q1128 VanDerWaalsContact C-N 3.33Å; R1126-Q1128 PolarHBondContact O-N 3.49Å; Q1128-L1130 PolarHBondContact O-N 3.2Å; Q1128-L1130 VanDerWaalsContact O-N 3.13Å; Q1128-Q1131 PolarHBondContact O-N 2.93Å; Q1128-F1137 HydrophobicContact CG-CZ 4.4Å; Q1128-F1183 HydrophobicContact CG-CE2 3.79Å; Q1128-F1183 HydrophobicContact CG-CZ 4.13Å
1129S84.6Confident85.2Confident73 Ų7349.6 Ų49.651%0.5129%0.288SS..Hα-helixtrans-66-12.5178.976.40000115.2S1125 R1126S1125-S1129 WeakPolarHBondContact O-CB 3.47Å; S1125-S1129 PolarHBondContact O-N 3.39Å; R1126-S1129 WeakPolarHBondContact CA-OG 3.25Å; R1126-S1129 PolarHBondContact NH1-OG 3.48Å; R1126-S1129 PolarHBondContact O-N 2.8Å; R1126-S1129 PolarHBondContact O-OG 3.12Å
1130L84.7Confident85Confident63 Ų6351.6 Ų51.633%0.3330%0.297SS..Hα-helixtrans-109.1-9.7-178-71.8172.3000113.4R1126 A1127 Q1128 A1150 V1151 L1154R1126-L1130 HydrophobicContact CG-CD1 4.11Å; R1126-L1130 WeakPolarHBondContact O-CG 3.42Å; R1126-L1130 PolarHBondContact O-N 3.33Å; A1127-L1130 PolarHBondContact O-N 2.92Å; Q1128-L1130 PolarHBondContact O-N 3.2Å; Q1128-L1130 VanDerWaalsContact O-N 3.13Å; L1130-A1150 HydrophobicContact CD1-CB 3.99Å; L1130-V1151 HydrophobicContact CB-CG2 3.78Å; L1130-L1154 HydrophobicContact CD1-CD1 3.7Å
1131Q82.9Confident84.7Confident26 Ų2651.9 Ų51.912%0.12130%0.299CS..SBendtrans-80.3127175.1-17075.6-84.900109.4A1127 Q1128 A1133 K1135 F1137A1127-Q1131 PolarHBondContact O-N 3.28Å; Q1128-Q1131 PolarHBondContact O-N 2.93Å; Q1131-A1133 PolarHBondContact O-N 3.38Å; Q1131-K1135 VanDerWaalsContact CG-O 3.27Å; Q1131-K1135 WeakPolarHBondContact CG-O 3.45Å; Q1131-F1137 HydrophobicContact CB-CE1 4.19Å; Q1131-F1137 HydrophobicContact CB-CE2 3.76Å; Q1131-F1137 HydrophobicContact CB-CZ 3.51Å; Q1131-F1137 HydrophobicContact CG-CD2 4.13Å; Q1131-F1137 HydrophobicContact CG-CE1 4.34Å; Q1131-F1137 HydrophobicContact CG-CE2 3.75Å; Q1131-F1137 HydrophobicContact CG-CZ 3.86Å
1132P79.5Confident84.4Confident80 Ų8055.6 Ų55.652%0.51932%0.318SS..  trans-62.2136174.8-22.133.9000111.1N1134 K1135P1132-N1134 PolarHBondContact O-N 3.31Å; P1132-K1135 HydrophobicContact CB-CB 4.43Å; P1132-K1135 PolarHBondContact O-N 3.48Å
1133A74.3Confident84.3Confident108 Ų10859.1 Ų59.189%0.89334%0.335SS*.THydrogen-bonded Turntrans-55.8-25.2-174.800000114.9Q1131 K1135Q1131-A1133 PolarHBondContact O-N 3.38Å; A1133-K1135 VanDerWaalsContact C-N 3.33Å
1134N74.7Confident84.1Confident165 Ų16559.3 Ų59.388%0.88234%0.336SS*.THydrogen-bonded Turntrans-87.63.7178.5-63.12.2000113.6P1132P1132-N1134 PolarHBondContact O-N 3.31Å
1135K81.3Confident83.5Confident74 Ų7464.2 Ų64.232%0.32236%0.358SS..  trans-122.6113.7-175.4-179170.8178.7169.80111.4Q1131 P1132 A1133 Q1145Q1131-K1135 VanDerWaalsContact CG-O 3.27Å; Q1131-K1135 WeakPolarHBondContact CG-O 3.45Å; P1132-K1135 HydrophobicContact CB-CB 4.43Å; P1132-K1135 PolarHBondContact O-N 3.48Å; A1133-K1135 VanDerWaalsContact C-N 3.33Å; K1135-Q1145 PolarHBondContact NZ-O 3.27Å
1136P82.4Confident83.2Confident84 Ų8465.4 Ų65.455%0.54537%0.365SS..PPolyproline II helixtrans-68.5151.6171.230.3-34.5000110.9P1327P1136-P1327 HydrophobicContact CB-CB 4.27Å
1137F87Confident82.6Confident26 Ų2668.4 Ų68.411%0.11438%0.38CS..PPolyproline II helixtrans-63.8142.7171.3-75.9-93000111.2Q1128 Q1131 E1144 V1151 A1182 F1183Q1128-F1137 HydrophobicContact CG-CZ 4.4Å; Q1131-F1137 HydrophobicContact CB-CE1 4.19Å; Q1131-F1137 HydrophobicContact CB-CE2 3.76Å; Q1131-F1137 HydrophobicContact CB-CZ 3.51Å; Q1131-F1137 HydrophobicContact CG-CD2 4.13Å; Q1131-F1137 HydrophobicContact CG-CE1 4.34Å; Q1131-F1137 HydrophobicContact CG-CE2 3.75Å; Q1131-F1137 HydrophobicContact CG-CZ 3.86Å; F1137-E1144 WeakPolarHBondContact CD1-OE1 3.45Å; F1137-V1151 HydrophobicContact CD1-CG1 4.2Å; F1137-V1151 HydrophobicContact CE1-CG1 3.69Å; F1137-A1182 HydrophobicContact CB-CB 3.76Å; F1137-A1182 HydrophobicContact CD2-CB 3.44Å; F1137-A1182 VanDerWaalsContact CD2-CB 3.44Å; F1137-A1182 HydrophobicContact CE2-CB 4.22Å; F1137-A1182 HydrophobicContact CG-CB 3.7Å; F1137-F1183 HydrophobicContact CD1-CE2 4.31Å; F1137-F1183 HydrophobicContact CD1-CZ 4.48Å; F1137-F1183 AromaticContact CE1-CE2 3.89Å; F1137-F1183 HydrophobicContact CE1-CE2 3.89Å; F1137-F1183 AromaticContact CE1-CZ 3.84Å; F1137-F1183 HydrophobicContact CE1-CZ 3.84Å; F1137-F1183 HydrophobicContact CE2-CE2 4.19Å; F1137-F1183 AromaticContact CZ-CE2 3.83Å; F1137-F1183 HydrophobicContact CZ-CE2 3.83Å; F1137-F1183 HydrophobicContact CZ-CZ 4.04Å
1138A86.9Confident81.9Confident21 Ų2171.7 Ų71.717%0.17440%0.403CS..PPolyproline II helixtrans-67.9143.5171.800000110.4K1140 D1143 E1144 R1155A1138-K1140 WeakPolarHBondContact CB-O 3.34Å; A1138-K1140 PolarHBondContact O-N 3.17Å; A1138-D1143 HydrophobicContact CB-CB 4.05Å; A1138-E1144 HydrophobicContact CB-CG 3.93Å; A1138-E1144 PolarHBondContact N-OE1 3.09Å; A1138-R1155 PolarHBondContact O-NH1 3.17Å; A1138-R1155 PolarHBondContact O-NH2 3.19Å
1139F86.4Confident81.5Confident76 Ų7669 Ų6933%0.33339%0.394SS..SBendtrans-58.3-38.1-178.1-66.5-71.6000112.3F1184 L1207 L1208F1139-F1184 AromaticContact CD1-CD2 3.49Å; F1139-F1184 HydrophobicContact CD1-CD2 3.49Å; F1139-F1184 VanDerWaalsContact CD1-CD2 3.49Å; F1139-F1184 AromaticContact CD1-CE2 3.65Å; F1139-F1184 HydrophobicContact CD1-CE2 3.65Å; F1139-F1184 HydrophobicContact CD1-CG 4.29Å; F1139-F1184 HydrophobicContact CE1-CD2 4.05Å; F1139-F1184 AromaticContact CE1-CE2 3.7Å; F1139-F1184 HydrophobicContact CE1-CE2 3.7Å; F1139-F1184 HydrophobicContact CE1-CZ 4.34Å; F1139-F1184 HydrophobicContact CG-CD2 4.5Å; F1139-L1207 HydrophobicContact CD1-CD1 4Å; F1139-L1207 HydrophobicContact CD1-CD2 4.46Å; F1139-L1207 HydrophobicContact CD1-CG 4.11Å; F1139-L1207 HydrophobicContact CE1-CD1 3.76Å; F1139-L1207 HydrophobicContact CE1-CG 4.37Å; F1139-L1208 HydrophobicContact CB-CD2 4.28Å; F1139-L1208 WeakPolarHBondContact O-CD2 3.45Å
1140K86.1Confident81.2Confident41 Ų4166.7 Ų66.718%0.17838%0.379CS..SBendtrans-110.5154.5171.9-54.9-174.8-176.7-169.60111.7A1138 D1143 E1185 L1208 D1210A1138-K1140 WeakPolarHBondContact CB-O 3.34Å; A1138-K1140 PolarHBondContact O-N 3.17Å; K1140-D1143 HydrophobicContact CB-CB 4.4Å; K1140-D1143 WeakPolarHBondContact CB-OD2 3.35Å; K1140-D1143 PolarHBondContact O-N 3.41Å; K1140-E1185 WeakPolarHBondContact CA-OE2 3.41Å; K1140-E1185 WeakPolarHBondContact CB-OE2 3.41Å; K1140-L1208 WeakPolarHBondContact CE-O 3.44Å; K1140-L1208 HydrophobicContact CG-CD2 4.17Å; K1140-L1208 PolarHBondContact NZ-O 2.89Å; K1140-D1210 IonicContact NZ-OD2 3.37Å; K1140-D1210 PolarHBondContact NZ-OD2 2.94Å
1141V84Confident81.3Confident7 Ų764.4 Ų64.44%0.04237%0.368CS..G310 helixtrans-65.1-39.5175.9179.30000111.8D1143 E1144 R1155 L1156 I1159 E1185V1141-D1143 PolarHBondContact O-N 3.24Å; V1141-E1144 WeakPolarHBondContact O-CB 3.41Å; V1141-E1144 PolarHBondContact O-N 3.45Å; V1141-R1155 HydrophobicContact CB-CB 4.41Å; V1141-R1155 HydrophobicContact CG1-CB 3.85Å; V1141-R1155 HydrophobicContact CG2-CB 3.76Å; V1141-L1156 HydrophobicContact CG1-CB 3.98Å; V1141-I1159 HydrophobicContact CB-CD1 4.31Å; V1141-I1159 HydrophobicContact CG2-CD1 3.43Å; V1141-I1159 VanDerWaalsContact CG2-CD1 3.43Å; V1141-I1159 HydrophobicContact CG2-CG1 4.26Å; V1141-E1185 PolarHBondContact N-OE2 2.85Å
1142N83.6Confident81.3Confident98 Ų9863.5 Ų63.552%0.52437%0.365SS..G310 helixtrans-68-13.5179.9-68.9-13.6000114.4K1147N1142-K1147 WeakPolarHBondContact O-CE 3.26Å; N1142-K1147 PolarHBondContact O-NZ 2.71Å
1143D85.9Confident81.4Confident89 Ų8960.8 Ų60.848%0.47634%0.344SS..G310 helixtrans-99.4-4.5-179.2-60.2-25.9000112A1138 K1140 V1141A1138-D1143 HydrophobicContact CB-CB 4.05Å; K1140-D1143 HydrophobicContact CB-CB 4.4Å; K1140-D1143 WeakPolarHBondContact CB-OD2 3.35Å; K1140-D1143 PolarHBondContact O-N 3.41Å; V1141-D1143 PolarHBondContact O-N 3.24Å
1144E84.2Confident82Confident5 Ų556.1 Ų56.12%0.02330%0.304CS..  trans-63.3150.6174.2-78.3-66.3179.900112.4F1137 A1138 V1141 K1147 A1152 R1155F1137-E1144 WeakPolarHBondContact CD1-OE1 3.45Å; A1138-E1144 HydrophobicContact CB-CG 3.93Å; A1138-E1144 PolarHBondContact N-OE1 3.09Å; V1141-E1144 WeakPolarHBondContact O-CB 3.41Å; V1141-E1144 PolarHBondContact O-N 3.45Å; E1144-K1147 WeakPolarHBondContact O-CG 3.46Å; E1144-A1152 HydrophobicContact CB-CB 3.83Å; E1144-R1155 IonicContact OE1-CZ 3.33Å; E1144-R1155 IonicContact OE1-NH1 3.43Å; E1144-R1155 PolarHBondContact OE1-NH1 2.93Å
1145Q77.7Confident82.6Confident109 Ų10948.3 Ų48.351%0.50926%0.262SS..SBendtrans-135132.1-176.6-66.3-64.8-10.100111.9K1135K1135-Q1145 PolarHBondContact NZ-O 3.27Å
1146P81.6Confident82.9Confident85 Ų8547 Ų4755%0.55226%0.258SS*.SBendcis-66.7146.8-9.129-33.6000111.1S1148 G1149P1146-S1148 PolarHBondContact O-N 2.95Å; P1146-S1148 VanDerWaalsContact O-N 3.16Å; P1146-G1149 PolarHBondContact O-N 3.32Å
1147K73.5Confident83.1Confident134 Ų13443.2 Ų43.258%0.58323%0.234SC*.THydrogen-bonded Turntrans-60-25.5-179.3-67.3-169.5176.3-154.90114.2N1142 E1144 A1152N1142-K1147 WeakPolarHBondContact O-CE 3.26Å; N1142-K1147 PolarHBondContact O-NZ 2.71Å; E1144-K1147 WeakPolarHBondContact O-CG 3.46Å; K1147-A1152 WeakPolarHBondContact O-CB 3.28Å
1148S72.2Confident83.2Confident69 Ų6942.1 Ų42.148%0.48323%0.229SC..THydrogen-bonded Turntrans-90-1.8173.652.10000113.9P1146 R1153P1146-S1148 PolarHBondContact O-N 2.95Å; P1146-S1148 VanDerWaalsContact O-N 3.16Å; S1148-R1153 PolarHBondContact O-NE 3.42Å; S1148-R1153 VanDerWaalsContact O-NE 3.12Å; S1148-R1153 PolarHBondContact O-NH1 3.18Å; S1148-R1153 VanDerWaalsContact O-NH1 3.12Å; S1148-R1153 PolarHBondContact O-NH2 2.96Å
1149G77.6Confident83.3Confident15 Ų1542.6 Ų42.616%0.15523%0.228CC..SBendtrans-69155.3-175.500000113.2P1146 V1151 A1152 R1153P1146-G1149 PolarHBondContact O-N 3.32Å; G1149-V1151 PolarHBondContact O-N 3.05Å; G1149-V1151 VanDerWaalsContact O-N 3.15Å; G1149-A1152 WeakPolarHBondContact O-CB 3.45Å; G1149-A1152 PolarHBondContact O-N 2.79Å; G1149-R1153 PolarHBondContact O-N 3.22Å
1150A79.6Confident83.3Confident25 Ų2542.7 Ų42.721%0.20723%0.226CC..Hα-helixtrans-53.1-37.8-179.500000113.6L1066 L1130 L1154L1066-A1150 HydrophobicContact CD1-CB 4.38Å; L1130-A1150 HydrophobicContact CD1-CB 3.99Å; A1150-L1154 VanDerWaalsContact O-CB 3.28Å; A1150-L1154 WeakPolarHBondContact O-CB 3.45Å; A1150-L1154 WeakPolarHBondContact O-CD1 3.31Å; A1150-L1154 WeakPolarHBondContact O-CG 3.27Å; A1150-L1154 PolarHBondContact O-N 3.31Å
1151V84.9Confident83.4Confident16 Ų1640.8 Ų40.810%0.09722%0.218CC..Hα-helixtrans-63.5-45175.21780000111.7L1130 F1137 G1149 L1154 R1155L1130-V1151 HydrophobicContact CB-CG2 3.78Å; F1137-V1151 HydrophobicContact CD1-CG1 4.2Å; F1137-V1151 HydrophobicContact CE1-CG1 3.69Å; G1149-V1151 PolarHBondContact O-N 3.05Å; G1149-V1151 VanDerWaalsContact O-N 3.15Å; V1151-L1154 PolarHBondContact O-N 2.93Å; V1151-R1155 WeakPolarHBondContact O-CG 3.29Å; V1151-R1155 PolarHBondContact O-N 2.99Å
1152A83.6Confident83.7Confident6 Ų640.6 Ų40.65%0.0522%0.217CC..Hα-helixtrans-64.5-47.1178.600000111.4E1144 K1147 G1149 R1155 L1156E1144-A1152 HydrophobicContact CB-CB 3.83Å; K1147-A1152 WeakPolarHBondContact O-CB 3.28Å; G1149-A1152 WeakPolarHBondContact O-CB 3.45Å; G1149-A1152 PolarHBondContact O-N 2.79Å; A1152-R1155 PolarHBondContact O-N 2.9Å; A1152-L1156 WeakPolarHBondContact O-CB 3.37Å; A1152-L1156 PolarHBondContact O-N 3.49Å
1153R82.5Confident83.8Confident24 Ų2440 Ų409%0.09122%0.216CC..Hα-helixtrans-61.4-44.5176.1-67.2-175.8-175.7134-3.1112.3L1066 P1067 D1068 S1148 G1149 R1155 L1156 R1157L1066-R1153 HydrophobicContact CD2-CB 3.74Å; L1066-R1153 HydrophobicContact CD2-CG 4.32Å; P1067-R1153 PolarHBondContact O-NH2 3.41Å; D1068-R1153 IonicContact OD1-CZ 3.99Å; D1068-R1153 IonicContact OD1-NH1 3.98Å; D1068-R1153 PolarHBondContact OD1-NH1 2.89Å; D1068-R1153 IonicContact OD1-NH2 3.22Å; S1148-R1153 PolarHBondContact O-NE 3.42Å; S1148-R1153 VanDerWaalsContact O-NE 3.12Å; S1148-R1153 PolarHBondContact O-NH1 3.18Å; S1148-R1153 VanDerWaalsContact O-NH1 3.12Å; S1148-R1153 PolarHBondContact O-NH2 2.96Å; G1149-R1153 PolarHBondContact O-N 3.22Å; R1153-R1155 PolarHBondContact O-N 3.24Å; R1153-L1156 PolarHBondContact O-N 3.25Å; R1153-R1157 VanDerWaalsContact O-CB 3.26Å; R1153-R1157 WeakPolarHBondContact O-CB 3.46Å; R1153-R1157 PolarHBondContact O-N 2.87Å
1154L85.5Confident83.7Confident10 Ų1037.8 Ų37.85%0.05220%0.203CC..Hα-helixtrans-62.2-42177.1-75.5168000112.5I884 L1123 R1126 A1127 L1130 A1150 V1151 R1157 L1158I884-L1154 HydrophobicContact CD1-CD2 4.45Å; L1123-L1154 HydrophobicContact CD2-CD2 3.66Å; R1126-L1154 HydrophobicContact CB-CD1 4.14Å; R1126-L1154 HydrophobicContact CG-CD1 3.73Å; A1127-L1154 HydrophobicContact CB-CB 4.11Å; A1127-L1154 HydrophobicContact CB-CD1 4.29Å; L1130-L1154 HydrophobicContact CD1-CD1 3.7Å; A1150-L1154 VanDerWaalsContact O-CB 3.28Å; A1150-L1154 WeakPolarHBondContact O-CB 3.45Å; A1150-L1154 WeakPolarHBondContact O-CD1 3.31Å; A1150-L1154 WeakPolarHBondContact O-CG 3.27Å; A1150-L1154 PolarHBondContact O-N 3.31Å; V1151-L1154 PolarHBondContact O-N 2.93Å; L1154-R1157 PolarHBondContact O-N 3.14Å; L1154-L1158 WeakPolarHBondContact O-CB 3.47Å; L1154-L1158 PolarHBondContact O-N 2.86Å
1155R88.9Confident83.6Confident0 Ų043.8 Ų43.80%024%0.242CC..Hα-helixtrans-68.6-39.1175.4-70.3-176.468.8-165.5-2.3112.4A1127 A1138 V1141 E1144 V1151 A1152 R1153 L1158 I1159 F1183 E1186A1127-R1155 HydrophobicContact CB-CG 4.45Å; A1138-R1155 PolarHBondContact O-NH1 3.17Å; A1138-R1155 PolarHBondContact O-NH2 3.19Å; V1141-R1155 HydrophobicContact CB-CB 4.41Å; V1141-R1155 HydrophobicContact CG1-CB 3.85Å; V1141-R1155 HydrophobicContact CG2-CB 3.76Å; E1144-R1155 IonicContact OE1-CZ 3.33Å; E1144-R1155 IonicContact OE1-NH1 3.43Å; E1144-R1155 PolarHBondContact OE1-NH1 2.93Å; V1151-R1155 WeakPolarHBondContact O-CG 3.29Å; V1151-R1155 PolarHBondContact O-N 2.99Å; A1152-R1155 PolarHBondContact O-N 2.9Å; R1153-R1155 PolarHBondContact O-N 3.24Å; R1155-L1158 WeakPolarHBondContact O-CB 3.39Å; R1155-L1158 PolarHBondContact O-N 3.15Å; R1155-I1159 PolarHBondContact O-N 3.08Å; R1155-F1183 HydrophobicContact CG-CD1 4.37Å; R1155-F1183 HydrophobicContact CG-CE1 3.88Å; R1155-E1186 IonicContact CZ-OE1 3.09Å; R1155-E1186 IonicContact CZ-OE2 2.64Å; R1155-E1186 IonicContact NE-OE1 3.09Å; R1155-E1186 PolarHBondContact NE-OE1 3.29Å; R1155-E1186 IonicContact NE-OE2 2.7Å; R1155-E1186 IonicContact NH2-OE1 2.76Å; R1155-E1186 PolarHBondContact NH2-OE1 2.87Å; R1155-E1186 VanDerWaalsContact NH2-OE1 3.12Å; R1155-E1186 IonicContact NH2-OE2 3.97Å; R1155-E1186 PolarHBondContact NH2-OE2 3.48Å
1156L87.2Confident83.7Confident46 Ų4640.3 Ų40.324%0.24124%0.236CC..Hα-helixtrans-62.5-44.2174.4-179.861.4000111.1D1098 V1141 A1152 R1153 I1159 R1160D1098-L1156 HydrophobicContact CB-CD2 4.36Å; V1141-L1156 HydrophobicContact CG1-CB 3.98Å; A1152-L1156 WeakPolarHBondContact O-CB 3.37Å; A1152-L1156 PolarHBondContact O-N 3.49Å; R1153-L1156 PolarHBondContact O-N 3.25Å; L1156-I1159 PolarHBondContact O-N 3.13Å; L1156-R1160 WeakPolarHBondContact O-CB 3.3Å; L1156-R1160 WeakPolarHBondContact O-CG 3.33Å; L1156-R1160 PolarHBondContact O-N 3.49Å
1157R86.6Confident83.8Confident6 Ų636.7 Ų36.72%0.02321%0.213CC..Hα-helixtrans-65-38.8176.9-164.4170.5-170.1-172.2-5.4112.4E888 S1062 L1100 Y1119 R1153 L1154 R1160 F1161E888-R1157 IonicContact OE1-CZ 2.68Å; E888-R1157 IonicContact OE1-NE 2.78Å; E888-R1157 IonicContact OE1-NH1 3.75Å; E888-R1157 PolarHBondContact OE1-NH1 3.27Å; E888-R1157 IonicContact OE1-NH2 2.65Å; E888-R1157 PolarHBondContact OE1-NH2 3.35Å; E888-R1157 IonicContact OE2-CZ 2.63Å; E888-R1157 IonicContact OE2-NH1 3.13Å; E888-R1157 IonicContact OE2-NH2 2.88Å; E888-R1157 PolarHBondContact OE2-NH2 3.28Å; S1062-R1157 VanDerWaalsContact CB-NH1 3.29Å; S1062-R1157 PolarHBondContact OG-NH1 2.97Å; L1100-R1157 HydrophobicContact CD2-CG 3.79Å; Y1119-R1157 PolarHBondContact OH-NE 3.03Å; R1153-R1157 VanDerWaalsContact O-CB 3.26Å; R1153-R1157 WeakPolarHBondContact O-CB 3.46Å; R1153-R1157 PolarHBondContact O-N 2.87Å; L1154-R1157 PolarHBondContact O-N 3.14Å; R1157-R1160 PolarHBondContact O-N 3.38Å; R1157-F1161 WeakPolarHBondContact O-CB 3.31Å; R1157-F1161 PolarHBondContact O-N 3.18Å
1158L89.4Confident84.4Confident2 Ų234.9 Ų34.91%0.0121%0.21CC..Hα-helixtrans-60.2-49.2171.3176.363.2000111.3A1120 L1123 M1124 L1154 R1155 F1161 L1162 F1183 E1186A1120-L1158 HydrophobicContact CB-CD1 3.71Å; L1123-L1158 HydrophobicContact CB-CB 4.36Å; L1123-L1158 HydrophobicContact CB-CD1 4.41Å; L1123-L1158 HydrophobicContact CD1-CB 4.09Å; L1123-L1158 HydrophobicContact CD1-CD1 4.29Å; M1124-L1158 HydrophobicContact CG-CD1 4.41Å; M1124-L1158 HydrophobicContact CG-CD2 3.44Å; M1124-L1158 VanDerWaalsContact CG-CD2 3.44Å; M1124-L1158 HydrophobicContact SD-CD2 4.35Å; L1154-L1158 WeakPolarHBondContact O-CB 3.47Å; L1154-L1158 PolarHBondContact O-N 2.86Å; R1155-L1158 WeakPolarHBondContact O-CB 3.39Å; R1155-L1158 PolarHBondContact O-N 3.15Å; L1158-F1161 PolarHBondContact O-N 3.48Å; L1158-L1162 HydrophobicContact CD1-CD1 4.07Å; L1158-L1162 HydrophobicContact CD1-CG 4.15Å; L1158-L1162 HydrophobicContact CG-CD1 4.04Å; L1158-L1162 HydrophobicContact CG-CG 4.49Å; L1158-L1162 VanDerWaalsContact O-CG 3.25Å; L1158-L1162 WeakPolarHBondContact O-CG 3.43Å; L1158-L1162 PolarHBondContact O-N 3.32Å; L1158-F1183 HydrophobicContact CD2-CD1 4.12Å; L1158-F1183 HydrophobicContact CD2-CE1 4.28Å; L1158-E1186 HydrophobicContact CD2-CG 4.12Å
1159I88.1Confident85.1Confident32 Ų3232.3 Ų32.316%0.16419%0.19CC..Hα-helixtrans-61.9-45.8176.1-71.4-171.9000111.4V1141 R1155 L1156 F1161 L1162 V1163 E1185 E1186V1141-I1159 HydrophobicContact CB-CD1 4.31Å; V1141-I1159 HydrophobicContact CG2-CD1 3.43Å; V1141-I1159 VanDerWaalsContact CG2-CD1 3.43Å; V1141-I1159 HydrophobicContact CG2-CG1 4.26Å; R1155-I1159 PolarHBondContact O-N 3.08Å; L1156-I1159 PolarHBondContact O-N 3.13Å; I1159-F1161 PolarHBondContact O-N 3.08Å; I1159-L1162 PolarHBondContact O-N 2.99Å; I1159-V1163 HydrophobicContact CG2-CG2 4.22Å; I1159-V1163 WeakPolarHBondContact O-CB 3.38Å; I1159-V1163 VanDerWaalsContact O-CG2 3.31Å; I1159-V1163 WeakPolarHBondContact O-CG2 3.45Å; I1159-V1163 PolarHBondContact O-N 3.39Å; I1159-E1185 HydrophobicContact CD1-CB 4.34Å; I1159-E1185 VanDerWaalsContact CD1-CD 3.49Å; I1159-E1185 HydrophobicContact CD1-CG 3.78Å; I1159-E1185 WeakPolarHBondContact CD1-OE1 3.49Å; I1159-E1186 HydrophobicContact CD1-CG 4.12Å; I1159-E1186 HydrophobicContact CG1-CG 3.79Å
1160R87.2Confident85.6Confident78 Ų7832.7 Ų32.729%0.29419%0.19SC..Hα-helixtrans-57-39.5176.2-73.1176.8-178.9-154.51.5111.4D1096 D1098 L1100 L1156 R1157 H1164D1096-R1160 IonicContact OD1-NH1 2.73Å; D1096-R1160 IonicContact OD2-CZ 2.69Å; D1096-R1160 VanDerWaalsContact OD2-CZ 3.25Å; D1096-R1160 IonicContact OD2-NH1 2.82Å; D1096-R1160 PolarHBondContact OD2-NH1 2.87Å; D1096-R1160 IonicContact OD2-NH2 3.18Å; D1096-R1160 PolarHBondContact OD2-NH2 2.96Å; D1098-R1160 WeakPolarHBondContact O-CD 3.47Å; D1098-R1160 PolarHBondContact O-NH1 3.19Å; L1100-R1160 HydrophobicContact CD1-CB 4.14Å; L1100-R1160 HydrophobicContact CG-CB 4.49Å; L1156-R1160 WeakPolarHBondContact O-CB 3.3Å; L1156-R1160 WeakPolarHBondContact O-CG 3.33Å; L1156-R1160 PolarHBondContact O-N 3.49Å; R1157-R1160 PolarHBondContact O-N 3.38Å; R1160-H1164 WeakPolarHBondContact O-CB 3.29Å; R1160-H1164 PolarHBondContact O-N 3.45Å; R1160-H1164 VanDerWaalsContact O-N 3.12Å
1161F88.1Confident86.1Confident0 Ų032.3 Ų32.30%019%0.186CC..Hα-helixtrans-68.2-46.8175.2-176.1-106.7000112.8I891 F892 L1100 I1103 H1116 Y1119 A1120 R1157 L1158 I1159 V1163 H1164 A1167I891-F1161 HydrophobicContact CG2-CE2 4.27Å; F892-F1161 HydrophobicContact CZ-CD2 4.31Å; F892-F1161 HydrophobicContact CZ-CE2 4.49Å; L1100-F1161 HydrophobicContact CD1-CB 3.74Å; L1100-F1161 HydrophobicContact CD1-CD2 4.17Å; L1100-F1161 HydrophobicContact CD1-CG 4.49Å; I1103-F1161 HydrophobicContact CD1-CD2 4.49Å; I1103-F1161 HydrophobicContact CD1-CE2 3.94Å; H1116-F1161 HydrophobicContact CB-CE1 4.03Å; H1116-F1161 HydrophobicContact CB-CZ 3.63Å; H1116-F1161 AromaticContact CD2-CZ 3.7Å; H1116-F1161 AromaticContact CG-CZ 3.62Å; Y1119-F1161 HydrophobicContact CD1-CD1 4.01Å; Y1119-F1161 AromaticContact CD1-CD2 3.88Å; Y1119-F1161 HydrophobicContact CD1-CD2 3.88Å; Y1119-F1161 AromaticContact CD1-CE1 3.92Å; Y1119-F1161 HydrophobicContact CD1-CE1 3.92Å; Y1119-F1161 AromaticContact CD1-CE2 3.78Å; Y1119-F1161 HydrophobicContact CD1-CE2 3.78Å; Y1119-F1161 AromaticContact CD1-CG 3.98Å; Y1119-F1161 HydrophobicContact CD1-CG 3.98Å; Y1119-F1161 AromaticContact CD1-CZ 3.8Å; Y1119-F1161 HydrophobicContact CD1-CZ 3.8Å; Y1119-F1161 HydrophobicContact CE1-CD1 4.5Å; Y1119-F1161 AromaticContact CE1-CD2 3.88Å; Y1119-F1161 HydrophobicContact CE1-CD2 3.88Å; Y1119-F1161 HydrophobicContact CE1-CE2 4.18Å; Y1119-F1161 HydrophobicContact CE1-CG 4.04Å; A1120-F1161 HydrophobicContact CB-CD1 4.36Å; A1120-F1161 HydrophobicContact CB-CE1 4.37Å; R1157-F1161 WeakPolarHBondContact O-CB 3.31Å; R1157-F1161 PolarHBondContact O-N 3.18Å; L1158-F1161 PolarHBondContact O-N 3.48Å; I1159-F1161 PolarHBondContact O-N 3.08Å; F1161-V1163 VanDerWaalsContact C-N 3.26Å; F1161-V1163 PolarHBondContact O-N 3.31Å; F1161-H1164 WeakPolarHBondContact O-CB 3.32Å; F1161-H1164 PolarHBondContact O-N 2.92Å; F1161-A1167 HydrophobicContact CE2-CB 4.37Å; F1161-A1167 HydrophobicContact CZ-CB 4.37Å; F1161-A1167 WeakPolarHBondContact O-CB 3.48Å
