A0A077Z3N7_TRITR Loading...

X-ray repair cross-complementing protein 5

AlphaFold DB , UniProt , Accession A0A077Z3N7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 602 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
1M38Very low76.6Confident244 Ų24457.2 Ų57.2100%1.20232%0.317SS*.  0-130-66.8-65.7-131.400114.4
2S45.4Very low77.8Confident83 Ų8352.4 Ų52.458%0.5829%0.291SS*.  trans-109.218.8-174.4-176.20000115.1N4S2-N4 VanDerWaalsContact C-N 3.28Å; S2-N4 PolarHBondContact O-N 2.98Å
3C53Low78.7Confident103 Ų10348.5 Ų48.570%0.69627%0.269SS*.THydrogen-bonded Turntrans-74.7-9.4-164.4590000115.8A129C3-A129 WeakPolarHBondContact O-CB 3.42Å
4N72.9Confident79.3Confident130 Ų13045.1 Ų45.170%0.69525%0.25SC*.THydrogen-bonded Turntrans-122.224.1-174.3-72.17.4000114.2S2S2-N4 VanDerWaalsContact C-N 3.28Å; S2-N4 PolarHBondContact O-N 2.98Å
5K83.4Confident79.6Confident35 Ų3542.1 Ų42.115%0.15223%0.233CC..PPolyproline II helixtrans-74.6128.4178.8-169.2-178.2-179.8-177.20111S49 E51 F128 A129K5-S49 WeakPolarHBondContact CE-O 3.2Å; K5-S49 WeakPolarHBondContact CG-O 3.4Å; K5-E51 VanDerWaalsContact NZ-CD 3.31Å; K5-E51 IonicContact NZ-OE1 2.64Å; K5-E51 PolarHBondContact NZ-OE1 3.16Å; K5-F128 HydrophobicContact CB-CD1 4.37Å; K5-F128 HydrophobicContact CD-CD1 4.01Å; K5-F128 HydrophobicContact CD-CE1 3.87Å; K5-F128 HydrophobicContact CG-CD1 3.88Å; K5-F128 HydrophobicContact CG-CE1 4.08Å; K5-F128 CarbonylContact O-C 3.57Å; K5-F128 WeakPolarHBondContact O-CA 3.34Å; K5-A129 WeakPolarHBondContact O-CB 3.06Å; K5-A129 PolarHBondContact O-N 3.36Å
6E88Confident79.8Confident30 Ų3042.8 Ų42.814%0.1424%0.24CC..EExtended strand (participates in β ladder)trans-100.3138.9178.3-163.8-176.5-176.900111I8 R43 D50 E51 Q130 S132E6-I8 HydrophobicContact CB-CD1 4.37Å; E6-I8 HydrophobicContact CB-CG1 4.26Å; E6-I8 HydrophobicContact CG-CD1 4.01Å; E6-I8 HydrophobicContact CG-CG1 3.64Å; E6-I8 WeakPolarHBondContact OE2-CD1 3.3Å; E6-R43 IonicContact OE2-CZ 3.33Å; E6-R43 IonicContact OE2-NH1 3.92Å; E6-R43 IonicContact OE2-NH2 3.15Å; E6-R43 PolarHBondContact OE2-NH2 2.97Å; E6-D50 HydrophobicContact CB-CB 4.22Å; E6-D50 PolarHBondContact N-OD1 3.03Å; E6-D50 WeakPolarHBondContact O-CA 3.42Å; E6-E51 PolarHBondContact O-N 3.15Å; E6-Q130 HydrophobicContact CG-CB 4.06Å; E6-S132 WeakPolarHBondContact OE1-CB 3.48Å
7A90.2Very high79.8Confident0 Ų041.2 Ų41.20%023%0.233CC..EExtended strand (participates in β ladder)trans-103.5123.3167.500000109.1L83 L119 T123 F128 Q130 R131 S132A7-L83 HydrophobicContact CB-CD1 4.36Å; A7-L83 HydrophobicContact CB-CD2 4.22Å; A7-L119 HydrophobicContact CB-CD1 4Å; A7-T123 HydrophobicContact CB-CG2 3.99Å; A7-F128 HydrophobicContact CB-CB 4.28Å; A7-F128 HydrophobicContact CB-CD1 3.58Å; A7-F128 HydrophobicContact CB-CD2 3.93Å; A7-F128 HydrophobicContact CB-CE1 3.73Å; A7-F128 HydrophobicContact CB-CE2 4.06Å; A7-F128 HydrophobicContact CB-CG 3.67Å; A7-F128 HydrophobicContact CB-CZ 3.97Å; A7-Q130 PolarHBondContact N-O 2.72Å; A7-R131 CarbonylContact O-C 3.51Å; A7-R131 WeakPolarHBondContact O-CA 3.4Å; A7-S132 PolarHBondContact O-N 3.29Å
8I92.1Very high79.9Confident3 Ų338.9 Ų38.92%0.01522%0.22CC..EExtended strand (participates in β ladder)trans-128.1133-170.8-50.7171.9000109.3E6 I10 E51 V52 A53 S132 V134E6-I8 HydrophobicContact CB-CD1 4.37Å; E6-I8 HydrophobicContact CB-CG1 4.26Å; E6-I8 HydrophobicContact CG-CD1 4.01Å; E6-I8 HydrophobicContact CG-CG1 3.64Å; E6-I8 WeakPolarHBondContact OE2-CD1 3.3Å; I8-I10 HydrophobicContact CG2-CG1 4.3Å; I8-E51 PolarHBondContact N-O 2.86Å; I8-V52 HydrophobicContact CB-CG2 4.3Å; I8-V52 HydrophobicContact CD1-CG2 4.33Å; I8-V52 CarbonylContact O-C 3.6Å; I8-V52 VanDerWaalsContact O-CA 3.28Å; I8-V52 WeakPolarHBondContact O-CA 3.32Å; I8-A53 PolarHBondContact O-N 3.22Å; I8-S132 VanDerWaalsContact CA-O 3.3Å; I8-S132 WeakPolarHBondContact CA-O 3.49Å; I8-V134 HydrophobicContact CG2-CG2 4.04Å
9I93.1Very high80Confident0 Ų040.8 Ų40.80%022%0.223CC..EExtended strand (participates in β ladder)trans-119.9124.7168.9-171.3163.1000109.8A53 L55 A115 Y118 L119 S132 L133 V134I9-A53 WeakPolarHBondContact CA-O 3.37Å; I9-A53 HydrophobicContact CB-CB 4.26Å; I9-A53 HydrophobicContact CD1-CB 4.2Å; I9-A53 HydrophobicContact CG1-CB 3.97Å; I9-L55 HydrophobicContact CD1-CB 4.29Å; I9-L55 HydrophobicContact CG1-CB 4.3Å; I9-A115 HydrophobicContact CD1-CB 4Å; I9-A115 HydrophobicContact CG1-CB 4.49Å; I9-A115 HydrophobicContact CG2-CB 4.19Å; I9-Y118 HydrophobicContact CD1-CD1 3.78Å; I9-Y118 HydrophobicContact CD1-CE1 4.38Å; I9-L119 HydrophobicContact CG2-CD2 4.02Å; I9-S132 PolarHBondContact N-O 3.06Å; I9-L133 HydrophobicContact CG2-CB 4.42Å; I9-L133 HydrophobicContact CG2-CD1 3.3Å; I9-L133 HydrophobicContact CG2-CG 4.45Å; I9-V134 PolarHBondContact O-N 2.9Å
10I93.6Very high79.9Confident1 Ų142.8 Ų42.81%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-98.8111178.8-58.3178.4000107.2I8 V36 I39 L40 V52 A53 L54 L55 L136I8-I10 HydrophobicContact CG2-CG1 4.3Å; I10-V36 HydrophobicContact CD1-CG1 4.29Å; I10-V36 HydrophobicContact CG2-CG1 4.42Å; I10-V36 HydrophobicContact CG2-CG2 3.84Å; I10-I39 HydrophobicContact CD1-CG2 4.06Å; I10-L40 HydrophobicContact CD1-CD2 4.42Å; I10-V52 HydrophobicContact CD1-CG1 3.72Å; I10-V52 HydrophobicContact CG1-CG1 4.03Å; I10-A53 PolarHBondContact N-O 3.21Å; I10-L54 HydrophobicContact CB-CD1 4.1Å; I10-L54 HydrophobicContact CG2-CD1 4.05Å; I10-L55 PolarHBondContact O-N 2.96Å; I10-L136 HydrophobicContact CG2-CD1 3.55Å
11C92.6Very high79.4Confident0 Ų047.7 Ų47.70%026%0.258CS..EExtended strand (participates in β ladder)trans-93.7107.6173.4-57.90000108.4L55 F57 A115 V134 L135 L136C11-L55 CarbonylContact C-O 3.57Å; C11-L55 WeakPolarHBondContact CA-O 3.36Å; C11-F57 HydrophobicContact CB-CD1 4.37Å; C11-F57 HydrophobicContact CB-CE1 3.98Å; C11-A115 WeakPolarHBondContact SG-CB 3.39Å; C11-V134 PolarHBondContact N-O 2.85Å; C11-L135 HydrophobicContact CB-CD1 3.81Å; C11-L136 PolarHBondContact O-N 2.98Å
12L91.5Very high80.6Confident0 Ų040.7 Ų40.70%022%0.222CC..EExtended strand (participates in β ladder)trans-106.6125179.3179.867.5000110.6V14 A32 I33 V36 L55 L56 F57 L97 L136L12-V14 HydrophobicContact CD2-CG1 4.11Å; L12-V14 HydrophobicContact CG-CG1 4.15Å; L12-V14 PolarHBondContact O-N 3.36Å; L12-A32 HydrophobicContact CD1-CB 3.77Å; L12-I33 HydrophobicContact CD2-CD1 3.8Å; L12-V36 HydrophobicContact CD1-CG2 4.44Å; L12-L55 PolarHBondContact N-O 3.45Å; L12-L56 HydrophobicContact CB-CD2 4Å; L12-L56 HydrophobicContact CD2-CD2 4.06Å; L12-L56 HydrophobicContact CG-CD2 4.47Å; L12-L56 WeakPolarHBondContact O-CA 3.47Å; L12-F57 WeakPolarHBondContact O-CD1 3.5Å; L12-F57 PolarHBondContact O-N 3.07Å; L12-F57 VanDerWaalsContact O-N 3.1Å; L12-L97 HydrophobicContact CD2-CD1 3.74Å; L12-L136 HydrophobicContact CD1-CB 4Å
13D89.5Confident81.4Confident1 Ų146.4 Ų46.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-74116.9169.4-167.9-14.5000110.3G15 M18 F57 L136 S137D13-G15 PolarHBondContact OD1-N 3.05Å; D13-M18 HydrophobicContact CB-CE 4.42Å; D13-M18 HydrophobicContact CB-CG 3.66Å; D13-M18 HydrophobicContact CB-SD 4.23Å; D13-F57 HydrophobicContact CB-CD2 4.31Å; D13-F57 HydrophobicContact CB-CE1 4.12Å; D13-F57 HydrophobicContact CB-CE2 3.51Å; D13-F57 HydrophobicContact CB-CZ 3.41Å; D13-F57 VanDerWaalsContact CB-CZ 3.41Å; D13-L136 WeakPolarHBondContact CB-O 3.42Å; D13-L136 PolarHBondContact N-O 3.02Å; D13-S137 WeakPolarHBondContact OD2-CB 3.25Å; D13-S137 PolarHBondContact OD2-OG 2.99Å
14V86.7Confident81.7Confident1 Ų145.4 Ų45.41%0.00624%0.243CC..  trans-111.314.1175.7-54.10000112.3L12 F29 L56 F57 C102L12-V14 HydrophobicContact CD2-CG1 4.11Å; L12-V14 HydrophobicContact CG-CG1 4.15Å; L12-V14 PolarHBondContact O-N 3.36Å; V14-F29 HydrophobicContact CB-CE2 4.25Å; V14-F29 HydrophobicContact CG1-CE2 4.01Å; V14-L56 HydrophobicContact CG1-CB 4.38Å; V14-L56 HydrophobicContact CG1-CD2 4Å; V14-L56 HydrophobicContact CG2-CB 4.4Å; V14-F57 WeakPolarHBondContact CG2-O 3.33Å; V14-F57 PolarHBondContact N-O 3.35Å; V14-C102 PolarHBondContact O-SG 3.26Å
15G84.3Confident81.5Confident0 Ų041.8 Ų41.80%023%0.232CC..SBendtrans-67164.7-179.800000114.1D13 S17 M18D13-G15 PolarHBondContact OD1-N 3.05Å; G15-S17 PolarHBondContact O-N 3.3Å; G15-M18 PolarHBondContact O-N 3.17Å