1162L88.9Confident86.2Confident4 Ų434.8 Ų34.82%0.02120%0.204CC..Hα-helixtrans-62.9-32.7179.5-66.7172.7000112.4L1158 I1159 Y1169 L1174 E1186 F1189 L1190 K1193L1158-L1162 HydrophobicContact CD1-CD1 4.07Å; L1158-L1162 HydrophobicContact CD1-CG 4.15Å; L1158-L1162 HydrophobicContact CG-CD1 4.04Å; L1158-L1162 HydrophobicContact CG-CG 4.49Å; L1158-L1162 VanDerWaalsContact O-CG 3.25Å; L1158-L1162 WeakPolarHBondContact O-CG 3.43Å; L1158-L1162 PolarHBondContact O-N 3.32Å; I1159-L1162 PolarHBondContact O-N 2.99Å; L1162-Y1169 HydrophobicContact CD2-CD1 4.45Å; L1162-Y1169 HydrophobicContact CD2-CD2 4.22Å; L1162-Y1169 HydrophobicContact CD2-CE1 3.85Å; L1162-Y1169 HydrophobicContact CD2-CE2 3.56Å; L1162-Y1169 WeakPolarHBondContact CD2-OH 3.16Å; L1162-Y1169 PolarHBondContact O-OH 3.27Å; L1162-Y1169 VanDerWaalsContact O-OH 3.05Å; L1162-L1174 HydrophobicContact CD2-CD1 3.72Å; L1162-E1186 HydrophobicContact CD1-CB 4.45Å; L1162-F1189 HydrophobicContact CB-CD1 3.99Å; L1162-F1189 HydrophobicContact CB-CE1 3.81Å; L1162-F1189 VanDerWaalsContact O-CE1 3.29Å; L1162-F1189 WeakPolarHBondContact O-CE1 3.3Å; L1162-L1190 HydrophobicContact CD2-CD2 4.11Å; L1162-K1193 PolarHBondContact O-NZ 2.93Å
1163V86.1Confident86.5Confident85 Ų8540 Ų4052%0.51522%0.222SC..Hα-helixtrans-81.7-21.9177.6175.50000112.8I1159 F1161 F1189I1159-V1163 HydrophobicContact CG2-CG2 4.22Å; I1159-V1163 WeakPolarHBondContact O-CB 3.38Å; I1159-V1163 VanDerWaalsContact O-CG2 3.31Å; I1159-V1163 WeakPolarHBondContact O-CG2 3.45Å; I1159-V1163 PolarHBondContact O-N 3.39Å; F1161-V1163 VanDerWaalsContact C-N 3.26Å; F1161-V1163 PolarHBondContact O-N 3.31Å; V1163-F1189 HydrophobicContact CB-CZ 4.43Å; V1163-F1189 HydrophobicContact CG2-CE1 4.3Å; V1163-F1189 HydrophobicContact CG2-CE2 3.89Å; V1163-F1189 HydrophobicContact CG2-CZ 3.71Å
1164H84.8Confident86.8Confident42 Ų4239 Ų3919%0.19422%0.218CC..  trans-61131.7-173.9-175.6-90.2000112.6I1103 R1160 F1161 G1166 A1167I1103-H1164 WeakPolarHBondContact CD1-ND1 3.37Å; R1160-H1164 WeakPolarHBondContact O-CB 3.29Å; R1160-H1164 PolarHBondContact O-N 3.45Å; R1160-H1164 VanDerWaalsContact O-N 3.12Å; F1161-H1164 WeakPolarHBondContact O-CB 3.32Å; F1161-H1164 PolarHBondContact O-N 2.92Å; H1164-G1166 VanDerWaalsContact C-N 3.28Å; H1164-G1166 PolarHBondContact ND1-N 3.3Å; H1164-G1166 VanDerWaalsContact ND1-N 3.15Å; H1164-G1166 PolarHBondContact O-N 3.11Å; H1164-A1167 HydrophobicContact CB-CB 4.21Å; H1164-A1167 VanDerWaalsContact O-CB 3.3Å; H1164-A1167 WeakPolarHBondContact O-CB 3.34Å; H1164-A1167 PolarHBondContact O-N 2.92Å
1165P80.9Confident86.9Confident131 Ų13140 Ų4085%0.85122%0.223SC*.THydrogen-bonded Turntrans-64.6-27.8-171.924.3-34.7000114.2A1167P1165-A1167 VanDerWaalsContact C-N 3.33Å
1166G80.2Confident86.9Confident36 Ų3643.9 Ų43.937%0.37126%0.256SS..THydrogen-bonded Turntrans-81.1-2.3174.200000115.3H1116 H1164 N1168H1116-G1166 PolarHBondContact CE1-O 3.22Å; H1164-G1166 VanDerWaalsContact C-N 3.28Å; H1164-G1166 PolarHBondContact ND1-N 3.3Å; H1164-G1166 VanDerWaalsContact ND1-N 3.15Å; H1164-G1166 PolarHBondContact O-N 3.11Å; G1166-N1168 PolarHBondContact O-N 3.47Å; G1166-N1168 VanDerWaalsContact O-N 3.16Å
1167A83.4Confident86.9Confident10 Ų1047.9 Ų47.98%0.08327%0.272CS..  trans-86.287.2-17400000112.2I1103 F1161 H1164 P1165 Y1169I1103-A1167 HydrophobicContact CD1-CB 4.28Å; F1161-A1167 HydrophobicContact CE2-CB 4.37Å; F1161-A1167 HydrophobicContact CZ-CB 4.37Å; F1161-A1167 WeakPolarHBondContact O-CB 3.48Å; H1164-A1167 HydrophobicContact CB-CB 4.21Å; H1164-A1167 VanDerWaalsContact O-CB 3.3Å; H1164-A1167 WeakPolarHBondContact O-CB 3.34Å; H1164-A1167 PolarHBondContact O-N 2.92Å; P1165-A1167 VanDerWaalsContact C-N 3.33Å; A1167-Y1169 HydrophobicContact CB-CD1 3.97Å; A1167-Y1169 HydrophobicContact CB-CE1 4.02Å; A1167-Y1169 WeakPolarHBondContact O-CD1 3.24Å; A1167-Y1169 VanDerWaalsContact O-CE1 3.31Å; A1167-Y1169 WeakPolarHBondContact O-CE1 3.37Å
1168N86.3Confident86.8Confident96 Ų9647.8 Ų47.851%0.51327%0.272SS..  trans-79.6118.4167.1177.95.7000110.4V1112 H1116 G1166V1112-N1168 HydrophobicContact CG1-CB 4.25Å; H1116-N1168 WeakPolarHBondContact CB-O 3.41Å; H1116-N1168 PolarHBondContact ND1-N 3.32Å; H1116-N1168 PolarHBondContact ND1-O 3.35Å; G1166-N1168 PolarHBondContact O-N 3.47Å; G1166-N1168 VanDerWaalsContact O-N 3.16Å
1169Y87.9Confident86.5Confident15 Ų1548.7 Ų48.76%0.05928%0.277CS..  trans-155.1158.9-18058.3-96.5000112.4C1113 L1162 A1167 C1171 L1174 L1190 K1193C1113-Y1169 VanDerWaalsContact SG-C 3.58Å; L1162-Y1169 HydrophobicContact CD2-CD1 4.45Å; L1162-Y1169 HydrophobicContact CD2-CD2 4.22Å; L1162-Y1169 HydrophobicContact CD2-CE1 3.85Å; L1162-Y1169 HydrophobicContact CD2-CE2 3.56Å; L1162-Y1169 WeakPolarHBondContact CD2-OH 3.16Å; L1162-Y1169 PolarHBondContact O-OH 3.27Å; L1162-Y1169 VanDerWaalsContact O-OH 3.05Å; A1167-Y1169 HydrophobicContact CB-CD1 3.97Å; A1167-Y1169 HydrophobicContact CB-CE1 4.02Å; A1167-Y1169 WeakPolarHBondContact O-CD1 3.24Å; A1167-Y1169 VanDerWaalsContact O-CE1 3.31Å; A1167-Y1169 WeakPolarHBondContact O-CE1 3.37Å; Y1169-C1171 WeakPolarHBondContact CE2-SG 3.41Å; Y1169-C1171 PolarHBondContact O-N 2.96Å; Y1169-C1171 VanDerWaalsContact O-N 3.12Å; Y1169-L1174 HydrophobicContact CD2-CD1 3.36Å; Y1169-L1174 HydrophobicContact CD2-CG 4.32Å; Y1169-L1174 HydrophobicContact CE2-CD1 3.73Å; Y1169-L1174 HydrophobicContact CG-CD1 4.12Å; Y1169-L1190 HydrophobicContact CE2-CD2 3.71Å; Y1169-K1193 WeakPolarHBondContact OH-CD 3.5Å; Y1169-K1193 PolarHBondContact OH-NZ 2.96Å
1170S88.1Confident86.4Confident23 Ų2354.2 Ų54.216%0.16130%0.297CS..  trans-82.394.9-177-178.10000111.3C1113 T1117 S1172 R1173 L1174C1113-S1170 PolarHBondContact SG-N 3.38Å; T1117-S1170 PolarHBondContact OG1-N 3.07Å; S1170-S1172 PolarHBondContact O-N 3Å; S1170-S1172 PolarHBondContact OG-OG 2.99Å; S1170-R1173 PolarHBondContact O-N 3.05Å; S1170-R1173 VanDerWaalsContact O-N 3.14Å; S1170-R1173 WeakPolarHBondContact OG-CD 3.35Å; S1170-R1173 VanDerWaalsContact OG-CG 3.32Å; S1170-R1173 WeakPolarHBondContact OG-CG 3.27Å; S1170-R1173 PolarHBondContact OG-N 3.44Å; S1170-L1174 PolarHBondContact O-N 3.39Å
1171C88.7Confident86.2Confident16 Ų1654.7 Ų54.711%0.10831%0.306CS..Hα-helixtrans-56.5-33.5-179-64.90000112.9Y1169 L1175 L1190 L1194Y1169-C1171 WeakPolarHBondContact CE2-SG 3.41Å; Y1169-C1171 PolarHBondContact O-N 2.96Å; Y1169-C1171 VanDerWaalsContact O-N 3.12Å; C1171-L1175 VanDerWaalsContact O-CB 3.27Å; C1171-L1175 WeakPolarHBondContact O-CB 3.42Å; C1171-L1175 PolarHBondContact O-N 3.09Å; C1171-L1190 HydrophobicContact CB-CD2 4.27Å; C1171-L1194 HydrophobicContact CB-CD1 4.05Å; C1171-L1194 HydrophobicContact CB-CD2 3.73Å; C1171-L1194 HydrophobicContact CB-CG 3.62Å
1172S87.9Confident86.2Confident68 Ų6854.8 Ų54.848%0.47631%0.307SS..Hα-helixtrans-70.3-42.5176.951.80000112.9S1170 L1174 L1175 A1176S1170-S1172 PolarHBondContact O-N 3Å; S1170-S1172 PolarHBondContact OG-OG 2.99Å; S1172-L1174 VanDerWaalsContact C-N 3.34Å; S1172-L1175 PolarHBondContact O-N 3.14Å; S1172-A1176 WeakPolarHBondContact O-CB 3.37Å; S1172-A1176 PolarHBondContact O-N 3.46Å
1173R88.8Confident86.2Confident117 Ų11754.7 Ų54.744%0.44231%0.306SS..Hα-helixtrans-67.5-33.4175.6-68.8172.169.9-153.31112.2D1114 T1117 S1170D1114-R1173 IonicContact OD1-CZ 3.95Å; D1114-R1173 IonicContact OD1-NH1 3.86Å; D1114-R1173 PolarHBondContact OD1-NH1 3.07Å; D1114-R1173 IonicContact OD1-NH2 2.72Å; D1114-R1173 PolarHBondContact OD1-NH2 3.36Å; T1117-R1173 HydrophobicContact CG2-CB 3.95Å; S1170-R1173 PolarHBondContact O-N 3.05Å; S1170-R1173 VanDerWaalsContact O-N 3.14Å; S1170-R1173 WeakPolarHBondContact OG-CD 3.35Å; S1170-R1173 VanDerWaalsContact OG-CG 3.32Å; S1170-R1173 WeakPolarHBondContact OG-CG 3.27Å; S1170-R1173 PolarHBondContact OG-N 3.44Å
1174L89.6Confident86.4Confident1 Ų150.6 Ų50.61%0.00528%0.281CS..Hα-helixtrans-69.6-46.6172-66.5-172.7000112.1T1117 A1120 V1121 L1162 Y1169 S1170 S1172 A1176 K1177 C1178 L1190T1117-L1174 HydrophobicContact CG2-CD2 3.71Å; T1117-L1174 HydrophobicContact CG2-CG 4.18Å; T1117-L1174 WeakPolarHBondContact O-CD2 3.34Å; A1120-L1174 HydrophobicContact CB-CD1 3.79Å; A1120-L1174 HydrophobicContact CB-CD2 3.75Å; A1120-L1174 HydrophobicContact CB-CG 4.46Å; V1121-L1174 HydrophobicContact CG2-CD2 3.71Å; L1162-L1174 HydrophobicContact CD2-CD1 3.72Å; Y1169-L1174 HydrophobicContact CD2-CD1 3.36Å; Y1169-L1174 HydrophobicContact CD2-CG 4.32Å; Y1169-L1174 HydrophobicContact CE2-CD1 3.73Å; Y1169-L1174 HydrophobicContact CG-CD1 4.12Å; S1170-L1174 PolarHBondContact O-N 3.39Å; S1172-L1174 VanDerWaalsContact C-N 3.34Å; L1174-A1176 VanDerWaalsContact C-N 3.28Å; L1174-A1176 PolarHBondContact O-N 3.06Å; L1174-K1177 CarbonylContact O-C 3.56Å; L1174-K1177 WeakPolarHBondContact O-CA 3.41Å; L1174-K1177 PolarHBondContact O-N 3.47Å; L1174-C1178 PolarHBondContact O-N 3.15Å; L1174-C1178 VanDerWaalsContact O-N 3.11Å; L1174-C1178 PolarHBondContact O-SG 3.26Å; L1174-L1190 HydrophobicContact CB-CD1 3.78Å; L1174-L1190 HydrophobicContact CB-CD2 4.07Å; L1174-L1190 HydrophobicContact CD1-CD2 3.95Å
1175L88.4Confident86.6Confident31 Ų3149 Ų4916%0.16227%0.274CS..Hα-helixtrans-59.4-39.8178.9-175.866.9000111.8C1171 S1172 K1177 C1178 R1187 L1191 L1194C1171-L1175 VanDerWaalsContact O-CB 3.27Å; C1171-L1175 WeakPolarHBondContact O-CB 3.42Å; C1171-L1175 PolarHBondContact O-N 3.09Å; S1172-L1175 PolarHBondContact O-N 3.14Å; L1175-K1177 PolarHBondContact O-N 3.38Å; L1175-C1178 WeakPolarHBondContact O-CB 3.36Å; L1175-C1178 PolarHBondContact O-N 2.96Å; L1175-C1178 VanDerWaalsContact O-N 3.13Å; L1175-R1187 HydrophobicContact CD1-CG 3.6Å; L1175-L1191 HydrophobicContact CD1-CD1 4.48Å; L1175-L1191 HydrophobicContact CD1-CD2 4.34Å; L1175-L1191 HydrophobicContact CD1-CG 4.05Å; L1175-L1191 HydrophobicContact CD2-CD2 3.59Å; L1175-L1191 HydrophobicContact CD2-CG 4.14Å; L1175-L1194 HydrophobicContact CB-CD1 4.46Å; L1175-L1194 HydrophobicContact CD2-CD1 3.84Å
1176A87.7Confident87.1Confident83 Ų8343 Ų4369%0.68623%0.234SC*.THydrogen-bonded Turntrans-66.1-16.6175.100000114.4S1172 L1174S1172-A1176 WeakPolarHBondContact O-CB 3.37Å; S1172-A1176 PolarHBondContact O-N 3.46Å; L1174-A1176 VanDerWaalsContact C-N 3.28Å; L1174-A1176 PolarHBondContact O-N 3.06Å
1177K87.1Confident87.6Confident130 Ų13041.7 Ų41.757%0.56522%0.218SC*.THydrogen-bonded Turntrans-103.2-0.2173.9-73.2-174167.9-163.90113.3V1121 M1124 L1174 L1175V1121-K1177 HydrophobicContact CB-CD 4.34Å; V1121-K1177 HydrophobicContact CG1-CD 3.83Å; V1121-K1177 HydrophobicContact CG2-CB 4.41Å; V1121-K1177 HydrophobicContact CG2-CD 3.45Å; V1121-K1177 VanDerWaalsContact CG2-CD 3.45Å; M1124-K1177 WeakPolarHBondContact CE-O 3.39Å; L1174-K1177 CarbonylContact O-C 3.56Å; L1174-K1177 WeakPolarHBondContact O-CA 3.41Å; L1174-K1177 PolarHBondContact O-N 3.47Å; L1175-K1177 PolarHBondContact O-N 3.38Å
1178C84.8Confident88Confident4 Ų441.2 Ų41.23%0.02721%0.214CC..SBendtrans-76.1119.1174.1-66.80000110.1M1124 L1174 L1175 R1187M1124-C1178 HydrophobicContact CE-CB 4.21Å; L1174-C1178 PolarHBondContact O-N 3.15Å; L1174-C1178 VanDerWaalsContact O-N 3.11Å; L1174-C1178 PolarHBondContact O-SG 3.26Å; L1175-C1178 WeakPolarHBondContact O-CB 3.36Å; L1175-C1178 PolarHBondContact O-N 2.96Å; L1175-C1178 VanDerWaalsContact O-N 3.13Å; C1178-R1187 VanDerWaalsContact CB-NH1 3.35Å; C1178-R1187 PolarHBondContact O-NH1 3.35Å; C1178-R1187 PolarHBondContact O-NH2 3.45Å
1179P84.2Confident88.2Confident20 Ų2039.3 Ų39.313%0.1320%0.202CC..  trans-58.6148.7177.729.8-38.6000110.6D1181 A1182 F1183 R1187P1179-D1181 PolarHBondContact O-N 3.12Å; P1179-A1182 HydrophobicContact CG-CB 3.89Å; P1179-F1183 HydrophobicContact CG-CD2 3.59Å; P1179-F1183 HydrophobicContact CG-CE2 4.09Å; P1179-R1187 PolarHBondContact O-NH1 2.95Å
1180Y84.5Confident88.3Confident149 Ų14938.7 Ų38.758%0.58420%0.199SC*.THydrogen-bonded Turntrans-72.1-18.8-172.4-61.1-79.2000113.4G1323 I1324 V1325Y1180-G1323 WeakPolarHBondContact CD1-O 3.37Å; Y1180-I1324 CarbonylContact O-C 3.49Å; Y1180-I1324 VanDerWaalsContact O-CA 3.22Å; Y1180-I1324 WeakPolarHBondContact O-CA 3.27Å; Y1180-V1325 PolarHBondContact O-N 3.13Å
1181D84.8Confident88.3Confident88 Ų8837.8 Ų37.847%0.47119%0.193SC..THydrogen-bonded Turntrans-110.44.1-172.762.4-35.8000114.2P1179 F1184P1179-D1181 PolarHBondContact O-N 3.12Å; D1181-F1184 VanDerWaalsContact O-CE2 3.24Å; D1181-F1184 WeakPolarHBondContact O-CE2 3.49Å; D1181-F1184 WeakPolarHBondContact O-CZ 3.4Å
1182A86.7Confident88.3Confident2 Ų237.5 Ų37.52%0.01719%0.191CC..SBendtrans-151.4179.4-177.600000113.9F1137 P1179 F1184F1137-A1182 HydrophobicContact CB-CB 3.76Å; F1137-A1182 HydrophobicContact CD2-CB 3.44Å; F1137-A1182 VanDerWaalsContact CD2-CB 3.44Å; F1137-A1182 HydrophobicContact CE2-CB 4.22Å; F1137-A1182 HydrophobicContact CG-CB 3.7Å; P1179-A1182 HydrophobicContact CG-CB 3.89Å; A1182-F1184 VanDerWaalsContact C-N 3.32Å; A1182-F1184 PolarHBondContact O-N 3.14Å
1183F89.6Confident88.2Confident1 Ų138.6 Ų38.60%0.00419%0.187CC..  trans55.140.7178.9-61.3-100.9000113.6M1124 A1127 Q1128 F1137 R1155 L1158 P1179 E1186 R1187M1124-F1183 HydrophobicContact CB-CE1 4.32Å; M1124-F1183 HydrophobicContact CB-CZ 4.47Å; M1124-F1183 HydrophobicContact CG-CD1 4.27Å; M1124-F1183 HydrophobicContact CG-CE1 4.14Å; A1127-F1183 HydrophobicContact CB-CE1 4.18Å; A1127-F1183 HydrophobicContact CB-CZ 3.86Å; Q1128-F1183 HydrophobicContact CG-CE2 3.79Å; Q1128-F1183 HydrophobicContact CG-CZ 4.13Å; F1137-F1183 HydrophobicContact CD1-CE2 4.31Å; F1137-F1183 HydrophobicContact CD1-CZ 4.48Å; F1137-F1183 AromaticContact CE1-CE2 3.89Å; F1137-F1183 HydrophobicContact CE1-CE2 3.89Å; F1137-F1183 AromaticContact CE1-CZ 3.84Å; F1137-F1183 HydrophobicContact CE1-CZ 3.84Å; F1137-F1183 HydrophobicContact CE2-CE2 4.19Å; F1137-F1183 AromaticContact CZ-CE2 3.83Å; F1137-F1183 HydrophobicContact CZ-CE2 3.83Å; F1137-F1183 HydrophobicContact CZ-CZ 4.04Å; R1155-F1183 HydrophobicContact CG-CD1 4.37Å; R1155-F1183 HydrophobicContact CG-CE1 3.88Å; L1158-F1183 HydrophobicContact CD2-CD1 4.12Å; L1158-F1183 HydrophobicContact CD2-CE1 4.28Å; P1179-F1183 HydrophobicContact CG-CD2 3.59Å; P1179-F1183 HydrophobicContact CG-CE2 4.09Å; F1183-E1186 VanDerWaalsContact CA-OE2 3.23Å; F1183-E1186 WeakPolarHBondContact CA-OE2 3.31Å; F1183-E1186 HydrophobicContact CB-CB 4.29Å; F1183-E1186 HydrophobicContact CD1-CG 4.46Å; F1183-E1186 WeakPolarHBondContact CD1-OE1 3.44Å; F1183-E1186 PolarHBondContact O-N 2.76Å; F1183-R1187 WeakPolarHBondContact O-CB 3.38Å; F1183-R1187 PolarHBondContact O-N 3.02Å
1184F89.7Confident88.1Confident0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-69.9-35.8-171.4-59.4-71.7000114.2F1139 D1181 A1182 E1186 R1187 A1188 L1207 L1208 I1324F1139-F1184 AromaticContact CD1-CD2 3.49Å; F1139-F1184 HydrophobicContact CD1-CD2 3.49Å; F1139-F1184 VanDerWaalsContact CD1-CD2 3.49Å; F1139-F1184 AromaticContact CD1-CE2 3.65Å; F1139-F1184 HydrophobicContact CD1-CE2 3.65Å; F1139-F1184 HydrophobicContact CD1-CG 4.29Å; F1139-F1184 HydrophobicContact CE1-CD2 4.05Å; F1139-F1184 AromaticContact CE1-CE2 3.7Å; F1139-F1184 HydrophobicContact CE1-CE2 3.7Å; F1139-F1184 HydrophobicContact CE1-CZ 4.34Å; F1139-F1184 HydrophobicContact CG-CD2 4.5Å; D1181-F1184 VanDerWaalsContact O-CE2 3.24Å; D1181-F1184 WeakPolarHBondContact O-CE2 3.49Å; D1181-F1184 WeakPolarHBondContact O-CZ 3.4Å; A1182-F1184 VanDerWaalsContact C-N 3.32Å; A1182-F1184 PolarHBondContact O-N 3.14Å; F1184-E1186 VanDerWaalsContact C-N 3.33Å; F1184-R1187 PolarHBondContact O-N 3.18Å; F1184-A1188 WeakPolarHBondContact O-CB 3.25Å; F1184-A1188 PolarHBondContact O-N 2.75Å; F1184-L1207 HydrophobicContact CB-CD2 3.84Å; F1184-L1207 HydrophobicContact CD1-CD2 3.41Å; F1184-L1207 VanDerWaalsContact CD1-CD2 3.41Å; F1184-L1207 HydrophobicContact CD2-CD2 4.32Å; F1184-L1207 HydrophobicContact CE1-CD2 3.94Å; F1184-L1207 HydrophobicContact CG-CD2 3.6Å; F1184-L1208 HydrophobicContact CB-CD2 4.04Å; F1184-I1324 HydrophobicContact CD1-CG2 3.91Å; F1184-I1324 HydrophobicContact CE1-CB 3.99Å; F1184-I1324 HydrophobicContact CE1-CG2 3.75Å
1185E89.8Confident87.9Confident9 Ų940.1 Ų40.14%0.04220%0.204CC..Hα-helixtrans-64.7-41.9176-172.7178.116700110.6K1140 V1141 I1159 F1189 L1208 R1213K1140-E1185 WeakPolarHBondContact CA-OE2 3.41Å; K1140-E1185 WeakPolarHBondContact CB-OE2 3.41Å; V1141-E1185 PolarHBondContact N-OE2 2.85Å; I1159-E1185 HydrophobicContact CD1-CB 4.34Å; I1159-E1185 VanDerWaalsContact CD1-CD 3.49Å; I1159-E1185 HydrophobicContact CD1-CG 3.78Å; I1159-E1185 WeakPolarHBondContact CD1-OE1 3.49Å; E1185-F1189 PolarHBondContact O-N 3.41Å; E1185-L1208 HydrophobicContact CB-CD2 4.15Å; E1185-R1213 IonicContact OE1-CZ 2.73Å; E1185-R1213 IonicContact OE1-NH1 3.5Å; E1185-R1213 PolarHBondContact OE1-NH1 2.95Å; E1185-R1213 IonicContact OE1-NH2 3.75Å; E1185-R1213 PolarHBondContact OE1-NH2 2.93Å
1186E90.9Very high87.8Confident3 Ų343.6 Ų43.61%0.01422%0.218CC..Hα-helixtrans-67.9-43.5175.8-53.992.9140.300111.3R1155 L1158 I1159 L1162 F1183 F1184 A1188 F1189 L1190R1155-E1186 IonicContact CZ-OE1 3.09Å; R1155-E1186 IonicContact CZ-OE2 2.64Å; R1155-E1186 IonicContact NE-OE1 3.09Å; R1155-E1186 PolarHBondContact NE-OE1 3.29Å; R1155-E1186 IonicContact NE-OE2 2.7Å; R1155-E1186 IonicContact NH2-OE1 2.76Å; R1155-E1186 PolarHBondContact NH2-OE1 2.87Å; R1155-E1186 VanDerWaalsContact NH2-OE1 3.12Å; R1155-E1186 IonicContact NH2-OE2 3.97Å; R1155-E1186 PolarHBondContact NH2-OE2 3.48Å; L1158-E1186 HydrophobicContact CD2-CG 4.12Å; I1159-E1186 HydrophobicContact CD1-CG 4.12Å; I1159-E1186 HydrophobicContact CG1-CG 3.79Å; L1162-E1186 HydrophobicContact CD1-CB 4.45Å; F1183-E1186 VanDerWaalsContact CA-OE2 3.23Å; F1183-E1186 WeakPolarHBondContact CA-OE2 3.31Å; F1183-E1186 HydrophobicContact CB-CB 4.29Å; F1183-E1186 HydrophobicContact CD1-CG 4.46Å; F1183-E1186 WeakPolarHBondContact CD1-OE1 3.44Å; F1183-E1186 PolarHBondContact O-N 2.76Å; F1184-E1186 VanDerWaalsContact C-N 3.33Å; E1186-A1188 PolarHBondContact O-N 2.71Å; E1186-F1189 PolarHBondContact O-N 3.03Å; E1186-L1190 WeakPolarHBondContact O-CG 3.45Å; E1186-L1190 PolarHBondContact O-N 2.73Å
1187R91.3Very high87.9Confident9 Ų940 Ų403%0.03419%0.187CC..Hα-helixtrans-58.9-45.3175.5-163.8-167.3-140792.4111.9L1175 C1178 P1179 F1183 F1184 F1189 L1190 L1191 L1203 G1323L1175-R1187 HydrophobicContact CD1-CG 3.6Å; C1178-R1187 VanDerWaalsContact CB-NH1 3.35Å; C1178-R1187 PolarHBondContact O-NH1 3.35Å; C1178-R1187 PolarHBondContact O-NH2 3.45Å; P1179-R1187 PolarHBondContact O-NH1 2.95Å; F1183-R1187 WeakPolarHBondContact O-CB 3.38Å; F1183-R1187 PolarHBondContact O-N 3.02Å; F1184-R1187 PolarHBondContact O-N 3.18Å; R1187-F1189 VanDerWaalsContact C-N 3.34Å; R1187-F1189 PolarHBondContact O-N 2.94Å; R1187-L1190 PolarHBondContact O-N 3.08Å; R1187-L1191 HydrophobicContact CG-CD1 4.14Å; R1187-L1191 WeakPolarHBondContact O-CB 3.41Å; R1187-L1191 WeakPolarHBondContact O-CG 3.37Å; R1187-L1191 PolarHBondContact O-N 2.9Å; R1187-L1203 HydrophobicContact CB-CD1 4.42Å; R1187-L1203 HydrophobicContact CG-CD1 4.24Å; R1187-G1323 VanDerWaalsContact CZ-O 3.28Å; R1187-G1323 PolarHBondContact NE-O 3.43Å; R1187-G1323 PolarHBondContact NH2-O 2.94Å
1188A90.9Very high88Confident0 Ų036.8 Ų36.80%017%0.174CC..Hα-helixtrans-62.1-42178.600000111.6F1184 E1186 L1191 A1192 A1200 L1203 W1204 L1208F1184-A1188 WeakPolarHBondContact O-CB 3.25Å; F1184-A1188 PolarHBondContact O-N 2.75Å; E1186-A1188 PolarHBondContact O-N 2.71Å; A1188-L1191 PolarHBondContact O-N 2.83Å; A1188-A1192 WeakPolarHBondContact O-CB 3.32Å; A1188-A1192 PolarHBondContact O-N 2.86Å; A1188-A1200 WeakPolarHBondContact O-CB 3.28Å; A1188-L1203 HydrophobicContact CB-CB 3.86Å; A1188-L1203 HydrophobicContact CB-CD1 4.04Å; A1188-W1204 HydrophobicContact CB-CD2 4.36Å; A1188-W1204 HydrophobicContact CB-CG 4.4Å; A1188-W1204 HydrophobicContact CB-CZ2 4.49Å; A1188-L1208 HydrophobicContact CB-CD1 3.83Å
1189F90.3Very high88.3Confident56 Ų5639 Ų3925%0.24618%0.184CC..Hα-helixtrans-66.3-39.4176.2-173.6-96.6000113L1162 V1163 E1185 E1186 R1187 A1192 K1193L1162-F1189 HydrophobicContact CB-CD1 3.99Å; L1162-F1189 HydrophobicContact CB-CE1 3.81Å; L1162-F1189 VanDerWaalsContact O-CE1 3.29Å; L1162-F1189 WeakPolarHBondContact O-CE1 3.3Å; V1163-F1189 HydrophobicContact CB-CZ 4.43Å; V1163-F1189 HydrophobicContact CG2-CE1 4.3Å; V1163-F1189 HydrophobicContact CG2-CE2 3.89Å; V1163-F1189 HydrophobicContact CG2-CZ 3.71Å; E1185-F1189 PolarHBondContact O-N 3.41Å; E1186-F1189 PolarHBondContact O-N 3.03Å; R1187-F1189 VanDerWaalsContact C-N 3.34Å; R1187-F1189 PolarHBondContact O-N 2.94Å; F1189-A1192 PolarHBondContact O-N 3.26Å; F1189-K1193 HydrophobicContact CE1-CD 3.9Å; F1189-K1193 HydrophobicContact CE1-CG 4.46Å; F1189-K1193 HydrophobicContact CZ-CD 4.31Å; F1189-K1193 PolarHBondContact O-N 2.9Å; F1189-K1193 VanDerWaalsContact O-N 3.14Å
1190L90.4Very high88.6Confident2 Ų238 Ų381%0.0118%0.178CC..Hα-helixtrans-65.3-40.4174.5-70.1173000112.5L1162 Y1169 C1171 L1174 E1186 R1187 K1193 L1194L1162-L1190 HydrophobicContact CD2-CD2 4.11Å; Y1169-L1190 HydrophobicContact CE2-CD2 3.71Å; C1171-L1190 HydrophobicContact CB-CD2 4.27Å; L1174-L1190 HydrophobicContact CB-CD1 3.78Å; L1174-L1190 HydrophobicContact CB-CD2 4.07Å; L1174-L1190 HydrophobicContact CD1-CD2 3.95Å; E1186-L1190 WeakPolarHBondContact O-CG 3.45Å; E1186-L1190 PolarHBondContact O-N 2.73Å; R1187-L1190 PolarHBondContact O-N 3.08Å; L1190-K1193 PolarHBondContact O-N 3.05Å; L1190-L1194 WeakPolarHBondContact O-CG 3.27Å; L1190-L1194 PolarHBondContact O-N 3.5Å
1191L89Confident88.9Confident5 Ų531 Ų313%0.02615%0.15CC..Hα-helixtrans-65.8-38174.8-75.8162.4000112L1175 R1187 A1188 L1194 K1196 H1199 A1200 L1203L1175-L1191 HydrophobicContact CD1-CD1 4.48Å; L1175-L1191 HydrophobicContact CD1-CD2 4.34Å; L1175-L1191 HydrophobicContact CD1-CG 4.05Å; L1175-L1191 HydrophobicContact CD2-CD2 3.59Å; L1175-L1191 HydrophobicContact CD2-CG 4.14Å; R1187-L1191 HydrophobicContact CG-CD1 4.14Å; R1187-L1191 WeakPolarHBondContact O-CB 3.41Å; R1187-L1191 WeakPolarHBondContact O-CG 3.37Å; R1187-L1191 PolarHBondContact O-N 2.9Å; A1188-L1191 PolarHBondContact O-N 2.83Å; L1191-L1194 PolarHBondContact O-N 3.34Å; L1191-L1194 VanDerWaalsContact O-N 3.15Å; L1191-K1196 HydrophobicContact CB-CB 4.41Å; L1191-K1196 HydrophobicContact CD2-CB 3.85Å; L1191-K1196 HydrophobicContact CD2-CD 3.77Å; L1191-K1196 HydrophobicContact CD2-CG 4.38Å; L1191-K1196 PolarHBondContact O-N 3.49Å; L1191-K1196 VanDerWaalsContact O-N 3.12Å; L1191-H1199 HydrophobicContact CD1-CB 3.98Å; L1191-H1199 HydrophobicContact CD2-CB 4.09Å; L1191-H1199 HydrophobicContact CG-CB 4.48Å; L1191-A1200 HydrophobicContact CB-CB 3.95Å; L1191-L1203 HydrophobicContact CD1-CD1 3.49Å; L1191-L1203 VanDerWaalsContact CD1-CD1 3.49Å
1192A88.5Confident89.2Confident9 Ų926.8 Ų26.87%0.07413%0.127CC..Hα-helixtrans-62.9-40.5176.700000112.7A1188 F1189 L1194 A1200 W1204A1188-A1192 WeakPolarHBondContact O-CB 3.32Å; A1188-A1192 PolarHBondContact O-N 2.86Å; F1189-A1192 PolarHBondContact O-N 3.26Å; A1192-L1194 VanDerWaalsContact C-N 3.29Å; A1192-L1194 PolarHBondContact O-N 2.94Å; A1192-A1200 HydrophobicContact CB-CB 3.89Å; A1192-W1204 HydrophobicContact CB-CH2 3.44Å; A1192-W1204 VanDerWaalsContact CB-CH2 3.44Å; A1192-W1204 HydrophobicContact CB-CZ2 4.21Å; A1192-W1204 HydrophobicContact CB-CZ3 4.08Å
1193K86.2Confident89.3Confident91 Ų9126.7 Ų26.740%0.39613%0.127SC..Hα-helixtrans-72.7-13.2173.4-81.2-170.7172.4-177.50114.6L1162 Y1169 F1189 L1190L1162-K1193 PolarHBondContact O-NZ 2.93Å; Y1169-K1193 WeakPolarHBondContact OH-CD 3.5Å; Y1169-K1193 PolarHBondContact OH-NZ 2.96Å; F1189-K1193 HydrophobicContact CE1-CD 3.9Å; F1189-K1193 HydrophobicContact CE1-CG 4.46Å; F1189-K1193 HydrophobicContact CZ-CD 4.31Å; F1189-K1193 PolarHBondContact O-N 2.9Å; F1189-K1193 VanDerWaalsContact O-N 3.14Å; L1190-K1193 PolarHBondContact O-N 3.05Å
1194L86.3Confident89.4Confident56 Ų5627.2 Ų27.229%0.29313%0.129SC..THydrogen-bonded Turntrans-96.713.5176.9-75.6169.5000113.1C1171 L1175 L1190 L1191 A1192 K1196C1171-L1194 HydrophobicContact CB-CD1 4.05Å; C1171-L1194 HydrophobicContact CB-CD2 3.73Å; C1171-L1194 HydrophobicContact CB-CG 3.62Å; L1175-L1194 HydrophobicContact CB-CD1 4.46Å; L1175-L1194 HydrophobicContact CD2-CD1 3.84Å; L1190-L1194 WeakPolarHBondContact O-CG 3.27Å; L1190-L1194 PolarHBondContact O-N 3.5Å; L1191-L1194 PolarHBondContact O-N 3.34Å; L1191-L1194 VanDerWaalsContact O-N 3.15Å; A1192-L1194 VanDerWaalsContact C-N 3.29Å; A1192-L1194 PolarHBondContact O-N 2.94Å; L1194-K1196 HydrophobicContact CB-CG 4.29Å; L1194-K1196 PolarHBondContact O-N 3.23Å
1195N85.2Confident89.5Confident94 Ų9427.4 Ų27.450%0.50313%0.13SC..THydrogen-bonded Turntrans5118.8-169.7-60.8-1.4000114.7H1197N1195-H1197 PolarHBondContact O-N 2.89Å
1196K86.9Confident89.4Confident104 Ų10427.8 Ų27.845%0.45213%0.132SC..  trans-81.554.9171-66.4-166.1172.7-166.40109.9L1191 L1194 E1198 H1199 A1200L1191-K1196 HydrophobicContact CB-CB 4.41Å; L1191-K1196 HydrophobicContact CD2-CB 3.85Å; L1191-K1196 HydrophobicContact CD2-CD 3.77Å; L1191-K1196 HydrophobicContact CD2-CG 4.38Å; L1191-K1196 PolarHBondContact O-N 3.49Å; L1191-K1196 VanDerWaalsContact O-N 3.12Å; L1194-K1196 HydrophobicContact CB-CG 4.29Å; L1194-K1196 PolarHBondContact O-N 3.23Å; K1196-E1198 VanDerWaalsContact C-N 3.27Å; K1196-E1198 PolarHBondContact O-N 3.44Å; K1196-H1199 HydrophobicContact CB-CB 4.47Å; K1196-H1199 PolarHBondContact O-N 3.28Å; K1196-A1200 PolarHBondContact O-N 3.45Å; K1196-A1200 VanDerWaalsContact O-N 3.1Å
1197H89.5Confident89.2Confident9 Ų928.8 Ų28.84%0.04214%0.137CC..Hα-helixtrans-57.3-39.2-170.7-63.1-30.4000112.2N1195 H1199 A1200 L1201 H1217 I1305 L1308N1195-H1197 PolarHBondContact O-N 2.89Å; H1197-H1199 VanDerWaalsContact C-N 3.32Å; H1197-H1199 PolarHBondContact O-N 3.34Å; H1197-A1200 PolarHBondContact O-N 3.12Å; H1197-L1201 VanDerWaalsContact O-CB 3.27Å; H1197-L1201 WeakPolarHBondContact O-CB 3.26Å; H1197-L1201 WeakPolarHBondContact O-CG 3.35Å; H1197-L1201 PolarHBondContact O-N 2.91Å; H1197-H1217 AromaticContact CE1-CE1 3.73Å; H1197-H1217 AromaticContact CE1-NE2 3.46Å; H1197-H1217 PolarHBondContact CE1-NE2 3.49Å; H1197-H1217 AromaticContact CG-NE2 3.73Å; H1197-H1217 AromaticContact ND1-CE1 3.6Å; H1197-H1217 AromaticContact ND1-NE2 3.06Å; H1197-H1217 PolarHBondContact ND1-NE2 3.42Å; H1197-I1305 HydrophobicContact CB-CD1 3.91Å; H1197-I1305 HydrophobicContact CB-CG1 4.42Å; H1197-L1308 HydrophobicContact CB-CD2 4.07Å
1198E88.8Confident89.1Confident62 Ų6228.7 Ų28.729%0.2914%0.137SC..Hα-helixtrans-56.3-48.2176-170-159162.500111.7K1196 L1201 S1202 L1308 I1312 T1317K1196-E1198 VanDerWaalsContact C-N 3.27Å; K1196-E1198 PolarHBondContact O-N 3.44Å; E1198-L1201 PolarHBondContact O-N 3.11Å; E1198-S1202 WeakPolarHBondContact O-CB 3.37Å; E1198-S1202 PolarHBondContact O-N 2.85Å; E1198-S1202 PolarHBondContact O-OG 3.39Å; E1198-L1308 HydrophobicContact CB-CD1 4.09Å; E1198-L1308 HydrophobicContact CB-CD2 4.1Å; E1198-L1308 HydrophobicContact CB-CG 4.37Å; E1198-L1308 HydrophobicContact CG-CD1 4.02Å; E1198-I1312 HydrophobicContact CB-CD1 4.4Å; E1198-I1312 HydrophobicContact CG-CD1 3.87Å; E1198-I1312 HydrophobicContact CG-CG1 4.12Å; E1198-I1312 WeakPolarHBondContact O-CD1 3.39Å; E1198-T1317 WeakPolarHBondContact OE1-CG2 3.15Å; E1198-T1317 PolarHBondContact OE1-OG1 3.32Å
1199H90.2Very high89Confident50 Ų5034 Ų3423%0.23117%0.165CC..Hα-helixtrans-71.8-38.1-174.2-60.332.1000111.1L1191 K1196 H1197 L1203 L1322L1191-H1199 HydrophobicContact CD1-CB 3.98Å; L1191-H1199 HydrophobicContact CD2-CB 4.09Å; L1191-H1199 HydrophobicContact CG-CB 4.48Å; K1196-H1199 HydrophobicContact CB-CB 4.47Å; K1196-H1199 PolarHBondContact O-N 3.28Å; H1197-H1199 VanDerWaalsContact C-N 3.32Å; H1197-H1199 PolarHBondContact O-N 3.34Å; H1199-L1203 WeakPolarHBondContact O-CG 3.44Å; H1199-L1203 PolarHBondContact O-N 2.75Å; H1199-L1203 VanDerWaalsContact O-N 3.08Å; H1199-L1322 HydrophobicContact CB-CD2 3.78Å
1200A91Very high89Confident0 Ų032.5 Ų32.50%016%0.16CC..Hα-helixtrans-65.3-46.117500000112.2A1188 L1191 A1192 K1196 H1197 L1203 W1204A1188-A1200 WeakPolarHBondContact O-CB 3.28Å; L1191-A1200 HydrophobicContact CB-CB 3.95Å; A1192-A1200 HydrophobicContact CB-CB 3.89Å; K1196-A1200 PolarHBondContact O-N 3.45Å; K1196-A1200 VanDerWaalsContact O-N 3.1Å; H1197-A1200 PolarHBondContact O-N 3.12Å; A1200-L1203 PolarHBondContact O-N 3.03Å; A1200-W1204 HydrophobicContact CB-CE3 4.23Å; A1200-W1204 HydrophobicContact CB-CH2 4.42Å; A1200-W1204 HydrophobicContact CB-CZ3 3.95Å; A1200-W1204 PolarHBondContact O-N 3.32Å
1201L91.5Very high88.9Confident0 Ų034.2 Ų34.20%017%0.166CC..Hα-helixtrans-64.5-42.8177.3-68.5170.9000111.1H1197 E1198 L1203 W1204 V1205 A1214 I1305 L1309 I1312H1197-L1201 VanDerWaalsContact O-CB 3.27Å; H1197-L1201 WeakPolarHBondContact O-CB 3.26Å; H1197-L1201 WeakPolarHBondContact O-CG 3.35Å; H1197-L1201 PolarHBondContact O-N 2.91Å; E1198-L1201 PolarHBondContact O-N 3.11Å; L1201-L1203 VanDerWaalsContact C-N 3.35Å; L1201-L1203 PolarHBondContact O-N 3.04Å; L1201-W1204 HydrophobicContact CD2-CE3 4.17Å; L1201-W1204 HydrophobicContact CD2-CZ3 4.44Å; L1201-W1204 PolarHBondContact O-N 2.77Å; L1201-V1205 VanDerWaalsContact O-CB 3.28Å; L1201-V1205 WeakPolarHBondContact O-CB 3.45Å; L1201-V1205 VanDerWaalsContact O-CG2 3.22Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.14Å; L1201-V1205 PolarHBondContact O-N 2.64Å; L1201-A1214 HydrophobicContact CD2-CB 3.92Å; L1201-I1305 HydrophobicContact CD1-CD1 4.42Å; L1201-I1305 HydrophobicContact CD1-CG1 4Å; L1201-L1309 HydrophobicContact CD1-CB 4.41Å; L1201-L1309 HydrophobicContact CD2-CD1 4.36Å; L1201-I1312 HydrophobicContact CB-CD1 3.59Å; L1201-I1312 HydrophobicContact CD1-CD1 4.29Å
1202S90.4Very high88.9Confident0 Ų039.6 Ų39.60%020%0.195CC..Hα-helixtrans-60.4-40.6174.2-75.40000112.6E1198 H1206 I1312 T1317E1198-S1202 WeakPolarHBondContact O-CB 3.37Å; E1198-S1202 PolarHBondContact O-N 2.85Å; E1198-S1202 PolarHBondContact O-OG 3.39Å; S1202-H1206 WeakPolarHBondContact O-CB 3.32Å; S1202-H1206 PolarHBondContact O-N 3.25Å; S1202-I1312 VanDerWaalsContact OG-CG2 3.27Å; S1202-I1312 WeakPolarHBondContact OG-CG2 3.22Å; S1202-T1317 PolarHBondContact OG-OG1 3.22Å
1203L89.8Confident88.9Confident0 Ų043.2 Ų43.20%021%0.207CC..Iπ-helixtrans-65.2-45173.7-70.7172.5000112.6R1187 A1188 L1191 H1199 A1200 L1201 L1207 L1208 L1322 I1324R1187-L1203 HydrophobicContact CB-CD1 4.42Å; R1187-L1203 HydrophobicContact CG-CD1 4.24Å; A1188-L1203 HydrophobicContact CB-CB 3.86Å; A1188-L1203 HydrophobicContact CB-CD1 4.04Å; L1191-L1203 HydrophobicContact CD1-CD1 3.49Å; L1191-L1203 VanDerWaalsContact CD1-CD1 3.49Å; H1199-L1203 WeakPolarHBondContact O-CG 3.44Å; H1199-L1203 PolarHBondContact O-N 2.75Å; H1199-L1203 VanDerWaalsContact O-N 3.08Å; A1200-L1203 PolarHBondContact O-N 3.03Å; L1201-L1203 VanDerWaalsContact C-N 3.35Å; L1201-L1203 PolarHBondContact O-N 3.04Å; L1203-L1207 HydrophobicContact CD2-CB 4.38Å; L1203-L1207 HydrophobicContact CD2-CD2 3.75Å; L1203-L1207 WeakPolarHBondContact O-CB 3.35Å; L1203-L1207 PolarHBondContact O-N 3.44Å; L1203-L1208 PolarHBondContact O-N 3.19Å; L1203-L1322 HydrophobicContact CD2-CD1 4.07Å; L1203-L1322 HydrophobicContact CG-CD1 4.28Å; L1203-I1324 HydrophobicContact CD2-CD1 3.91Å; L1203-I1324 HydrophobicContact CD2-CG2 4.12Å
1204W91.5Very high89.1Confident13 Ų1338.9 Ų38.95%0.04919%0.188CC..Iπ-helixtrans-66.9-44.4178-73.6-45.7000112.9A1188 A1192 A1200 L1201 L1208 N1209 D1210 R1213 A1214 H1217A1188-W1204 HydrophobicContact CB-CD2 4.36Å; A1188-W1204 HydrophobicContact CB-CG 4.4Å; A1188-W1204 HydrophobicContact CB-CZ2 4.49Å; A1192-W1204 HydrophobicContact CB-CH2 3.44Å; A1192-W1204 VanDerWaalsContact CB-CH2 3.44Å; A1192-W1204 HydrophobicContact CB-CZ2 4.21Å; A1192-W1204 HydrophobicContact CB-CZ3 4.08Å; A1200-W1204 HydrophobicContact CB-CE3 4.23Å; A1200-W1204 HydrophobicContact CB-CH2 4.42Å; A1200-W1204 HydrophobicContact CB-CZ3 3.95Å; A1200-W1204 PolarHBondContact O-N 3.32Å; L1201-W1204 HydrophobicContact CD2-CE3 4.17Å; L1201-W1204 HydrophobicContact CD2-CZ3 4.44Å; L1201-W1204 PolarHBondContact O-N 2.77Å; W1204-L1208 HydrophobicContact CG-CD1 4.49Å; W1204-N1209 CarbonylContact O-C 3.02Å; W1204-N1209 WeakPolarHBondContact O-CA 3.35Å; W1204-N1209 PolarHBondContact O-N 2.99Å; W1204-D1210 PolarHBondContact O-N 2.77Å; W1204-R1213 HydrophobicContact CD2-CB 4.3Å; W1204-R1213 HydrophobicContact CG-CB 4.3Å; W1204-A1214 HydrophobicContact CB-CB 3.98Å; W1204-H1217 HydrophobicContact CE3-CB 4.4Å; W1204-H1217 HydrophobicContact CH2-CB 3.88Å; W1204-H1217 AromaticContact CH2-CG 3.83Å; W1204-H1217 AromaticContact CH2-ND1 3.83Å; W1204-H1217 HydrophobicContact CZ3-CB 3.51Å; W1204-H1217 AromaticContact CZ3-CG 3.48Å; W1204-H1217 VanDerWaalsContact CZ3-CG 3.48Å; W1204-H1217 AromaticContact CZ3-ND1 3.93Å
1205V90.4Very high89.3Confident3 Ų337 Ų372%0.01818%0.178CC..Iπ-helixtrans-71.8-47.9-176.8174.10000111.5L1201 W1211 A1214 L1309 I1312 K1339L1201-V1205 VanDerWaalsContact O-CB 3.28Å; L1201-V1205 WeakPolarHBondContact O-CB 3.45Å; L1201-V1205 VanDerWaalsContact O-CG2 3.22Å; L1201-V1205 WeakPolarHBondContact O-CG2 3.14Å; L1201-V1205 PolarHBondContact O-N 2.64Å; V1205-W1211 HydrophobicContact CG2-CE3 4.1Å; V1205-W1211 HydrophobicContact CG2-CZ3 3.99Å; V1205-A1214 HydrophobicContact CG2-CB 3.94Å; V1205-L1309 HydrophobicContact CG2-CD1 3.62Å; V1205-I1312 HydrophobicContact CB-CG2 4.48Å; V1205-K1339 HydrophobicContact CG1-CD 4.17Å; V1205-K1339 PolarHBondContact O-NZ 2.97Å
1206H88.1Confident89.6Confident18 Ų1835.9 Ų35.98%0.08318%0.175CC..Iπ-helixtrans-100.5-38.8-167.9-66.4-60.2000114.7S1202 I1312 F1336 T1337S1202-H1206 WeakPolarHBondContact O-CB 3.32Å; S1202-H1206 PolarHBondContact O-N 3.25Å; H1206-I1312 PolarHBondContact NE2-O 3.14Å; H1206-F1336 HydrophobicContact CB-CB 3.88Å; H1206-F1336 HydrophobicContact CB-CD1 3.67Å; H1206-F1336 HydrophobicContact CB-CD2 3.84Å; H1206-F1336 HydrophobicContact CB-CE1 4.05Å; H1206-F1336 HydrophobicContact CB-CE2 4.21Å; H1206-F1336 HydrophobicContact CB-CG 3.55Å; H1206-F1336 HydrophobicContact CB-CZ 4.3Å; H1206-T1337 PolarHBondContact CE1-O 3.41Å
1207L88Confident89.6Confident23 Ų2332.1 Ų32.112%0.1216%0.159CC..Iπ-helixtrans-91.6-54.9-177.2-173.767.5000112.9F1139 F1184 L1203 N1209 I1324 L1326 F1336F1139-L1207 HydrophobicContact CD1-CD1 4Å; F1139-L1207 HydrophobicContact CD1-CD2 4.46Å; F1139-L1207 HydrophobicContact CD1-CG 4.11Å; F1139-L1207 HydrophobicContact CE1-CD1 3.76Å; F1139-L1207 HydrophobicContact CE1-CG 4.37Å; F1184-L1207 HydrophobicContact CB-CD2 3.84Å; F1184-L1207 HydrophobicContact CD1-CD2 3.41Å; F1184-L1207 VanDerWaalsContact CD1-CD2 3.41Å; F1184-L1207 HydrophobicContact CD2-CD2 4.32Å; F1184-L1207 HydrophobicContact CE1-CD2 3.94Å; F1184-L1207 HydrophobicContact CG-CD2 3.6Å; L1203-L1207 HydrophobicContact CD2-CB 4.38Å; L1203-L1207 HydrophobicContact CD2-CD2 3.75Å; L1203-L1207 WeakPolarHBondContact O-CB 3.35Å; L1203-L1207 PolarHBondContact O-N 3.44Å; L1207-N1209 VanDerWaalsContact C-N 3.33Å; L1207-I1324 HydrophobicContact CD2-CD1 3.88Å; L1207-L1326 HydrophobicContact CD1-CD2 3.54Å; L1207-F1336 HydrophobicContact CB-CE1 4.27Å; L1207-F1336 HydrophobicContact CB-CZ 4.16Å; L1207-F1336 HydrophobicContact CD1-CE1 4.28Å
1208L89.1Confident89.6Confident7 Ų731.7 Ų31.74%0.03716%0.157CC..SBendtrans-81.6-16.3-177.5-61.8163.4000112.3F1139 K1140 F1184 E1185 A1188 L1203 W1204 D1210F1139-L1208 HydrophobicContact CB-CD2 4.28Å; F1139-L1208 WeakPolarHBondContact O-CD2 3.45Å; K1140-L1208 WeakPolarHBondContact CE-O 3.44Å; K1140-L1208 HydrophobicContact CG-CD2 4.17Å; K1140-L1208 PolarHBondContact NZ-O 2.89Å; F1184-L1208 HydrophobicContact CB-CD2 4.04Å; E1185-L1208 HydrophobicContact CB-CD2 4.15Å; A1188-L1208 HydrophobicContact CB-CD1 3.83Å; L1203-L1208 PolarHBondContact O-N 3.19Å; W1204-L1208 HydrophobicContact CG-CD1 4.49Å; L1208-D1210 HydrophobicContact CB-CB 4.39Å; L1208-D1210 PolarHBondContact O-N 2.83Å; L1208-D1210 VanDerWaalsContact O-N 3.08Å
1209N88.4Confident89.5Confident111 Ų11131.1 Ų31.159%0.59416%0.156SC*.  trans4934.6-175.2-158.253000112.8W1204 L1207 W1211 K1339W1204-N1209 CarbonylContact O-C 3.02Å; W1204-N1209 WeakPolarHBondContact O-CA 3.35Å; W1204-N1209 PolarHBondContact O-N 2.99Å; L1207-N1209 VanDerWaalsContact C-N 3.33Å; N1209-W1211 PolarHBondContact O-N 3.06Å; N1209-K1339 PolarHBondContact OD1-NZ 3.4Å
1210D88.7Confident89.3Confident26 Ų2632.8 Ų32.814%0.13917%0.166CC..  trans-101.275.7-179.9-157.5-40.3000110.1K1140 W1204 L1208 N1212 R1213 A1214K1140-D1210 IonicContact NZ-OD2 3.37Å; K1140-D1210 PolarHBondContact NZ-OD2 2.94Å; W1204-D1210 PolarHBondContact O-N 2.77Å; L1208-D1210 HydrophobicContact CB-CB 4.39Å; L1208-D1210 PolarHBondContact O-N 2.83Å; L1208-D1210 VanDerWaalsContact O-N 3.08Å; D1210-N1212 VanDerWaalsContact C-N 3.25Å; D1210-N1212 PolarHBondContact O-N 2.84Å; D1210-R1213 HydrophobicContact CB-CB 4.45Å; D1210-R1213 PolarHBondContact O-N 3.49Å; D1210-R1213 WeakPolarHBondContact OD1-CG 3.39Å; D1210-R1213 PolarHBondContact OD1-N 3.3Å; D1210-R1213 IonicContact OD1-NE 3.14Å; D1210-R1213 IonicContact OD2-CZ 2.77Å; D1210-R1213 IonicContact OD2-NE 3.92Å; D1210-R1213 PolarHBondContact OD2-NE 2.77Å; D1210-R1213 IonicContact OD2-NH2 2.8Å; D1210-A1214 PolarHBondContact O-N 3.04Å
1211W89.2Confident89.1Confident38 Ų3833.6 Ų33.614%0.14417%0.171CC..Hα-helixtrans-58.5-37.3-178.8-176.2-115000112.8V1205 N1209 R1213 A1214 V1215 L1309 K1342 I1346V1205-W1211 HydrophobicContact CG2-CE3 4.1Å; V1205-W1211 HydrophobicContact CG2-CZ3 3.99Å; N1209-W1211 PolarHBondContact O-N 3.06Å; W1211-R1213 PolarHBondContact O-N 2.86Å; W1211-A1214 PolarHBondContact O-N 3.35Å; W1211-V1215 HydrophobicContact CD2-CG2 4.07Å; W1211-V1215 HydrophobicContact CG-CG2 4.45Å; W1211-V1215 HydrophobicContact CZ2-CG2 3.97Å; W1211-V1215 WeakPolarHBondContact O-CG2 3.48Å; W1211-V1215 PolarHBondContact O-N 3.39Å; W1211-L1309 HydrophobicContact CH2-CD1 4.3Å; W1211-L1309 HydrophobicContact CH2-CD2 4.07Å; W1211-L1309 HydrophobicContact CH2-CG 4.26Å; W1211-L1309 HydrophobicContact CZ3-CD1 3.88Å; W1211-L1309 HydrophobicContact CZ3-CD2 4.33Å; W1211-L1309 HydrophobicContact CZ3-CG 4.35Å; W1211-K1342 VanDerWaalsContact CD1-NZ 3.29Å; W1211-K1342 HydrophobicContact CD2-CD 3.44Å; W1211-K1342 VanDerWaalsContact CD2-CD 3.44Å; W1211-K1342 HydrophobicContact CE3-CD 3.55Å; W1211-K1342 HydrophobicContact CG-CD 4.05Å; W1211-K1342 HydrophobicContact CH2-CB 3.71Å; W1211-K1342 HydrophobicContact CH2-CD 3.79Å; W1211-K1342 HydrophobicContact CH2-CG 4.41Å; W1211-K1342 HydrophobicContact CZ2-CB 4.17Å; W1211-K1342 HydrophobicContact CZ2-CD 3.68Å; W1211-K1342 HydrophobicContact CZ3-CB 3.96Å; W1211-K1342 HydrophobicContact CZ3-CD 3.72Å; W1211-K1342 HydrophobicContact CZ3-CG 4.39Å; W1211-I1346 HydrophobicContact CH2-CD1 3.94Å; W1211-I1346 HydrophobicContact CH2-CG1 3.61Å; W1211-I1346 HydrophobicContact CZ2-CD1 3.57Å; W1211-I1346 HydrophobicContact CZ2-CG1 3.61Å
1212N89.8Confident88.7Confident118 Ų11835.4 Ų35.463%0.63118%0.178SC*.Hα-helixtrans-68.2-37.9-175.5-64.5-2.1000111.1D1210 T1216D1210-N1212 VanDerWaalsContact C-N 3.25Å; D1210-N1212 PolarHBondContact O-N 2.84Å; N1212-T1216 VanDerWaalsContact O-CB 3.27Å; N1212-T1216 WeakPolarHBondContact O-CB 3.37Å; N1212-T1216 PolarHBondContact O-N 3.48Å; N1212-T1216 PolarHBondContact O-OG1 3.1Å
1213R88.1Confident88.2Confident84 Ų8440.1 Ų40.132%0.31720%0.2SC..Hα-helixtrans-65.9-42.4171.2-69.3-175.6-147.6-152.99.6112.6E1185 W1204 D1210 W1211 V1215 T1216 H1217E1185-R1213 IonicContact OE1-CZ 2.73Å; E1185-R1213 IonicContact OE1-NH1 3.5Å; E1185-R1213 PolarHBondContact OE1-NH1 2.95Å; E1185-R1213 IonicContact OE1-NH2 3.75Å; E1185-R1213 PolarHBondContact OE1-NH2 2.93Å; W1204-R1213 HydrophobicContact CD2-CB 4.3Å; W1204-R1213 HydrophobicContact CG-CB 4.3Å; D1210-R1213 HydrophobicContact CB-CB 4.45Å; D1210-R1213 PolarHBondContact O-N 3.49Å; D1210-R1213 WeakPolarHBondContact OD1-CG 3.39Å; D1210-R1213 PolarHBondContact OD1-N 3.3Å; D1210-R1213 IonicContact OD1-NE 3.14Å; D1210-R1213 IonicContact OD2-CZ 2.77Å; D1210-R1213 IonicContact OD2-NE 3.92Å; D1210-R1213 PolarHBondContact OD2-NE 2.77Å; D1210-R1213 IonicContact OD2-NH2 2.8Å; W1211-R1213 PolarHBondContact O-N 2.86Å; R1213-V1215 PolarHBondContact O-N 3.12Å; R1213-T1216 PolarHBondContact O-N 3.27Å; R1213-H1217 WeakPolarHBondContact O-CB 3.41Å; R1213-H1217 PolarHBondContact O-N 2.95Å
1214A90.7Very high87.6Confident0 Ų046.6 Ų46.60%023%0.229CC..Hα-helixtrans-59.6-46.7177.500000112L1201 W1204 V1205 D1210 W1211 H1217 C1218 L1309L1201-A1214 HydrophobicContact CD2-CB 3.92Å; W1204-A1214 HydrophobicContact CB-CB 3.98Å; V1205-A1214 HydrophobicContact CG2-CB 3.94Å; D1210-A1214 PolarHBondContact O-N 3.04Å; W1211-A1214 PolarHBondContact O-N 3.35Å; A1214-H1217 PolarHBondContact O-N 3.21Å; A1214-C1218 PolarHBondContact O-N 3.45Å; A1214-C1218 VanDerWaalsContact O-N 3.08Å; A1214-C1218 PolarHBondContact O-SG 2.71Å; A1214-L1309 HydrophobicContact CB-CD1 4.47Å
1215V90.7Very high86.3Confident16 Ų1646.1 Ų46.110%0.09723%0.227CC..Hα-helixtrans-67.9-43.9178176.10000111.7W1211 R1213 H1217 C1218 I1219 L1309 I1346 Y1350W1211-V1215 HydrophobicContact CD2-CG2 4.07Å; W1211-V1215 HydrophobicContact CG-CG2 4.45Å; W1211-V1215 HydrophobicContact CZ2-CG2 3.97Å; W1211-V1215 WeakPolarHBondContact O-CG2 3.48Å; W1211-V1215 PolarHBondContact O-N 3.39Å; R1213-V1215 PolarHBondContact O-N 3.12Å; V1215-H1217 VanDerWaalsContact C-N 3.29Å; V1215-H1217 PolarHBondContact O-N 2.93Å; V1215-C1218 PolarHBondContact O-N 3.02Å; V1215-C1218 VanDerWaalsContact O-N 3.15Å; V1215-I1219 HydrophobicContact CG1-CD1 3.99Å; V1215-I1219 WeakPolarHBondContact O-CG1 3.39Å; V1215-I1219 PolarHBondContact O-N 3.47Å; V1215-L1309 HydrophobicContact CG2-CD2 4.36Å; V1215-I1346 HydrophobicContact CG2-CD1 3.94Å; V1215-Y1350 HydrophobicContact CG1-CE2 4.23Å