16P81.9Confident81Confident53 Ų5345 Ų4534%0.34426%0.256SS..Hα-helixtrans-59.9-29.8177.922.8-33.4000113.2M18 R19 T20 G103 D105P16-M18 VanDerWaalsContact C-N 3.31Å; P16-M18 PolarHBondContact O-N 3.01Å; P16-R19 PolarHBondContact O-N 3.45Å; P16-T20 PolarHBondContact O-N 3.27Å; P16-T20 PolarHBondContact O-OG1 3.3Å; P16-G103 WeakPolarHBondContact CD-O 3.45Å; P16-D105 WeakPolarHBondContact CD-OD1 3.22Å; P16-D105 WeakPolarHBondContact CG-OD1 3.27Å
17S80.4Confident80.6Confident17 Ų1744.4 Ų44.412%0.11926%0.255CS..Hα-helixtrans-60.1-36.7176.553.80000113.5G15 R19 D105G15-S17 PolarHBondContact O-N 3.3Å; S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.19Å; S17-D105 WeakPolarHBondContact CB-OD1 3.25Å; S17-D105 PolarHBondContact N-OD1 3.08Å; S17-D105 PolarHBondContact OG-OD1 3Å
18M81Confident80.1Confident0 Ų046.6 Ų46.60%027%0.265CS..Hα-helixtrans-71.1-27.7178.1-73-69.6-76.700113.6D13 G15 P16 F28 F29 A32 C138 F193D13-M18 HydrophobicContact CB-CE 4.42Å; D13-M18 HydrophobicContact CB-CG 3.66Å; D13-M18 HydrophobicContact CB-SD 4.23Å; G15-M18 PolarHBondContact O-N 3.17Å; P16-M18 VanDerWaalsContact C-N 3.31Å; P16-M18 PolarHBondContact O-N 3.01Å; M18-F28 HydrophobicContact CE-CB 4.22Å; M18-F28 PolarHBondContact O-N 2.82Å; M18-F28 HydrophobicContact SD-CB 4.14Å; M18-F29 HydrophobicContact CB-CB 4.07Å; M18-F29 HydrophobicContact CB-CD2 4.16Å; M18-F29 VanDerWaalsContact O-CB 3.29Å; M18-F29 WeakPolarHBondContact O-CB 2.95Å; M18-F29 PolarHBondContact O-N 2.88Å; M18-A32 HydrophobicContact CE-CB 3.76Å; M18-C138 HydrophobicContact SD-CB 3.57Å; M18-C138 VanDerWaalsContact SD-CB 3.57Å; M18-C138 PolarHBondContact SD-N 2.64Å; M18-F193 HydrophobicContact CE-CZ 4.19Å
19R82Confident79.9Confident74 Ų7446.8 Ų46.828%0.27927%0.265SS..Hα-helixtrans-93.2-5.2-176.9-60.5-171.6-175.5-1548.2113.3P16 S17 E21 F29 L97 P98 T100 C102P16-R19 PolarHBondContact O-N 3.45Å; S17-R19 VanDerWaalsContact C-N 3.33Å; S17-R19 PolarHBondContact O-N 3.19Å; R19-E21 PolarHBondContact O-N 3.34Å; R19-F29 HydrophobicContact CG-CB 4.15Å; R19-F29 HydrophobicContact CG-CD1 4.41Å; R19-F29 HydrophobicContact CG-CD2 4.45Å; R19-F29 HydrophobicContact CG-CG 4.07Å; R19-L97 PolarHBondContact NH2-O 3.33Å; R19-P98 PolarHBondContact NH1-O 3.42Å; R19-T100 PolarHBondContact NH1-O 3.01Å; R19-T100 PolarHBondContact NH2-O 3.17Å; R19-C102 VanDerWaalsContact CD-SG 3.59Å; R19-C102 PolarHBondContact NE-SG 3.31Å
20T78.7Confident79.5Confident80 Ų8050.6 Ų50.649%0.49129%0.286SS..  trans-74.6126.5179.6-60.20000109.8P16 E22P16-T20 PolarHBondContact O-N 3.27Å; P16-T20 PolarHBondContact O-OG1 3.3Å; T20-E22 PolarHBondContact O-N 3.01Å
21E69.3Low79.1Confident146 Ų14651.7 Ų51.768%0.68230%0.295SS*.  trans-81.5113.9173.8-66.8-175.3172.500110.1R19R19-E21 PolarHBondContact O-N 3.34Å
22E63.7Low78.8Confident98 Ų9851.7 Ų51.746%0.45830%0.295SS..  trans-93.3124.3170-71.9-161.9158.900110.9T20 G24 A25T20-E22 PolarHBondContact O-N 3.01Å; E22-G24 VanDerWaalsContact C-N 3.28Å; E22-G24 PolarHBondContact O-N 3.03Å; E22-A25 WeakPolarHBondContact O-CB 3.44Å; E22-A25 PolarHBondContact O-N 3.18Å
23K62.1Low78.6Confident203 Ų20351.9 Ų51.988%0.88330%0.296SS*.THydrogen-bonded Turntrans47.839162.3-62.1-179.6-179.7171.30115.9A25K23-A25 VanDerWaalsContact C-N 3.31Å; K23-A25 PolarHBondContact O-N 3Å
24G59.4Low78.5Confident81 Ų8155.4 Ų55.484%0.83531%0.312SS*.THydrogen-bonded Turntrans77.99.6177.100000115.1E22E22-G24 VanDerWaalsContact C-N 3.28Å; E22-G24 PolarHBondContact O-N 3.03Å
25A67.6Low78.4Confident54 Ų5455.8 Ų55.845%0.44632%0.315SS..PPolyproline II helixtrans-85.8146.7166.100000110.3E22 K23E22-A25 WeakPolarHBondContact O-CB 3.44Å; E22-A25 PolarHBondContact O-N 3.18Å; K23-A25 VanDerWaalsContact C-N 3.31Å; K23-A25 PolarHBondContact O-N 3Å
26P73.8Confident78.7Confident102 Ų10255.8 Ų55.866%0.66232%0.315SS*.PPolyproline II helixtrans-63.1151.2175.128.7-34.8000110.3
27P78.6Confident79Confident18 Ų1855.1 Ų55.112%0.11731%0.306CS..PPolyproline II helixtrans-61.5140.2-179.426.1-33.1000110.7F29 D30P27-F29 PolarHBondContact O-N 3.36Å; P27-F29 VanDerWaalsContact O-N 3.1Å; P27-D30 HydrophobicContact CG-CB 4.42Å; P27-D30 WeakPolarHBondContact CG-OD2 3.26Å; P27-D30 PolarHBondContact O-N 2.69Å; P27-D30 VanDerWaalsContact O-N 3.07Å
28F81.2Confident79.1Confident47 Ų4760 Ų6021%0.20632%0.322CS..Hα-helixtrans-58.3-26.5177.6-70-70.6000112.2M18 D30 A31 A32 C138 P166 F193M18-F28 HydrophobicContact CE-CB 4.22Å; M18-F28 PolarHBondContact O-N 2.82Å; M18-F28 HydrophobicContact SD-CB 4.14Å; F28-D30 VanDerWaalsContact C-N 3.33Å; F28-D30 PolarHBondContact O-N 3.48Å; F28-A31 PolarHBondContact O-N 3.34Å; F28-A32 WeakPolarHBondContact O-CB 3.48Å; F28-A32 PolarHBondContact O-N 3.36Å; F28-C138 HydrophobicContact CD2-CB 4.25Å; F28-P166 HydrophobicContact CE1-CB 4.02Å; F28-P166 HydrophobicContact CZ-CB 4.07Å; F28-F193 HydrophobicContact CB-CE2 4.22Å; F28-F193 AromaticContact CD1-CD2 3.62Å; F28-F193 HydrophobicContact CD1-CD2 3.62Å; F28-F193 AromaticContact CD1-CE2 3.95Å; F28-F193 HydrophobicContact CD1-CE2 3.95Å; F28-F193 HydrophobicContact CD1-CG 4.48Å; F28-F193 HydrophobicContact CE1-CD2 4.24Å; F28-F193 HydrophobicContact CG-CD2 4.48Å; F28-F193 HydrophobicContact CG-CE2 4.4Å
29F86.2Confident79.5Confident6 Ų662.1 Ų62.13%0.02633%0.333CS..Hα-helixtrans-54.9-44173.8-170.1-105.7000113.4V14 M18 R19 P27 A31 A32 I33 L97 P98V14-F29 HydrophobicContact CB-CE2 4.25Å; V14-F29 HydrophobicContact CG1-CE2 4.01Å; M18-F29 HydrophobicContact CB-CB 4.07Å; M18-F29 HydrophobicContact CB-CD2 4.16Å; M18-F29 VanDerWaalsContact O-CB 3.29Å; M18-F29 WeakPolarHBondContact O-CB 2.95Å; M18-F29 PolarHBondContact O-N 2.88Å; R19-F29 HydrophobicContact CG-CB 4.15Å; R19-F29 HydrophobicContact CG-CD1 4.41Å; R19-F29 HydrophobicContact CG-CD2 4.45Å; R19-F29 HydrophobicContact CG-CG 4.07Å; P27-F29 PolarHBondContact O-N 3.36Å; P27-F29 VanDerWaalsContact O-N 3.1Å; F29-A31 PolarHBondContact O-N 3.02Å; F29-A32 PolarHBondContact O-N 3.47Å; F29-I33 HydrophobicContact CD1-CG1 4.09Å; F29-I33 HydrophobicContact CE1-CD1 4.16Å; F29-I33 HydrophobicContact CE1-CG1 3.67Å; F29-I33 HydrophobicContact CE2-CD1 4.33Å; F29-I33 HydrophobicContact CE2-CG1 4.24Å; F29-I33 HydrophobicContact CZ-CD1 3.81Å; F29-I33 HydrophobicContact CZ-CG1 3.77Å; F29-I33 VanDerWaalsContact O-CG1 3.32Å; F29-I33 WeakPolarHBondContact O-CG1 3.43Å; F29-I33 PolarHBondContact O-N 2.87Å; F29-L97 HydrophobicContact CZ-CB 4.47Å; F29-P98 HydrophobicContact CE1-CB 4.23Å; F29-P98 HydrophobicContact CE1-CG 4.19Å
30D85.9Confident79.8Confident81 Ų8158.8 Ų58.843%0.43332%0.321SS..Hα-helixtrans-66.8-41.4-178.3-72-14.7000111P27 F28 I33 E34P27-D30 HydrophobicContact CG-CB 4.42Å; P27-D30 WeakPolarHBondContact CG-OD2 3.26Å; P27-D30 PolarHBondContact O-N 2.69Å; P27-D30 VanDerWaalsContact O-N 3.07Å; F28-D30 VanDerWaalsContact C-N 3.33Å; F28-D30 PolarHBondContact O-N 3.48Å; D30-I33 PolarHBondContact O-N 3.35Å; D30-E34 WeakPolarHBondContact O-CG 3.29Å; D30-E34 PolarHBondContact O-N 3.38Å
31A83.7Confident80.1Confident24 Ų2458.7 Ų58.720%0.19831%0.314CS..Hα-helixtrans-63.3-41.6174.500000111.7F28 F29 E34 C35 F193F28-A31 PolarHBondContact O-N 3.34Å; F29-A31 PolarHBondContact O-N 3.02Å; A31-E34 PolarHBondContact O-N 3.36Å; A31-C35 PolarHBondContact O-N 3.03Å; A31-C35 PolarHBondContact O-SG 2.89Å; A31-C35 VanDerWaalsContact O-SG 3.32Å; A31-F193 HydrophobicContact CB-CB 4.36Å; A31-F193 HydrophobicContact CB-CD1 4.07Å; A31-F193 HydrophobicContact CB-CG 4.33Å
32A86.8Confident80.7Confident0 Ų059.9 Ų59.90%031%0.312CS..Hα-helixtrans-63.3-44.3176.800000111.8L12 M18 F28 F29 E34 C35 V36 L136 F193L12-A32 HydrophobicContact CD1-CB 3.77Å; M18-A32 HydrophobicContact CE-CB 3.76Å; F28-A32 WeakPolarHBondContact O-CB 3.48Å; F28-A32 PolarHBondContact O-N 3.36Å; F29-A32 PolarHBondContact O-N 3.47Å; A32-E34 PolarHBondContact O-N 3.01Å; A32-C35 WeakPolarHBondContact O-CB 3.34Å; A32-C35 PolarHBondContact O-N 2.61Å; A32-V36 WeakPolarHBondContact O-CG2 3.26Å; A32-V36 PolarHBondContact O-N 2.96Å; A32-L136 HydrophobicContact CB-CB 4.37Å; A32-L136 HydrophobicContact CB-CD2 4.11Å; A32-F193 HydrophobicContact CB-CE1 3.76Å; A32-F193 HydrophobicContact CB-CZ 4.16Å