1216T89.9Confident84.9Confident71 Ų7150 Ų5044%0.43625%0.245SC..Hα-helixtrans-61.5-38.1176.8-56.30000111.5N1212 R1213 I1219 N1220N1212-T1216 VanDerWaalsContact O-CB 3.27Å; N1212-T1216 WeakPolarHBondContact O-CB 3.37Å; N1212-T1216 PolarHBondContact O-N 3.48Å; N1212-T1216 PolarHBondContact O-OG1 3.1Å; R1213-T1216 PolarHBondContact O-N 3.27Å; T1216-I1219 PolarHBondContact O-N 3.21Å; T1216-N1220 WeakPolarHBondContact O-CB 3.41Å; T1216-N1220 PolarHBondContact O-N 2.69Å; T1216-N1220 PolarHBondContact O-ND2 2.96Å; T1216-N1220 PolarHBondContact O-OD1 3.36Å
1217H88.6Confident83.4Confident26 Ų2655.4 Ų55.412%0.1227%0.27CS..Hα-helixtrans-63.7-43.7173.5-179.181.2000112.1H1197 W1204 R1213 A1214 V1215 I1219 N1220 V1221H1197-H1217 AromaticContact CE1-CE1 3.73Å; H1197-H1217 AromaticContact CE1-NE2 3.46Å; H1197-H1217 PolarHBondContact CE1-NE2 3.49Å; H1197-H1217 AromaticContact CG-NE2 3.73Å; H1197-H1217 AromaticContact ND1-CE1 3.6Å; H1197-H1217 AromaticContact ND1-NE2 3.06Å; H1197-H1217 PolarHBondContact ND1-NE2 3.42Å; W1204-H1217 HydrophobicContact CE3-CB 4.4Å; W1204-H1217 HydrophobicContact CH2-CB 3.88Å; W1204-H1217 AromaticContact CH2-CG 3.83Å; W1204-H1217 AromaticContact CH2-ND1 3.83Å; W1204-H1217 HydrophobicContact CZ3-CB 3.51Å; W1204-H1217 AromaticContact CZ3-CG 3.48Å; W1204-H1217 VanDerWaalsContact CZ3-CG 3.48Å; W1204-H1217 AromaticContact CZ3-ND1 3.93Å; R1213-H1217 WeakPolarHBondContact O-CB 3.41Å; R1213-H1217 PolarHBondContact O-N 2.95Å; A1214-H1217 PolarHBondContact O-N 3.21Å; V1215-H1217 VanDerWaalsContact C-N 3.29Å; V1215-H1217 PolarHBondContact O-N 2.93Å; H1217-I1219 PolarHBondContact O-N 3.35Å; H1217-N1220 PolarHBondContact O-N 3.43Å; H1217-V1221 WeakPolarHBondContact NE2-CG2 3.32Å; H1217-V1221 WeakPolarHBondContact O-CG2 3.2Å; H1217-V1221 PolarHBondContact O-N 2.93Å
1218C89Confident81.6Confident0 Ų058.9 Ų58.90%029%0.286CS..Hα-helixtrans-60.1-45.3175.9-64.40000112.1A1214 V1215 V1221 Y1222 I1305 F1306A1214-C1218 PolarHBondContact O-N 3.45Å; A1214-C1218 VanDerWaalsContact O-N 3.08Å; A1214-C1218 PolarHBondContact O-SG 2.71Å; V1215-C1218 PolarHBondContact O-N 3.02Å; V1215-C1218 VanDerWaalsContact O-N 3.15Å; C1218-V1221 PolarHBondContact O-N 3.3Å; C1218-Y1222 VanDerWaalsContact O-CB 3.31Å; C1218-Y1222 WeakPolarHBondContact O-CB 3.47Å; C1218-Y1222 PolarHBondContact O-N 3.38Å; C1218-I1305 HydrophobicContact CB-CG2 4.18Å; C1218-F1306 HydrophobicContact CB-CD1 3.94Å; C1218-F1306 HydrophobicContact CB-CE1 3.62Å; C1218-F1306 HydrophobicContact CB-CE2 4.46Å; C1218-F1306 HydrophobicContact CB-CG 4.49Å; C1218-F1306 HydrophobicContact CB-CZ 3.91Å
1219I87.3Confident79.7Confident49 Ų4963.6 Ų63.625%0.25131%0.311SS..Hα-helixtrans-58.6-49.7175.4-65.1164.4000110.6V1215 T1216 H1217 V1221 Y1222 Q1223 F1306 Y1350V1215-I1219 HydrophobicContact CG1-CD1 3.99Å; V1215-I1219 WeakPolarHBondContact O-CG1 3.39Å; V1215-I1219 PolarHBondContact O-N 3.47Å; T1216-I1219 PolarHBondContact O-N 3.21Å; H1217-I1219 PolarHBondContact O-N 3.35Å; I1219-V1221 VanDerWaalsContact C-N 3.35Å; I1219-V1221 PolarHBondContact O-N 3.44Å; I1219-Y1222 PolarHBondContact O-N 2.85Å; I1219-Q1223 HydrophobicContact CG2-CG 4.42Å; I1219-Q1223 WeakPolarHBondContact O-CB 3.19Å; I1219-Q1223 WeakPolarHBondContact O-CG 3.44Å; I1219-Q1223 PolarHBondContact O-N 2.93Å; I1219-F1306 HydrophobicContact CG1-CZ 4.11Å; I1219-Y1350 HydrophobicContact CG1-CE1 4.49Å
1220N85.6Confident77.8Confident86 Ų8663.9 Ų63.946%0.4631%0.312SS..Hα-helixtrans-65.2-33.8-176.1-69.9-8.2000113.3T1216 H1217 K1224T1216-N1220 WeakPolarHBondContact O-CB 3.41Å; T1216-N1220 PolarHBondContact O-N 2.69Å; T1216-N1220 PolarHBondContact O-ND2 2.96Å; T1216-N1220 PolarHBondContact O-OD1 3.36Å; H1217-N1220 PolarHBondContact O-N 3.43Å; N1220-K1224 WeakPolarHBondContact O-CG 3.3Å; N1220-K1224 PolarHBondContact O-N 2.82Å
1221V85.8Confident75.6Confident16 Ų1668.8 Ų68.810%0.09734%0.338CS..Hα-helixtrans-76-42.9174.8173.20000111.2H1217 C1218 I1219 Q1223 K1224 G1225 D1302 I1305H1217-V1221 WeakPolarHBondContact NE2-CG2 3.32Å; H1217-V1221 WeakPolarHBondContact O-CG2 3.2Å; H1217-V1221 PolarHBondContact O-N 2.93Å; C1218-V1221 PolarHBondContact O-N 3.3Å; I1219-V1221 VanDerWaalsContact C-N 3.35Å; I1219-V1221 PolarHBondContact O-N 3.44Å; V1221-Q1223 PolarHBondContact O-N 3.42Å; V1221-K1224 WeakPolarHBondContact O-CB 3.2Å; V1221-K1224 PolarHBondContact O-N 3.37Å; V1221-K1224 VanDerWaalsContact O-N 3.14Å; V1221-G1225 PolarHBondContact O-N 2.89Å; V1221-D1302 HydrophobicContact CG1-CB 4.05Å; V1221-I1305 HydrophobicContact CB-CD1 3.7Å; V1221-I1305 HydrophobicContact CB-CG2 4.37Å; V1221-I1305 HydrophobicContact CG1-CD1 3.85Å; V1221-I1305 HydrophobicContact CG1-CG2 4.36Å; V1221-I1305 HydrophobicContact CG2-CD1 3.82Å
1222Y83.2Confident73.4Confident39 Ų3972 Ų7215%0.15336%0.362CS..Hα-helixtrans-60.2-45.5179.7-166.1-91.3000111.8C1218 I1219 K1224 G1225 E1226 C1303 F1306 L1353C1218-Y1222 VanDerWaalsContact O-CB 3.31Å; C1218-Y1222 WeakPolarHBondContact O-CB 3.47Å; C1218-Y1222 PolarHBondContact O-N 3.38Å; I1219-Y1222 PolarHBondContact O-N 2.85Å; Y1222-K1224 VanDerWaalsContact C-N 3.31Å; Y1222-K1224 PolarHBondContact O-N 3.25Å; Y1222-G1225 WeakPolarHBondContact O-CA 3.45Å; Y1222-G1225 PolarHBondContact O-N 2.95Å; Y1222-E1226 HydrophobicContact CD1-CG 4.08Å; Y1222-E1226 VanDerWaalsContact CE1-CD 3.49Å; Y1222-E1226 HydrophobicContact CE1-CG 3.85Å; Y1222-E1226 PolarHBondContact O-N 3.1Å; Y1222-C1303 WeakPolarHBondContact CE2-O 3.26Å; Y1222-F1306 AromaticContact CD2-CD2 3.89Å; Y1222-F1306 HydrophobicContact CD2-CD2 3.89Å; Y1222-F1306 AromaticContact CD2-CE2 3.96Å; Y1222-F1306 HydrophobicContact CD2-CE2 3.96Å; Y1222-F1306 HydrophobicContact CE2-CD2 4.44Å; Y1222-F1306 HydrophobicContact CG-CD2 4.27Å; Y1222-F1306 AromaticContact CG-CE2 3.85Å; Y1222-F1306 HydrophobicContact CG-CE2 3.85Å; Y1222-L1353 HydrophobicContact CD1-CD1 4.22Å; Y1222-L1353 HydrophobicContact CE1-CB 4.41Å; Y1222-L1353 HydrophobicContact CE1-CD1 4.01Å; Y1222-L1353 HydrophobicContact CE1-CD2 3.85Å; Y1222-L1353 HydrophobicContact CE1-CG 4.3Å; Y1222-L1353 HydrophobicContact CE2-CB 4.05Å
1223Q81Confident70.9Confident98 Ų9875 Ų7546%0.45837%0.372SS..Hα-helixtrans-61-36.2175.7-72.7176.1-1400112.9I1219 V1221 H1227I1219-Q1223 HydrophobicContact CG2-CG 4.42Å; I1219-Q1223 WeakPolarHBondContact O-CB 3.19Å; I1219-Q1223 WeakPolarHBondContact O-CG 3.44Å; I1219-Q1223 PolarHBondContact O-N 2.93Å; V1221-Q1223 PolarHBondContact O-N 3.42Å; Q1223-H1227 PolarHBondContact O-CD2 3.44Å; Q1223-H1227 PolarHBondContact O-N 3.43Å
1224K75.6Confident68.3Low137 Ų13779.2 Ų79.260%0.59640%0.395SS*.Hα-helixtrans-63.4-41.5171.9-79-178.4166.9-155.50111.8N1220 V1221 Y1222 H1227 H1228N1220-K1224 WeakPolarHBondContact O-CG 3.3Å; N1220-K1224 PolarHBondContact O-N 2.82Å; V1221-K1224 WeakPolarHBondContact O-CB 3.2Å; V1221-K1224 PolarHBondContact O-N 3.37Å; V1221-K1224 VanDerWaalsContact O-N 3.14Å; Y1222-K1224 VanDerWaalsContact C-N 3.31Å; Y1222-K1224 PolarHBondContact O-N 3.25Å; K1224-H1227 PolarHBondContact O-N 3.19Å; K1224-H1228 PolarHBondContact O-CD2 3.21Å; K1224-H1228 PolarHBondContact O-N 2.94Å
1225G65.6Low65.5Low2 Ų284.8 Ų84.82%0.02143%0.429CS..Hα-helixtrans-60.5-49.9176.400000112.8V1221 Y1222 H1227 H1228 L1229V1221-G1225 PolarHBondContact O-N 2.89Å; Y1222-G1225 WeakPolarHBondContact O-CA 3.45Å; Y1222-G1225 PolarHBondContact O-N 2.95Å; G1225-H1227 VanDerWaalsContact C-N 3.31Å; G1225-H1227 PolarHBondContact O-N 3.38Å; G1225-H1228 PolarHBondContact O-N 2.96Å; G1225-H1228 VanDerWaalsContact O-N 3.09Å; G1225-L1229 PolarHBondContact O-N 3.22Å
1226E61.2Low62.5Low85 Ų8592.7 Ų92.740%0.39746%0.464SS..Hα-helixtrans-58.6-40.4177.8-69.1-175.6125.600112.4Y1222 H1228 L1229 N1230Y1222-E1226 HydrophobicContact CD1-CG 4.08Å; Y1222-E1226 VanDerWaalsContact CE1-CD 3.49Å; Y1222-E1226 HydrophobicContact CE1-CG 3.85Å; Y1222-E1226 PolarHBondContact O-N 3.1Å; E1226-H1228 VanDerWaalsContact C-N 3.26Å; E1226-H1228 PolarHBondContact O-N 3.48Å; E1226-L1229 PolarHBondContact O-N 3.27Å; E1226-N1230 PolarHBondContact O-N 3.29Å; E1226-N1230 VanDerWaalsContact O-N 3.14Å; E1226-N1230 PolarHBondContact O-ND2 3.29Å
1227H56.7Low59.5Low131 Ų13197.6 Ų97.661%0.60649%0.485SS*.Hα-helixtrans-67.9-20.6178-81.8-57.5000114.1Q1223 K1224 G1225 N1231Q1223-H1227 PolarHBondContact O-CD2 3.44Å; Q1223-H1227 PolarHBondContact O-N 3.43Å; K1224-H1227 PolarHBondContact O-N 3.19Å; G1225-H1227 VanDerWaalsContact C-N 3.31Å; G1225-H1227 PolarHBondContact O-N 3.38Å; H1227-N1231 PolarHBondContact O-ND2 3.38Å
1228H49Very low56.6Low97 Ų97103.2 Ų103.245%0.44952%0.515SS..Hα-helixtrans-83-42.8171.7-83.1-74.6000112.3K1224 G1225 E1226 N1230 N1231 V1232 L1298K1224-H1228 PolarHBondContact O-CD2 3.21Å; K1224-H1228 PolarHBondContact O-N 2.94Å; G1225-H1228 PolarHBondContact O-N 2.96Å; G1225-H1228 VanDerWaalsContact O-N 3.09Å; E1226-H1228 VanDerWaalsContact C-N 3.26Å; E1226-H1228 PolarHBondContact O-N 3.48Å; H1228-N1230 PolarHBondContact O-N 3.48Å; H1228-N1231 PolarHBondContact O-N 2.98Å; H1228-N1231 VanDerWaalsContact O-N 3.14Å; H1228-V1232 WeakPolarHBondContact O-CG2 3.43Å; H1228-V1232 PolarHBondContact O-N 3.11Å; H1228-L1298 HydrophobicContact CB-CD2 4.16Å
1229L50.2Low53.7Low106 Ų106110.5 Ų110.556%0.55555%0.553SS**Hα-helixtrans-58.8-48.2178-73.3163.5000112G1225 E1226 N1231 V1232G1225-L1229 PolarHBondContact O-N 3.22Å; E1226-L1229 PolarHBondContact O-N 3.27Å; L1229-N1231 PolarHBondContact O-N 3.47Å; L1229-V1232 PolarHBondContact O-N 3.35Å
1230N48.3Very low50.9Low117 Ų117114.8 Ų114.863%0.62658%0.581SS**THydrogen-bonded Turntrans-64.5-9179-71-58.9000114.7E1226 H1228E1226-N1230 PolarHBondContact O-N 3.29Å; E1226-N1230 VanDerWaalsContact O-N 3.14Å; E1226-N1230 PolarHBondContact O-ND2 3.29Å; H1228-N1230 PolarHBondContact O-N 3.48Å
1231N41.5Very low48.2Very low128 Ų128119.2 Ų119.268%0.68460%0.599SS**THydrogen-bonded Turntrans-103.2-7.5175.2-81.2-54.4000113.4H1227 H1228 L1229H1227-N1231 PolarHBondContact O-ND2 3.38Å; H1228-N1231 PolarHBondContact O-N 2.98Å; H1228-N1231 VanDerWaalsContact O-N 3.14Å; L1229-N1231 PolarHBondContact O-N 3.47Å
1232V44.4Very low45.5Very low106 Ų106124 Ų12464%0.64263%0.628SS**THydrogen-bonded Turntrans-98.2-28.1-175.3170.70000112.9H1228 L1229 H1234H1228-V1232 WeakPolarHBondContact O-CG2 3.43Å; H1228-V1232 PolarHBondContact O-N 3.11Å; L1229-V1232 PolarHBondContact O-N 3.35Å; V1232-H1234 PolarHBondContact O-N 3.06Å
1233E37.4Very low42.9Very low180 Ų180128.9 Ų128.984%0.84166%0.657SS**THydrogen-bonded Turntrans-67.410.8-179.3-60.5-165.2144.100115.2
1234H33.2Very low40.6Very low173 Ų173129.5 Ų129.580%0.80167%0.671SS**THydrogen-bonded Turntrans-100.43.4-175.2-120.1-52.2000115V1232V1232-H1234 PolarHBondContact O-N 3.06Å
1235V31.9Very low38.4Very low117 Ų117130.1 Ų130.171%0.70969%0.685SS**SBendtrans-138.7147.5-176.5-177.10000110.8
1236E28.1Very low36.6Very low182 Ų182133.2 Ų133.285%0.8572%0.717SS**  trans65.974175.1-79.2168.5-151.300117.2
1237M25.1Very low35.1Very low175 Ų175133.9 Ų133.986%0.86274%0.737SS**  trans-109.9152.8135.3-171.81646200107.5
1238D28.3Very low33.9Very low143 Ų143132.7 Ų132.777%0.76574%0.743SS**  trans71139-160.4-49.5-28.8000112.1
1239I28.9Very low32.8Very low154 Ų154136.1 Ų136.179%0.7976%0.764SS**  cis-135.5136.45.2-58.6168.3000109
1240V27Very low31.7Very low138 Ų138134.3 Ų134.384%0.83677%0.772SS**  trans-133.792.5159-176.10000110.5
1241H29.6Very low30.8Very low180 Ų180133.9 Ų133.983%0.83378%0.778SS**  trans-157.1104.1145.8-120.7-68.9000110.5
1242T28.9Very low30.2Very low115 Ų115132.5 Ų132.571%0.70678%0.778SS**  trans-67.3134.9161.3-36.10000108.4
1243D29.3Very low29.4Very low142 Ų142132.9 Ų132.976%0.75978%0.777SS**  170.7156.2121.5-87.2-17.4000114.2
1244C31.5Very low29.1Very low112 Ų112127 Ų12776%0.75776%0.764SS**  trans66.397.9157.5-68.60000122
1245V29.5Very low29Very low149 Ų149121.3 Ų121.390%0.90374%0.743SS**  51.7119.7121.6-177.30000120
1246G28.2Very low28.8Very low67 Ų67118.7 Ų118.769%0.69174%0.741SS**  133.197.8124.100000120.8
1247A30.8Very low28.9Very low99 Ų99113.8 Ų113.882%0.81873%0.726SS**  trans72.6165.3146.100000121.5
1248C30.7Very low29.1Very low106 Ų106109.5 Ų109.572%0.71672%0.718SS**  trans46.9108.7170.850.80000121.4
1249D26.4Very low29.1Very low169 Ų169109.6 Ų109.690%0.90472%0.717SS**  45.7127.6121.1-47.4-22.5000121.2
1250G27.1Very low29.2Very low69 Ų69110.3 Ų110.371%0.71172%0.721SS**  trans143.295.2149.200000117.9
1251S28.3Very low29.3Very low108 Ų108109 Ų10976%0.75571%0.709SS**  trans36.9121.2136.960.10000122.3
1252S29.4Very low29.1Very low98 Ų98108.1 Ų108.169%0.68570%0.703SS**  trans69.9144.3132.261.10000122.5
1253D28.9Very low28.9Very low115 Ų115112 Ų11262%0.61571%0.71SS**  trans64.8156.5160.8-60.1-13.8000117.1Y1447D1253-Y1447 HydrophobicContact CB-CE1 4.23Å
1254G30.1Very low28.7Very low55 Ų55110.4 Ų110.457%0.56771%0.711SS**  cis-179.6153.1-4.200000113.3Y1447G1254-Y1447 VanDerWaalsContact CA-CZ 3.47Å; G1254-Y1447 WeakPolarHBondContact CA-OH 3.33Å
1255S30.2Very low28.5Very low54 Ų54112.8 Ų112.838%0.37872%0.715SS.*  trans-64.8170.4-178.262.50000115.4Y1447 Q1451S1255-Y1447 PolarHBondContact N-OH 3.05Å; S1255-Y1447 WeakPolarHBondContact O-CE2 3.49Å; S1255-Y1447 PolarHBondContact OG-OH 3.45Å; S1255-Q1451 WeakPolarHBondContact OG-CG 3.22Å; S1255-Q1451 PolarHBondContact OG-NE2 3.47Å
1256G29.2Very low28.2Very low63 Ų63111 Ų11165%0.64971%0.709SS**  trans-177.534.4162.400000125.6
1257S29.4Very low28.1Very low79 Ų79119 Ų11955%0.55272%0.72SS**  trans58174.9142.4-151.30000122.9
1258A29.7Very low27.9Very low84 Ų84118.1 Ų118.169%0.69471%0.713SS**  trans81.2108.3170.200000117.2
1259I28.4Very low27.7Very low145 Ų145121 Ų12174%0.74472%0.715SS**  cis78.69145.7-52.3162.5000113.7
1260I30.4Very low27.7Very low169 Ų169119.8 Ų119.887%0.86771%0.709SS**  trans-145.3122148.9-52.3179.5000103.7
1261D28.7Very low27.8Very low110 Ų110124.6 Ų124.659%0.58872%0.717SS**  cis110.898.323.8-157.326.9000113.3
1262K26.3Very low27.6Very low162 Ų162128.1 Ų128.170%0.70471%0.714SS**  trans47.9131.6153.1-72.5179.6-150.681.90122.4
1263K24.6Very low27.5Very low196 Ų196130.7 Ų130.785%0.85272%0.72SS**  trans71.668.5139-66.4176.7173.3-174.90119.6
1264S25.7Very low27.4Very low110 Ų110130.1 Ų130.177%0.76972%0.724SS**  trans-167.6152.2146.558.60000109.2
1265L26.7Very low27.3Very low162 Ų162132.6 Ų132.685%0.84873%0.731SS**  cis-125.6165.6-2.8-73.585.7000110.8
1266S23.6Very low27.1Very low112 Ų112134.8 Ų134.878%0.78375%0.746SS**  trans-104.3112.7169.756.50000112.2
1267Y24.8Very low27Very low235 Ų235139.4 Ų139.492%0.92276%0.755SS**  trans-157.9129.6167-124-99.7000108.1
1268A27.9Very low26.8Very low80 Ų80139.3 Ų139.366%0.66176%0.759SS**  cis-141.4144-600000111.6
1269Q26.1Very low26.7Very low165 Ų165142.4 Ų142.477%0.77176%0.764SS**  trans-85.9117.9162.8-68.1176.2-25.600109.5
1270N26.4Very low26.6Very low144 Ų144140.6 Ų140.677%0.7776%0.764SS**  trans-172.3122155.3-86.9-38.7000104.9
1271I29.2Very low26.6Very low171 Ų171137.6 Ų137.688%0.87776%0.756SS**  cis-124.2147.844.6-72.2159.9000112.2
1272R24.6Very low26.3Very low182 Ų182140.2 Ų140.269%0.68777%0.769SS**  trans-98.8-177.7175.4-64.6-177.2178.9-177-0.4112
1273N26.8Very low26.5Very low152 Ų152140.1 Ų140.181%0.81377%0.774SS**  trans97.183.9176.2-49.9-15.7000111.6
1274S27.6Very low26.6Very low102 Ų102137.8 Ų137.871%0.71377%0.771SS**  cis69.1155.536.4-34.80000113.2
1275P28.4Very low26.5Very low108 Ų108139.5 Ų139.570%0.70177%0.772SS**  cis-140.8167.49.942-24.5000118
1276S24.7Very low26.5Very low99 Ų99139.3 Ų139.369%0.69277%0.771SS**  trans59154.9143.164.70000120.6
1277L26.5Very low26.5Very low160 Ų160141.3 Ų141.384%0.83877%0.772SS**  cis-136.4168.98.2-78.688.4000108.7
1278A25.7Very low26.5Very low77 Ų77137.3 Ų137.364%0.63677%0.766SS**  cis-171.6173-27.200000108.9
1279N27.9Very low26.3Very low149 Ų149139 Ų13980%0.79777%0.768SS**  trans7574.7162.4-55.3-8.7000120
1280S26.8Very low26.1Very low107 Ų107137.7 Ų137.775%0.74877%0.766SS**  3.5169.4116.263.90000121.5
1281P30.3Very low26.1Very low107 Ų107136.4 Ų136.470%0.69577%0.768SS**  cis-137.5161.94.822.82.9000118.7
1282L22.9Very low25.9Very low165 Ų165136.7 Ų136.786%0.86476%0.764SS**  trans25.8133.5137.5-59.6159.4000122.2
1283I28.6Very low25.9Very low159 Ų159134.8 Ų134.882%0.81577%0.767SS**  -150.2131.6124.8-102.2158.3000110.3
1284D26.7Very low25.9Very low148 Ų148136.4 Ų136.479%0.79177%0.769SS**  trans28137.7161.5-56.2-26.5000125.1
1285N24Very low25.7Very low146 Ų146138.3 Ų138.378%0.78177%0.772SS**  trans-74.8143.5166.5-57-74.2000111.9
1286N26.4Very low25.8Very low157 Ų157140 Ų14084%0.8477%0.77SS**  trans-155.2100.7137.3-104.9-47.2000110.5N1288N1286-N1288 PolarHBondContact O-N 2.99Å
1287I24.5Very low26.2Very low155 Ų155140.8 Ų140.880%0.79577%0.771SS**  trans-73.1118.9171.8-62.5169.8000107.5V1289I1287-V1289 HydrophobicContact CG2-CG2 4.2Å
1288N24.1Very low26.8Very low150 Ų150137 Ų13780%0.80275%0.751SS**  trans-132.7113.2168.1-158.1-10.7000110N1286 N1290N1286-N1288 PolarHBondContact O-N 2.99Å; N1288-N1290 PolarHBondContact O-N 3.16Å
1289V23.4Very low27.7Very low115 Ų115136.6 Ų136.670%0.69774%0.741SS**  trans-81.5114.8-168.4176.70000110.1I1287I1287-V1289 HydrophobicContact CG2-CG2 4.2Å
1290N22.5Very low28.9Very low139 Ų139136.5 Ų136.574%0.74374%0.74SS**  trans-16147.4168.8-109.9-53.7000115.1N1288N1288-N1290 PolarHBondContact O-N 3.16Å
1291S26.3Very low30.5Very low116 Ų116136.2 Ų136.281%0.81173%0.731SS**  trans-101.397.4166.554.70000110.4N1293S1291-N1293 PolarHBondContact O-N 2.84Å
1292K26.1Very low32.3Very low178 Ų178131.8 Ų131.877%0.77470%0.701SS**  trans-70.9125.1-179.6-70.6179.9178.4177.20112.1
1293N23.4Very low34.4Very low141 Ų141126.5 Ų126.575%0.75468%0.677SS**  trans46.186.3147.5-55.318000117.2S1291S1291-N1293 PolarHBondContact O-N 2.84Å
1294Q26.9Very low36.8Very low186 Ų186120.4 Ų120.487%0.86965%0.646SS**  -123.7134.1126.9-67.3-167.7500107.7E1296Q1294-E1296 PolarHBondContact O-N 2.84Å; Q1294-E1296 VanDerWaalsContact O-N 3.08Å
1295N24.4Very low39.7Very low142 Ų142113.4 Ų113.476%0.75961%0.609SS**  trans-80.892.4-174.2-66.7-0.5000109.3T1297N1295-T1297 PolarHBondContact O-N 3.31Å
1296E30.7Very low42.7Very low144 Ų144106.5 Ų106.567%0.67357%0.572SS**  trans-69.483.8165.8-68.6-167.7148.500109.1Q1294 L1298Q1294-E1296 PolarHBondContact O-N 2.84Å; Q1294-E1296 VanDerWaalsContact O-N 3.08Å; E1296-L1298 PolarHBondContact O-N 3.32Å
1297T32.9Very low45.6Very low115 Ų115100.1 Ų100.171%0.70654%0.537SS*.  trans-69.296.8168.552.70000108.4N1295 T1299N1295-T1297 PolarHBondContact O-N 3.31Å; T1297-T1299 PolarHBondContact O-N 2.91Å
1298L37.6Very low48.6Very low81 Ų8194.3 Ų94.342%0.42451%0.507SS..  trans-52.1135.4170.6-83.383.6000109.1H1228 E1296H1228-L1298 HydrophobicContact CB-CD2 4.16Å; E1296-L1298 PolarHBondContact O-N 3.32Å
1299T46.6Very low51.6Low68 Ų6887.1 Ų87.142%0.41747%0.469SS..  trans-101.2148.9169.667.30000108.2T1297 N1301 D1302T1297-T1299 PolarHBondContact O-N 2.91Å; T1299-N1301 PolarHBondContact O-N 2.99Å; T1299-N1301 WeakPolarHBondContact OG1-CB 3.34Å; T1299-N1301 PolarHBondContact OG1-ND2 2.96Å; T1299-D1302 PolarHBondContact O-N 3.05Å; T1299-D1302 VanDerWaalsContact O-N 3.08Å
1300N51.8Low54.6Low148 Ų14881.7 Ų81.779%0.79144%0.436SS*.G310 helixtrans-54.2-17.4178.2-77.5-9.9000113.9D1302N1300-D1302 PolarHBondContact O-N 2.93Å
1301N60Low57.7Low101 Ų10178.2 Ų78.254%0.5442%0.415SS..G310 helixtrans-60.7-25.3177-52.5-43000114T1299 C1303 D1304 I1305T1299-N1301 PolarHBondContact O-N 2.99Å; T1299-N1301 WeakPolarHBondContact OG1-CB 3.34Å; T1299-N1301 PolarHBondContact OG1-ND2 2.96Å; N1301-C1303 VanDerWaalsContact C-N 3.35Å; N1301-C1303 PolarHBondContact O-N 3.18Å; N1301-D1304 CarbonylContact O-C 3.32Å; N1301-D1304 WeakPolarHBondContact O-CA 3.37Å; N1301-D1304 PolarHBondContact O-N 3.31Å; N1301-I1305 PolarHBondContact O-N 3.04Å
1302D67.8Low60.6Low13 Ų1372.8 Ų72.87%0.0738%0.377CS..G310 helixtrans-70.5-34.8-171.3-57.8-21000111.3V1221 T1299 N1300 D1304 I1305V1221-D1302 HydrophobicContact CG1-CB 4.05Å; T1299-D1302 PolarHBondContact O-N 3.05Å; T1299-D1302 VanDerWaalsContact O-N 3.08Å; N1300-D1302 PolarHBondContact O-N 2.93Å; D1302-D1304 VanDerWaalsContact C-N 3.32Å; D1302-I1305 WeakPolarHBondContact O-CG2 2.84Å
1303C67.8Low63.5Low55 Ų5564.3 Ų64.337%0.37234%0.34SS..THydrogen-bonded Turntrans-71.5-26.5170-64.60000112.4Y1222 N1301 I1305Y1222-C1303 WeakPolarHBondContact CE2-O 3.26Å; N1301-C1303 VanDerWaalsContact C-N 3.35Å; N1301-C1303 PolarHBondContact O-N 3.18Å; C1303-I1305 VanDerWaalsContact C-N 3.33Å