33I88.3Confident81.6Confident4 Ų457.3 Ų57.32%0.02130%0.298CS..Hα-helixtrans-61.6-43.4175.8-71.2-69.2000111L12 F29 D30 V36 K37 V94 L97L12-I33 HydrophobicContact CD2-CD1 3.8Å; F29-I33 HydrophobicContact CD1-CG1 4.09Å; F29-I33 HydrophobicContact CE1-CD1 4.16Å; F29-I33 HydrophobicContact CE1-CG1 3.67Å; F29-I33 HydrophobicContact CE2-CD1 4.33Å; F29-I33 HydrophobicContact CE2-CG1 4.24Å; F29-I33 HydrophobicContact CZ-CD1 3.81Å; F29-I33 HydrophobicContact CZ-CG1 3.77Å; F29-I33 VanDerWaalsContact O-CG1 3.32Å; F29-I33 WeakPolarHBondContact O-CG1 3.43Å; F29-I33 PolarHBondContact O-N 2.87Å; D30-I33 PolarHBondContact O-N 3.35Å; I33-V36 PolarHBondContact O-N 2.88Å; I33-K37 HydrophobicContact CG2-CD 4.02Å; I33-K37 VanDerWaalsContact CG2-CE 3.41Å; I33-K37 HydrophobicContact CG2-CG 4.36Å; I33-K37 WeakPolarHBondContact O-CB 3.39Å; I33-K37 VanDerWaalsContact O-CG 3.27Å; I33-K37 WeakPolarHBondContact O-CG 3.42Å; I33-K37 PolarHBondContact O-N 3.32Å; I33-V94 HydrophobicContact CD1-CG1 4.37Å; I33-L97 HydrophobicContact CD1-CB 3.94Å; I33-L97 HydrophobicContact CD1-CD1 3.92Å
34E86.3Confident82.8Confident74 Ų7448.7 Ų48.735%0.34626%0.262SS..Hα-helixtrans-64-39.5175.9-73-57125.500112.3D30 A31 A32 K37 W38D30-E34 WeakPolarHBondContact O-CG 3.29Å; D30-E34 PolarHBondContact O-N 3.38Å; A31-E34 PolarHBondContact O-N 3.36Å; A32-E34 PolarHBondContact O-N 3.01Å; E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 VanDerWaalsContact OE1-CD 3.31Å; E34-K37 WeakPolarHBondContact OE1-CD 3.47Å; E34-K37 IonicContact OE1-NZ 3.87Å; E34-K37 PolarHBondContact OE1-NZ 3.05Å; E34-W38 WeakPolarHBondContact O-CB 3.21Å; E34-W38 PolarHBondContact O-N 2.85Å
35C86Confident83.9Confident10 Ų1052.1 Ų52.17%0.06825%0.254CS..Hα-helixtrans-59-48.2172.4-74.50000111.8A31 A32 W38 I39 L136A31-C35 PolarHBondContact O-N 3.03Å; A31-C35 PolarHBondContact O-SG 2.89Å; A31-C35 VanDerWaalsContact O-SG 3.32Å; A32-C35 WeakPolarHBondContact O-CB 3.34Å; A32-C35 PolarHBondContact O-N 2.61Å; C35-W38 WeakPolarHBondContact O-CB 3.42Å; C35-W38 PolarHBondContact O-N 2.95Å; C35-I39 WeakPolarHBondContact O-CG1 3.38Å; C35-I39 PolarHBondContact O-N 3.24Å; C35-L136 HydrophobicContact CB-CD2 3.93Å
36V89.1Confident84.7Confident0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-63.9-45.3178.5177.70000110.8I10 L12 A32 I33 W38 I39 L40 V94 L136I10-V36 HydrophobicContact CD1-CG1 4.29Å; I10-V36 HydrophobicContact CG2-CG1 4.42Å; I10-V36 HydrophobicContact CG2-CG2 3.84Å; L12-V36 HydrophobicContact CD1-CG2 4.44Å; A32-V36 WeakPolarHBondContact O-CG2 3.26Å; A32-V36 PolarHBondContact O-N 2.96Å; I33-V36 PolarHBondContact O-N 2.88Å; V36-W38 PolarHBondContact O-N 3Å; V36-I39 PolarHBondContact O-N 3.43Å; V36-L40 HydrophobicContact CG1-CD1 3.95Å; V36-L40 HydrophobicContact CG1-CG 4.3Å; V36-L40 WeakPolarHBondContact O-CG 3.48Å; V36-L40 PolarHBondContact O-N 2.66Å; V36-V94 HydrophobicContact CB-CG1 4.3Å; V36-V94 HydrophobicContact CG1-CG1 3.87Å; V36-V94 HydrophobicContact CG1-CG2 4.06Å; V36-L136 HydrophobicContact CG2-CD1 4Å; V36-L136 HydrophobicContact CG2-CD2 4.02Å
37K88.1Confident85Confident38 Ų3856.6 Ų56.617%0.16527%0.269CS..Hα-helixtrans-55.4-41174.3-76.9173.7-175.9168.90111.5I33 E34 K41 F91 V94I33-K37 HydrophobicContact CG2-CD 4.02Å; I33-K37 VanDerWaalsContact CG2-CE 3.41Å; I33-K37 HydrophobicContact CG2-CG 4.36Å; I33-K37 WeakPolarHBondContact O-CB 3.39Å; I33-K37 VanDerWaalsContact O-CG 3.27Å; I33-K37 WeakPolarHBondContact O-CG 3.42Å; I33-K37 PolarHBondContact O-N 3.32Å; E34-K37 PolarHBondContact O-N 3.48Å; E34-K37 VanDerWaalsContact OE1-CD 3.31Å; E34-K37 WeakPolarHBondContact OE1-CD 3.47Å; E34-K37 IonicContact OE1-NZ 3.87Å; E34-K37 PolarHBondContact OE1-NZ 3.05Å; K37-K41 VanDerWaalsContact O-CB 3.3Å; K37-K41 WeakPolarHBondContact O-CB 3.45Å; K37-K41 VanDerWaalsContact O-CG 3.28Å; K37-K41 WeakPolarHBondContact O-CG 3.48Å; K37-K41 PolarHBondContact O-N 3.38Å; K37-F91 HydrophobicContact CB-CE2 3.77Å; K37-F91 HydrophobicContact CB-CZ 4.28Å; K37-F91 HydrophobicContact CD-CZ 4.46Å; K37-F91 HydrophobicContact CG-CE2 3.8Å; K37-F91 HydrophobicContact CG-CZ 4.04Å; K37-V94 HydrophobicContact CG-CG1 4.13Å
38W84.3Confident85.1Confident120 Ų12057.1 Ų57.146%0.45527%0.273SS..Hα-helixtrans-65.6-46.5177.3-100.882.3000112.7E34 C35 V36 L40 K41 R42E34-W38 WeakPolarHBondContact O-CB 3.21Å; E34-W38 PolarHBondContact O-N 2.85Å; C35-W38 WeakPolarHBondContact O-CB 3.42Å; C35-W38 PolarHBondContact O-N 2.95Å; V36-W38 PolarHBondContact O-N 3Å; W38-L40 VanDerWaalsContact C-N 3.31Å; W38-L40 PolarHBondContact O-N 3.04Å; W38-K41 PolarHBondContact O-N 3.38Å; W38-R42 WeakPolarHBondContact O-CB 3.41Å; W38-R42 PolarHBondContact O-N 3.31Å
39I87.5Confident85.2Confident45 Ų4558.2 Ų58.223%0.23129%0.286CS..Hα-helixtrans-58.1-46.5177.6-67.6165.2000110I10 C35 V36 R43I10-I39 HydrophobicContact CD1-CG2 4.06Å; C35-I39 WeakPolarHBondContact O-CG1 3.38Å; C35-I39 PolarHBondContact O-N 3.24Å; V36-I39 PolarHBondContact O-N 3.43Å; I39-R43 WeakPolarHBondContact O-CG 3.48Å; I39-R43 PolarHBondContact O-N 3.49Å
40L88.4Confident85.3Confident3 Ų359 Ų592%0.01629%0.29CS..Hα-helixtrans-68.5-49.3-179.8-63.4176.8000112.1I10 V36 W38 R42 R43 I44 V52 V86 L90 F91 V94I10-L40 HydrophobicContact CD1-CD2 4.42Å; V36-L40 HydrophobicContact CG1-CD1 3.95Å; V36-L40 HydrophobicContact CG1-CG 4.3Å; V36-L40 WeakPolarHBondContact O-CG 3.48Å; V36-L40 PolarHBondContact O-N 2.66Å; W38-L40 VanDerWaalsContact C-N 3.31Å; W38-L40 PolarHBondContact O-N 3.04Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.47Å; L40-R43 PolarHBondContact O-N 2.95Å; L40-R43 VanDerWaalsContact O-N 3.08Å; L40-I44 WeakPolarHBondContact O-CG1 3.31Å; L40-I44 PolarHBondContact O-N 3.41Å; L40-V52 HydrophobicContact CD2-CG1 4.05Å; L40-V86 HydrophobicContact CB-CG1 4.14Å; L40-V86 HydrophobicContact CD2-CG1 3.77Å; L40-V86 HydrophobicContact CD2-CG2 4.33Å; L40-L90 HydrophobicContact CD1-CG 4.31Å; L40-L90 HydrophobicContact CD2-CD2 3.99Å; L40-F91 HydrophobicContact CB-CD2 4.1Å; L40-V94 HydrophobicContact CD1-CB 4.37Å; L40-V94 HydrophobicContact CD1-CG2 3.68Å
41K85.5Confident85.6Confident79 Ų7955.7 Ų55.734%0.34327%0.273SS..Hα-helixtrans-54.5-46.4177.9-81.7178.2-175.5177.40111.8K37 W38 R43 I44 F45 F91K37-K41 VanDerWaalsContact O-CB 3.3Å; K37-K41 WeakPolarHBondContact O-CB 3.45Å; K37-K41 VanDerWaalsContact O-CG 3.28Å; K37-K41 WeakPolarHBondContact O-CG 3.48Å; K37-K41 PolarHBondContact O-N 3.38Å; W38-K41 PolarHBondContact O-N 3.38Å; K41-R43 VanDerWaalsContact C-N 3.26Å; K41-R43 PolarHBondContact O-N 3.12Å; K41-I44 PolarHBondContact O-N 3.16Å; K41-F45 HydrophobicContact CB-CD2 4.23Å; K41-F45 HydrophobicContact CB-CE2 4.17Å; K41-F45 HydrophobicContact CG-CE2 4.4Å; K41-F45 WeakPolarHBondContact O-CD2 3.48Å; K41-F45 PolarHBondContact O-N 2.85Å; K41-F91 HydrophobicContact CD-CE2 4.07Å; K41-F91 HydrophobicContact CD-CZ 4.24Å; K41-F91 HydrophobicContact CG-CD2 4.13Å; K41-F91 HydrophobicContact CG-CE2 3.57Å; K41-F91 HydrophobicContact CG-CZ 4.11Å
42R83Confident86Confident170 Ų17054.6 Ų54.664%0.64226%0.263SS*.Hα-helixtrans-59.7-39.7-179.3-176.2174.2177.2159.4-1.6111.6W38 L40 A46W38-R42 WeakPolarHBondContact O-CB 3.41Å; W38-R42 PolarHBondContact O-N 3.31Å; L40-R42 VanDerWaalsContact C-N 3.29Å; L40-R42 PolarHBondContact O-N 3.47Å; R42-A46 WeakPolarHBondContact O-CB 3.41Å; R42-A46 PolarHBondContact O-N 2.71Å
43R82.6Confident86.2Confident44 Ų4454.6 Ų54.617%0.16626%0.263CS..Hα-helixtrans-71.5-39.3179.1-71.9178.8178.3-71.5-4.7112.3E6 I39 L40 K41 A46 E47 S48 D50 V86E6-R43 IonicContact OE2-CZ 3.33Å; E6-R43 IonicContact OE2-NH1 3.92Å; E6-R43 IonicContact OE2-NH2 3.15Å; E6-R43 PolarHBondContact OE2-NH2 2.97Å; I39-R43 WeakPolarHBondContact O-CG 3.48Å; I39-R43 PolarHBondContact O-N 3.49Å; L40-R43 PolarHBondContact O-N 2.95Å; L40-R43 VanDerWaalsContact O-N 3.08Å; K41-R43 VanDerWaalsContact C-N 3.26Å; K41-R43 PolarHBondContact O-N 3.12Å; R43-A46 PolarHBondContact O-N 3.07Å; R43-E47 PolarHBondContact O-N 3.08Å; R43-E47 VanDerWaalsContact O-N 3.16Å; R43-S48 WeakPolarHBondContact CB-OG 3.39Å; R43-S48 PolarHBondContact O-N 3.16Å; R43-S48 VanDerWaalsContact O-N 3.11Å; R43-S48 PolarHBondContact O-OG 3.42Å; R43-D50 IonicContact CZ-OD2 3.36Å; R43-D50 VanDerWaalsContact NH1-CG 3.27Å; R43-D50 IonicContact NH1-OD2 3.64Å; R43-D50 PolarHBondContact NH1-OD2 3.27Å; R43-V86 HydrophobicContact CB-CB 4.36Å; R43-V86 HydrophobicContact CB-CG2 3.93Å
44I85.9Confident86.3Confident23 Ų2354.6 Ų54.612%0.11826%0.263CS..Hα-helixtrans-62.1-50.5173.7-64.2166000110.6L40 K41 A46 E47 V86 W88 F91L40-I44 WeakPolarHBondContact O-CG1 3.31Å; L40-I44 PolarHBondContact O-N 3.41Å; K41-I44 PolarHBondContact O-N 3.16Å; I44-A46 VanDerWaalsContact C-N 3.31Å; I44-A46 PolarHBondContact O-N 3.32Å; I44-E47 PolarHBondContact O-N 2.76Å; I44-E47 VanDerWaalsContact O-N 3.12Å; I44-V86 HydrophobicContact CD1-CG1 3.88Å; I44-V86 HydrophobicContact CG1-CB 4.14Å; I44-V86 HydrophobicContact CG1-CG1 3.49Å; I44-V86 VanDerWaalsContact CG1-CG1 3.49Å; I44-W88 HydrophobicContact CD1-CD2 4.18Å; I44-W88 HydrophobicContact CD1-CE3 3.92Å; I44-W88 HydrophobicContact CD1-CH2 4.48Å; I44-W88 HydrophobicContact CD1-CZ3 4.07Å; I44-W88 HydrophobicContact CG2-CD2 4.22Å; I44-W88 HydrophobicContact CG2-CH2 3.85Å; I44-W88 HydrophobicContact CG2-CZ2 3.35Å; I44-W88 HydrophobicContact CG2-CZ3 4.45Å; I44-F91 HydrophobicContact CD1-CB 4.09Å