1304D79.8Confident66.5Low31 Ų3158.4 Ų58.417%0.16631%0.308CS..THydrogen-bonded Turntrans-85.96.3178.8-77.9-36.8000113.6N1301 D1302 F1306 F1307 L1308 K1358N1301-D1304 CarbonylContact O-C 3.32Å; N1301-D1304 WeakPolarHBondContact O-CA 3.37Å; N1301-D1304 PolarHBondContact O-N 3.31Å; D1302-D1304 VanDerWaalsContact C-N 3.32Å; D1304-F1306 PolarHBondContact O-N 2.95Å; D1304-F1306 VanDerWaalsContact O-N 3.09Å; D1304-F1307 HydrophobicContact CB-CB 4.44Å; D1304-F1307 CarbonylContact O-C 3.5Å; D1304-F1307 WeakPolarHBondContact O-CA 3.25Å; D1304-F1307 VanDerWaalsContact O-CB 3.31Å; D1304-F1307 WeakPolarHBondContact O-CB 3.48Å; D1304-F1307 PolarHBondContact O-N 3.17Å; D1304-L1308 PolarHBondContact O-N 3.09Å; D1304-K1358 IonicContact OD1-NZ 2.89Å; D1304-K1358 PolarHBondContact OD1-NZ 3.24Å; D1304-K1358 IonicContact OD2-NZ 3.72Å; D1304-K1358 PolarHBondContact OD2-NZ 3.06Å
1305I86Confident69.2Low0 Ų054.7 Ų54.70%029%0.291CS..Hα-helixtrans-61.2-28.7-170-163.1167.3000114.3H1197 L1201 C1218 V1221 N1301 D1302 C1303 L1308 L1309H1197-I1305 HydrophobicContact CB-CD1 3.91Å; H1197-I1305 HydrophobicContact CB-CG1 4.42Å; L1201-I1305 HydrophobicContact CD1-CD1 4.42Å; L1201-I1305 HydrophobicContact CD1-CG1 4Å; C1218-I1305 HydrophobicContact CB-CG2 4.18Å; V1221-I1305 HydrophobicContact CB-CD1 3.7Å; V1221-I1305 HydrophobicContact CB-CG2 4.37Å; V1221-I1305 HydrophobicContact CG1-CD1 3.85Å; V1221-I1305 HydrophobicContact CG1-CG2 4.36Å; V1221-I1305 HydrophobicContact CG2-CD1 3.82Å; N1301-I1305 PolarHBondContact O-N 3.04Å; D1302-I1305 WeakPolarHBondContact O-CG2 2.84Å; C1303-I1305 VanDerWaalsContact C-N 3.33Å; I1305-L1308 PolarHBondContact O-N 3.49Å; I1305-L1309 PolarHBondContact O-N 3.47Å
1306F87.4Confident72Confident1 Ų149.4 Ų49.40%0.00426%0.264CS..Hα-helixtrans-71.6-36.4171.2-72.7-74.6000112.9C1218 I1219 Y1222 D1304 L1308 L1309 I1310 I1346 Y1350 L1353 V1354C1218-F1306 HydrophobicContact CB-CD1 3.94Å; C1218-F1306 HydrophobicContact CB-CE1 3.62Å; C1218-F1306 HydrophobicContact CB-CE2 4.46Å; C1218-F1306 HydrophobicContact CB-CG 4.49Å; C1218-F1306 HydrophobicContact CB-CZ 3.91Å; I1219-F1306 HydrophobicContact CG1-CZ 4.11Å; Y1222-F1306 AromaticContact CD2-CD2 3.89Å; Y1222-F1306 HydrophobicContact CD2-CD2 3.89Å; Y1222-F1306 AromaticContact CD2-CE2 3.96Å; Y1222-F1306 HydrophobicContact CD2-CE2 3.96Å; Y1222-F1306 HydrophobicContact CE2-CD2 4.44Å; Y1222-F1306 HydrophobicContact CG-CD2 4.27Å; Y1222-F1306 AromaticContact CG-CE2 3.85Å; Y1222-F1306 HydrophobicContact CG-CE2 3.85Å; D1304-F1306 PolarHBondContact O-N 2.95Å; D1304-F1306 VanDerWaalsContact O-N 3.09Å; F1306-L1308 VanDerWaalsContact C-N 3.33Å; F1306-L1309 PolarHBondContact O-N 3.05Å; F1306-I1310 WeakPolarHBondContact O-CD1 3.36Å; F1306-I1310 WeakPolarHBondContact O-CG1 3.39Å; F1306-I1310 PolarHBondContact O-N 3.18Å; F1306-I1346 HydrophobicContact CD1-CG2 4.1Å; F1306-Y1350 HydrophobicContact CD1-CD2 4.14Å; F1306-Y1350 HydrophobicContact CD1-CG 4.09Å; F1306-Y1350 AromaticContact CE1-CD1 3.91Å; F1306-Y1350 HydrophobicContact CE1-CD1 3.91Å; F1306-Y1350 AromaticContact CE1-CD2 3.83Å; F1306-Y1350 HydrophobicContact CE1-CD2 3.83Å; F1306-Y1350 HydrophobicContact CE1-CE1 4.1Å; F1306-Y1350 HydrophobicContact CE1-CE2 4.02Å; F1306-Y1350 AromaticContact CE1-CG 3.77Å; F1306-Y1350 HydrophobicContact CE1-CG 3.77Å; F1306-Y1350 AromaticContact CZ-CD1 3.9Å; F1306-Y1350 HydrophobicContact CZ-CD1 3.9Å; F1306-Y1350 HydrophobicContact CZ-CE1 4.06Å; F1306-Y1350 HydrophobicContact CZ-CG 4.2Å; F1306-L1353 HydrophobicContact CD2-CB 4.14Å; F1306-L1353 HydrophobicContact CD2-CD1 4.21Å; F1306-L1353 HydrophobicContact CE2-CB 4.49Å; F1306-L1353 HydrophobicContact CE2-CD1 3.72Å; F1306-L1353 HydrophobicContact CZ-CD1 4.28Å; F1306-V1354 HydrophobicContact CB-CG2 3.77Å
1307F87.6Confident74.4Confident24 Ų2443.5 Ų43.511%0.10524%0.238CC..Hα-helixtrans-63.9-40.4170.8173.5-109.5000110.9D1304 L1309 I1310 Q1311 V1354 K1358 V1359 I1362D1304-F1307 HydrophobicContact CB-CB 4.44Å; D1304-F1307 CarbonylContact O-C 3.5Å; D1304-F1307 WeakPolarHBondContact O-CA 3.25Å; D1304-F1307 VanDerWaalsContact O-CB 3.31Å; D1304-F1307 WeakPolarHBondContact O-CB 3.48Å; D1304-F1307 PolarHBondContact O-N 3.17Å; F1307-L1309 PolarHBondContact O-N 3Å; F1307-I1310 WeakPolarHBondContact O-CB 3.36Å; F1307-I1310 PolarHBondContact O-N 3.09Å; F1307-Q1311 WeakPolarHBondContact O-CB 3.47Å; F1307-Q1311 PolarHBondContact O-N 3Å; F1307-V1354 HydrophobicContact CB-CG1 3.74Å; F1307-V1354 HydrophobicContact CD2-CG1 4.4Å; F1307-K1358 HydrophobicContact CD1-CB 4.23Å; F1307-K1358 HydrophobicContact CD1-CD 4.29Å; F1307-K1358 HydrophobicContact CD2-CB 3.82Å; F1307-K1358 HydrophobicContact CE1-CB 4.01Å; F1307-K1358 HydrophobicContact CE1-CD 4.44Å; F1307-K1358 HydrophobicContact CE2-CB 3.59Å; F1307-K1358 VanDerWaalsContact CE2-O 3.32Å; F1307-K1358 WeakPolarHBondContact CE2-O 3.22Å; F1307-K1358 HydrophobicContact CG-CB 4.13Å; F1307-K1358 HydrophobicContact CZ-CB 3.67Å; F1307-V1359 HydrophobicContact CD2-CG2 4.15Å; F1307-I1362 HydrophobicContact CE1-CD1 4.28Å; F1307-I1362 HydrophobicContact CE2-CD1 3.81Å; F1307-I1362 HydrophobicContact CE2-CG1 4.17Å; F1307-I1362 HydrophobicContact CZ-CD1 3.35Å; F1307-I1362 HydrophobicContact CZ-CG1 3.96Å
1308L86.9Confident76.7Confident32 Ų3243.4 Ų43.417%0.16823%0.229CC..Hα-helixtrans-62.5-41.4175.3-172.160.4000112.2H1197 E1198 D1304 I1305 F1306 Q1311 I1312H1197-L1308 HydrophobicContact CB-CD2 4.07Å; E1198-L1308 HydrophobicContact CB-CD1 4.09Å; E1198-L1308 HydrophobicContact CB-CD2 4.1Å; E1198-L1308 HydrophobicContact CB-CG 4.37Å; E1198-L1308 HydrophobicContact CG-CD1 4.02Å; D1304-L1308 PolarHBondContact O-N 3.09Å; I1305-L1308 PolarHBondContact O-N 3.49Å; F1306-L1308 VanDerWaalsContact C-N 3.33Å; L1308-Q1311 PolarHBondContact O-N 2.88Å; L1308-I1312 HydrophobicContact CD1-CD1 4.47Å; L1308-I1312 HydrophobicContact CG-CD1 4.13Å; L1308-I1312 WeakPolarHBondContact O-CD1 3.33Å; L1308-I1312 VanDerWaalsContact O-CG1 3.28Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.39Å; L1308-I1312 PolarHBondContact O-N 2.95Å
1309L88.4Confident78.7Confident0 Ų039.9 Ų39.90%021%0.212CC..Hα-helixtrans-62.1-41.3173179.158.9000112.3L1201 V1205 W1211 A1214 V1215 I1305 F1306 F1307 C1313 I1346L1201-L1309 HydrophobicContact CD1-CB 4.41Å; L1201-L1309 HydrophobicContact CD2-CD1 4.36Å; V1205-L1309 HydrophobicContact CG2-CD1 3.62Å; W1211-L1309 HydrophobicContact CH2-CD1 4.3Å; W1211-L1309 HydrophobicContact CH2-CD2 4.07Å; W1211-L1309 HydrophobicContact CH2-CG 4.26Å; W1211-L1309 HydrophobicContact CZ3-CD1 3.88Å; W1211-L1309 HydrophobicContact CZ3-CD2 4.33Å; W1211-L1309 HydrophobicContact CZ3-CG 4.35Å; A1214-L1309 HydrophobicContact CB-CD1 4.47Å; V1215-L1309 HydrophobicContact CG2-CD2 4.36Å; I1305-L1309 PolarHBondContact O-N 3.47Å; F1306-L1309 PolarHBondContact O-N 3.05Å; F1307-L1309 PolarHBondContact O-N 3Å; L1309-C1313 PolarHBondContact O-N 3.21Å; L1309-C1313 VanDerWaalsContact O-N 3.09Å; L1309-C1313 PolarHBondContact O-SG 3.17Å; L1309-I1346 HydrophobicContact CD2-CD1 3.76Å; L1309-I1346 HydrophobicContact CD2-CG1 3.84Å; L1309-I1346 HydrophobicContact CG-CG1 4.38Å
1310I86.4Confident80.3Confident1 Ų140.1 Ų40.11%0.00522%0.221CC..Hα-helixtrans-62.6-47.4174-72.4157.2000110.6F1306 F1307 I1312 C1313 L1314 A1343 I1346 L1347 V1354F1306-I1310 WeakPolarHBondContact O-CD1 3.36Å; F1306-I1310 WeakPolarHBondContact O-CG1 3.39Å; F1306-I1310 PolarHBondContact O-N 3.18Å; F1307-I1310 WeakPolarHBondContact O-CB 3.36Å; F1307-I1310 PolarHBondContact O-N 3.09Å; I1310-I1312 PolarHBondContact O-N 3.32Å; I1310-C1313 WeakPolarHBondContact O-CB 3.48Å; I1310-C1313 PolarHBondContact O-N 2.89Å; I1310-C1313 VanDerWaalsContact O-N 3.13Å; I1310-L1314 HydrophobicContact CG2-CD1 3.97Å; I1310-L1314 WeakPolarHBondContact O-CG 3.34Å; I1310-L1314 PolarHBondContact O-N 3.47Å; I1310-L1314 VanDerWaalsContact O-N 3.13Å; I1310-A1343 HydrophobicContact CG2-CB 4.26Å; I1310-I1346 HydrophobicContact CD1-CG2 3.89Å; I1310-I1346 HydrophobicContact CG1-CB 4.15Å; I1310-I1346 HydrophobicContact CG1-CG2 3.89Å; I1310-L1347 HydrophobicContact CD1-CD2 3.58Å; I1310-L1347 HydrophobicContact CD1-CG 3.71Å; I1310-L1347 HydrophobicContact CG1-CG 4.25Å; I1310-V1354 HydrophobicContact CD1-CG1 3.92Å; I1310-V1354 HydrophobicContact CD1-CG2 4.19Å
1311Q87.1Confident81.6Confident66 Ų6636.5 Ų36.531%0.30821%0.207SC..Hα-helixtrans-57.1-47177.7179.7175.2-40.200111F1307 L1308 C1313 L1314 H1315 I1362F1307-Q1311 WeakPolarHBondContact O-CB 3.47Å; F1307-Q1311 PolarHBondContact O-N 3Å; L1308-Q1311 PolarHBondContact O-N 2.88Å; Q1311-C1313 VanDerWaalsContact C-N 3.3Å; Q1311-C1313 PolarHBondContact O-N 3.38Å; Q1311-L1314 PolarHBondContact O-N 3.1Å; Q1311-L1314 VanDerWaalsContact O-N 3.13Å; Q1311-H1315 CarbonylContact O-C 3.57Å; Q1311-H1315 WeakPolarHBondContact O-CA 3.28Å; Q1311-H1315 PolarHBondContact O-N 3.42Å; Q1311-I1362 HydrophobicContact CB-CD1 4.15Å; Q1311-I1362 HydrophobicContact CG-CD1 3.91Å
1312I87.4Confident82.5Confident2 Ų232.1 Ų32.11%0.0118%0.183CC..Hα-helixtrans-63.4-33.5177.3-71.6162.3000112.7E1198 L1201 S1202 V1205 H1206 L1308 I1310 L1314E1198-I1312 HydrophobicContact CB-CD1 4.4Å; E1198-I1312 HydrophobicContact CG-CD1 3.87Å; E1198-I1312 HydrophobicContact CG-CG1 4.12Å; E1198-I1312 WeakPolarHBondContact O-CD1 3.39Å; L1201-I1312 HydrophobicContact CB-CD1 3.59Å; L1201-I1312 HydrophobicContact CD1-CD1 4.29Å; S1202-I1312 VanDerWaalsContact OG-CG2 3.27Å; S1202-I1312 WeakPolarHBondContact OG-CG2 3.22Å; V1205-I1312 HydrophobicContact CB-CG2 4.48Å; H1206-I1312 PolarHBondContact NE2-O 3.14Å; L1308-I1312 HydrophobicContact CD1-CD1 4.47Å; L1308-I1312 HydrophobicContact CG-CD1 4.13Å; L1308-I1312 WeakPolarHBondContact O-CD1 3.33Å; L1308-I1312 VanDerWaalsContact O-CG1 3.28Å; L1308-I1312 WeakPolarHBondContact O-CG1 3.39Å; L1308-I1312 PolarHBondContact O-N 2.95Å; I1310-I1312 PolarHBondContact O-N 3.32Å; I1312-L1314 VanDerWaalsContact C-N 3.32Å
1313C87.4Confident82.8Confident0 Ų032.7 Ų32.70%019%0.192CC..Hα-helixtrans-71.7-25.6176.4-70.10000112.9L1309 I1310 Q1311 K1339 A1343L1309-C1313 PolarHBondContact O-N 3.21Å; L1309-C1313 VanDerWaalsContact O-N 3.09Å; L1309-C1313 PolarHBondContact O-SG 3.17Å; I1310-C1313 WeakPolarHBondContact O-CB 3.48Å; I1310-C1313 PolarHBondContact O-N 2.89Å; I1310-C1313 VanDerWaalsContact O-N 3.13Å; Q1311-C1313 VanDerWaalsContact C-N 3.3Å; Q1311-C1313 PolarHBondContact O-N 3.38Å; C1313-K1339 CarbonylContact O-C 3.46Å; C1313-K1339 PolarHBondContact O-N 2.95Å; C1313-A1343 HydrophobicContact CB-CB 3.86Å
1314L85.2Confident83.4Confident17 Ų1730.5 Ų30.59%0.08918%0.177CC..Hα-helixtrans-97.1-39.8179.9-64172.7000112.6I1310 Q1311 I1312 P1340 A1343 I1362 I1363 V1366I1310-L1314 HydrophobicContact CG2-CD1 3.97Å; I1310-L1314 WeakPolarHBondContact O-CG 3.34Å; I1310-L1314 PolarHBondContact O-N 3.47Å; I1310-L1314 VanDerWaalsContact O-N 3.13Å; Q1311-L1314 PolarHBondContact O-N 3.1Å; Q1311-L1314 VanDerWaalsContact O-N 3.13Å; I1312-L1314 VanDerWaalsContact C-N 3.32Å; L1314-P1340 HydrophobicContact CD2-CB 3.92Å; L1314-A1343 HydrophobicContact CD1-CB 4.39Å; L1314-A1343 HydrophobicContact CD2-CB 3.99Å; L1314-A1343 HydrophobicContact CG-CB 3.97Å; L1314-I1362 HydrophobicContact CD1-CG2 3.74Å; L1314-I1363 HydrophobicContact CD1-CG1 4.06Å; L1314-V1366 HydrophobicContact CD2-CG2 4.45Å
1315H84.5Confident83.3Confident107 Ų10733.1 Ų33.150%0.49519%0.194SC..SBendtrans-127.282.6-178.3-59.4-64.8000109.1Q1311 T1317Q1311-H1315 CarbonylContact O-C 3.57Å; Q1311-H1315 WeakPolarHBondContact O-CA 3.28Å; Q1311-H1315 PolarHBondContact O-N 3.42Å; H1315-T1317 PolarHBondContact O-N 2.96Å
1316P82.4Confident82.7Confident32 Ų3235 Ų3521%0.20820%0.203CC..PPolyproline II helixtrans-61131.817820-29.8000112.3F1336 P1338P1316-F1336 HydrophobicContact CB-CB 3.8Å; P1316-F1336 HydrophobicContact CG-CB 4.29Å; P1316-F1336 VanDerWaalsContact CG-O 3.29Å; P1316-F1336 WeakPolarHBondContact CG-O 3.33Å; P1316-P1338 HydrophobicContact CG-CG 4.25Å
1317T82.6Confident81.6Confident19 Ų1937.7 Ų37.712%0.11722%0.221CC..PPolyproline II helixtrans-62136.8168.1-23.50000110E1198 S1202 H1315 L1322 F1336E1198-T1317 WeakPolarHBondContact OE1-CG2 3.15Å; E1198-T1317 PolarHBondContact OE1-OG1 3.32Å; S1202-T1317 PolarHBondContact OG-OG1 3.22Å; H1315-T1317 PolarHBondContact O-N 2.96Å; T1317-L1322 HydrophobicContact CG2-CD2 4.25Å; T1317-F1336 WeakPolarHBondContact O-CD2 3.17Å
1318E80.9Confident80.1Confident113 Ų11341.9 Ų41.953%0.52825%0.253SS..PPolyproline II helixtrans-65.5147.2-177.8-67.4-163.916500112.7A1320 S1321 L1322E1318-A1320 PolarHBondContact O-N 3.11Å; E1318-A1320 VanDerWaalsContact O-N 3.16Å; E1318-S1321 WeakPolarHBondContact O-CB 3.44Å; E1318-S1321 PolarHBondContact O-N 2.96Å; E1318-L1322 PolarHBondContact O-N 3.34Å
1319P79.9Confident78.1Confident8 Ų842.9 Ų42.95%0.05226%0.263CS..THydrogen-bonded Turntrans-53.4-36.5176.3-26.233.3000113.7L1322 G1323 I1324 L1326 F1336P1319-L1322 PolarHBondContact O-N 3.45Å; P1319-G1323 PolarHBondContact O-N 3.38Å; P1319-I1324 HydrophobicContact CB-CD1 4.06Å; P1319-I1324 HydrophobicContact CB-CG1 3.93Å; P1319-I1324 WeakPolarHBondContact O-CG1 3.4Å; P1319-I1324 PolarHBondContact O-N 3.33Å; P1319-L1326 HydrophobicContact CG-CD1 4.24Å; P1319-F1336 HydrophobicContact CB-CE2 4.36Å; P1319-F1336 HydrophobicContact CB-CZ 4.42Å; P1319-F1336 HydrophobicContact CG-CD2 4.08Å; P1319-F1336 HydrophobicContact CG-CE1 4.38Å; P1319-F1336 HydrophobicContact CG-CE2 3.77Å; P1319-F1336 HydrophobicContact CG-CZ 3.95Å
1320A79.2Confident76.1Confident73 Ų7349.3 Ų49.360%0.60331%0.305SS*.THydrogen-bonded Turntrans-63.2-42.5176.800000112.2E1318 L1322 G1323E1318-A1320 PolarHBondContact O-N 3.11Å; E1318-A1320 VanDerWaalsContact O-N 3.16Å; A1320-L1322 VanDerWaalsContact C-N 3.28Å; A1320-L1322 PolarHBondContact O-N 2.93Å; A1320-G1323 PolarHBondContact O-N 2.81Å
1321S79.2Confident74.2Confident72 Ų7256.5 Ų56.550%0.50334%0.343SS..THydrogen-bonded Turntrans-64.4-31.4177.4-48.70000112.8E1318 G1323E1318-S1321 WeakPolarHBondContact O-CB 3.44Å; E1318-S1321 PolarHBondContact O-N 2.96Å; S1321-G1323 PolarHBondContact O-N 3.45Å
1322L77.8Confident72.2Confident8 Ų861.6 Ų61.64%0.04236%0.364CS..THydrogen-bonded Turntrans-77.2-5.7174.8-58.7-178.8000113.4H1199 L1203 T1317 E1318 P1319 A1320 I1324 F1336H1199-L1322 HydrophobicContact CB-CD2 3.78Å; L1203-L1322 HydrophobicContact CD2-CD1 4.07Å; L1203-L1322 HydrophobicContact CG-CD1 4.28Å; T1317-L1322 HydrophobicContact CG2-CD2 4.25Å; E1318-L1322 PolarHBondContact O-N 3.34Å; P1319-L1322 PolarHBondContact O-N 3.45Å; A1320-L1322 VanDerWaalsContact C-N 3.28Å; A1320-L1322 PolarHBondContact O-N 2.93Å; L1322-I1324 HydrophobicContact CB-CG1 4.16Å; L1322-I1324 HydrophobicContact CD1-CD1 4.45Å; L1322-F1336 HydrophobicContact CD1-CE2 3.8Å
1323G74.4Confident70.4Confident25 Ų2566.1 Ų66.126%0.25840%0.396SS..THydrogen-bonded Turntrans62.453.4-174.500000111.8Y1180 R1187 P1319 A1320 S1321Y1180-G1323 WeakPolarHBondContact CD1-O 3.37Å; R1187-G1323 VanDerWaalsContact CZ-O 3.28Å; R1187-G1323 PolarHBondContact NE-O 3.43Å; R1187-G1323 PolarHBondContact NH2-O 2.94Å; P1319-G1323 PolarHBondContact O-N 3.38Å; A1320-G1323 PolarHBondContact O-N 2.81Å; S1321-G1323 PolarHBondContact O-N 3.45Å
1324I80.7Confident69.2Low10 Ų1070.3 Ų70.35%0.05142%0.422CS..  trans-134.1153.4172.957.1167.5000112.2Y1180 F1184 L1203 L1207 P1319 L1322 F1336Y1180-I1324 CarbonylContact O-C 3.49Å; Y1180-I1324 VanDerWaalsContact O-CA 3.22Å; Y1180-I1324 WeakPolarHBondContact O-CA 3.27Å; F1184-I1324 HydrophobicContact CD1-CG2 3.91Å; F1184-I1324 HydrophobicContact CE1-CB 3.99Å; F1184-I1324 HydrophobicContact CE1-CG2 3.75Å; L1203-I1324 HydrophobicContact CD2-CD1 3.91Å; L1203-I1324 HydrophobicContact CD2-CG2 4.12Å; L1207-I1324 HydrophobicContact CD2-CD1 3.88Å; P1319-I1324 HydrophobicContact CB-CD1 4.06Å; P1319-I1324 HydrophobicContact CB-CG1 3.93Å; P1319-I1324 WeakPolarHBondContact O-CG1 3.4Å; P1319-I1324 PolarHBondContact O-N 3.33Å; L1322-I1324 HydrophobicContact CB-CG1 4.16Å; L1322-I1324 HydrophobicContact CD1-CD1 4.45Å; I1324-F1336 HydrophobicContact CD1-CZ 3.92Å
1325V79Confident68.4Low86 Ų8674 Ų7452%0.52145%0.447SS..  trans-117.9128.4170.5179.40000108.2Y1180Y1180-V1325 PolarHBondContact O-N 3.13Å
1326L73.3Confident68.3Low38 Ų3870 Ų7020%0.19943%0.428CS..  trans-80.9126.9178.7-66.1174.9000109.9L1207 P1319 S1328L1207-L1326 HydrophobicContact CD1-CD2 3.54Å; P1319-L1326 HydrophobicContact CG-CD1 4.24Å; L1326-S1328 PolarHBondContact O-N 3.13Å
1327P62.7Low68.3Low59 Ų5973.5 Ų73.538%0.38345%0.449SS..THydrogen-bonded Turntrans-63.58.3-175.3-26.235.4000117.7P1136P1136-P1327 HydrophobicContact CB-CB 4.27Å
1328S56.9Low68.3Low111 Ų11176.1 Ų76.178%0.77647%0.466SS*.THydrogen-bonded Turntrans-115.9-5.6-163-52.30000115.9L1326L1326-S1328 PolarHBondContact O-N 3.13Å
1329S45.9Very low68.6Low53 Ų5373 Ų7337%0.37145%0.451SS..  trans-159.2130.2163.61140000111.5N1331 K1332S1329-N1331 VanDerWaalsContact C-N 3.27Å; S1329-N1331 PolarHBondContact O-N 3.36Å; S1329-K1332 PolarHBondContact OG-N 3.28Å; S1329-K1332 VanDerWaalsContact OG-N 3.09Å; S1329-K1332 PolarHBondContact OG-O 3.26Å; S1329-K1332 VanDerWaalsContact OG-O 3.06Å
1330P46.4Very low68.7Low135 Ų13575.1 Ų75.188%0.87747%0.465SS*.SBendtrans-71.7-11.1177-22.834.7000115.8
1331N45.4Very low69Low153 Ų15379.6 Ų79.682%0.81847%0.471SS*.SBendtrans-134.30.3-161.6-84.9-41.7000116.3S1329S1329-N1331 VanDerWaalsContact C-N 3.27Å; S1329-N1331 PolarHBondContact O-N 3.36Å
1332K45.1Very low69.3Low172 Ų17278.7 Ų78.775%0.74846%0.458SS*.  trans-142.6126.5169.8-67.4-171.2178.9-179.70111.1S1329 T1334S1329-K1332 PolarHBondContact OG-N 3.28Å; S1329-K1332 VanDerWaalsContact OG-N 3.09Å; S1329-K1332 PolarHBondContact OG-O 3.26Å; S1329-K1332 VanDerWaalsContact OG-O 3.06Å; K1332-T1334 PolarHBondContact O-N 3.03Å
1333S50Low69.6Low98 Ų9878.4 Ų78.469%0.68546%0.457SS*.  trans-70.1109.3165.7380000109.3P1335S1333-P1335 WeakPolarHBondContact O-CD 3.46Å
1334T61.7Low70Confident88 Ų8879.6 Ų79.654%0.5446%0.457SS..  trans-79.2114.1166.745.40000108.7K1332K1332-T1334 PolarHBondContact O-N 3.03Å
1335P69.4Low70.1Confident94 Ų9483.1 Ų83.161%0.6147%0.473SS*.PPolyproline II helixtrans-64.5149.1176.328.5-34.8000109.9S1333S1333-P1335 WeakPolarHBondContact O-CD 3.46Å
1336F82Confident70.3Confident24 Ų2479.1 Ų79.111%0.10545%0.449CS..PPolyproline II helixtrans-65.1148173.3-63.4-58.7000110.6H1206 L1207 P1316 T1317 P1319 L1322 I1324H1206-F1336 HydrophobicContact CB-CB 3.88Å; H1206-F1336 HydrophobicContact CB-CD1 3.67Å; H1206-F1336 HydrophobicContact CB-CD2 3.84Å; H1206-F1336 HydrophobicContact CB-CE1 4.05Å; H1206-F1336 HydrophobicContact CB-CE2 4.21Å; H1206-F1336 HydrophobicContact CB-CG 3.55Å; H1206-F1336 HydrophobicContact CB-CZ 4.3Å; L1207-F1336 HydrophobicContact CB-CE1 4.27Å; L1207-F1336 HydrophobicContact CB-CZ 4.16Å; L1207-F1336 HydrophobicContact CD1-CE1 4.28Å; P1316-F1336 HydrophobicContact CB-CB 3.8Å; P1316-F1336 HydrophobicContact CG-CB 4.29Å; P1316-F1336 VanDerWaalsContact CG-O 3.29Å; P1316-F1336 WeakPolarHBondContact CG-O 3.33Å; T1317-F1336 WeakPolarHBondContact O-CD2 3.17Å; P1319-F1336 HydrophobicContact CB-CE2 4.36Å; P1319-F1336 HydrophobicContact CB-CZ 4.42Å; P1319-F1336 HydrophobicContact CG-CD2 4.08Å; P1319-F1336 HydrophobicContact CG-CE1 4.38Å; P1319-F1336 HydrophobicContact CG-CE2 3.77Å; P1319-F1336 HydrophobicContact CG-CZ 3.95Å; L1322-F1336 HydrophobicContact CD1-CE2 3.8Å; I1324-F1336 HydrophobicContact CD1-CZ 3.92Å
1337T81.7Confident70.7Confident104 Ų10477.5 Ų77.564%0.63844%0.44SS*.PPolyproline II helixtrans-84.8130.7179.845.60000111H1206H1206-T1337 PolarHBondContact CE1-O 3.41Å
1338P83.1Confident71.7Confident75 Ų7580 Ų8049%0.48745%0.447SS..PPolyproline II helixtrans-54.9141.7172.4-27.535.5000112.2P1316 P1340P1316-P1338 HydrophobicContact CG-CG 4.25Å; P1338-P1340 VanDerWaalsContact O-CD 3.23Å; P1338-P1340 WeakPolarHBondContact O-CD 3.45Å
1339K86.5Confident72.9Confident46 Ų4680.8 Ų80.820%0.244%0.438CS..  trans-117.361.2-179.1-61.2-174-177.3-177.40110.5V1205 N1209 C1313 K1341 K1342 A1343V1205-K1339 HydrophobicContact CG1-CD 4.17Å; V1205-K1339 PolarHBondContact O-NZ 2.97Å; N1209-K1339 PolarHBondContact OD1-NZ 3.4Å; C1313-K1339 CarbonylContact O-C 3.46Å; C1313-K1339 PolarHBondContact O-N 2.95Å; K1339-K1341 PolarHBondContact O-N 3.28Å; K1339-K1341 VanDerWaalsContact O-N 3.11Å; K1339-K1342 HydrophobicContact CB-CB 4.18Å; K1339-K1342 HydrophobicContact CB-CG 4.11Å; K1339-K1342 VanDerWaalsContact O-CB 3.3Å; K1339-K1342 WeakPolarHBondContact O-CB 3.05Å; K1339-K1342 PolarHBondContact O-N 3.14Å; K1339-A1343 PolarHBondContact O-N 3.46Å
1340P82.6Confident74.6Confident54 Ų5479.9 Ų79.935%0.35143%0.427SS..Hα-helixtrans-60.7-27.6-172.224.3-35.1000114.3L1314 P1338 K1342 A1343 L1344L1314-P1340 HydrophobicContact CD2-CB 3.92Å; P1338-P1340 VanDerWaalsContact O-CD 3.23Å; P1338-P1340 WeakPolarHBondContact O-CD 3.45Å; P1340-K1342 VanDerWaalsContact C-N 3.28Å; P1340-K1342 PolarHBondContact O-N 3.23Å; P1340-A1343 WeakPolarHBondContact O-CB 3.37Å; P1340-A1343 PolarHBondContact O-N 3.31Å; P1340-L1344 WeakPolarHBondContact O-CG 3.17Å; P1340-L1344 PolarHBondContact O-N 2.87Å; P1340-L1344 VanDerWaalsContact O-N 3.09Å