45F83.8Confident86.6Confident153 Ų15351.1 Ų51.167%0.67125%0.247SC*.Hα-helixtrans-70-26.4-178.8-73.2-61.1000113.9K41 E47 W88K41-F45 HydrophobicContact CB-CD2 4.23Å; K41-F45 HydrophobicContact CB-CE2 4.17Å; K41-F45 HydrophobicContact CG-CE2 4.4Å; K41-F45 WeakPolarHBondContact O-CD2 3.48Å; K41-F45 PolarHBondContact O-N 2.85Å; F45-E47 VanDerWaalsContact C-N 3.28Å; F45-W88 HydrophobicContact CZ-CH2 4.16Å
46A82.8Confident86.8Confident70 Ų7051.3 Ų51.358%0.57925%0.247SC*.THydrogen-bonded Turntrans-83.1-5.5174.300000113R42 R43 I44 S48R42-A46 WeakPolarHBondContact O-CB 3.41Å; R42-A46 PolarHBondContact O-N 2.71Å; R43-A46 PolarHBondContact O-N 3.07Å; I44-A46 VanDerWaalsContact C-N 3.31Å; I44-A46 PolarHBondContact O-N 3.32Å; A46-S48 PolarHBondContact O-N 3.14Å
47E80.7Confident86.7Confident180 Ų18051.4 Ų51.484%0.84125%0.248SC*.THydrogen-bonded Turntrans4742.4-170.9-61.9-177.2170.600111.5R43 I44 F45 S49R43-E47 PolarHBondContact O-N 3.08Å; R43-E47 VanDerWaalsContact O-N 3.16Å; I44-E47 PolarHBondContact O-N 2.76Å; I44-E47 VanDerWaalsContact O-N 3.12Å; F45-E47 VanDerWaalsContact C-N 3.28Å; E47-S49 PolarHBondContact O-N 3.46Å
48S81.6Confident86.5Confident29 Ų2949.6 Ų49.620%0.20324%0.24CC..  trans-65.9137.9-173.863.20000110.5R43 A46 D50R43-S48 WeakPolarHBondContact CB-OG 3.39Å; R43-S48 PolarHBondContact O-N 3.16Å; R43-S48 VanDerWaalsContact O-N 3.11Å; R43-S48 PolarHBondContact O-OG 3.42Å; A46-S48 PolarHBondContact O-N 3.14Å; S48-D50 PolarHBondContact O-N 3.03Å
49S82.7Confident86.4Confident70 Ų7044.3 Ų44.349%0.4922%0.221SC..  trans-67.5-0.8173.557.70000113.8K5 E47K5-S49 WeakPolarHBondContact CE-O 3.2Å; K5-S49 WeakPolarHBondContact CG-O 3.4Å; E47-S49 PolarHBondContact O-N 3.46Å
50D88.7Confident86.1Confident21 Ų2146.4 Ų46.411%0.11223%0.233CC..  trans-73.1142.8-169.9-57.2-29.6000111.6E6 R43 S48E6-D50 HydrophobicContact CB-CB 4.22Å; E6-D50 PolarHBondContact N-OD1 3.03Å; E6-D50 WeakPolarHBondContact O-CA 3.42Å; R43-D50 IonicContact CZ-OD2 3.36Å; R43-D50 VanDerWaalsContact NH1-CG 3.27Å; R43-D50 IonicContact NH1-OD2 3.64Å; R43-D50 PolarHBondContact NH1-OD2 3.27Å; S48-D50 PolarHBondContact O-N 3.03Å
51E90.8Very high85.7Confident13 Ų1348.6 Ų48.66%0.06125%0.252CS..EExtended strand (participates in β ladder)trans-101.2131.9178-65.7178.7-174.400109.6K5 E6 I8 L83 K84 T85 K126 F128K5-E51 VanDerWaalsContact NZ-CD 3.31Å; K5-E51 IonicContact NZ-OE1 2.64Å; K5-E51 PolarHBondContact NZ-OE1 3.16Å; E6-E51 PolarHBondContact O-N 3.15Å; I8-E51 PolarHBondContact N-O 2.86Å; E51-L83 HydrophobicContact CB-CD1 3.75Å; E51-L83 HydrophobicContact CB-CD2 4.38Å; E51-L83 HydrophobicContact CB-CG 3.62Å; E51-L83 WeakPolarHBondContact O-CD1 3.4Å; E51-K84 CarbonylContact C-O 3.5Å; E51-K84 VanDerWaalsContact CA-O 3.26Å; E51-K84 WeakPolarHBondContact CA-O 3.49Å; E51-T85 HydrophobicContact CG-CG2 4.43Å; E51-K126 VanDerWaalsContact CD-NZ 3.25Å; E51-K126 IonicContact OE1-NZ 2.81Å; E51-K126 PolarHBondContact OE1-NZ 2.77Å; E51-K126 IonicContact OE2-NZ 2.9Å; E51-K126 PolarHBondContact OE2-NZ 2.99Å; E51-F128 HydrophobicContact CB-CE1 4.24Å; E51-F128 HydrophobicContact CG-CE1 4.3Å; E51-F128 WeakPolarHBondContact OE2-CZ 3.43Å
52V92.1Very high85.3Confident1 Ų146.9 Ų46.91%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-121.9128.7-177.3-174.70000109.6I8 I10 L40 K84 V86I8-V52 HydrophobicContact CB-CG2 4.3Å; I8-V52 HydrophobicContact CD1-CG2 4.33Å; I8-V52 CarbonylContact O-C 3.6Å; I8-V52 VanDerWaalsContact O-CA 3.28Å; I8-V52 WeakPolarHBondContact O-CA 3.32Å; I10-V52 HydrophobicContact CD1-CG1 3.72Å; I10-V52 HydrophobicContact CG1-CG1 4.03Å; L40-V52 HydrophobicContact CD2-CG1 4.05Å; V52-K84 PolarHBondContact N-O 3.23Å; V52-K84 PolarHBondContact O-N 2.84Å; V52-V86 HydrophobicContact CB-CG2 3.87Å; V52-V86 HydrophobicContact CG2-CG2 3.35Å
53A91Very high85.1Confident0 Ų043 Ų430%024%0.242CC..EExtended strand (participates in β ladder)trans-107.4148.7169.500000110I8 I9 I10 S81 L83 Y118I8-A53 PolarHBondContact O-N 3.22Å; I9-A53 WeakPolarHBondContact CA-O 3.37Å; I9-A53 HydrophobicContact CB-CB 4.26Å; I9-A53 HydrophobicContact CD1-CB 4.2Å; I9-A53 HydrophobicContact CG1-CB 3.97Å; I10-A53 PolarHBondContact N-O 3.21Å; A53-S81 WeakPolarHBondContact CA-O 3.43Å; A53-S81 WeakPolarHBondContact CB-O 3.42Å; A53-L83 HydrophobicContact CB-CB 4.35Å; A53-L83 HydrophobicContact CB-CD1 4.14Å; A53-Y118 HydrophobicContact CB-CE1 4.17Å
54L92Very high84.9Confident3 Ų341.1 Ų41.12%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-119.6116.6178.2-178.566.4000109.5I10 L56 A80 S81 L90 V94 L97I10-L54 HydrophobicContact CB-CD1 4.1Å; I10-L54 HydrophobicContact CG2-CD1 4.05Å; L54-L56 HydrophobicContact CD1-CD2 4.17Å; L54-L56 HydrophobicContact CD2-CD2 4.21Å; L54-L56 HydrophobicContact CG-CD2 4Å; L54-A80 HydrophobicContact CD2-CB 4.2Å; L54-A80 HydrophobicContact CG-CB 4.3Å; L54-A80 PolarHBondContact O-N 2.9Å; L54-S81 PolarHBondContact N-O 3.32Å; L54-S81 PolarHBondContact O-N 3.4Å; L54-L90 HydrophobicContact CB-CD1 4.23Å; L54-L90 HydrophobicContact CD2-CD1 4.26Å; L54-V94 HydrophobicContact CD2-CG2 3.76Å; L54-L97 HydrophobicContact CD2-CD1 4.41Å
55L91.2Very high84.3Confident2 Ų241.6 Ų41.61%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-108.9125.8175.4-170.277.4000109I9 I10 C11 L12 V77 L79 A111 V114 A115I9-L55 HydrophobicContact CD1-CB 4.29Å; I9-L55 HydrophobicContact CG1-CB 4.3Å; I10-L55 PolarHBondContact O-N 2.96Å; C11-L55 CarbonylContact C-O 3.57Å; C11-L55 WeakPolarHBondContact CA-O 3.36Å; L12-L55 PolarHBondContact N-O 3.45Å; L55-V77 HydrophobicContact CD1-CG1 3.87Å; L55-V77 HydrophobicContact CD2-CG1 4.02Å; L55-V77 HydrophobicContact CG-CG1 4.03Å; L55-L79 HydrophobicContact CD1-CB 4.19Å; L55-L79 HydrophobicContact CD1-CD1 4.03Å; L55-A111 WeakPolarHBondContact CD2-O 3.43Å; L55-V114 HydrophobicContact CD1-CG1 4.2Å; L55-V114 HydrophobicContact CD2-CG1 4.4Å; L55-A115 HydrophobicContact CD2-CB 3.83Å
56L90.4Very high83.7Confident14 Ų1435.5 Ų35.57%0.07321%0.212CC..EExtended strand (participates in β ladder)trans-108.2128.4176.8-54.2178.8000108.7L12 V14 L54 S78 A80 L97L12-L56 HydrophobicContact CB-CD2 4Å; L12-L56 HydrophobicContact CD2-CD2 4.06Å; L12-L56 HydrophobicContact CG-CD2 4.47Å; L12-L56 WeakPolarHBondContact O-CA 3.47Å; V14-L56 HydrophobicContact CG1-CB 4.38Å; V14-L56 HydrophobicContact CG1-CD2 4Å; V14-L56 HydrophobicContact CG2-CB 4.4Å; L54-L56 HydrophobicContact CD1-CD2 4.17Å; L54-L56 HydrophobicContact CD2-CD2 4.21Å; L54-L56 HydrophobicContact CG-CD2 4Å; L56-S78 PolarHBondContact N-O 3.16Å; L56-S78 PolarHBondContact O-N 2.99Å; L56-A80 HydrophobicContact CD1-CB 3.69Å; L56-A80 HydrophobicContact CG-CB 3.85Å; L56-L97 HydrophobicContact CD1-CD2 3.56Å; L56-L97 HydrophobicContact CD2-CD1 4.07Å; L56-L97 HydrophobicContact CD2-CD2 4.29Å
57F88Confident83.1Confident1 Ų134.5 Ų34.50%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-124.4145.4173.262.9-85.3000110.4C11 L12 D13 V14 N76 V77 F108 A111 L135C11-F57 HydrophobicContact CB-CD1 4.37Å; C11-F57 HydrophobicContact CB-CE1 3.98Å; L12-F57 WeakPolarHBondContact O-CD1 3.5Å; L12-F57 PolarHBondContact O-N 3.07Å; L12-F57 VanDerWaalsContact O-N 3.1Å; D13-F57 HydrophobicContact CB-CD2 4.31Å; D13-F57 HydrophobicContact CB-CE1 4.12Å; D13-F57 HydrophobicContact CB-CE2 3.51Å; D13-F57 HydrophobicContact CB-CZ 3.41Å; D13-F57 VanDerWaalsContact CB-CZ 3.41Å; V14-F57 WeakPolarHBondContact CG2-O 3.33Å; V14-F57 PolarHBondContact N-O 3.35Å; F57-N76 WeakPolarHBondContact CA-O 3.46Å; F57-V77 HydrophobicContact CB-CG1 4.49Å; F57-V77 HydrophobicContact CB-CG2 4.05Å; F57-F108 HydrophobicContact CE2-CB 4.35Å; F57-F108 HydrophobicContact CZ-CB 4.47Å; F57-A111 HydrophobicContact CB-CB 3.8Å; F57-A111 HydrophobicContact CD1-CB 3.53Å; F57-A111 HydrophobicContact CD2-CB 4.08Å; F57-A111 HydrophobicContact CE1-CB 4.05Å; F57-A111 HydrophobicContact CG-CB 3.54Å; F57-A111 HydrophobicContact CZ-CB 4.5Å; F57-L135 HydrophobicContact CE1-CD1 3.78Å; F57-L135 HydrophobicContact CZ-CD1 3.75Å
58G83.8Confident82.5Confident0 Ų033.7 Ų33.70%020%0.195CC..SBendtrans87.313.5-167.900000113.7N76 G103G58-N76 PolarHBondContact N-O 2.87Å; G58-G103 PolarHBondContact O-N 3.4Å
59S82.1Confident82Confident9 Ų938.6 Ų38.66%0.06322%0.219CC..BIsolated β-bridgetrans-94.8159.817784.40000111.5A61 N76S59-A61 PolarHBondContact O-N 3.15Å; S59-A61 PolarHBondContact OG-N 3.39Å; S59-A61 PolarHBondContact OG-O 3.5Å; S59-N76 PolarHBondContact N-O 3.4Å; S59-N76 VanDerWaalsContact O-CA 3.31Å; S59-N76 WeakPolarHBondContact O-CA 3.42Å; S59-N76 VanDerWaalsContact O-CB 3.28Å; S59-N76 WeakPolarHBondContact O-CB 3.39Å; S59-N76 PolarHBondContact O-ND2 3.17Å
60D80.1Confident81.4Confident90 Ų9038.4 Ų38.448%0.48123%0.227SC..SBendtrans-65.4-22.8171.1-79-20.9000112.8K101 G103D60-K101 VanDerWaalsContact OD2-CB 3.24Å; D60-K101 WeakPolarHBondContact OD2-CB 3.44Å; D60-G103 WeakPolarHBondContact OD1-CA 3.34Å; D60-G103 PolarHBondContact OD1-N 3.15Å
61A79.9Confident80.6Confident49 Ų4941.9 Ų41.941%0.40524%0.241SC..  trans-79.2145-179.700000111.7S59 N76S59-A61 PolarHBondContact O-N 3.15Å; S59-A61 PolarHBondContact OG-N 3.39Å; S59-A61 PolarHBondContact OG-O 3.5Å; A61-N76 CarbonylContact O-C 3.54Å; A61-N76 WeakPolarHBondContact O-CA 3.21Å
62S77.5Confident79.6Confident42 Ų4244.5 Ų44.529%0.29427%0.266SS..  trans-130.557.5-179.4-58.30000111.2N76S62-N76 PolarHBondContact OG-N 2.99Å
63N79.5Confident78.6Confident90 Ų9049 Ų4948%0.48129%0.287SS..  trans-96.191.4177.5-173.521.1000111V77 S78 L79N63-V77 PolarHBondContact N-O 3.19Å; N63-S78 WeakPolarHBondContact CB-OG 3.42Å; N63-S78 CarbonylContact O-C 3.38Å; N63-S78 WeakPolarHBondContact O-CA 3.23Å; N63-L79 PolarHBondContact O-N 3.44Å
64N77.6Confident77.8Confident3 Ų350 Ų502%0.01629%0.291CS..SBendtrans-149.3159.5175.467.566000112.3F66 V67 E68 Y74 V77 V114N64-F66 PolarHBondContact O-N 2.77Å; N64-F66 VanDerWaalsContact O-N 3.15Å; N64-F66 WeakPolarHBondContact OD1-CA 3.41Å; N64-F66 WeakPolarHBondContact OD1-CB 3.38Å; N64-F66 PolarHBondContact OD1-N 2.86Å; N64-V67 VanDerWaalsContact ND2-CG2 3.35Å; N64-V67 WeakPolarHBondContact ND2-CG2 3.35Å; N64-V67 PolarHBondContact O-N 3.33Å; N64-V67 WeakPolarHBondContact OD1-CG2 3.46Å; N64-V67 PolarHBondContact OD1-N 3.26Å; N64-E68 PolarHBondContact O-N 2.92Å; N64-Y74 PolarHBondContact ND2-O 3.37Å; N64-V77 PolarHBondContact ND2-O 3.42Å; N64-V114 HydrophobicContact CB-CG1 3.97Å
65P73.2Confident77.2Confident34 Ų3454.7 Ų54.722%0.22131%0.312CS..Hα-helixtrans-60.2-27.6-176.9-2433.6000114.4L69 Y118P65-L69 WeakPolarHBondContact O-CD1 3.17Å; P65-L69 PolarHBondContact O-N 3.06Å; P65-Y118 HydrophobicContact CG-CD2 4.28Å
66F71.4Confident76.8Confident24 Ų2455.9 Ų55.911%0.10532%0.319CS..Hα-helixtrans-78.8-29.4-178-70.3-83.7000113.1N64 E68 L69 G70 K71 Y74 V114 T117N64-F66 PolarHBondContact O-N 2.77Å; N64-F66 VanDerWaalsContact O-N 3.15Å; N64-F66 WeakPolarHBondContact OD1-CA 3.41Å; N64-F66 WeakPolarHBondContact OD1-CB 3.38Å; N64-F66 PolarHBondContact OD1-N 2.86Å; F66-E68 VanDerWaalsContact C-N 3.33Å; F66-L69 CarbonylContact O-C 3.36Å; F66-L69 WeakPolarHBondContact O-CB 3.28Å; F66-L69 PolarHBondContact O-N 3.09Å; F66-G70 PolarHBondContact O-N 2.98Å; F66-K71 HydrophobicContact CD1-CD 4.19Å; F66-K71 PolarHBondContact O-N 3.44Å; F66-K71 VanDerWaalsContact O-N 3.08Å; F66-Y74 HydrophobicContact CB-CD2 3.6Å; F66-Y74 HydrophobicContact CB-CE2 4.31Å; F66-Y74 HydrophobicContact CB-CG 3.88Å; F66-Y74 HydrophobicContact CD1-CD2 4.28Å; F66-Y74 HydrophobicContact CD1-CE2 4.15Å; F66-Y74 AromaticContact CG-CD2 3.99Å; F66-Y74 HydrophobicContact CG-CD2 3.99Å; F66-Y74 HydrophobicContact CG-CE2 4.25Å; F66-Y74 HydrophobicContact CG-CG 4.31Å; F66-V114 HydrophobicContact CD2-CB 4.44Å; F66-V114 HydrophobicContact CD2-CG1 4.45Å; F66-V114 HydrophobicContact CD2-CG2 3.83Å; F66-V114 HydrophobicContact CE2-CB 4.49Å; F66-V114 HydrophobicContact CE2-CG2 4.19Å; F66-T117 HydrophobicContact CE2-CG2 4.03Å; F66-T117 HydrophobicContact CZ-CG2 3.68Å
67V70Confident76.5Confident49 Ų4955.2 Ų55.230%0.29732%0.315SS..Hα-helixtrans-67.5-37.8172.8171.20000110N64 L69 G70 Y74N64-V67 VanDerWaalsContact ND2-CG2 3.35Å; N64-V67 WeakPolarHBondContact ND2-CG2 3.35Å; N64-V67 PolarHBondContact O-N 3.33Å; N64-V67 WeakPolarHBondContact OD1-CG2 3.46Å; N64-V67 PolarHBondContact OD1-N 3.26Å; V67-L69 VanDerWaalsContact C-N 3.26Å; V67-L69 PolarHBondContact O-N 3.07Å; V67-G70 PolarHBondContact O-N 3.21Å; V67-Y74 WeakPolarHBondContact CG2-O 3.01Å
68E68.7Low76.4Confident163 Ų16355.8 Ų55.876%0.76232%0.319SS*.Hα-helixtrans-62.4-33.6172.4-61.6-174.9164.700112.3N64 F66 G70N64-E68 PolarHBondContact O-N 2.92Å; F66-E68 VanDerWaalsContact C-N 3.33Å; E68-G70 PolarHBondContact O-N 3.04Å
69L72.1Confident76.5Confident133 Ų13356.8 Ų56.870%0.69632%0.324SS*.THydrogen-bonded Turntrans-76.81.5173.7-76.8154.5000113.8P65 F66 V67P65-L69 WeakPolarHBondContact O-CD1 3.17Å; P65-L69 PolarHBondContact O-N 3.06Å; F66-L69 CarbonylContact O-C 3.36Å; F66-L69 WeakPolarHBondContact O-CB 3.28Å; F66-L69 PolarHBondContact O-N 3.09Å; V67-L69 VanDerWaalsContact C-N 3.26Å; V67-L69 PolarHBondContact O-N 3.07Å
70G70Confident76.7Confident65 Ų6558.9 Ų58.967%0.6734%0.342SS*.THydrogen-bonded Turntrans81.213.6176.100000115.3F66 V67 E68 A72F66-G70 PolarHBondContact O-N 2.98Å; V67-G70 PolarHBondContact O-N 3.21Å; E68-G70 PolarHBondContact O-N 3.04Å; G70-A72 PolarHBondContact O-N 3.29Å
71K72Confident77Confident94 Ų9455.1 Ų55.141%0.40932%0.323SS..  trans-83.595.6176.5-66.9-164.7-179.5-172.80111F66 E73 Y74F66-K71 HydrophobicContact CD1-CD 4.19Å; F66-K71 PolarHBondContact O-N 3.44Å; F66-K71 VanDerWaalsContact O-N 3.08Å; K71-E73 HydrophobicContact CB-CG 4.08Å; K71-E73 PolarHBondContact O-N 3.33Å; K71-Y74 HydrophobicContact CB-CD2 3.82Å; K71-Y74 HydrophobicContact CB-CE2 4.29Å; K71-Y74 HydrophobicContact CD-CD2 4.16Å; K71-Y74 HydrophobicContact CD-CE2 3.81Å; K71-Y74 PolarHBondContact O-N 3.3Å
72A70Confident77.4Confident69 Ų6959.4 Ų59.457%0.5734%0.335SS*.G310 helixtrans-58.1-20.2179.900000114.5G70 Y74 Q75G70-A72 PolarHBondContact O-N 3.29Å; A72-Y74 VanDerWaalsContact C-N 3.3Å; A72-Y74 PolarHBondContact O-N 3.44Å; A72-Q75 VanDerWaalsContact O-CG 3.26Å; A72-Q75 WeakPolarHBondContact O-CG 3.48Å; A72-Q75 PolarHBondContact O-N 3.01Å
73E69.8Low77.9Confident95 Ų9558.4 Ų58.444%0.44433%0.326SS..G310 helixtrans-67.5-28.5-179.658.6157.7165.400112.6K71 Q75 R110K71-E73 HydrophobicContact CB-CG 4.08Å; K71-E73 PolarHBondContact O-N 3.33Å; E73-Q75 VanDerWaalsContact C-N 3.27Å; E73-Q75 PolarHBondContact O-N 3.43Å; E73-R110 PolarHBondContact O-NE 2.68Å; E73-R110 PolarHBondContact O-NH2 3.47Å; E73-R110 IonicContact OE2-CZ 3.45Å; E73-R110 IonicContact OE2-NH1 3.79Å; E73-R110 PolarHBondContact OE2-NH1 3.23Å; E73-R110 VanDerWaalsContact OE2-NH1 3.08Å; E73-R110 IonicContact OE2-NH2 2.83Å; E73-R110 PolarHBondContact OE2-NH2 2.91Å
74Y74.8Confident78.4Confident22 Ų2257.5 Ų57.59%0.08632%0.318CS..G310 helixtrans-90.727.4179.7-62.1-80.9000113.4N64 F66 V67 K71 A72 R110 T113 V114N64-Y74 PolarHBondContact ND2-O 3.37Å; F66-Y74 HydrophobicContact CB-CD2 3.6Å; F66-Y74 HydrophobicContact CB-CE2 4.31Å; F66-Y74 HydrophobicContact CB-CG 3.88Å; F66-Y74 HydrophobicContact CD1-CD2 4.28Å; F66-Y74 HydrophobicContact CD1-CE2 4.15Å; F66-Y74 AromaticContact CG-CD2 3.99Å; F66-Y74 HydrophobicContact CG-CD2 3.99Å; F66-Y74 HydrophobicContact CG-CE2 4.25Å; F66-Y74 HydrophobicContact CG-CG 4.31Å; V67-Y74 WeakPolarHBondContact CG2-O 3.01Å; K71-Y74 HydrophobicContact CB-CD2 3.82Å; K71-Y74 HydrophobicContact CB-CE2 4.29Å; K71-Y74 HydrophobicContact CD-CD2 4.16Å; K71-Y74 HydrophobicContact CD-CE2 3.81Å; K71-Y74 PolarHBondContact O-N 3.3Å; A72-Y74 VanDerWaalsContact C-N 3.3Å; A72-Y74 PolarHBondContact O-N 3.44Å; Y74-R110 HydrophobicContact CD1-CB 4.3Å; Y74-R110 HydrophobicContact CE1-CB 4.29Å; Y74-T113 HydrophobicContact CE1-CG2 4.45Å; Y74-V114 HydrophobicContact CD1-CG2 3.45Å; Y74-V114 VanDerWaalsContact CD1-CG2 3.45Å; Y74-V114 HydrophobicContact CE1-CG2 3.99Å; Y74-V114 HydrophobicContact CG-CG2 4.15Å
75Q79.3Confident78.9Confident100 Ų10060.7 Ų60.747%0.46734%0.337SS..THydrogen-bonded Turntrans-66159.8169.7-73.8176.519.600111.1A72 E73 V77A72-Q75 VanDerWaalsContact O-CG 3.26Å; A72-Q75 WeakPolarHBondContact O-CG 3.48Å; A72-Q75 PolarHBondContact O-N 3.01Å; E73-Q75 VanDerWaalsContact C-N 3.27Å; E73-Q75 PolarHBondContact O-N 3.43Å; Q75-V77 PolarHBondContact O-N 3.02Å