1341K85Confident76Confident166 Ų16674 Ų7472%0.72239%0.389SS*.Hα-helixtrans-58.7-39.6172.8-64.5-173.3178.9-175.90112.2K1339 L1344 E1345K1339-K1341 PolarHBondContact O-N 3.28Å; K1339-K1341 VanDerWaalsContact O-N 3.11Å; K1341-L1344 PolarHBondContact O-N 3.5Å; K1341-E1345 WeakPolarHBondContact O-CG 3.27Å; K1341-E1345 PolarHBondContact O-N 3.37Å
1342K86.3Confident77.4Confident54 Ų5470.9 Ų70.924%0.23538%0.376CS..Hα-helixtrans-69.3-35.1178.1-69-95.3161.2-141.50112.3W1211 K1339 P1340 E1345 I1346W1211-K1342 VanDerWaalsContact CD1-NZ 3.29Å; W1211-K1342 HydrophobicContact CD2-CD 3.44Å; W1211-K1342 VanDerWaalsContact CD2-CD 3.44Å; W1211-K1342 HydrophobicContact CE3-CD 3.55Å; W1211-K1342 HydrophobicContact CG-CD 4.05Å; W1211-K1342 HydrophobicContact CH2-CB 3.71Å; W1211-K1342 HydrophobicContact CH2-CD 3.79Å; W1211-K1342 HydrophobicContact CH2-CG 4.41Å; W1211-K1342 HydrophobicContact CZ2-CB 4.17Å; W1211-K1342 HydrophobicContact CZ2-CD 3.68Å; W1211-K1342 HydrophobicContact CZ3-CB 3.96Å; W1211-K1342 HydrophobicContact CZ3-CD 3.72Å; W1211-K1342 HydrophobicContact CZ3-CG 4.39Å; K1339-K1342 HydrophobicContact CB-CB 4.18Å; K1339-K1342 HydrophobicContact CB-CG 4.11Å; K1339-K1342 VanDerWaalsContact O-CB 3.3Å; K1339-K1342 WeakPolarHBondContact O-CB 3.05Å; K1339-K1342 PolarHBondContact O-N 3.14Å; P1340-K1342 VanDerWaalsContact C-N 3.28Å; P1340-K1342 PolarHBondContact O-N 3.23Å; K1342-E1345 WeakPolarHBondContact CD-OE2 3.44Å; K1342-E1345 WeakPolarHBondContact CE-OE2 3.5Å; K1342-E1345 IonicContact NZ-OE2 2.75Å; K1342-E1345 PolarHBondContact NZ-OE2 2.96Å; K1342-E1345 PolarHBondContact O-N 2.9Å; K1342-I1346 PolarHBondContact O-N 3.5Å
1343A83.5Confident78.9Confident2 Ų265 Ų652%0.01735%0.352CS..Hα-helixtrans-63.1-43.6171.600000111.5I1310 C1313 L1314 K1339 P1340 I1346 L1347I1310-A1343 HydrophobicContact CG2-CB 4.26Å; C1313-A1343 HydrophobicContact CB-CB 3.86Å; L1314-A1343 HydrophobicContact CD1-CB 4.39Å; L1314-A1343 HydrophobicContact CD2-CB 3.99Å; L1314-A1343 HydrophobicContact CG-CB 3.97Å; K1339-A1343 PolarHBondContact O-N 3.46Å; P1340-A1343 WeakPolarHBondContact O-CB 3.37Å; P1340-A1343 PolarHBondContact O-N 3.31Å; A1343-I1346 PolarHBondContact O-N 3.46Å; A1343-L1347 WeakPolarHBondContact O-CG 3.26Å; A1343-L1347 PolarHBondContact O-N 2.89Å
1344L82.2Confident80.2Confident50 Ų5060.6 Ų60.626%0.26232%0.321SS..Hα-helixtrans-67.2-36.4176.4-66.7169.9000112.6P1340 K1341 L1347 H1348 V1366P1340-L1344 WeakPolarHBondContact O-CG 3.17Å; P1340-L1344 PolarHBondContact O-N 2.87Å; P1340-L1344 VanDerWaalsContact O-N 3.09Å; K1341-L1344 PolarHBondContact O-N 3.5Å; L1344-L1347 HydrophobicContact CD2-CD1 4.45Å; L1344-L1347 PolarHBondContact O-N 3.47Å; L1344-H1348 WeakPolarHBondContact O-CB 3.41Å; L1344-H1348 PolarHBondContact O-N 3.01Å; L1344-V1366 HydrophobicContact CD1-CG1 4.46Å
1345E84Confident80.9Confident84 Ų8459 Ų5939%0.39331%0.309SS..Hα-helixtrans-55.9-49.4171.4-75.2160.7-148.200111.3K1341 K1342 H1348 Q1349K1341-E1345 WeakPolarHBondContact O-CG 3.27Å; K1341-E1345 PolarHBondContact O-N 3.37Å; K1342-E1345 WeakPolarHBondContact CD-OE2 3.44Å; K1342-E1345 WeakPolarHBondContact CE-OE2 3.5Å; K1342-E1345 IonicContact NZ-OE2 2.75Å; K1342-E1345 PolarHBondContact NZ-OE2 2.96Å; K1342-E1345 PolarHBondContact O-N 2.9Å; E1345-H1348 PolarHBondContact O-N 2.78Å; E1345-Q1349 WeakPolarHBondContact O-CB 3.36Å; E1345-Q1349 PolarHBondContact O-N 2.88Å
1346I83.6Confident81.2Confident1 Ų155.4 Ų55.41%0.00529%0.286CS..Hα-helixtrans-65.9-44.7177.9-63.5-62.1000112W1211 V1215 F1306 L1309 I1310 K1342 A1343 H1348 Q1349 Y1350W1211-I1346 HydrophobicContact CH2-CD1 3.94Å; W1211-I1346 HydrophobicContact CH2-CG1 3.61Å; W1211-I1346 HydrophobicContact CZ2-CD1 3.57Å; W1211-I1346 HydrophobicContact CZ2-CG1 3.61Å; V1215-I1346 HydrophobicContact CG2-CD1 3.94Å; F1306-I1346 HydrophobicContact CD1-CG2 4.1Å; L1309-I1346 HydrophobicContact CD2-CD1 3.76Å; L1309-I1346 HydrophobicContact CD2-CG1 3.84Å; L1309-I1346 HydrophobicContact CG-CG1 4.38Å; I1310-I1346 HydrophobicContact CD1-CG2 3.89Å; I1310-I1346 HydrophobicContact CG1-CB 4.15Å; I1310-I1346 HydrophobicContact CG1-CG2 3.89Å; K1342-I1346 PolarHBondContact O-N 3.5Å; A1343-I1346 PolarHBondContact O-N 3.46Å; I1346-H1348 PolarHBondContact O-N 3.2Å; I1346-Q1349 PolarHBondContact O-N 3.33Å; I1346-Y1350 HydrophobicContact CD1-CD2 4Å; I1346-Y1350 HydrophobicContact CD1-CE2 4Å; I1346-Y1350 HydrophobicContact CG2-CD2 4.16Å; I1346-Y1350 PolarHBondContact O-N 3.02Å
1347L81.5Confident81.1Confident4 Ų459.2 Ų59.22%0.02131%0.306CS..Hα-helixtrans-60.5-31.9177.4-75.8165.3000112.6I1310 A1343 L1344 S1351 V1359 I1363 Y1374I1310-L1347 HydrophobicContact CD1-CD2 3.58Å; I1310-L1347 HydrophobicContact CD1-CG 3.71Å; I1310-L1347 HydrophobicContact CG1-CG 4.25Å; A1343-L1347 WeakPolarHBondContact O-CG 3.26Å; A1343-L1347 PolarHBondContact O-N 2.89Å; L1344-L1347 HydrophobicContact CD2-CD1 4.45Å; L1344-L1347 PolarHBondContact O-N 3.47Å; L1347-S1351 WeakPolarHBondContact O-CA 3.4Å; L1347-S1351 VanDerWaalsContact O-CB 3.3Å; L1347-S1351 WeakPolarHBondContact O-CB 3.44Å; L1347-V1359 HydrophobicContact CD1-CG1 4.49Å; L1347-V1359 HydrophobicContact CD2-CG1 3.69Å; L1347-V1359 HydrophobicContact CD2-CG2 3.95Å; L1347-I1363 HydrophobicContact CD1-CD1 3.54Å; L1347-Y1374 HydrophobicContact CB-CD2 4.29Å; L1347-Y1374 HydrophobicContact CB-CG 4.41Å; L1347-Y1374 HydrophobicContact CD2-CD1 4.36Å; L1347-Y1374 HydrophobicContact CD2-CD2 3.81Å; L1347-Y1374 HydrophobicContact CD2-CE1 4.39Å; L1347-Y1374 HydrophobicContact CD2-CE2 3.85Å; L1347-Y1374 HydrophobicContact CD2-CG 4.08Å; L1347-Y1374 WeakPolarHBondContact O-CD2 3.47Å
1348H82.5Confident81Confident112 Ų11257.5 Ų57.552%0.51929%0.29SS..Hα-helixtrans-77.3-44175.6-167.728000112.4L1344 E1345 I1346L1344-H1348 WeakPolarHBondContact O-CB 3.41Å; L1344-H1348 PolarHBondContact O-N 3.01Å; E1345-H1348 PolarHBondContact O-N 2.78Å; I1346-H1348 PolarHBondContact O-N 3.2Å
1349Q83.2Confident80.7Confident127 Ų12754 Ų5459%0.59327%0.267SS*.Hα-helixtrans-76.7-37.4-174.4-173175.35.400113.7E1345 I1346E1345-Q1349 WeakPolarHBondContact O-CB 3.36Å; E1345-Q1349 PolarHBondContact O-N 2.88Å; I1346-Q1349 PolarHBondContact O-N 3.33Å
1350Y81.8Confident80.3Confident34 Ų3456.8 Ų56.813%0.13328%0.283CS..THydrogen-bonded Turntrans-11629.7-173.4-59.2-78.9000112.3V1215 I1219 F1306 I1346 T1352 L1353V1215-Y1350 HydrophobicContact CG1-CE2 4.23Å; I1219-Y1350 HydrophobicContact CG1-CE1 4.49Å; F1306-Y1350 HydrophobicContact CD1-CD2 4.14Å; F1306-Y1350 HydrophobicContact CD1-CG 4.09Å; F1306-Y1350 AromaticContact CE1-CD1 3.91Å; F1306-Y1350 HydrophobicContact CE1-CD1 3.91Å; F1306-Y1350 AromaticContact CE1-CD2 3.83Å; F1306-Y1350 HydrophobicContact CE1-CD2 3.83Å; F1306-Y1350 HydrophobicContact CE1-CE1 4.1Å; F1306-Y1350 HydrophobicContact CE1-CE2 4.02Å; F1306-Y1350 AromaticContact CE1-CG 3.77Å; F1306-Y1350 HydrophobicContact CE1-CG 3.77Å; F1306-Y1350 AromaticContact CZ-CD1 3.9Å; F1306-Y1350 HydrophobicContact CZ-CD1 3.9Å; F1306-Y1350 HydrophobicContact CZ-CE1 4.06Å; F1306-Y1350 HydrophobicContact CZ-CG 4.2Å; I1346-Y1350 HydrophobicContact CD1-CD2 4Å; I1346-Y1350 HydrophobicContact CD1-CE2 4Å; I1346-Y1350 HydrophobicContact CG2-CD2 4.16Å; I1346-Y1350 PolarHBondContact O-N 3.02Å; Y1350-T1352 PolarHBondContact O-N 2.96Å; Y1350-L1353 HydrophobicContact CD1-CD1 3.83Å; Y1350-L1353 PolarHBondContact O-N 3.5Å
1351S74Confident80.1Confident12 Ų1263.4 Ų63.48%0.08430%0.301CS..THydrogen-bonded Turntrans-51.8-24.9-172.4590000116.3L1347 Y1374 N1377L1347-S1351 WeakPolarHBondContact O-CA 3.4Å; L1347-S1351 VanDerWaalsContact O-CB 3.3Å; L1347-S1351 WeakPolarHBondContact O-CB 3.44Å; S1351-Y1374 WeakPolarHBondContact O-CE2 3.47Å; S1351-N1377 WeakPolarHBondContact OG-CB 3.16Å; S1351-N1377 PolarHBondContact OG-ND2 3.39Å
1352T75.4Confident79.5Confident88 Ų8857 Ų5754%0.5427%0.274SS..THydrogen-bonded Turntrans-86.7-16.6178.552.20000114.2Y1350Y1350-T1352 PolarHBondContact O-N 2.96Å
1353L77Confident78.8Confident47 Ų4755.3 Ų55.325%0.24627%0.268CS..SBendtrans-99.85.5-171.7-46.8-172.5000113.4Y1222 F1306 Y1350Y1222-L1353 HydrophobicContact CD1-CD1 4.22Å; Y1222-L1353 HydrophobicContact CE1-CB 4.41Å; Y1222-L1353 HydrophobicContact CE1-CD1 4.01Å; Y1222-L1353 HydrophobicContact CE1-CD2 3.85Å; Y1222-L1353 HydrophobicContact CE1-CG 4.3Å; Y1222-L1353 HydrophobicContact CE2-CB 4.05Å; F1306-L1353 HydrophobicContact CD2-CB 4.14Å; F1306-L1353 HydrophobicContact CD2-CD1 4.21Å; F1306-L1353 HydrophobicContact CE2-CB 4.49Å; F1306-L1353 HydrophobicContact CE2-CD1 3.72Å; F1306-L1353 HydrophobicContact CZ-CD1 4.28Å; Y1350-L1353 HydrophobicContact CD1-CD1 3.83Å; Y1350-L1353 PolarHBondContact O-N 3.5Å
1354V77Confident77.8Confident7 Ų760.5 Ų60.54%0.04230%0.301CS..SBendtrans-129.3121.8-172.8-159.60000110.6F1306 F1307 I1310 P1356 V1359 Y1374F1306-V1354 HydrophobicContact CB-CG2 3.77Å; F1307-V1354 HydrophobicContact CB-CG1 3.74Å; F1307-V1354 HydrophobicContact CD2-CG1 4.4Å; I1310-V1354 HydrophobicContact CD1-CG1 3.92Å; I1310-V1354 HydrophobicContact CD1-CG2 4.19Å; V1354-P1356 WeakPolarHBondContact O-CD 3.4Å; V1354-V1359 HydrophobicContact CB-CG2 4.2Å; V1354-V1359 HydrophobicContact CG1-CG2 3.39Å; V1354-Y1374 PolarHBondContact O-OH 3.15Å
1355D76.8Confident76.9Confident53 Ų5363.4 Ų63.428%0.28332%0.321SS..  trans-58.7117.1-179.2177.8-7.3000111.8I1357 K1358 V1359D1355-I1357 VanDerWaalsContact C-N 3.27Å; D1355-I1357 PolarHBondContact O-N 2.84Å; D1355-I1357 VanDerWaalsContact OD1-CB 3.32Å; D1355-I1357 WeakPolarHBondContact OD1-CB 3.38Å; D1355-I1357 PolarHBondContact OD1-N 3.5Å; D1355-K1358 HydrophobicContact CB-CB 4.21Å; D1355-K1358 HydrophobicContact CB-CD 3.9Å; D1355-K1358 HydrophobicContact CB-CG 4.07Å; D1355-K1358 PolarHBondContact O-N 2.75Å; D1355-K1358 WeakPolarHBondContact OD2-CE 3.5Å; D1355-K1358 WeakPolarHBondContact OD2-CG 3.33Å; D1355-K1358 IonicContact OD2-NZ 3.12Å; D1355-V1359 WeakPolarHBondContact O-CG2 3.4Å; D1355-V1359 PolarHBondContact O-N 3.47Å
1356P75.8Confident76.1Confident19 Ų1961.1 Ų61.112%0.12331%0.313CS..Hα-helixtrans-63.4-29.5-179.325.8-34.2000113.5V1354 K1358 V1359 I1360 Y1374 M1378V1354-P1356 WeakPolarHBondContact O-CD 3.4Å; P1356-K1358 VanDerWaalsContact C-N 3.31Å; P1356-K1358 PolarHBondContact O-N 3.39Å; P1356-V1359 PolarHBondContact O-N 2.8Å; P1356-I1360 HydrophobicContact CB-CD1 4.46Å; P1356-I1360 VanDerWaalsContact O-CB 3.28Å; P1356-I1360 WeakPolarHBondContact O-CB 3.28Å; P1356-I1360 WeakPolarHBondContact O-CD1 3.43Å; P1356-I1360 WeakPolarHBondContact O-CG1 3.33Å; P1356-I1360 PolarHBondContact O-N 2.81Å; P1356-Y1374 WeakPolarHBondContact CA-OH 3.28Å; P1356-Y1374 HydrophobicContact CB-CE1 4.41Å; P1356-M1378 HydrophobicContact CB-CE 4.42Å; P1356-M1378 HydrophobicContact CB-CG 3.83Å; P1356-M1378 HydrophobicContact CB-SD 3.64Å; P1356-M1378 HydrophobicContact CG-CE 4.02Å; P1356-M1378 HydrophobicContact CG-CG 3.82Å; P1356-M1378 HydrophobicContact CG-SD 3.84Å
1357I79.9Confident75.6Confident105 Ų10564.1 Ų64.154%0.53834%0.338SS..Hα-helixtrans-67.4-37.3178.9-55.2177.3000110D1355 R1361D1355-I1357 VanDerWaalsContact C-N 3.27Å; D1355-I1357 PolarHBondContact O-N 2.84Å; D1355-I1357 VanDerWaalsContact OD1-CB 3.32Å; D1355-I1357 WeakPolarHBondContact OD1-CB 3.38Å; D1355-I1357 PolarHBondContact OD1-N 3.5Å; I1357-R1361 WeakPolarHBondContact O-CD 3.27Å; I1357-R1361 VanDerWaalsContact O-CG 3.26Å; I1357-R1361 WeakPolarHBondContact O-CG 3.44Å
1358K78.6Confident75.1Confident67 Ų6770.2 Ų70.229%0.29137%0.37SS..Hα-helixtrans-72.6-46.5175.2-65176-163.1162.10110.9D1304 F1307 D1355 P1356 I1360 R1361D1304-K1358 IonicContact OD1-NZ 2.89Å; D1304-K1358 PolarHBondContact OD1-NZ 3.24Å; D1304-K1358 IonicContact OD2-NZ 3.72Å; D1304-K1358 PolarHBondContact OD2-NZ 3.06Å; F1307-K1358 HydrophobicContact CD1-CB 4.23Å; F1307-K1358 HydrophobicContact CD1-CD 4.29Å; F1307-K1358 HydrophobicContact CD2-CB 3.82Å; F1307-K1358 HydrophobicContact CE1-CB 4.01Å; F1307-K1358 HydrophobicContact CE1-CD 4.44Å; F1307-K1358 HydrophobicContact CE2-CB 3.59Å; F1307-K1358 VanDerWaalsContact CE2-O 3.32Å; F1307-K1358 WeakPolarHBondContact CE2-O 3.22Å; F1307-K1358 HydrophobicContact CG-CB 4.13Å; F1307-K1358 HydrophobicContact CZ-CB 3.67Å; D1355-K1358 HydrophobicContact CB-CB 4.21Å; D1355-K1358 HydrophobicContact CB-CD 3.9Å; D1355-K1358 HydrophobicContact CB-CG 4.07Å; D1355-K1358 PolarHBondContact O-N 2.75Å; D1355-K1358 WeakPolarHBondContact OD2-CE 3.5Å; D1355-K1358 WeakPolarHBondContact OD2-CG 3.33Å; D1355-K1358 IonicContact OD2-NZ 3.12Å; P1356-K1358 VanDerWaalsContact C-N 3.31Å; P1356-K1358 PolarHBondContact O-N 3.39Å; K1358-I1360 PolarHBondContact O-N 3.03Å; K1358-R1361 PolarHBondContact O-N 2.95Å
1359V78Confident74.8Confident2 Ų270.1 Ų70.11%0.01238%0.382CS..Hα-helixtrans-58.3-49.2178.4170.80000112.3F1307 L1347 V1354 D1355 P1356 R1361 I1362 I1363 Y1374F1307-V1359 HydrophobicContact CD2-CG2 4.15Å; L1347-V1359 HydrophobicContact CD1-CG1 4.49Å; L1347-V1359 HydrophobicContact CD2-CG1 3.69Å; L1347-V1359 HydrophobicContact CD2-CG2 3.95Å; V1354-V1359 HydrophobicContact CB-CG2 4.2Å; V1354-V1359 HydrophobicContact CG1-CG2 3.39Å; D1355-V1359 WeakPolarHBondContact O-CG2 3.4Å; D1355-V1359 PolarHBondContact O-N 3.47Å; P1356-V1359 PolarHBondContact O-N 2.8Å; V1359-R1361 PolarHBondContact O-N 3.15Å; V1359-I1362 PolarHBondContact O-N 2.72Å; V1359-I1362 VanDerWaalsContact O-N 3.14Å; V1359-I1363 HydrophobicContact CG1-CD1 3.56Å; V1359-I1363 HydrophobicContact CG1-CG1 4.46Å; V1359-I1363 WeakPolarHBondContact O-CG1 3.31Å; V1359-I1363 PolarHBondContact O-N 3.38Å; V1359-Y1374 HydrophobicContact CB-CE1 4.23Å; V1359-Y1374 HydrophobicContact CG1-CD1 4.33Å; V1359-Y1374 HydrophobicContact CG1-CE1 3.73Å
1360I77.6Confident74.4Confident104 Ų10466.4 Ų66.453%0.53337%0.37SS..Hα-helixtrans-61.8-30.8-177.7-70.9165.8000111.8P1356 K1358 I1362 L1375P1356-I1360 HydrophobicContact CB-CD1 4.46Å; P1356-I1360 VanDerWaalsContact O-CB 3.28Å; P1356-I1360 WeakPolarHBondContact O-CB 3.28Å; P1356-I1360 WeakPolarHBondContact O-CD1 3.43Å; P1356-I1360 WeakPolarHBondContact O-CG1 3.33Å; P1356-I1360 PolarHBondContact O-N 2.81Å; K1358-I1360 PolarHBondContact O-N 3.03Å; I1360-I1362 PolarHBondContact O-N 2.86Å; I1360-L1375 HydrophobicContact CD1-CD2 4.24Å
1361R78.5Confident74.2Confident194 Ų19465.2 Ų65.273%0.73237%0.366SS*.Hα-helixtrans-70.7-26.2178-71.8170.8-176.3-156.51.5114I1357 K1358 V1359I1357-R1361 WeakPolarHBondContact O-CD 3.27Å; I1357-R1361 VanDerWaalsContact O-CG 3.26Å; I1357-R1361 WeakPolarHBondContact O-CG 3.44Å; K1358-R1361 PolarHBondContact O-N 2.95Å; V1359-R1361 PolarHBondContact O-N 3.15Å
1362I73.4Confident74.4Confident30 Ų3066.1 Ų66.115%0.15438%0.378CS..Hα-helixtrans-96.9-17-178-66-162.5000112.9F1307 Q1311 L1314 V1359 I1360 P1364F1307-I1362 HydrophobicContact CE1-CD1 4.28Å; F1307-I1362 HydrophobicContact CE2-CD1 3.81Å; F1307-I1362 HydrophobicContact CE2-CG1 4.17Å; F1307-I1362 HydrophobicContact CZ-CD1 3.35Å; F1307-I1362 HydrophobicContact CZ-CG1 3.96Å; Q1311-I1362 HydrophobicContact CB-CD1 4.15Å; Q1311-I1362 HydrophobicContact CG-CD1 3.91Å; L1314-I1362 HydrophobicContact CD1-CG2 3.74Å; V1359-I1362 PolarHBondContact O-N 2.72Å; V1359-I1362 VanDerWaalsContact O-N 3.14Å; I1360-I1362 PolarHBondContact O-N 2.86Å; I1362-P1364 VanDerWaalsContact O-CD 3.27Å; I1362-P1364 WeakPolarHBondContact O-CD 3.17Å
1363I69.8Low74.6Confident20 Ų2066.8 Ų66.810%0.10338%0.378CS..  trans-94.121.7-174.8-60-178.4000116.8L1314 L1347 V1359 T1365 V1366 V1371L1314-I1363 HydrophobicContact CD1-CG1 4.06Å; L1347-I1363 HydrophobicContact CD1-CD1 3.54Å; V1359-I1363 HydrophobicContact CG1-CD1 3.56Å; V1359-I1363 HydrophobicContact CG1-CG1 4.46Å; V1359-I1363 WeakPolarHBondContact O-CG1 3.31Å; V1359-I1363 PolarHBondContact O-N 3.38Å; I1363-T1365 PolarHBondContact O-N 3.09Å; I1363-V1366 HydrophobicContact CG2-CB 3.89Å; I1363-V1366 HydrophobicContact CG2-CG2 4.01Å; I1363-V1366 PolarHBondContact O-N 3.47Å; I1363-V1371 HydrophobicContact CG2-CG2 3.78Å
1364P62.9Low74.8Confident111 Ų11164.9 Ų64.972%0.72137%0.367SS*.THydrogen-bonded Turntrans-55.1-17.6170-27.936.1000116.4I1362I1362-P1364 VanDerWaalsContact O-CD 3.27Å; I1362-P1364 WeakPolarHBondContact O-CD 3.17Å
1365T63.3Low75Confident111 Ų11166.1 Ų66.168%0.68137%0.374SS*.THydrogen-bonded Turntrans-96.8-3.3-172.753.90000115I1363I1363-T1365 PolarHBondContact O-N 3.09Å
1366V68.2Low75.3Confident36 Ų3670.1 Ų70.122%0.21839%0.388CS..SBendtrans-119.2137.5-177.1-157.80000110.5L1314 L1344 I1363 L1368 S1370L1314-V1366 HydrophobicContact CD2-CG2 4.45Å; L1344-V1366 HydrophobicContact CD1-CG1 4.46Å; I1363-V1366 HydrophobicContact CG2-CB 3.89Å; I1363-V1366 HydrophobicContact CG2-CG2 4.01Å; I1363-V1366 PolarHBondContact O-N 3.47Å; V1366-L1368 PolarHBondContact O-N 3.22Å; V1366-S1370 WeakPolarHBondContact CG1-OG 3.46Å
1367A72.1Confident75.6Confident64 Ų6472.1 Ų72.153%0.52940%0.398SS..  trans-58.6128-178.200000111.7S1369 S1370A1367-S1369 PolarHBondContact O-N 3.47Å; A1367-S1370 WeakPolarHBondContact O-CB 3.26Å; A1367-S1370 PolarHBondContact O-N 3.39Å; A1367-S1370 PolarHBondContact O-OG 3.38Å
1368L71.3Confident75.7Confident132 Ų13268.2 Ų68.269%0.69138%0.378SS*.Hα-helixtrans-53.7-30.9-174.6-17168.2000113.5V1366 S1370 V1371 G1372 L1375V1366-L1368 PolarHBondContact O-N 3.22Å; L1368-S1370 PolarHBondContact O-N 2.7Å; L1368-V1371 PolarHBondContact O-N 2.94Å; L1368-G1372 PolarHBondContact O-N 3.29Å; L1368-G1372 VanDerWaalsContact O-N 3.17Å; L1368-L1375 HydrophobicContact CD1-CD1 4.21Å
1369S77.5Confident75.9Confident110 Ų11071.2 Ų71.277%0.76939%0.391SS*.Hα-helixtrans-56.4-31.817450.40000113.9A1367 V1371A1367-S1369 PolarHBondContact O-N 3.47Å; S1369-V1371 VanDerWaalsContact C-N 3.33Å
1370S74.5Confident76.2Confident49 Ų4975.8 Ų75.834%0.34341%0.414SS..Hα-helixtrans-75.1-21.5175.668.40000113.7V1366 A1367 L1368V1366-S1370 WeakPolarHBondContact CG1-OG 3.46Å; A1367-S1370 WeakPolarHBondContact O-CB 3.26Å; A1367-S1370 PolarHBondContact O-N 3.39Å; A1367-S1370 PolarHBondContact O-OG 3.38Å; L1368-S1370 PolarHBondContact O-N 2.7Å
1371V76.6Confident76.3Confident8 Ų872.5 Ų72.55%0.04840%0.401CS..Hα-helixtrans-97.3-13.1-176.2-160.40000111.7I1363 L1368 S1369 N1373 Y1374 L1375I1363-V1371 HydrophobicContact CG2-CG2 3.78Å; L1368-V1371 PolarHBondContact O-N 2.94Å; S1369-V1371 VanDerWaalsContact C-N 3.33Å; V1371-N1373 VanDerWaalsContact C-N 3.3Å; V1371-N1373 PolarHBondContact O-N 2.82Å; V1371-Y1374 HydrophobicContact CG1-CD1 4Å; V1371-Y1374 WeakPolarHBondContact O-CB 3.38Å; V1371-Y1374 PolarHBondContact O-N 3.01Å; V1371-L1375 HydrophobicContact CG1-CG 4.27Å; V1371-L1375 PolarHBondContact O-N 2.99Å
1372G78.6Confident76.3Confident32 Ų3268.2 Ų68.233%0.3339%0.389SS..Hα-helixtrans-55.3-36.6-174.800000115.1L1368 K1376L1368-G1372 PolarHBondContact O-N 3.29Å; L1368-G1372 VanDerWaalsContact O-N 3.17Å; G1372-K1376 WeakPolarHBondContact O-CB 3.32Å; G1372-K1376 PolarHBondContact O-N 3.08Å
1373N80.4Confident76.8Confident102 Ų10272.8 Ų72.855%0.54541%0.41SS..Hα-helixtrans-68.4-38175.8-78.2-6.3000112.7V1371 N1377V1371-N1373 VanDerWaalsContact C-N 3.3Å; V1371-N1373 PolarHBondContact O-N 2.82Å; N1373-N1377 PolarHBondContact O-N 2.72Å; N1373-N1377 VanDerWaalsContact O-N 3.14Å
1374Y80.9Confident77.4Confident6 Ų674.5 Ų74.52%0.02442%0.424CS..Hα-helixtrans-63.4-51.2174.4165.4-101.5000110.3L1347 S1351 V1354 P1356 V1359 V1371 K1376 N1377 M1378L1347-Y1374 HydrophobicContact CB-CD2 4.29Å; L1347-Y1374 HydrophobicContact CB-CG 4.41Å; L1347-Y1374 HydrophobicContact CD2-CD1 4.36Å; L1347-Y1374 HydrophobicContact CD2-CD2 3.81Å; L1347-Y1374 HydrophobicContact CD2-CE1 4.39Å; L1347-Y1374 HydrophobicContact CD2-CE2 3.85Å; L1347-Y1374 HydrophobicContact CD2-CG 4.08Å; L1347-Y1374 WeakPolarHBondContact O-CD2 3.47Å; S1351-Y1374 WeakPolarHBondContact O-CE2 3.47Å; V1354-Y1374 PolarHBondContact O-OH 3.15Å; P1356-Y1374 WeakPolarHBondContact CA-OH 3.28Å; P1356-Y1374 HydrophobicContact CB-CE1 4.41Å; V1359-Y1374 HydrophobicContact CB-CE1 4.23Å; V1359-Y1374 HydrophobicContact CG1-CD1 4.33Å; V1359-Y1374 HydrophobicContact CG1-CE1 3.73Å; V1371-Y1374 HydrophobicContact CG1-CD1 4Å; V1371-Y1374 WeakPolarHBondContact O-CB 3.38Å; V1371-Y1374 PolarHBondContact O-N 3.01Å; Y1374-K1376 VanDerWaalsContact C-N 3.34Å; Y1374-K1376 PolarHBondContact O-N 3.43Å; Y1374-N1377 PolarHBondContact O-N 2.89Å; Y1374-M1378 VanDerWaalsContact O-CB 3.27Å; Y1374-M1378 WeakPolarHBondContact O-CB 3.44Å; Y1374-M1378 PolarHBondContact O-N 3.42Å
1375L80.4Confident78.1Confident34 Ų3471.9 Ų71.918%0.17841%0.406CS..Hα-helixtrans-58.9-44.2179.4-66.2174.1000111.8I1360 L1368 V1371 N1377 M1378 F1379I1360-L1375 HydrophobicContact CD1-CD2 4.24Å; L1368-L1375 HydrophobicContact CD1-CD1 4.21Å; V1371-L1375 HydrophobicContact CG1-CG 4.27Å; V1371-L1375 PolarHBondContact O-N 2.99Å; L1375-N1377 PolarHBondContact O-N 3.12Å; L1375-M1378 PolarHBondContact O-N 3.35Å; L1375-F1379 HydrophobicContact CB-CD2 4.44Å; L1375-F1379 HydrophobicContact CB-CE2 4.21Å; L1375-F1379 WeakPolarHBondContact O-CD2 3.12Å; L1375-F1379 PolarHBondContact O-N 2.83Å
1376K83.5Confident79Confident136 Ų13671.8 Ų71.859%0.59140%0.401SS*.Hα-helixtrans-58.9-48.7177.4-176.1179.4178.3-177.40112.1G1372 Y1374 I1380G1372-K1376 WeakPolarHBondContact O-CB 3.32Å; G1372-K1376 PolarHBondContact O-N 3.08Å; Y1374-K1376 VanDerWaalsContact C-N 3.34Å; Y1374-K1376 PolarHBondContact O-N 3.43Å; K1376-I1380 HydrophobicContact CG-CD1 4.05Å; K1376-I1380 WeakPolarHBondContact O-CD1 3.43Å; K1376-I1380 VanDerWaalsContact O-CG1 3.3Å; K1376-I1380 WeakPolarHBondContact O-CG1 3.46Å; K1376-I1380 PolarHBondContact O-N 2.84Å
1377N81.2Confident79.8Confident62 Ų6274.7 Ų74.733%0.33242%0.415SS..Hα-helixtrans-65.4-41179-71.53.4000111.6S1351 N1373 Y1374 L1375 I1380 S1381S1351-N1377 WeakPolarHBondContact OG-CB 3.16Å; S1351-N1377 PolarHBondContact OG-ND2 3.39Å; N1373-N1377 PolarHBondContact O-N 2.72Å; N1373-N1377 VanDerWaalsContact O-N 3.14Å; Y1374-N1377 PolarHBondContact O-N 2.89Å; L1375-N1377 PolarHBondContact O-N 3.12Å; N1377-I1380 PolarHBondContact O-N 3.16Å; N1377-S1381 WeakPolarHBondContact O-CB 3.35Å; N1377-S1381 PolarHBondContact O-N 2.94Å
1378M81.7Confident80.3Confident22 Ų2277.1 Ų77.111%0.10842%0.415CS..Hα-helixtrans-64.2-42.7178.8167.2-100.9125.800112.4P1356 Y1374 L1375 S1381 Q1382P1356-M1378 HydrophobicContact CB-CE 4.42Å; P1356-M1378 HydrophobicContact CB-CG 3.83Å; P1356-M1378 HydrophobicContact CB-SD 3.64Å; P1356-M1378 HydrophobicContact CG-CE 4.02Å; P1356-M1378 HydrophobicContact CG-CG 3.82Å; P1356-M1378 HydrophobicContact CG-SD 3.84Å; Y1374-M1378 VanDerWaalsContact O-CB 3.27Å; Y1374-M1378 WeakPolarHBondContact O-CB 3.44Å; Y1374-M1378 PolarHBondContact O-N 3.42Å; L1375-M1378 PolarHBondContact O-N 3.35Å; M1378-S1381 PolarHBondContact O-N 3.47Å; M1378-Q1382 HydrophobicContact CE-CB 4.31Å; M1378-Q1382 HydrophobicContact CE-CG 3.63Å; M1378-Q1382 WeakPolarHBondContact O-CG 3.2Å; M1378-Q1382 PolarHBondContact O-N 3.34Å
1379F83.2Confident80.7Confident130 Ų13075.9 Ų75.957%0.5741%0.409SS*.Hα-helixtrans-62.9-46.5174.5-74.9-57.5000112.3L1375 S1381 Q1382 E1383L1375-F1379 HydrophobicContact CB-CD2 4.44Å; L1375-F1379 HydrophobicContact CB-CE2 4.21Å; L1375-F1379 WeakPolarHBondContact O-CD2 3.12Å; L1375-F1379 PolarHBondContact O-N 2.83Å; F1379-S1381 VanDerWaalsContact C-N 3.28Å; F1379-S1381 PolarHBondContact O-N 3.41Å; F1379-Q1382 PolarHBondContact O-N 2.88Å; F1379-E1383 PolarHBondContact O-N 3.4Å
1380I85.1Confident81.1Confident98 Ų9874.1 Ų74.150%0.50339%0.393SS..Hα-helixtrans-59.8-40.2176.7-66.6165.9000110.8K1376 N1377 S1384K1376-I1380 HydrophobicContact CG-CD1 4.05Å; K1376-I1380 WeakPolarHBondContact O-CD1 3.43Å; K1376-I1380 VanDerWaalsContact O-CG1 3.3Å; K1376-I1380 WeakPolarHBondContact O-CG1 3.46Å; K1376-I1380 PolarHBondContact O-N 2.84Å; N1377-I1380 PolarHBondContact O-N 3.16Å; I1380-S1384 WeakPolarHBondContact O-CB 3.29Å; I1380-S1384 PolarHBondContact O-N 2.84Å
1381S79Confident81.7Confident36 Ų3678.7 Ų78.725%0.25241%0.407SS..Hα-helixtrans-64.8-45.7176.7-165.90000112.2N1377 M1378 F1379 S1384 T1385N1377-S1381 WeakPolarHBondContact O-CB 3.35Å; N1377-S1381 PolarHBondContact O-N 2.94Å; M1378-S1381 PolarHBondContact O-N 3.47Å; F1379-S1381 VanDerWaalsContact C-N 3.28Å; F1379-S1381 PolarHBondContact O-N 3.41Å; S1381-S1384 WeakPolarHBondContact O-CB 3.47Å; S1381-S1384 PolarHBondContact O-N 2.85Å; S1381-T1385 PolarHBondContact O-N 3.48Å; S1381-T1385 PolarHBondContact O-OG1 3.34Å; S1381-T1385 VanDerWaalsContact O-OG1 3.05Å
1382Q79.3Confident81.9Confident103 Ų10383.3 Ų83.348%0.48143%0.431SS..Hα-helixtrans-65.8-38.5179.4-73.2-66.8-26.900112.3M1378 F1379 T1385 L1386M1378-Q1382 HydrophobicContact CE-CB 4.31Å; M1378-Q1382 HydrophobicContact CE-CG 3.63Å; M1378-Q1382 WeakPolarHBondContact O-CG 3.2Å; M1378-Q1382 PolarHBondContact O-N 3.34Å; F1379-Q1382 PolarHBondContact O-N 2.88Å; Q1382-T1385 PolarHBondContact O-N 2.93Å; Q1382-L1386 WeakPolarHBondContact O-CB 3.49Å; Q1382-L1386 PolarHBondContact O-N 3.14Å
1383E83.7Confident82.3Confident127 Ų12788.5 Ų88.559%0.59344%0.444SS*.Hα-helixtrans-62.6-42.8173.5-175.1175.4-170.800111.5F1379 L1386 N1387F1379-E1383 PolarHBondContact O-N 3.4Å; E1383-L1386 PolarHBondContact O-N 2.68Å; E1383-N1387 WeakPolarHBondContact O-CB 3.3Å; E1383-N1387 PolarHBondContact O-N 2.88Å; E1383-N1387 VanDerWaalsContact O-N 3.08Å; E1383-N1387 PolarHBondContact O-ND2 3.45Å
1384S82.7Confident82.5Confident56 Ų5688.2 Ų88.239%0.39244%0.443SS..Hα-helixtrans-60.5-47.5173.6-174.30000112.2I1380 S1381 N1387 Q1388I1380-S1384 WeakPolarHBondContact O-CB 3.29Å; I1380-S1384 PolarHBondContact O-N 2.84Å; S1381-S1384 WeakPolarHBondContact O-CB 3.47Å; S1381-S1384 PolarHBondContact O-N 2.85Å; S1384-N1387 PolarHBondContact O-N 3.26Å; S1384-Q1388 WeakPolarHBondContact O-CG 3.48Å; S1384-Q1388 PolarHBondContact O-N 3.11Å
1385T76.5Confident82.8Confident55 Ų5589.9 Ų89.934%0.33746%0.458SS..Hα-helixtrans-63.6-42.3179.1-55.60000111.9S1381 Q1382 N1387 Q1388 L1389S1381-T1385 PolarHBondContact O-N 3.48Å; S1381-T1385 PolarHBondContact O-OG1 3.34Å; S1381-T1385 VanDerWaalsContact O-OG1 3.05Å; Q1382-T1385 PolarHBondContact O-N 2.93Å; T1385-N1387 PolarHBondContact O-N 3.24Å; T1385-Q1388 PolarHBondContact O-N 2.84Å; T1385-L1389 HydrophobicContact CG2-CD1 4Å; T1385-L1389 HydrophobicContact CG2-CG 4.35Å; T1385-L1389 WeakPolarHBondContact O-CB 3.49Å; T1385-L1389 WeakPolarHBondContact O-CG 3.38Å; T1385-L1389 PolarHBondContact O-N 3.27Å
1386L83.7Confident82.9Confident110 Ų11091.3 Ų91.358%0.57647%0.474SS*.Hα-helixtrans-59.4-47.2176.6-175.871.5000111.3Q1382 E1383 Q1388 L1389 V1390Q1382-L1386 WeakPolarHBondContact O-CB 3.49Å; Q1382-L1386 PolarHBondContact O-N 3.14Å; E1383-L1386 PolarHBondContact O-N 2.68Å; L1386-Q1388 VanDerWaalsContact C-N 3.34Å; L1386-Q1388 PolarHBondContact O-N 2.94Å; L1386-L1389 PolarHBondContact O-N 3.42Å; L1386-V1390 WeakPolarHBondContact O-CG2 3.23Å; L1386-V1390 PolarHBondContact O-N 3.17Å
1387N84.3Confident83Confident96 Ų9691 Ų9151%0.51347%0.473SS..Hα-helixtrans-63.3-39.2178.9-74.3-42.5000112.1E1383 S1384 T1385 F1391E1383-N1387 WeakPolarHBondContact O-CB 3.3Å; E1383-N1387 PolarHBondContact O-N 2.88Å; E1383-N1387 VanDerWaalsContact O-N 3.08Å; E1383-N1387 PolarHBondContact O-ND2 3.45Å; S1384-N1387 PolarHBondContact O-N 3.26Å; T1385-N1387 PolarHBondContact O-N 3.24Å; N1387-F1391 WeakPolarHBondContact O-CB 3.38Å; N1387-F1391 PolarHBondContact O-N 3.44Å
1388Q81.8Confident83.2Confident116 Ų11691.8 Ų91.854%0.54248%0.484SS..Hα-helixtrans-65.7-44.5174-73.3175.5-6.100112.5S1384 T1385 L1386 V1390 F1391 L1392S1384-Q1388 WeakPolarHBondContact O-CG 3.48Å; S1384-Q1388 PolarHBondContact O-N 3.11Å; T1385-Q1388 PolarHBondContact O-N 2.84Å; L1386-Q1388 VanDerWaalsContact C-N 3.34Å; L1386-Q1388 PolarHBondContact O-N 2.94Å; Q1388-V1390 PolarHBondContact O-N 2.8Å; Q1388-F1391 WeakPolarHBondContact O-CB 3.32Å; Q1388-F1391 PolarHBondContact O-N 3.13Å; Q1388-L1392 WeakPolarHBondContact O-CB 3.34Å; Q1388-L1392 WeakPolarHBondContact O-CG 3.2Å; Q1388-L1392 PolarHBondContact O-N 3.26Å
1389L79.2Confident83.3Confident106 Ų10696.5 Ų96.556%0.55551%0.506SS*.Hα-helixtrans-65-38.1177.8-72172.9000112.3T1385 L1386 K1393T1385-L1389 HydrophobicContact CG2-CD1 4Å; T1385-L1389 HydrophobicContact CG2-CG 4.35Å; T1385-L1389 WeakPolarHBondContact O-CB 3.49Å; T1385-L1389 WeakPolarHBondContact O-CG 3.38Å; T1385-L1389 PolarHBondContact O-N 3.27Å; L1386-L1389 PolarHBondContact O-N 3.42Å; L1389-K1393 WeakPolarHBondContact O-CB 3.5Å; L1389-K1393 PolarHBondContact O-N 3.09Å
1390V86.3Confident83.4Confident73 Ų7395.8 Ų95.844%0.44251%0.507SS..Hα-helixtrans-64.8-42.5173.5170.50000111L1386 Q1388 N1394L1386-V1390 WeakPolarHBondContact O-CG2 3.23Å; L1386-V1390 PolarHBondContact O-N 3.17Å; Q1388-V1390 PolarHBondContact O-N 2.8Å; V1390-N1394 WeakPolarHBondContact O-CB 3.21Å; V1390-N1394 VanDerWaalsContact O-CG 3.22Å; V1390-N1394 PolarHBondContact O-N 3.08Å; V1390-N1394 VanDerWaalsContact O-N 3.15Å; V1390-N1394 PolarHBondContact O-ND2 2.74Å
1391F86.9Confident83.4Confident145 Ų14596.6 Ų96.664%0.63651%0.511SS*.Hα-helixtrans-60.5-52.7174.3173.5-97.1000111.9N1387 Q1388 K1393 N1394 A1395N1387-F1391 WeakPolarHBondContact O-CB 3.38Å; N1387-F1391 PolarHBondContact O-N 3.44Å; Q1388-F1391 WeakPolarHBondContact O-CB 3.32Å; Q1388-F1391 PolarHBondContact O-N 3.13Å; F1391-K1393 PolarHBondContact O-N 3.37Å; F1391-N1394 PolarHBondContact O-N 3.05Å; F1391-N1394 VanDerWaalsContact O-N 3.14Å; F1391-A1395 WeakPolarHBondContact O-CB 3.42Å; F1391-A1395 PolarHBondContact O-N 3.03Å
1392L82.6Confident83.7Confident105 Ų10596.6 Ų96.655%0.5551%0.513SS..Hα-helixtrans-60.8-43-179.2-71.3170.4000112.2Q1388 N1394 A1395 A1396Q1388-L1392 WeakPolarHBondContact O-CB 3.34Å; Q1388-L1392 WeakPolarHBondContact O-CG 3.2Å; Q1388-L1392 PolarHBondContact O-N 3.26Å; L1392-N1394 VanDerWaalsContact C-N 3.28Å; L1392-N1394 PolarHBondContact O-N 3.24Å; L1392-A1395 PolarHBondContact O-N 3.31Å; L1392-A1396 WeakPolarHBondContact O-CB 3.5Å; L1392-A1396 PolarHBondContact O-N 2.74Å
1393K85Confident83.6Confident140 Ų14094.8 Ų94.861%0.60951%0.512SS*.Hα-helixtrans-60.4-36.3175.7-178.9174.9-177.6172.60112.8L1389 F1391 K1397L1389-K1393 WeakPolarHBondContact O-CB 3.5Å; L1389-K1393 PolarHBondContact O-N 3.09Å; F1391-K1393 PolarHBondContact O-N 3.37Å; K1393-K1397 WeakPolarHBondContact O-CG 3.38Å; K1393-K1397 PolarHBondContact O-N 3.13Å
1394N85.9Confident83.5Confident96 Ų9691.2 Ų91.251%0.51350%0.501SS..Hα-helixtrans-78.3-38.4177.6-69.2-20.4000111.7V1390 F1391 L1392 K1397 S1398V1390-N1394 WeakPolarHBondContact O-CB 3.21Å; V1390-N1394 VanDerWaalsContact O-CG 3.22Å; V1390-N1394 PolarHBondContact O-N 3.08Å; V1390-N1394 VanDerWaalsContact O-N 3.15Å; V1390-N1394 PolarHBondContact O-ND2 2.74Å; F1391-N1394 PolarHBondContact O-N 3.05Å; F1391-N1394 VanDerWaalsContact O-N 3.14Å; L1392-N1394 VanDerWaalsContact C-N 3.28Å; L1392-N1394 PolarHBondContact O-N 3.24Å; N1394-K1397 PolarHBondContact O-N 2.64Å; N1394-S1398 PolarHBondContact O-N 3.37Å
1395A87.1Confident83.6Confident41 Ų4191.7 Ų91.734%0.33950%0.501SS..Hα-helixtrans-62.1-49.7174.100000111.8F1391 L1392 K1397 S1398 E1399F1391-A1395 WeakPolarHBondContact O-CB 3.42Å; F1391-A1395 PolarHBondContact O-N 3.03Å; L1392-A1395 PolarHBondContact O-N 3.31Å; A1395-K1397 VanDerWaalsContact C-N 3.3Å; A1395-K1397 PolarHBondContact O-N 3.37Å; A1395-S1398 WeakPolarHBondContact O-CA 3.4Å; A1395-S1398 WeakPolarHBondContact O-CB 3.34Å; A1395-S1398 PolarHBondContact O-N 2.88Å; A1395-E1399 PolarHBondContact O-N 2.88Å
1396A82.3Confident83.8Confident64 Ų6493 Ų9353%0.52951%0.506SS..Hα-helixtrans-60.3-37.817800000112.7L1392 E1399 L1400L1392-A1396 WeakPolarHBondContact O-CB 3.5Å; L1392-A1396 PolarHBondContact O-N 2.74Å; A1396-E1399 PolarHBondContact O-N 3.22Å; A1396-L1400 WeakPolarHBondContact O-CB 3.49Å; A1396-L1400 PolarHBondContact O-N 3.41Å
1397K85.3Confident83.5Confident129 Ų12995.1 Ų95.156%0.56151%0.506SS*.Hα-helixtrans-63.9-40.6171.6-81.3-174.6170.6-162.40112.7K1393 N1394 A1395 I1401K1393-K1397 WeakPolarHBondContact O-CG 3.38Å; K1393-K1397 PolarHBondContact O-N 3.13Å; N1394-K1397 PolarHBondContact O-N 2.64Å; A1395-K1397 VanDerWaalsContact C-N 3.3Å; A1395-K1397 PolarHBondContact O-N 3.37Å; K1397-I1401 WeakPolarHBondContact O-CD1 3.5Å; K1397-I1401 VanDerWaalsContact O-CG1 3.27Å; K1397-I1401 WeakPolarHBondContact O-CG1 3.45Å; K1397-I1401 PolarHBondContact O-N 3.04Å
1398S86.1Confident83.3Confident79 Ų7994.9 Ų94.955%0.55250%0.504SS*.Hα-helixtrans-63.9-43.7176.4-166.70000111.4N1394 A1395 I1401 A1402N1394-S1398 PolarHBondContact O-N 3.37Å; A1395-S1398 WeakPolarHBondContact O-CA 3.4Å; A1395-S1398 WeakPolarHBondContact O-CB 3.34Å; A1395-S1398 PolarHBondContact O-N 2.88Å; S1398-I1401 PolarHBondContact O-N 2.85Å; S1398-A1402 PolarHBondContact O-N 3.43Å
1399E84.1Confident83.1Confident122 Ų12295.3 Ų95.357%0.5750%0.504SS*.Hα-helixtrans-67-40.2-178.8-164.857.4-144.500112.4A1395 A1396 I1401 A1402 S1403A1395-E1399 PolarHBondContact O-N 2.88Å; A1396-E1399 PolarHBondContact O-N 3.22Å; E1399-I1401 VanDerWaalsContact C-N 3.31Å; E1399-I1401 PolarHBondContact O-N 3.3Å; E1399-A1402 PolarHBondContact O-N 3.4Å; E1399-S1403 WeakPolarHBondContact O-CB 3.43Å; E1399-S1403 PolarHBondContact O-N 3.24Å; E1399-S1403 PolarHBondContact O-OG 2.96Å
1400L84.2Confident82.7Confident115 Ų11594.9 Ų94.960%0.60251%0.505SS*.Hα-helixtrans-61.7-38.8173.5-179.462.2000112.1A1396 C1404A1396-L1400 WeakPolarHBondContact O-CB 3.49Å; A1396-L1400 PolarHBondContact O-N 3.41Å; L1400-C1404 VanDerWaalsContact O-CB 3.27Å; L1400-C1404 WeakPolarHBondContact O-CB 3.28Å; L1400-C1404 PolarHBondContact O-N 3.18Å; L1400-C1404 PolarHBondContact O-SG 2.82Å; L1400-C1404 VanDerWaalsContact O-SG 3.36Å
1401I85.7Confident82.1Confident115 Ų11595.9 Ų95.959%0.5951%0.512SS*.Hα-helixtrans-68.9-43.1176.4-68.5166.1000110.5K1397 S1398 E1399 C1404 T1405K1397-I1401 WeakPolarHBondContact O-CD1 3.5Å; K1397-I1401 VanDerWaalsContact O-CG1 3.27Å; K1397-I1401 WeakPolarHBondContact O-CG1 3.45Å; K1397-I1401 PolarHBondContact O-N 3.04Å; S1398-I1401 PolarHBondContact O-N 2.85Å; E1399-I1401 VanDerWaalsContact C-N 3.31Å; E1399-I1401 PolarHBondContact O-N 3.3Å; I1401-C1404 PolarHBondContact O-N 2.74Å; I1401-T1405 WeakPolarHBondContact O-CG2 3.44Å; I1401-T1405 PolarHBondContact O-N 2.93Å; I1401-T1405 PolarHBondContact O-OG1 2.86Å
1402A85.6Confident81.6Confident35 Ų3594.9 Ų94.929%0.28951%0.513SS..Hα-helixtrans-57.9-56.8174.900000111.2S1398 E1399 C1404 T1405 D1406S1398-A1402 PolarHBondContact O-N 3.43Å; E1399-A1402 PolarHBondContact O-N 3.4Å; A1402-C1404 VanDerWaalsContact C-N 3.31Å; A1402-C1404 PolarHBondContact O-N 3.38Å; A1402-T1405 PolarHBondContact O-N 3.32Å; A1402-T1405 PolarHBondContact O-OG1 3.32Å; A1402-D1406 PolarHBondContact O-N 3.12Å
1403S77.4Confident80.9Confident66 Ų6694.6 Ų94.646%0.46251%0.512SS..Hα-helixtrans-55.9-40.7177.9-74.10000113.1E1399 R1407E1399-S1403 WeakPolarHBondContact O-CB 3.43Å; E1399-S1403 PolarHBondContact O-N 3.24Å; E1399-S1403 PolarHBondContact O-OG 2.96Å; S1403-R1407 WeakPolarHBondContact O-CB 3.22Å; S1403-R1407 PolarHBondContact O-N 3.49Å
1404C81.7Confident80.2Confident52 Ų5297.2 Ų97.235%0.35153%0.526SS..Hα-helixtrans-63-42.7174-83.90000112.7L1400 I1401 A1402 I1408L1400-C1404 VanDerWaalsContact O-CB 3.27Å; L1400-C1404 WeakPolarHBondContact O-CB 3.28Å; L1400-C1404 PolarHBondContact O-N 3.18Å; L1400-C1404 PolarHBondContact O-SG 2.82Å; L1400-C1404 VanDerWaalsContact O-SG 3.36Å; I1401-C1404 PolarHBondContact O-N 2.74Å; A1402-C1404 VanDerWaalsContact C-N 3.31Å; A1402-C1404 PolarHBondContact O-N 3.38Å; C1404-I1408 WeakPolarHBondContact O-CD1 3.49Å; C1404-I1408 WeakPolarHBondContact O-CG1 3.44Å; C1404-I1408 PolarHBondContact O-N 3.08Å
1405T84.4Confident79.4Confident66 Ų6696.4 Ų96.441%0.40552%0.522SS..Hα-helixtrans-71.3-34.4178.459.70000113.2I1401 A1402 I1408 K1409I1401-T1405 WeakPolarHBondContact O-CG2 3.44Å; I1401-T1405 PolarHBondContact O-N 2.93Å; I1401-T1405 PolarHBondContact O-OG1 2.86Å; A1402-T1405 PolarHBondContact O-N 3.32Å; A1402-T1405 PolarHBondContact O-OG1 3.32Å; T1405-I1408 PolarHBondContact O-N 3.06Å; T1405-K1409 WeakPolarHBondContact O-CG 3.27Å; T1405-K1409 PolarHBondContact O-N 3Å
1406D79.6Confident78.9Confident81 Ų8199.4 Ų99.443%0.43354%0.54SS..Hα-helixtrans-72.1-38175.8-77.7-26.8000112.5A1402 I1408 K1409 V1410A1402-D1406 PolarHBondContact O-N 3.12Å; D1406-I1408 VanDerWaalsContact C-N 3.27Å; D1406-I1408 PolarHBondContact O-N 3.12Å; D1406-K1409 WeakPolarHBondContact O-CB 3.45Å; D1406-K1409 PolarHBondContact O-N 3.21Å; D1406-K1409 VanDerWaalsContact O-N 3.12Å; D1406-K1409 WeakPolarHBondContact OD1-CD 3.33Å; D1406-K1409 WeakPolarHBondContact OD1-CE 3.43Å; D1406-K1409 IonicContact OD1-NZ 3.54Å; D1406-K1409 PolarHBondContact OD1-NZ 2.72Å; D1406-V1410 WeakPolarHBondContact O-CG2 3.38Å; D1406-V1410 PolarHBondContact O-N 3.16Å
1407R77.5Confident78.5Confident156 Ų15699.2 Ų99.259%0.58953%0.53SS*.Hα-helixtrans-54-45171.7-174.2175.666.486.4-2.7111.6S1403 K1409 V1410 T1411S1403-R1407 WeakPolarHBondContact O-CB 3.22Å; S1403-R1407 PolarHBondContact O-N 3.49Å; R1407-K1409 PolarHBondContact O-N 3.33Å; R1407-V1410 PolarHBondContact O-N 3.29Å; R1407-T1411 WeakPolarHBondContact O-CG2 3.41Å; R1407-T1411 PolarHBondContact O-N 3.1Å; R1407-T1411 PolarHBondContact O-OG1 3.1Å; R1407-T1411 VanDerWaalsContact O-OG1 3.08Å
1408I80Confident78.2Confident91 Ų9198.2 Ų98.247%0.46753%0.53SS..Hα-helixtrans-63.1-40.7178.8-67.3165.8000111.7C1404 T1405 D1406 T1411C1404-I1408 WeakPolarHBondContact O-CD1 3.49Å; C1404-I1408 WeakPolarHBondContact O-CG1 3.44Å; C1404-I1408 PolarHBondContact O-N 3.08Å; T1405-I1408 PolarHBondContact O-N 3.06Å; D1406-I1408 VanDerWaalsContact C-N 3.27Å; D1406-I1408 PolarHBondContact O-N 3.12Å; I1408-T1411 WeakPolarHBondContact CA-OG1 3.34Å; I1408-T1411 PolarHBondContact O-OG1 3.34Å; I1408-T1411 VanDerWaalsContact O-OG1 3.08Å
1409K78.7Confident77.8Confident125 Ų12599.3 Ų99.354%0.54354%0.535SS..Hα-helixtrans-61.9-43.6176-65167.7-157.3165.30111.5T1405 D1406 R1407 N1413T1405-K1409 WeakPolarHBondContact O-CG 3.27Å; T1405-K1409 PolarHBondContact O-N 3Å; D1406-K1409 WeakPolarHBondContact O-CB 3.45Å; D1406-K1409 PolarHBondContact O-N 3.21Å; D1406-K1409 VanDerWaalsContact O-N 3.12Å; D1406-K1409 WeakPolarHBondContact OD1-CD 3.33Å; D1406-K1409 WeakPolarHBondContact OD1-CE 3.43Å; D1406-K1409 IonicContact OD1-NZ 3.54Å; D1406-K1409 PolarHBondContact OD1-NZ 2.72Å; R1407-K1409 PolarHBondContact O-N 3.33Å; K1409-N1413 PolarHBondContact O-ND2 3.46Å
1410V70.9Confident77.6Confident96 Ų9697.1 Ų97.158%0.58253%0.533SS*.Hα-helixtrans-68.2-42.8-178.1175.90000111.4D1406 R1407 N1412 N1413D1406-V1410 WeakPolarHBondContact O-CG2 3.38Å; D1406-V1410 PolarHBondContact O-N 3.16Å; R1407-V1410 PolarHBondContact O-N 3.29Å; V1410-N1412 VanDerWaalsContact C-N 3.27Å; V1410-N1412 PolarHBondContact O-N 2.96Å; V1410-N1413 PolarHBondContact O-N 3.36Å; V1410-N1413 PolarHBondContact O-ND2 3.17Å; V1410-N1413 VanDerWaalsContact O-ND2 3.14Å
1411T72.7Confident77.5Confident94 Ų9493.3 Ų93.358%0.57752%0.515SS*.Hα-helixtrans-66.8-19.3-176.2470000115.3R1407 I1408 N1413R1407-T1411 WeakPolarHBondContact O-CG2 3.41Å; R1407-T1411 PolarHBondContact O-N 3.1Å; R1407-T1411 PolarHBondContact O-OG1 3.1Å; R1407-T1411 VanDerWaalsContact O-OG1 3.08Å; I1408-T1411 WeakPolarHBondContact CA-OG1 3.34Å; I1408-T1411 PolarHBondContact O-OG1 3.34Å; I1408-T1411 VanDerWaalsContact O-OG1 3.08Å; T1411-N1413 VanDerWaalsContact C-N 3.25Å; T1411-N1413 PolarHBondContact O-N 3.33Å
1412N76.3Confident77.6Confident125 Ų12595.3 Ų95.367%0.66852%0.515SS*.THydrogen-bonded Turntrans-792.2-178.8-84.6-6.1000114.8V1410V1410-N1412 VanDerWaalsContact C-N 3.27Å; V1410-N1412 PolarHBondContact O-N 2.96Å
1413N68.3Low77.7Confident98 Ų9893.7 Ų93.752%0.52450%0.501SS..  trans-93.2107.4-178-67.7-71.2000112.6K1409 V1410 T1411K1409-N1413 PolarHBondContact O-ND2 3.46Å; V1410-N1413 PolarHBondContact O-N 3.36Å; V1410-N1413 PolarHBondContact O-ND2 3.17Å; V1410-N1413 VanDerWaalsContact O-ND2 3.14Å; T1411-N1413 VanDerWaalsContact C-N 3.25Å; T1411-N1413 PolarHBondContact O-N 3.33Å
1414H69.8Low78.1Confident196 Ų19695.8 Ų95.891%0.90750%0.499SS*.  trans-74.2147.2169-73.5-82.3000112.2
1415L70.1Confident78.2Confident79 Ų7996.3 Ų96.341%0.41450%0.498SS..  trans-140.1133.8-179.7-168.1151.2000110.2I1417 L1444L1415-I1417 HydrophobicContact CD2-CG1 4.43Å; L1415-L1444 HydrophobicContact CD2-CD1 3.99Å; L1415-L1444 HydrophobicContact CD2-CD2 4.42Å
1416S75.8Confident78.4Confident104 Ų10495.3 Ų95.373%0.72749%0.493SS*.  trans-99.2118.9-175.256.40000112.6
1417I75.4Confident78.6Confident60 Ų6099.8 Ų99.831%0.30850%0.504SS..  trans-88.3113.2178.8-59177.6000109.9L1415 F1435 L1444L1415-I1417 HydrophobicContact CD2-CG1 4.43Å; I1417-F1435 HydrophobicContact CD1-CD1 3.76Å; I1417-F1435 HydrophobicContact CD1-CE1 3.39Å; I1417-F1435 HydrophobicContact CD1-CE2 4.33Å; I1417-F1435 HydrophobicContact CD1-CG 4.39Å; I1417-F1435 HydrophobicContact CD1-CZ 3.72Å; I1417-L1444 HydrophobicContact CD1-CD1 4.34Å; I1417-L1444 HydrophobicContact CG1-CD1 4.11Å
1418L78.6Confident79Confident107 Ų107101.3 Ų101.356%0.5651%0.51SS*.  trans-79.6153.9174-70.8159.5000111.5S1420 T1421L1418-S1420 PolarHBondContact O-N 3.21Å; L1418-T1421 WeakPolarHBondContact CA-OG1 3.4Å; L1418-T1421 PolarHBondContact N-OG1 3.17Å; L1418-T1421 WeakPolarHBondContact O-CB 3.06Å; L1418-T1421 PolarHBondContact O-N 3.2Å; L1418-T1421 PolarHBondContact O-OG1 2.98Å
1419P76.5Confident79.3Confident103 Ų103105 Ų10567%0.66952%0.518SS*.THydrogen-bonded Turntrans-59.6-13.2174-24.634.7000115.1R1429P1419-R1429 VanDerWaalsContact O-CD 3.23Å; P1419-R1429 WeakPolarHBondContact O-CD 3.37Å; P1419-R1429 PolarHBondContact O-NE 2.97Å; P1419-R1429 PolarHBondContact O-NH1 3.15Å
1420S80.2Confident79.7Confident76 Ų7699.2 Ų99.253%0.53149%0.493SS..THydrogen-bonded Turntrans-91.4-14.2175.350.90000114.2L1418 R1422L1418-S1420 PolarHBondContact O-N 3.21Å; S1420-R1422 PolarHBondContact O-N 3.41Å