76N82Confident79.5Confident28 Ų2859.8 Ų59.815%0.1533%0.331CS..THydrogen-bonded Turntrans65.612.4178.9-54.4108.7000115.8F57 G58 S59 A61 S62 P104 V106F57-N76 WeakPolarHBondContact CA-O 3.46Å; G58-N76 PolarHBondContact N-O 2.87Å; S59-N76 PolarHBondContact N-O 3.4Å; S59-N76 VanDerWaalsContact O-CA 3.31Å; S59-N76 WeakPolarHBondContact O-CA 3.42Å; S59-N76 VanDerWaalsContact O-CB 3.28Å; S59-N76 WeakPolarHBondContact O-CB 3.39Å; S59-N76 PolarHBondContact O-ND2 3.17Å; A61-N76 CarbonylContact O-C 3.54Å; A61-N76 WeakPolarHBondContact O-CA 3.21Å; S62-N76 PolarHBondContact OG-N 2.99Å; N76-P104 WeakPolarHBondContact OD1-CG 3.31Å; N76-V106 HydrophobicContact CB-CG2 3.47Å; N76-V106 VanDerWaalsContact CB-CG2 3.47Å
77V84Confident80.2Confident0 Ų061.9 Ų61.90%034%0.343CS..EExtended strand (participates in β ladder)trans-110120.9168.3-176.50000108.3L55 F57 N63 N64 Q75 V106 V114L55-V77 HydrophobicContact CD1-CG1 3.87Å; L55-V77 HydrophobicContact CD2-CG1 4.02Å; L55-V77 HydrophobicContact CG-CG1 4.03Å; F57-V77 HydrophobicContact CB-CG1 4.49Å; F57-V77 HydrophobicContact CB-CG2 4.05Å; N63-V77 PolarHBondContact N-O 3.19Å; N64-V77 PolarHBondContact ND2-O 3.42Å; Q75-V77 PolarHBondContact O-N 3.02Å; V77-V106 HydrophobicContact CG2-CG1 3.96Å; V77-V114 HydrophobicContact CG1-CB 4.25Å; V77-V114 HydrophobicContact CG1-CG1 4.09Å; V77-V114 HydrophobicContact CG1-CG2 4.31Å
78S86.2Confident81Confident13 Ų1366 Ų669%0.09135%0.354CS..EExtended strand (participates in β ladder)trans-128.7127.3-176.1-1730000111.5L56 N63 A80L56-S78 PolarHBondContact N-O 3.16Å; L56-S78 PolarHBondContact O-N 2.99Å; N63-S78 WeakPolarHBondContact CB-OG 3.42Å; N63-S78 CarbonylContact O-C 3.38Å; N63-S78 WeakPolarHBondContact O-CA 3.23Å; S78-A80 PolarHBondContact O-N 3.3Å
79L87Confident82Confident20 Ų2063.6 Ų63.611%0.10535%0.346CS..EExtended strand (participates in β ladder)trans-77.5103.5167.8-170.769.6000108.2L55 N63 E82 Y118L55-L79 HydrophobicContact CD1-CB 4.19Å; L55-L79 HydrophobicContact CD1-CD1 4.03Å; N63-L79 PolarHBondContact O-N 3.44Å; L79-E82 HydrophobicContact CD2-CG 3.95Å; L79-Y118 HydrophobicContact CD1-CD1 4.44Å; L79-Y118 HydrophobicContact CD1-CE1 4.17Å; L79-Y118 HydrophobicContact CD2-CD2 4.15Å; L79-Y118 HydrophobicContact CD2-CE1 4.21Å; L79-Y118 HydrophobicContact CD2-CE2 3.56Å
80A85.2Confident82.6Confident53 Ų5357.4 Ų57.444%0.43831%0.314SS..EExtended strand (participates in β ladder)trans-80.9-29.5-178.700000112.2L54 L56 S78L54-A80 HydrophobicContact CD2-CB 4.2Å; L54-A80 HydrophobicContact CG-CB 4.3Å; L54-A80 PolarHBondContact O-N 2.9Å; L56-A80 HydrophobicContact CD1-CB 3.69Å; L56-A80 HydrophobicContact CG-CB 3.85Å; S78-A80 PolarHBondContact O-N 3.3Å
81S87.4Confident83.5Confident11 Ų1155.6 Ų55.68%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-143.5130.8171.8-178.50000109.9A53 L54 K84A53-S81 WeakPolarHBondContact CA-O 3.43Å; A53-S81 WeakPolarHBondContact CB-O 3.42Å; L54-S81 PolarHBondContact N-O 3.32Å; L54-S81 PolarHBondContact O-N 3.4Å; S81-K84 VanDerWaalsContact OG-CE 3.29Å; S81-K84 WeakPolarHBondContact OG-CE 3.21Å
82E88.2Confident84.2Confident140 Ų14057.6 Ų57.665%0.65430%0.298SS*.EExtended strand (participates in β ladder)trans-66.8167.5168.1-63.9-175.9174.800111.4L79 K84 Y118L79-E82 HydrophobicContact CD2-CG 3.95Å; E82-K84 PolarHBondContact O-N 3.3Å; E82-Y118 WeakPolarHBondContact CA-OH 3.46Å; E82-Y118 WeakPolarHBondContact CB-OH 3.3Å
83L87.6Confident85Confident20 Ų2056.3 Ų56.311%0.10529%0.285CS..EExtended strand (participates in β ladder)trans-64.999.8179.8-166.969000110.7A7 E51 A53 Y118 A122 F128A7-L83 HydrophobicContact CB-CD1 4.36Å; A7-L83 HydrophobicContact CB-CD2 4.22Å; E51-L83 HydrophobicContact CB-CD1 3.75Å; E51-L83 HydrophobicContact CB-CD2 4.38Å; E51-L83 HydrophobicContact CB-CG 3.62Å; E51-L83 WeakPolarHBondContact O-CD1 3.4Å; A53-L83 HydrophobicContact CB-CB 4.35Å; A53-L83 HydrophobicContact CB-CD1 4.14Å; L83-Y118 PolarHBondContact N-OH 3.46Å; L83-A122 HydrophobicContact CD2-CB 4.12Å; L83-F128 HydrophobicContact CD2-CE2 4.15Å; L83-F128 HydrophobicContact CD2-CZ 3.76Å
84K89.2Confident85.8Confident72 Ų7251.8 Ų51.831%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-137.9164.8-179.566.8177.5-172.1171.60111.3E51 V52 S81 E82E51-K84 CarbonylContact C-O 3.5Å; E51-K84 VanDerWaalsContact CA-O 3.26Å; E51-K84 WeakPolarHBondContact CA-O 3.49Å; V52-K84 PolarHBondContact N-O 3.23Å; V52-K84 PolarHBondContact O-N 2.84Å; S81-K84 VanDerWaalsContact OG-CE 3.29Å; S81-K84 WeakPolarHBondContact OG-CE 3.21Å; E82-K84 PolarHBondContact O-N 3.3Å
85T88.2Confident86.4Confident69 Ų6953.2 Ų53.242%0.42328%0.277SS..EExtended strand (participates in β ladder)trans-61.8147.5170.946.90000110.2E51 D87E51-T85 HydrophobicContact CG-CG2 4.43Å; T85-D87 PolarHBondContact O-N 3.25Å; T85-D87 VanDerWaalsContact O-N 3.12Å
86V86.3Confident86.7Confident16 Ų1651.4 Ų51.410%0.09728%0.275CS..  trans-71.2112.2-174.7-171.60000110.5L40 R43 I44 V52L40-V86 HydrophobicContact CB-CG1 4.14Å; L40-V86 HydrophobicContact CD2-CG1 3.77Å; L40-V86 HydrophobicContact CD2-CG2 4.33Å; R43-V86 HydrophobicContact CB-CB 4.36Å; R43-V86 HydrophobicContact CB-CG2 3.93Å; I44-V86 HydrophobicContact CD1-CG1 3.88Å; I44-V86 HydrophobicContact CG1-CB 4.14Å; I44-V86 HydrophobicContact CG1-CG1 3.49Å; I44-V86 VanDerWaalsContact CG1-CG1 3.49Å; V52-V86 HydrophobicContact CB-CG2 3.87Å; V52-V86 HydrophobicContact CG2-CG2 3.35Å
87D86.6Confident86.6Confident67 Ų6750.5 Ų50.536%0.35827%0.27SS..  trans-107.1160.9176.4-59.1-36.7000111.6T85 D89 L90 F91T85-D87 PolarHBondContact O-N 3.25Å; T85-D87 VanDerWaalsContact O-N 3.12Å; D87-D89 PolarHBondContact O-N 2.91Å; D87-L90 WeakPolarHBondContact O-CB 3.31Å; D87-L90 PolarHBondContact O-N 3.19Å; D87-L90 VanDerWaalsContact O-N 3.15Å; D87-F91 PolarHBondContact O-N 3.36Å
88W87.5Confident86.2Confident137 Ų13753 Ų5352%0.51929%0.287SS..Hα-helixtrans-61-29.4173.6-67.8107.5000112.8I44 F45 L90 F91 E92I44-W88 HydrophobicContact CD1-CD2 4.18Å; I44-W88 HydrophobicContact CD1-CE3 3.92Å; I44-W88 HydrophobicContact CD1-CH2 4.48Å; I44-W88 HydrophobicContact CD1-CZ3 4.07Å; I44-W88 HydrophobicContact CG2-CD2 4.22Å; I44-W88 HydrophobicContact CG2-CH2 3.85Å; I44-W88 HydrophobicContact CG2-CZ2 3.35Å; I44-W88 HydrophobicContact CG2-CZ3 4.45Å; F45-W88 HydrophobicContact CZ-CH2 4.16Å; W88-L90 VanDerWaalsContact C-N 3.3Å; W88-L90 PolarHBondContact O-N 2.95Å; W88-F91 HydrophobicContact CE3-CB 4.37Å; W88-F91 HydrophobicContact CE3-CD1 4.19Å; W88-F91 HydrophobicContact CE3-CG 4.35Å; W88-F91 HydrophobicContact CZ3-CD1 4.39Å; W88-F91 CarbonylContact O-C 3.54Å; W88-F91 WeakPolarHBondContact O-CA 3.37Å; W88-F91 WeakPolarHBondContact O-CB 3.24Å; W88-F91 PolarHBondContact O-N 3.21Å; W88-E92 PolarHBondContact O-N 3.03Å
89D88.2Confident85.6Confident112 Ų11257.7 Ų57.760%0.59932%0.319SS*.Hα-helixtrans-63.9-36.6176.4-59.1-11.7000111.9D87 F91 E92 S93D87-D89 PolarHBondContact O-N 2.91Å; D89-F91 VanDerWaalsContact C-N 3.33Å; D89-E92 PolarHBondContact O-N 3.36Å; D89-S93 PolarHBondContact O-N 3.2Å
90L86.3Confident85Confident2 Ų259.2 Ų59.21%0.0133%0.33CS..Hα-helixtrans-69.3-36.1173.5179.761.5000110.8L40 L54 D87 W88 S93 V94L40-L90 HydrophobicContact CD1-CG 4.31Å; L40-L90 HydrophobicContact CD2-CD2 3.99Å; L54-L90 HydrophobicContact CB-CD1 4.23Å; L54-L90 HydrophobicContact CD2-CD1 4.26Å; D87-L90 WeakPolarHBondContact O-CB 3.31Å; D87-L90 PolarHBondContact O-N 3.19Å; D87-L90 VanDerWaalsContact O-N 3.15Å; W88-L90 VanDerWaalsContact C-N 3.3Å; W88-L90 PolarHBondContact O-N 2.95Å; L90-S93 PolarHBondContact O-OG 3.42Å; L90-V94 VanDerWaalsContact O-CG2 3.26Å; L90-V94 WeakPolarHBondContact O-CG2 3.4Å; L90-V94 PolarHBondContact O-N 2.65Å
91F87.4Confident84.4Confident27 Ų2764.5 Ų64.512%0.11834%0.343CS..Hα-helixtrans-66.7-39.9175.2-176.8-92.2000111.8K37 L40 K41 I44 D87 W88 D89 V94 C95K37-F91 HydrophobicContact CB-CE2 3.77Å; K37-F91 HydrophobicContact CB-CZ 4.28Å; K37-F91 HydrophobicContact CD-CZ 4.46Å; K37-F91 HydrophobicContact CG-CE2 3.8Å; K37-F91 HydrophobicContact CG-CZ 4.04Å; L40-F91 HydrophobicContact CB-CD2 4.1Å; K41-F91 HydrophobicContact CD-CE2 4.07Å; K41-F91 HydrophobicContact CD-CZ 4.24Å; K41-F91 HydrophobicContact CG-CD2 4.13Å; K41-F91 HydrophobicContact CG-CE2 3.57Å; K41-F91 HydrophobicContact CG-CZ 4.11Å; I44-F91 HydrophobicContact CD1-CB 4.09Å; D87-F91 PolarHBondContact O-N 3.36Å; W88-F91 HydrophobicContact CE3-CB 4.37Å; W88-F91 HydrophobicContact CE3-CD1 4.19Å; W88-F91 HydrophobicContact CE3-CG 4.35Å; W88-F91 HydrophobicContact CZ3-CD1 4.39Å; W88-F91 CarbonylContact O-C 3.54Å; W88-F91 WeakPolarHBondContact O-CA 3.37Å; W88-F91 WeakPolarHBondContact O-CB 3.24Å; W88-F91 PolarHBondContact O-N 3.21Å; D89-F91 VanDerWaalsContact C-N 3.33Å; F91-V94 PolarHBondContact O-N 3.31Å; F91-C95 WeakPolarHBondContact CE1-SG 3.41Å; F91-C95 PolarHBondContact O-N 2.78Å; F91-C95 PolarHBondContact O-SG 2.98Å
92E88.1Confident83.5Confident136 Ų13666.1 Ų66.164%0.63635%0.353SS*.Hα-helixtrans-68.5-39.1176.8-171.7167-159.400111.6W88 D89 V94 C95 S96W88-E92 PolarHBondContact O-N 3.03Å; D89-E92 PolarHBondContact O-N 3.36Å; E92-V94 VanDerWaalsContact C-N 3.31Å; E92-V94 PolarHBondContact O-N 3.09Å; E92-C95 WeakPolarHBondContact O-CB 3.45Å; E92-C95 PolarHBondContact O-N 3Å; E92-C95 VanDerWaalsContact O-N 3.09Å; E92-S96 PolarHBondContact O-N 3.21Å
93S85.9Confident83Confident42 Ų4259.9 Ų59.929%0.29433%0.327SS..Hα-helixtrans-59.7-43174.478.20000111.3D89 L90 C95 S96 L97D89-S93 PolarHBondContact O-N 3.2Å; L90-S93 PolarHBondContact O-OG 3.42Å; S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 2.82Å; S93-S96 PolarHBondContact O-N 3.2Å; S93-S96 VanDerWaalsContact O-N 3.1Å; S93-S96 PolarHBondContact O-OG 3.01Å; S93-L97 WeakPolarHBondContact O-CG 3.24Å; S93-L97 PolarHBondContact O-N 3.3Å
94V86.1Confident82.6Confident0 Ų062.6 Ų62.60%035%0.345CS..Hα-helixtrans-63.1-38.1174.4174.40000111.9I33 V36 K37 L40 L54 L90 F91 E92 S96 L97I33-V94 HydrophobicContact CD1-CG1 4.37Å; V36-V94 HydrophobicContact CB-CG1 4.3Å; V36-V94 HydrophobicContact CG1-CG1 3.87Å; V36-V94 HydrophobicContact CG1-CG2 4.06Å; K37-V94 HydrophobicContact CG-CG1 4.13Å; L40-V94 HydrophobicContact CD1-CB 4.37Å; L40-V94 HydrophobicContact CD1-CG2 3.68Å; L54-V94 HydrophobicContact CD2-CG2 3.76Å; L90-V94 VanDerWaalsContact O-CG2 3.26Å; L90-V94 WeakPolarHBondContact O-CG2 3.4Å; L90-V94 PolarHBondContact O-N 2.65Å; F91-V94 PolarHBondContact O-N 3.31Å; E92-V94 VanDerWaalsContact C-N 3.31Å; E92-V94 PolarHBondContact O-N 3.09Å; V94-S96 PolarHBondContact O-N 3.49Å; V94-L97 HydrophobicContact CB-CD1 4.34Å; V94-L97 HydrophobicContact CG1-CD1 4.33Å; V94-L97 HydrophobicContact CG2-CD1 4.36Å; V94-L97 WeakPolarHBondContact O-CB 3.47Å; V94-L97 PolarHBondContact O-N 3.33Å
95C86.9Confident82Confident53 Ų5362.4 Ų62.436%0.35835%0.348SS..Hα-helixtrans-64.3-28.9174.8-670000112.9F91 E92 S93 P98F91-C95 WeakPolarHBondContact CE1-SG 3.41Å; F91-C95 PolarHBondContact O-N 2.78Å; F91-C95 PolarHBondContact O-SG 2.98Å; E92-C95 WeakPolarHBondContact O-CB 3.45Å; E92-C95 PolarHBondContact O-N 3Å; E92-C95 VanDerWaalsContact O-N 3.09Å; S93-C95 VanDerWaalsContact C-N 3.33Å; S93-C95 PolarHBondContact O-N 2.82Å; C95-P98 WeakPolarHBondContact O-CD 3.47Å
96S85.6Confident81.5Confident62 Ų6259.7 Ų59.743%0.43433%0.331SS..Hα-helixtrans-85.1-14.2178.875.90000114.7E92 S93 V94 S99E92-S96 PolarHBondContact O-N 3.21Å; S93-S96 PolarHBondContact O-N 3.2Å; S93-S96 VanDerWaalsContact O-N 3.1Å; S93-S96 PolarHBondContact O-OG 3.01Å; V94-S96 PolarHBondContact O-N 3.49Å; S96-S99 WeakPolarHBondContact O-CB 3.25Å; S96-S99 PolarHBondContact O-N 3.36Å
97L81.4Confident81.4Confident9 Ų960.7 Ų60.75%0.04734%0.336CS..G310 helixtrans-55.4-33.6-178.5-69176.4000115.8L12 R19 F29 I33 L54 L56 S93 V94 S99 T100L12-L97 HydrophobicContact CD2-CD1 3.74Å; R19-L97 PolarHBondContact NH2-O 3.33Å; F29-L97 HydrophobicContact CZ-CB 4.47Å; I33-L97 HydrophobicContact CD1-CB 3.94Å; I33-L97 HydrophobicContact CD1-CD1 3.92Å; L54-L97 HydrophobicContact CD2-CD1 4.41Å; L56-L97 HydrophobicContact CD1-CD2 3.56Å; L56-L97 HydrophobicContact CD2-CD1 4.07Å; L56-L97 HydrophobicContact CD2-CD2 4.29Å; S93-L97 WeakPolarHBondContact O-CG 3.24Å; S93-L97 PolarHBondContact O-N 3.3Å; V94-L97 HydrophobicContact CB-CD1 4.34Å; V94-L97 HydrophobicContact CG1-CD1 4.33Å; V94-L97 HydrophobicContact CG2-CD1 4.36Å; V94-L97 WeakPolarHBondContact O-CB 3.47Å; V94-L97 PolarHBondContact O-N 3.33Å; L97-S99 PolarHBondContact O-N 2.92Å; L97-S99 VanDerWaalsContact O-N 3.07Å; L97-T100 HydrophobicContact CD2-CG2 4.35Å; L97-T100 PolarHBondContact O-N 3.15Å; L97-T100 VanDerWaalsContact O-N 3.07Å; L97-T100 PolarHBondContact O-OG1 3.33Å
98P76.1Confident81.2Confident53 Ų5357.7 Ų57.734%0.34432%0.32SS..G310 helixtrans-57.3-25.9175.6-25.535.1000113.8R19 F29 C95R19-P98 PolarHBondContact NH1-O 3.42Å; F29-P98 HydrophobicContact CE1-CB 4.23Å; F29-P98 HydrophobicContact CE1-CG 4.19Å; C95-P98 WeakPolarHBondContact O-CD 3.47Å
99S73.4Confident81.1Confident111 Ų11151.2 Ų51.278%0.77630%0.295SS*.G310 helixtrans-87.4-6.8-179.1-520000113.9S96 L97S96-S99 WeakPolarHBondContact O-CB 3.25Å; S96-S99 PolarHBondContact O-N 3.36Å; L97-S99 PolarHBondContact O-N 2.92Å; L97-S99 VanDerWaalsContact O-N 3.07Å
100T73.1Confident80.8Confident52 Ų5248.6 Ų48.632%0.31928%0.277SS..SBendtrans-76.2151.2-178.157.30000111.9R19 L97R19-T100 PolarHBondContact NH1-O 3.01Å; R19-T100 PolarHBondContact NH2-O 3.17Å; L97-T100 HydrophobicContact CD2-CG2 4.35Å; L97-T100 PolarHBondContact O-N 3.15Å; L97-T100 VanDerWaalsContact O-N 3.07Å; L97-T100 PolarHBondContact O-OG1 3.33Å
101K72.5Confident80.8Confident164 Ų16448.5 Ų48.571%0.71328%0.276SS*.PPolyproline II helixtrans-71.8139.9176.3-63.1-175179.6-178.80111.1D60D60-K101 VanDerWaalsContact OD2-CB 3.24Å; D60-K101 WeakPolarHBondContact OD2-CB 3.44Å
102C70.1Confident80.8Confident45 Ų4547.2 Ų47.230%0.30427%0.271SS..BIsolated β-bridgetrans-89.1135.2174.8-62.70000110.4V14 R19V14-C102 PolarHBondContact O-SG 3.26Å; R19-C102 VanDerWaalsContact CD-SG 3.59Å; R19-C102 PolarHBondContact NE-SG 3.31Å
103G76.1Confident80.7Confident9 Ų941.8 Ų41.89%0.09325%0.247CC..  trans-88-167.2165.500000111.7P16 G58 D60P16-G103 WeakPolarHBondContact CD-O 3.45Å; G58-G103 PolarHBondContact O-N 3.4Å; D60-G103 WeakPolarHBondContact OD1-CA 3.34Å; D60-G103 PolarHBondContact OD1-N 3.15Å
104P79.9Confident80.8Confident76 Ų7639.8 Ų39.849%0.49423%0.233SC..SBendtrans-63.8152.5169.429.1-34.6000111.1N76 V106N76-P104 WeakPolarHBondContact OD1-CG 3.31Å; P104-V106 PolarHBondContact O-N 3.4Å
105D76.7Confident80.9Confident68 Ų6839.8 Ų39.836%0.36423%0.233SC..  trans-59.1129.9172-80.9-44.5000110.2P16 S17 V141P16-D105 WeakPolarHBondContact CD-OD1 3.22Å; P16-D105 WeakPolarHBondContact CG-OD1 3.27Å; S17-D105 WeakPolarHBondContact CB-OD1 3.25Å; S17-D105 PolarHBondContact N-OD1 3.08Å; S17-D105 PolarHBondContact OG-OD1 3Å; D105-V141 HydrophobicContact CB-CG2 3.68Å
106V78.3Confident81Confident12 Ų1237.3 Ų37.37%0.07322%0.217CC..  trans-110.5141.6-179.4-179.50000109.3N76 V77 P104 F108 R110N76-V106 HydrophobicContact CB-CG2 3.47Å; N76-V106 VanDerWaalsContact CB-CG2 3.47Å; V77-V106 HydrophobicContact CG2-CG1 3.96Å; P104-V106 PolarHBondContact O-N 3.4Å; V106-F108 PolarHBondContact O-N 2.85Å; V106-R110 HydrophobicContact CG1-CB 4.41Å
107D82.7Confident81Confident37 Ų3736.8 Ų36.820%0.19821%0.21CC..  trans-63.3127.7172.9179.6-4.8000111.3C109 R110 A111 I143D107-C109 PolarHBondContact O-N 2.86Å; D107-C109 WeakPolarHBondContact OD1-CB 3.45Å; D107-C109 PolarHBondContact OD1-N 3.4Å; D107-R110 HydrophobicContact CB-CG 4.01Å; D107-R110 WeakPolarHBondContact O-CB 3.37Å; D107-R110 PolarHBondContact O-N 3.18Å; D107-R110 VanDerWaalsContact O-N 3.09Å; D107-A111 PolarHBondContact O-N 3.38Å; D107-I143 WeakPolarHBondContact OD1-CD1 3.27Å; D107-I143 VanDerWaalsContact OD1-CG1 3.29Å; D107-I143 WeakPolarHBondContact OD1-CG1 3.43Å
108F83.8Confident81.3Confident5 Ų537.8 Ų37.82%0.02221%0.214CC..Hα-helixtrans-62.2-27.8178.770.6-108.5000112.8F57 V106 R110 A111 L112 L135 F139 I143 V179F57-F108 HydrophobicContact CE2-CB 4.35Å; F57-F108 HydrophobicContact CZ-CB 4.47Å; V106-F108 PolarHBondContact O-N 2.85Å; F108-R110 PolarHBondContact O-N 3.31Å; F108-A111 PolarHBondContact O-N 2.98Å; F108-L112 HydrophobicContact CD2-CD1 3.81Å; F108-L112 HydrophobicContact CE2-CD1 4.27Å; F108-L112 WeakPolarHBondContact O-CB 3.39Å; F108-L112 WeakPolarHBondContact O-CG 3.46Å; F108-L112 PolarHBondContact O-N 3.33Å; F108-L135 HydrophobicContact CB-CD1 4.46Å; F108-L135 HydrophobicContact CB-CD2 4.3Å; F108-L135 HydrophobicContact CD2-CD2 4.15Å; F108-L135 HydrophobicContact CG-CD2 4.38Å; F108-F139 AromaticContact CD1-CD1 3.58Å; F108-F139 HydrophobicContact CD1-CD1 3.58Å; F108-F139 HydrophobicContact CD1-CE1 4.24Å; F108-F139 HydrophobicContact CE1-CB 4.46Å; F108-F139 AromaticContact CE1-CD1 3.7Å; F108-F139 HydrophobicContact CE1-CD1 3.7Å; F108-F139 HydrophobicContact CE1-CE1 4.48Å; F108-F139 HydrophobicContact CE1-CG 4.46Å; F108-F139 HydrophobicContact CG-CD1 4.24Å; F108-F139 HydrophobicContact CG-CE1 4.47Å; F108-I143 HydrophobicContact CD1-CD1 3.31Å; F108-I143 HydrophobicContact CD2-CD1 4.34Å; F108-I143 HydrophobicContact CE1-CD1 2.91Å; F108-I143 HydrophobicContact CE1-CG1 4.32Å; F108-I143 HydrophobicContact CE2-CD1 3.98Å; F108-I143 HydrophobicContact CG-CD1 4.04Å; F108-I143 HydrophobicContact CZ-CD1 3.25Å; F108-V179 HydrophobicContact CE1-CG2 3.8Å; F108-V179 HydrophobicContact CE2-CG2 4.19Å; F108-V179 HydrophobicContact CZ-CG2 3.48Å; F108-V179 VanDerWaalsContact CZ-CG2 3.48Å