1421T83.3Confident80.1Confident35 Ų3596.6 Ų96.622%0.21549%0.485CS..  trans-66.8129.7-173.1-39.10000110.9L1418 R1429 I1430 L1444L1418-T1421 WeakPolarHBondContact CA-OG1 3.4Å; L1418-T1421 PolarHBondContact N-OG1 3.17Å; L1418-T1421 WeakPolarHBondContact O-CB 3.06Å; L1418-T1421 PolarHBondContact O-N 3.2Å; L1418-T1421 PolarHBondContact O-OG1 2.98Å; T1421-R1429 CarbonylContact O-C 3.53Å; T1421-R1429 VanDerWaalsContact O-CA 3.27Å; T1421-R1429 WeakPolarHBondContact O-CA 3.44Å; T1421-I1430 PolarHBondContact O-N 3.19Å; T1421-L1444 HydrophobicContact CG2-CD1 4.05Å
1422R86.5Confident80.7Confident156 Ų156100.5 Ų100.559%0.58950%0.502SS*.BIsolated β-bridgetrans-120144.7-174.3-69166.2-177.5-116.815.5111.5S1420 R1424 R1427 R1428S1420-R1422 PolarHBondContact O-N 3.41Å; R1422-R1424 PolarHBondContact O-N 2.8Å; R1422-R1427 WeakPolarHBondContact CD-O 3.28Å; R1422-R1427 WeakPolarHBondContact CG-O 3.18Å; R1422-R1427 PolarHBondContact NH1-O 2.7Å; R1422-R1428 CarbonylContact C-O 3.59Å; R1422-R1428 WeakPolarHBondContact CA-O 3.49Å; R1422-R1428 WeakPolarHBondContact CB-O 3.47Å
1423C88.9Confident81Confident1 Ų197.4 Ų97.41%0.00749%0.491CS..  trans-62.1128.9169.71660000110.3I1425 C1426 R1427 R1428 I1430 L1444 H1446C1423-I1425 VanDerWaalsContact C-N 3.32Å; C1423-I1425 PolarHBondContact O-N 3.24Å; C1423-I1425 PolarHBondContact SG-N 2.76Å; C1423-C1426 PolarHBondContact SG-N 2.92Å; C1423-C1426 VanDerWaalsContact SG-SG 3.7Å; C1423-R1427 WeakPolarHBondContact O-CA 3.46Å; C1423-R1427 PolarHBondContact O-N 3.48Å; C1423-R1428 PolarHBondContact N-O 2.96Å; C1423-I1430 HydrophobicContact CB-CG1 4.15Å; C1423-L1444 WeakPolarHBondContact CA-O 3.47Å; C1423-H1446 HydrophobicContact CB-CB 4.41Å; C1423-H1446 WeakPolarHBondContact CB-CE1 3.37Å; C1423-H1446 VanDerWaalsContact CB-ND1 3.35Å; C1423-H1446 WeakPolarHBondContact CB-ND1 3.47Å; C1423-H1446 PolarHBondContact SG-CE1 2.94Å; C1423-H1446 PolarHBondContact SG-N 3.03Å
1424R85.5Confident81.8Confident110 Ų11095.3 Ų95.342%0.41549%0.487SS..THydrogen-bonded Turntrans-50.1-49.3176.3-172.1-162.8-167.4-161.1-4.6112.7R1422 R1427 E1443 L1444 E1445R1422-R1424 PolarHBondContact O-N 2.8Å; R1424-R1427 PolarHBondContact O-NE 2.89Å; R1424-E1443 HydrophobicContact CB-CB 4.42Å; R1424-E1443 VanDerWaalsContact CD-OE2 3.24Å; R1424-E1443 WeakPolarHBondContact CD-OE2 3.43Å; R1424-E1443 HydrophobicContact CG-CB 4.49Å; R1424-E1443 IonicContact CZ-OE2 3.5Å; R1424-E1443 IonicContact NE-OE2 2.87Å; R1424-E1443 PolarHBondContact NE-OE2 3.4Å; R1424-E1443 IonicContact NH2-OE2 3.4Å; R1424-L1444 PolarHBondContact N-O 2.77Å; R1424-E1445 HydrophobicContact CB-CG 3.85Å; R1424-E1445 VanDerWaalsContact CD-OE1 3.29Å; R1424-E1445 WeakPolarHBondContact CD-OE1 3.36Å; R1424-E1445 IonicContact NH1-OE1 3.96Å
1425I83.8Confident82.6Confident64 Ų6490.7 Ų90.733%0.32846%0.464SS..THydrogen-bonded Turntrans-70.6-57.6-173.3-62.1167.4000111.7C1423 E1445 C1449 L1453C1423-I1425 VanDerWaalsContact C-N 3.32Å; C1423-I1425 PolarHBondContact O-N 3.24Å; C1423-I1425 PolarHBondContact SG-N 2.76Å; I1425-E1445 HydrophobicContact CD1-CB 4.23Å; I1425-E1445 HydrophobicContact CD1-CG 3.87Å; I1425-E1445 HydrophobicContact CG1-CG 3.98Å; I1425-E1445 WeakPolarHBondContact CG1-OE1 3.38Å; I1425-C1449 HydrophobicContact CB-CB 3.99Å; I1425-C1449 HydrophobicContact CD1-CB 3.8Å; I1425-C1449 WeakPolarHBondContact CD1-O 3.21Å; I1425-C1449 HydrophobicContact CG1-CB 4.49Å; I1425-C1449 HydrophobicContact CG2-CB 4.05Å; I1425-L1453 HydrophobicContact CD1-CB 4.21Å; I1425-L1453 HydrophobicContact CD1-CD1 3.65Å; I1425-L1453 HydrophobicContact CG1-CD1 3.91Å; I1425-L1453 HydrophobicContact CG2-CD1 4.49Å
1426C88Confident83.3Confident45 Ų4589 Ų8930%0.30446%0.457SS..THydrogen-bonded Turntrans-98.4-1-171.775.10000114.9C1423 R1428 H1446C1423-C1426 PolarHBondContact SG-N 2.92Å; C1423-C1426 VanDerWaalsContact SG-SG 3.7Å; C1426-R1428 PolarHBondContact O-N 3.17Å; C1426-H1446 PolarHBondContact SG-CE1 3.28Å; C1426-H1446 PolarHBondContact SG-ND1 3.18Å
1427R84.1Confident83.6Confident175 Ų17588.2 Ų88.266%0.6644%0.438SS*.  trans56.44.2178.1-55.7-65.7-172.7145.34.6116.5R1422 C1423 R1424R1422-R1427 WeakPolarHBondContact CD-O 3.28Å; R1422-R1427 WeakPolarHBondContact CG-O 3.18Å; R1422-R1427 PolarHBondContact NH1-O 2.7Å; C1423-R1427 WeakPolarHBondContact O-CA 3.46Å; C1423-R1427 PolarHBondContact O-N 3.48Å; R1424-R1427 PolarHBondContact O-NE 2.89Å
1428R84.9Confident83.5Confident188 Ų18887.1 Ų87.171%0.70943%0.432SS*.SBendtrans-74.9155.2169.5-62.5-178.5-179.3-177.3-0.5110.3R1422 C1423 C1426 H1446R1422-R1428 CarbonylContact C-O 3.59Å; R1422-R1428 WeakPolarHBondContact CA-O 3.49Å; R1422-R1428 WeakPolarHBondContact CB-O 3.47Å; C1423-R1428 PolarHBondContact N-O 2.96Å; C1426-R1428 PolarHBondContact O-N 3.17Å; R1428-H1446 VanDerWaalsContact CB-NE2 3.32Å; R1428-H1446 WeakPolarHBondContact CB-NE2 3.47Å
1429R86.8Confident83.1Confident168 Ų16887.6 Ų87.663%0.63444%0.442SS*.BIsolated β-bridgetrans-60.8146.8172.6-66.8176.2-178.7-167.24.6110.2P1419 T1421 H1446P1419-R1429 VanDerWaalsContact O-CD 3.23Å; P1419-R1429 WeakPolarHBondContact O-CD 3.37Å; P1419-R1429 PolarHBondContact O-NE 2.97Å; P1419-R1429 PolarHBondContact O-NH1 3.15Å; T1421-R1429 CarbonylContact O-C 3.53Å; T1421-R1429 VanDerWaalsContact O-CA 3.27Å; T1421-R1429 WeakPolarHBondContact O-CA 3.44Å; R1429-H1446 PolarHBondContact O-NE2 2.85Å
1430I87.4Confident83Confident4 Ų489.3 Ų89.32%0.02145%0.45CS..  trans-79.8-50.3175.8-63.3-178.6000111.2T1421 C1423 N1432 S1433 F1435 L1444T1421-I1430 PolarHBondContact O-N 3.19Å; C1423-I1430 HydrophobicContact CB-CG1 4.15Å; I1430-N1432 PolarHBondContact O-N 3.46Å; I1430-N1432 VanDerWaalsContact O-N 3.15Å; I1430-S1433 WeakPolarHBondContact CG2-O 3.34Å; I1430-S1433 VanDerWaalsContact O-CB 3.31Å; I1430-S1433 WeakPolarHBondContact O-CB 3.4Å; I1430-S1433 PolarHBondContact O-N 2.91Å; I1430-S1433 PolarHBondContact O-OG 2.86Å; I1430-F1435 HydrophobicContact CD1-CB 4.39Å; I1430-F1435 HydrophobicContact CG2-CB 4.13Å; I1430-F1435 HydrophobicContact CG2-CD1 4.35Å; I1430-L1444 HydrophobicContact CD1-CB 3.34Å; I1430-L1444 HydrophobicContact CD1-CD1 4.05Å; I1430-L1444 HydrophobicContact CD1-CG 4.36Å
1431G80.1Confident82.8Confident40 Ų4088 Ų8841%0.41244%0.441SS..THydrogen-bonded Turntrans56.2-121-177.500000110.9
1432N84Confident82.4Confident176 Ų17690.1 Ų90.194%0.94145%0.451SS*.THydrogen-bonded Turntrans-97.58.3-180-61.321.2000113.2I1430I1430-N1432 PolarHBondContact O-N 3.46Å; I1430-N1432 VanDerWaalsContact O-N 3.15Å
1433S82.7Confident82.2Confident61 Ų6186.6 Ų86.643%0.42744%0.441SS..SBendtrans-72.7140.3178.9-610000111.9I1430 F1435 H1446I1430-S1433 WeakPolarHBondContact CG2-O 3.34Å; I1430-S1433 VanDerWaalsContact O-CB 3.31Å; I1430-S1433 WeakPolarHBondContact O-CB 3.4Å; I1430-S1433 PolarHBondContact O-N 2.91Å; I1430-S1433 PolarHBondContact O-OG 2.86Å; S1433-F1435 PolarHBondContact O-N 3.49Å; S1433-H1446 VanDerWaalsContact CB-CD2 3.48Å; S1433-H1446 WeakPolarHBondContact CB-CD2 3.42Å
1434A85.7Confident82.1Confident54 Ų5487.1 Ų87.145%0.44644%0.444SS..  trans-54138.7172.600000111.3Y1447A1434-Y1447 HydrophobicContact CB-CG 4.45Å; A1434-Y1447 WeakPolarHBondContact O-CB 3.31Å; A1434-Y1447 PolarHBondContact O-N 2.96Å
1435F86.3Confident82.2Confident98 Ų9882 Ų8243%0.4343%0.425SS..EExtended strand (participates in β ladder)trans-139.5156.3-170.764.8-89.3000112.3I1417 I1430 S1433 L1444 E1445I1417-F1435 HydrophobicContact CD1-CD1 3.76Å; I1417-F1435 HydrophobicContact CD1-CE1 3.39Å; I1417-F1435 HydrophobicContact CD1-CE2 4.33Å; I1417-F1435 HydrophobicContact CD1-CG 4.39Å; I1417-F1435 HydrophobicContact CD1-CZ 3.72Å; I1430-F1435 HydrophobicContact CD1-CB 4.39Å; I1430-F1435 HydrophobicContact CG2-CB 4.13Å; I1430-F1435 HydrophobicContact CG2-CD1 4.35Å; S1433-F1435 PolarHBondContact O-N 3.49Å; F1435-L1444 HydrophobicContact CD2-CD1 4.46Å; F1435-L1444 HydrophobicContact CD2-CD2 4.04Å; F1435-L1444 HydrophobicContact CE2-CD2 4.39Å; F1435-E1445 CarbonylContact C-O 3.55Å; F1435-E1445 WeakPolarHBondContact CA-O 3.44Å; F1435-E1445 WeakPolarHBondContact CB-O 3.48Å
1436V84.6Confident82.5Confident45 Ų4580.3 Ų80.327%0.27342%0.415SS..EExtended strand (participates in β ladder)trans-119.2131.9173.2175.20000107.7E1445 Y1447 C1450V1436-E1445 PolarHBondContact N-O 3.38Å; V1436-E1445 PolarHBondContact O-N 3.19Å; V1436-Y1447 HydrophobicContact CG2-CD2 4.01Å; V1436-C1450 HydrophobicContact CB-CB 4.46Å; V1436-C1450 HydrophobicContact CG2-CB 4.32Å
1437R82.3Confident82.6Confident86 Ų8679.4 Ų79.433%0.32541%0.406SS..EExtended strand (participates in β ladder)trans-90.8123.6171.2176.1-173.2177.8-174.74.8108.4D1442 L1444R1437-D1442 IonicContact CZ-OD1 3.99Å; R1437-D1442 IonicContact CZ-OD2 2.71Å; R1437-D1442 IonicContact NE-OD1 3.51Å; R1437-D1442 PolarHBondContact NE-OD1 3.49Å; R1437-D1442 IonicContact NE-OD2 3.82Å; R1437-D1442 IonicContact NH2-OD1 3.6Å; R1437-D1442 PolarHBondContact NH2-OD1 3.01Å; R1437-D1442 IonicContact NH2-OD2 3.39Å; R1437-D1442 PolarHBondContact NH2-OD2 3.16Å; R1437-L1444 HydrophobicContact CB-CD2 3.9Å; R1437-L1444 HydrophobicContact CG-CD2 4.26Å
1438Q74.3Confident82.6Confident38 Ų3872.9 Ų72.918%0.17839%0.393CS..  trans-76124.1174.1-84.4172.9-12.200110.6T1440 S1441 D1442 E1443 E1445Q1438-T1440 PolarHBondContact O-N 3.46Å; Q1438-T1440 VanDerWaalsContact O-N 3.07Å; Q1438-S1441 VanDerWaalsContact CB-OG 3.3Å; Q1438-S1441 WeakPolarHBondContact CB-OG 2.82Å; Q1438-S1441 PolarHBondContact O-N 3.32Å; Q1438-S1441 PolarHBondContact OE1-OG 3.19Å; Q1438-D1442 PolarHBondContact O-N 2.83Å; Q1438-E1443 PolarHBondContact N-O 3.25Å; Q1438-E1443 VanDerWaalsContact N-O 3.09Å; Q1438-E1445 PolarHBondContact NE2-OE1 3.42Å; Q1438-E1445 PolarHBondContact NE2-OE2 2.76Å
1439P69.9Low82.6Confident117 Ų11765.1 Ų65.176%0.7637%0.367SS*.THydrogen-bonded Turntrans-69.7-8.9-171.228.2-36.2000114.4
1440T72.8Confident82.5Confident138 Ų13858 Ų5885%0.84734%0.343SS*.THydrogen-bonded Turntrans-108.1-14.9-178.850.80000114.4Q1438Q1438-T1440 PolarHBondContact O-N 3.46Å; Q1438-T1440 VanDerWaalsContact O-N 3.07Å
1441S76Confident82.2Confident50 Ų5060.3 Ų60.335%0.3535%0.354SS..THydrogen-bonded Turntrans-127.7-13.6-174.962.10000114.4Q1438 E1443Q1438-S1441 VanDerWaalsContact CB-OG 3.3Å; Q1438-S1441 WeakPolarHBondContact CB-OG 2.82Å; Q1438-S1441 PolarHBondContact O-N 3.32Å; Q1438-S1441 PolarHBondContact OE1-OG 3.19Å; S1441-E1443 PolarHBondContact O-N 3.2Å; S1441-E1443 PolarHBondContact OG-N 3.23Å
1442D76.3Confident82Confident79 Ų7962.6 Ų62.642%0.42236%0.356SS..  trans555.9-167.5-95.920.5000115.4R1437 Q1438R1437-D1442 IonicContact CZ-OD1 3.99Å; R1437-D1442 IonicContact CZ-OD2 2.71Å; R1437-D1442 IonicContact NE-OD1 3.51Å; R1437-D1442 PolarHBondContact NE-OD1 3.49Å; R1437-D1442 IonicContact NE-OD2 3.82Å; R1437-D1442 IonicContact NH2-OD1 3.6Å; R1437-D1442 PolarHBondContact NH2-OD1 3.01Å; R1437-D1442 IonicContact NH2-OD2 3.39Å; R1437-D1442 PolarHBondContact NH2-OD2 3.16Å; Q1438-D1442 PolarHBondContact O-N 2.83Å
1443E82.1Confident81.6Confident82 Ų8257.5 Ų57.538%0.38333%0.329SS..  trans-68137.6172.9-65.7-170.6112.100110.1R1424 Q1438 S1441R1424-E1443 HydrophobicContact CB-CB 4.42Å; R1424-E1443 VanDerWaalsContact CD-OE2 3.24Å; R1424-E1443 WeakPolarHBondContact CD-OE2 3.43Å; R1424-E1443 HydrophobicContact CG-CB 4.49Å; R1424-E1443 IonicContact CZ-OE2 3.5Å; R1424-E1443 IonicContact NE-OE2 2.87Å; R1424-E1443 PolarHBondContact NE-OE2 3.4Å; R1424-E1443 IonicContact NH2-OE2 3.4Å; Q1438-E1443 PolarHBondContact N-O 3.25Å; Q1438-E1443 VanDerWaalsContact N-O 3.09Å; S1441-E1443 PolarHBondContact O-N 3.2Å; S1441-E1443 PolarHBondContact OG-N 3.23Å
1444L87.6Confident81.2Confident11 Ų1157.3 Ų57.36%0.05832%0.322CS..EExtended strand (participates in β ladder)trans-92.4131.4176.4-56.3-175.5000110.2L1415 I1417 T1421 C1423 R1424 I1430 F1435 R1437L1415-L1444 HydrophobicContact CD2-CD1 3.99Å; L1415-L1444 HydrophobicContact CD2-CD2 4.42Å; I1417-L1444 HydrophobicContact CD1-CD1 4.34Å; I1417-L1444 HydrophobicContact CG1-CD1 4.11Å; T1421-L1444 HydrophobicContact CG2-CD1 4.05Å; C1423-L1444 WeakPolarHBondContact CA-O 3.47Å; R1424-L1444 PolarHBondContact N-O 2.77Å; I1430-L1444 HydrophobicContact CD1-CB 3.34Å; I1430-L1444 HydrophobicContact CD1-CD1 4.05Å; I1430-L1444 HydrophobicContact CD1-CG 4.36Å; F1435-L1444 HydrophobicContact CD2-CD1 4.46Å; F1435-L1444 HydrophobicContact CD2-CD2 4.04Å; F1435-L1444 HydrophobicContact CE2-CD2 4.39Å; R1437-L1444 HydrophobicContact CB-CD2 3.9Å; R1437-L1444 HydrophobicContact CG-CD2 4.26Å
1445E87.4Confident80.2Confident3 Ų363.7 Ų63.71%0.01434%0.335CS..EExtended strand (participates in β ladder)trans-112.4145.6171.3-72.4179.2167.500109.3R1424 I1425 F1435 V1436 Q1438 Y1447 C1450R1424-E1445 HydrophobicContact CB-CG 3.85Å; R1424-E1445 VanDerWaalsContact CD-OE1 3.29Å; R1424-E1445 WeakPolarHBondContact CD-OE1 3.36Å; R1424-E1445 IonicContact NH1-OE1 3.96Å; I1425-E1445 HydrophobicContact CD1-CB 4.23Å; I1425-E1445 HydrophobicContact CD1-CG 3.87Å; I1425-E1445 HydrophobicContact CG1-CG 3.98Å; I1425-E1445 WeakPolarHBondContact CG1-OE1 3.38Å; F1435-E1445 CarbonylContact C-O 3.55Å; F1435-E1445 WeakPolarHBondContact CA-O 3.44Å; F1435-E1445 WeakPolarHBondContact CB-O 3.48Å; V1436-E1445 PolarHBondContact N-O 3.38Å; V1436-E1445 PolarHBondContact O-N 3.19Å; Q1438-E1445 PolarHBondContact NE2-OE1 3.42Å; Q1438-E1445 PolarHBondContact NE2-OE2 2.76Å; E1445-Y1447 PolarHBondContact O-N 2.99Å; E1445-C1450 HydrophobicContact CB-CB 4.35Å; E1445-C1450 PolarHBondContact OE2-SG 3.45Å; E1445-C1450 VanDerWaalsContact OE2-SG 3.41Å
1446H90.1Very high79.2Confident28 Ų2867.2 Ų67.213%0.1335%0.35CS..EExtended strand (participates in β ladder)trans-60.8135.2164-74.8135.5000108.9C1423 C1426 R1428 R1429 S1433 G1448 C1449 C1450C1423-H1446 HydrophobicContact CB-CB 4.41Å; C1423-H1446 WeakPolarHBondContact CB-CE1 3.37Å; C1423-H1446 VanDerWaalsContact CB-ND1 3.35Å; C1423-H1446 WeakPolarHBondContact CB-ND1 3.47Å; C1423-H1446 PolarHBondContact SG-CE1 2.94Å; C1423-H1446 PolarHBondContact SG-N 3.03Å; C1426-H1446 PolarHBondContact SG-CE1 3.28Å; C1426-H1446 PolarHBondContact SG-ND1 3.18Å; R1428-H1446 VanDerWaalsContact CB-NE2 3.32Å; R1428-H1446 WeakPolarHBondContact CB-NE2 3.47Å; R1429-H1446 PolarHBondContact O-NE2 2.85Å; S1433-H1446 VanDerWaalsContact CB-CD2 3.48Å; S1433-H1446 WeakPolarHBondContact CB-CD2 3.42Å; H1446-G1448 VanDerWaalsContact C-N 3.31Å; H1446-G1448 PolarHBondContact O-N 3.2Å; H1446-C1449 HydrophobicContact CB-CB 3.97Å; H1446-C1449 PolarHBondContact CE1-SG 2.66Å; H1446-C1449 WeakPolarHBondContact O-CA 3.46Å; H1446-C1449 WeakPolarHBondContact O-CB 3.23Å; H1446-C1449 PolarHBondContact O-N 3.13Å; H1446-C1450 PolarHBondContact O-N 3.48Å
1447Y88.7Confident77.7Confident27 Ų2775.3 Ų75.311%0.10638%0.381CS..Hα-helixtrans-51.3-49.8179.9163.7-98.3000111.5D1253 G1254 S1255 A1434 V1436 E1445 C1449 C1450 Q1451D1253-Y1447 HydrophobicContact CB-CE1 4.23Å; G1254-Y1447 VanDerWaalsContact CA-CZ 3.47Å; G1254-Y1447 WeakPolarHBondContact CA-OH 3.33Å; S1255-Y1447 PolarHBondContact N-OH 3.05Å; S1255-Y1447 WeakPolarHBondContact O-CE2 3.49Å; S1255-Y1447 PolarHBondContact OG-OH 3.45Å; A1434-Y1447 HydrophobicContact CB-CG 4.45Å; A1434-Y1447 WeakPolarHBondContact O-CB 3.31Å; A1434-Y1447 PolarHBondContact O-N 2.96Å; V1436-Y1447 HydrophobicContact CG2-CD2 4.01Å; E1445-Y1447 PolarHBondContact O-N 2.99Å; Y1447-C1449 PolarHBondContact O-N 3.33Å; Y1447-C1450 WeakPolarHBondContact O-CB 3.24Å; Y1447-C1450 PolarHBondContact O-N 3.15Å; Y1447-Q1451 PolarHBondContact O-N 3.1Å; Y1447-Q1451 PolarHBondContact OH-NE2 3.33Å; Y1447-Q1451 PolarHBondContact OH-OE1 2.86Å
1448G85Confident77.4Confident37 Ų3774.8 Ų74.838%0.38138%0.384SS..Hα-helixtrans-63.6-33.7175.500000114.5H1446 Q1451 D1452H1446-G1448 VanDerWaalsContact C-N 3.31Å; H1446-G1448 PolarHBondContact O-N 3.2Å; G1448-Q1451 PolarHBondContact O-N 3.14Å; G1448-D1452 WeakPolarHBondContact O-CB 3.19Å; G1448-D1452 PolarHBondContact O-N 2.97Å
1449C85.6Confident77.6Confident25 Ų2576.7 Ų76.717%0.16940%0.395CS..Hα-helixtrans-69.8-36.7174.5-66.90000111.9I1425 H1446 Y1447 L1453I1425-C1449 HydrophobicContact CB-CB 3.99Å; I1425-C1449 HydrophobicContact CD1-CB 3.8Å; I1425-C1449 WeakPolarHBondContact CD1-O 3.21Å; I1425-C1449 HydrophobicContact CG1-CB 4.49Å; I1425-C1449 HydrophobicContact CG2-CB 4.05Å; H1446-C1449 HydrophobicContact CB-CB 3.97Å; H1446-C1449 PolarHBondContact CE1-SG 2.66Å; H1446-C1449 WeakPolarHBondContact O-CA 3.46Å; H1446-C1449 WeakPolarHBondContact O-CB 3.23Å; H1446-C1449 PolarHBondContact O-N 3.13Å; Y1447-C1449 PolarHBondContact O-N 3.33Å; C1449-L1453 WeakPolarHBondContact O-CB 3.34Å; C1449-L1453 PolarHBondContact O-N 2.81Å; C1449-L1453 VanDerWaalsContact O-N 3.09Å
1450C83.5Confident78Confident20 Ų2074.4 Ų74.414%0.13538%0.375CS..Hα-helixtrans-64.3-45.7173.2-163.80000110.2V1436 E1445 H1446 Y1447 D1452 L1453 I1454V1436-C1450 HydrophobicContact CB-CB 4.46Å; V1436-C1450 HydrophobicContact CG2-CB 4.32Å; E1445-C1450 HydrophobicContact CB-CB 4.35Å; E1445-C1450 PolarHBondContact OE2-SG 3.45Å; E1445-C1450 VanDerWaalsContact OE2-SG 3.41Å; H1446-C1450 PolarHBondContact O-N 3.48Å; Y1447-C1450 WeakPolarHBondContact O-CB 3.24Å; Y1447-C1450 PolarHBondContact O-N 3.15Å; C1450-D1452 PolarHBondContact O-N 3.37Å; C1450-L1453 CarbonylContact O-C 3.6Å; C1450-L1453 PolarHBondContact O-N 3.09Å; C1450-I1454 WeakPolarHBondContact O-CD1 3.29Å; C1450-I1454 VanDerWaalsContact O-CG1 3.31Å; C1450-I1454 WeakPolarHBondContact O-CG1 3.08Å; C1450-I1454 PolarHBondContact O-N 3.42Å
1451Q80.4Confident78.4Confident52 Ų5270.7 Ų70.724%0.24335%0.347CS..Hα-helixtrans-62.7-39.2177.7-165.2174.627.900112.9S1255 Y1447 G1448 L1453 I1454 R1455S1255-Q1451 WeakPolarHBondContact OG-CG 3.22Å; S1255-Q1451 PolarHBondContact OG-NE2 3.47Å; Y1447-Q1451 PolarHBondContact O-N 3.1Å; Y1447-Q1451 PolarHBondContact OH-NE2 3.33Å; Y1447-Q1451 PolarHBondContact OH-OE1 2.86Å; G1448-Q1451 PolarHBondContact O-N 3.14Å; Q1451-L1453 VanDerWaalsContact C-N 3.31Å; Q1451-L1453 PolarHBondContact O-N 3.06Å; Q1451-I1454 PolarHBondContact O-N 3.3Å; Q1451-R1455 WeakPolarHBondContact O-CB 3.43Å; Q1451-R1455 WeakPolarHBondContact O-CG 3.12Å; Q1451-R1455 PolarHBondContact O-N 3.38Å
1452D76.5Confident78.5Confident87 Ų8772 Ų7247%0.46535%0.347SS..Hα-helixtrans-64.6-32.6171.4-91.1-9.7000113.1G1448 C1450 K1456G1448-D1452 WeakPolarHBondContact O-CB 3.19Å; G1448-D1452 PolarHBondContact O-N 2.97Å; C1450-D1452 PolarHBondContact O-N 3.37Å; D1452-K1456 WeakPolarHBondContact O-CB 3.16Å; D1452-K1456 WeakPolarHBondContact O-CD 3.32Å; D1452-K1456 VanDerWaalsContact O-CG 3.26Å; D1452-K1456 WeakPolarHBondContact O-CG 3.27Å; D1452-K1456 PolarHBondContact O-N 3.21Å
1453L76.2Confident78.6Confident70 Ų7071.5 Ų71.537%0.36634%0.342SS..Hα-helixtrans-79.7-29.7178.5-156.2149.4000111.4I1425 C1449 C1450 Q1451 K1457I1425-L1453 HydrophobicContact CD1-CB 4.21Å; I1425-L1453 HydrophobicContact CD1-CD1 3.65Å; I1425-L1453 HydrophobicContact CG1-CD1 3.91Å; I1425-L1453 HydrophobicContact CG2-CD1 4.49Å; C1449-L1453 WeakPolarHBondContact O-CB 3.34Å; C1449-L1453 PolarHBondContact O-N 2.81Å; C1449-L1453 VanDerWaalsContact O-N 3.09Å; C1450-L1453 CarbonylContact O-C 3.6Å; C1450-L1453 PolarHBondContact O-N 3.09Å; Q1451-L1453 VanDerWaalsContact C-N 3.31Å; Q1451-L1453 PolarHBondContact O-N 3.06Å; L1453-K1457 HydrophobicContact CD2-CD 4.27Å; L1453-K1457 WeakPolarHBondContact O-CG 3.46Å; L1453-K1457 PolarHBondContact O-N 3.33Å
1454I73.5Confident78.4Confident56 Ų5670.8 Ų70.829%0.28734%0.339SS..Hα-helixtrans-69.9-39.9168.9-66.7157.6000110.9C1450 Q1451 K1456 K1457C1450-I1454 WeakPolarHBondContact O-CD1 3.29Å; C1450-I1454 VanDerWaalsContact O-CG1 3.31Å; C1450-I1454 WeakPolarHBondContact O-CG1 3.08Å; C1450-I1454 PolarHBondContact O-N 3.42Å; Q1451-I1454 PolarHBondContact O-N 3.3Å; I1454-K1456 PolarHBondContact O-N 3.18Å; I1454-K1457 PolarHBondContact O-N 2.97Å
1455R65.7Low77.7Confident188 Ų18875.4 Ų75.471%0.70936%0.361SS*.THydrogen-bonded Turntrans-72.7-8.4175.6-79.4179.1166.8171.7-3.3115Q1451Q1451-R1455 WeakPolarHBondContact O-CB 3.43Å; Q1451-R1455 WeakPolarHBondContact O-CG 3.12Å; Q1451-R1455 PolarHBondContact O-N 3.38Å
1456K64.5Low76.9Confident173 Ų17381.4 Ų81.475%0.75239%0.39SS*.THydrogen-bonded Turntrans-106.62.3175.5-74.3171.6-177.1166.50113D1452 I1454D1452-K1456 WeakPolarHBondContact O-CB 3.16Å; D1452-K1456 WeakPolarHBondContact O-CD 3.32Å; D1452-K1456 VanDerWaalsContact O-CG 3.26Å; D1452-K1456 WeakPolarHBondContact O-CG 3.27Å; D1452-K1456 PolarHBondContact O-N 3.21Å; I1454-K1456 PolarHBondContact O-N 3.18Å
1457K53Low75.7Confident214 Ų21486.3 Ų86.393%0.9341%0.413SS*.  trans-106.10171.6-80.1-178.8172-176.40110.2L1453 I1454L1453-K1457 HydrophobicContact CD2-CD 4.27Å; L1453-K1457 WeakPolarHBondContact O-CG 3.46Å; L1453-K1457 PolarHBondContact O-N 3.33Å; I1454-K1457 PolarHBondContact O-N 2.97Å

Retrieved 1,457 of 1,457 residues in 589.9 ms (Link to these results)

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