109C83.9Confident81.8Confident1 Ų135.3 Ų35.31%0.00720%0.198CC..Hα-helixtrans-58.9-40.1175.2-72.20000110.4D107 L112 T113D107-C109 PolarHBondContact O-N 2.86Å; D107-C109 WeakPolarHBondContact OD1-CB 3.45Å; D107-C109 PolarHBondContact OD1-N 3.4Å; C109-L112 PolarHBondContact O-N 3.02Å; C109-T113 PolarHBondContact O-N 3.4Å; C109-T113 PolarHBondContact O-OG1 3.38Å
110R82.1Confident82.4Confident56 Ų5632.3 Ų32.321%0.21118%0.175CC..Hα-helixtrans-66.1-43.5177.5-54.5-178.870.774.135.3111.2E73 Y74 V106 D107 F108 L112 T113 V114E73-R110 PolarHBondContact O-NE 2.68Å; E73-R110 PolarHBondContact O-NH2 3.47Å; E73-R110 IonicContact OE2-CZ 3.45Å; E73-R110 IonicContact OE2-NH1 3.79Å; E73-R110 PolarHBondContact OE2-NH1 3.23Å; E73-R110 VanDerWaalsContact OE2-NH1 3.08Å; E73-R110 IonicContact OE2-NH2 2.83Å; E73-R110 PolarHBondContact OE2-NH2 2.91Å; Y74-R110 HydrophobicContact CD1-CB 4.3Å; Y74-R110 HydrophobicContact CE1-CB 4.29Å; V106-R110 HydrophobicContact CG1-CB 4.41Å; D107-R110 HydrophobicContact CB-CG 4.01Å; D107-R110 WeakPolarHBondContact O-CB 3.37Å; D107-R110 PolarHBondContact O-N 3.18Å; D107-R110 VanDerWaalsContact O-N 3.09Å; F108-R110 PolarHBondContact O-N 3.31Å; R110-L112 VanDerWaalsContact C-N 3.33Å; R110-T113 PolarHBondContact O-N 2.89Å; R110-V114 WeakPolarHBondContact O-CG2 3.26Å; R110-V114 PolarHBondContact O-N 2.85Å; R110-V114 VanDerWaalsContact O-N 3.08Å
111A86.3Confident83Confident0 Ų035.2 Ų35.20%019%0.185CC..Hα-helixtrans-62.1-41.9175.900000111.4L55 F57 D107 F108 V114 A115L55-A111 WeakPolarHBondContact CD2-O 3.43Å; F57-A111 HydrophobicContact CB-CB 3.8Å; F57-A111 HydrophobicContact CD1-CB 3.53Å; F57-A111 HydrophobicContact CD2-CB 4.08Å; F57-A111 HydrophobicContact CE1-CB 4.05Å; F57-A111 HydrophobicContact CG-CB 3.54Å; F57-A111 HydrophobicContact CZ-CB 4.5Å; D107-A111 PolarHBondContact O-N 3.38Å; F108-A111 PolarHBondContact O-N 2.98Å; A111-V114 PolarHBondContact O-N 3.49Å; A111-A115 VanDerWaalsContact O-CB 3.29Å; A111-A115 WeakPolarHBondContact O-CB 3.4Å; A111-A115 PolarHBondContact O-N 2.88Å
112L87.5Confident83.6Confident0 Ų028.6 Ų28.60%016%0.161CC..Hα-helixtrans-63.2-43.6175.7-73.7173.9000112.1F108 C109 R110 V114 A115 A116 L133 L135 L150 L161 L182F108-L112 HydrophobicContact CD2-CD1 3.81Å; F108-L112 HydrophobicContact CE2-CD1 4.27Å; F108-L112 WeakPolarHBondContact O-CB 3.39Å; F108-L112 WeakPolarHBondContact O-CG 3.46Å; F108-L112 PolarHBondContact O-N 3.33Å; C109-L112 PolarHBondContact O-N 3.02Å; R110-L112 VanDerWaalsContact C-N 3.33Å; L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 2.86Å; L112-A115 PolarHBondContact O-N 3.26Å; L112-A116 VanDerWaalsContact O-CB 3.24Å; L112-A116 WeakPolarHBondContact O-CB 3.32Å; L112-A116 PolarHBondContact O-N 3.28Å; L112-L133 HydrophobicContact CD2-CD1 4.38Å; L112-L133 HydrophobicContact CD2-CD2 3.64Å; L112-L133 HydrophobicContact CD2-CG 4.08Å; L112-L135 HydrophobicContact CD1-CD2 4.09Å; L112-L135 HydrophobicContact CD2-CB 4.38Å; L112-L135 HydrophobicContact CD2-CD1 4.5Å; L112-L135 HydrophobicContact CD2-CD2 4.11Å; L112-L135 HydrophobicContact CG-CD2 4.19Å; L112-L150 HydrophobicContact CB-CD1 4Å; L112-L150 HydrophobicContact CB-CD2 3.87Å; L112-L150 HydrophobicContact CD1-CD2 4.1Å; L112-L161 HydrophobicContact CD2-CD1 4.09Å; L112-L182 HydrophobicContact CD1-CD2 3.98Å
113T86.6Confident84.2Confident22 Ų2226.7 Ų26.714%0.13515%0.148CC..Hα-helixtrans-61.2-43.4177-57.10000111.6Y74 C109 R110 T117Y74-T113 HydrophobicContact CE1-CG2 4.45Å; C109-T113 PolarHBondContact O-N 3.4Å; C109-T113 PolarHBondContact O-OG1 3.38Å; R110-T113 PolarHBondContact O-N 2.89Å; T113-T117 WeakPolarHBondContact O-CB 3.5Å; T113-T117 PolarHBondContact O-N 3.45Å; T113-T117 PolarHBondContact O-OG1 3.02Å
114V86.9Confident84.4Confident1 Ų133.6 Ų33.61%0.00618%0.178CC..Hα-helixtrans-63.4-46.6175.61760000110.8L55 N64 F66 Y74 V77 R110 A111 L112 Y118L55-V114 HydrophobicContact CD1-CG1 4.2Å; L55-V114 HydrophobicContact CD2-CG1 4.4Å; N64-V114 HydrophobicContact CB-CG1 3.97Å; F66-V114 HydrophobicContact CD2-CB 4.44Å; F66-V114 HydrophobicContact CD2-CG1 4.45Å; F66-V114 HydrophobicContact CD2-CG2 3.83Å; F66-V114 HydrophobicContact CE2-CB 4.49Å; F66-V114 HydrophobicContact CE2-CG2 4.19Å; Y74-V114 HydrophobicContact CD1-CG2 3.45Å; Y74-V114 VanDerWaalsContact CD1-CG2 3.45Å; Y74-V114 HydrophobicContact CE1-CG2 3.99Å; Y74-V114 HydrophobicContact CG-CG2 4.15Å; V77-V114 HydrophobicContact CG1-CB 4.25Å; V77-V114 HydrophobicContact CG1-CG1 4.09Å; V77-V114 HydrophobicContact CG1-CG2 4.31Å; R110-V114 WeakPolarHBondContact O-CG2 3.26Å; R110-V114 PolarHBondContact O-N 2.85Å; R110-V114 VanDerWaalsContact O-N 3.08Å; A111-V114 PolarHBondContact O-N 3.49Å; L112-V114 VanDerWaalsContact C-N 3.34Å; L112-V114 PolarHBondContact O-N 2.86Å; V114-Y118 VanDerWaalsContact O-CB 3.24Å; V114-Y118 WeakPolarHBondContact O-CB 3.31Å; V114-Y118 PolarHBondContact O-N 3.3Å
115A88.9Confident84.3Confident0 Ų034.6 Ų34.60%019%0.192CC..Hα-helixtrans-64.1-46.9-179.100000112.5I9 C11 L55 A111 L112 Y118 L119 L133I9-A115 HydrophobicContact CD1-CB 4Å; I9-A115 HydrophobicContact CG1-CB 4.49Å; I9-A115 HydrophobicContact CG2-CB 4.19Å; C11-A115 WeakPolarHBondContact SG-CB 3.39Å; L55-A115 HydrophobicContact CD2-CB 3.83Å; A111-A115 VanDerWaalsContact O-CB 3.29Å; A111-A115 WeakPolarHBondContact O-CB 3.4Å; A111-A115 PolarHBondContact O-N 2.88Å; L112-A115 PolarHBondContact O-N 3.26Å; A115-Y118 PolarHBondContact O-N 3.46Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 PolarHBondContact O-N 2.87Å; A115-L133 HydrophobicContact CB-CD1 3.57Å
116A88.2Confident84.5Confident1 Ų136.1 Ų36.11%0.00820%0.195CC..Hα-helixtrans-63.6-46.9179.600000110.9L112 L119 V120 L154 L159L112-A116 VanDerWaalsContact O-CB 3.24Å; L112-A116 WeakPolarHBondContact O-CB 3.32Å; L112-A116 PolarHBondContact O-N 3.28Å; A116-L119 PolarHBondContact O-N 3.49Å; A116-V120 WeakPolarHBondContact O-CG2 3.34Å; A116-V120 PolarHBondContact O-N 3.35Å; A116-L154 HydrophobicContact CB-CD2 4.11Å; A116-L159 HydrophobicContact CB-CD1 3.89Å
117T86.2Confident84.5Confident50 Ų5047 Ų4731%0.30724%0.235SC..Hα-helixtrans-63.2-45.8178.7-53.80000111.4F66 T113 L119 V120 Q121F66-T117 HydrophobicContact CE2-CG2 4.03Å; F66-T117 HydrophobicContact CZ-CG2 3.68Å; T113-T117 WeakPolarHBondContact O-CB 3.5Å; T113-T117 PolarHBondContact O-N 3.45Å; T113-T117 PolarHBondContact O-OG1 3.02Å; T117-L119 PolarHBondContact O-N 2.96Å; T117-V120 PolarHBondContact O-N 2.96Å; T117-Q121 WeakPolarHBondContact O-CB 3.41Å; T117-Q121 PolarHBondContact O-N 3.28Å
118Y88.2Confident84.5Confident31 Ų3146.8 Ų46.812%0.12223%0.233CC..Hα-helixtrans-61.7-43.1177175.1-98.2000111.8I9 A53 P65 L79 E82 L83 V114 A115 V120 Q121 A122I9-Y118 HydrophobicContact CD1-CD1 3.78Å; I9-Y118 HydrophobicContact CD1-CE1 4.38Å; A53-Y118 HydrophobicContact CB-CE1 4.17Å; P65-Y118 HydrophobicContact CG-CD2 4.28Å; L79-Y118 HydrophobicContact CD1-CD1 4.44Å; L79-Y118 HydrophobicContact CD1-CE1 4.17Å; L79-Y118 HydrophobicContact CD2-CD2 4.15Å; L79-Y118 HydrophobicContact CD2-CE1 4.21Å; L79-Y118 HydrophobicContact CD2-CE2 3.56Å; E82-Y118 WeakPolarHBondContact CA-OH 3.46Å; E82-Y118 WeakPolarHBondContact CB-OH 3.3Å; L83-Y118 PolarHBondContact N-OH 3.46Å; V114-Y118 VanDerWaalsContact O-CB 3.24Å; V114-Y118 WeakPolarHBondContact O-CB 3.31Å; V114-Y118 PolarHBondContact O-N 3.3Å; A115-Y118 PolarHBondContact O-N 3.46Å; Y118-V120 PolarHBondContact O-N 3.47Å; Y118-Q121 PolarHBondContact O-N 3.2Å; Y118-A122 HydrophobicContact CE1-CB 4.35Å; Y118-A122 VanDerWaalsContact O-CB 3.3Å; Y118-A122 WeakPolarHBondContact O-CB 3.37Å; Y118-A122 PolarHBondContact O-N 2.96Å
119L87Confident84.4Confident1 Ų149 Ų491%0.00525%0.252CS..Hα-helixtrans-65.2-40.1179.5-17161.4000111.5A7 I9 A115 A116 T117 T123 R131 L159A7-L119 HydrophobicContact CB-CD1 4Å; I9-L119 HydrophobicContact CG2-CD2 4.02Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 PolarHBondContact O-N 2.87Å; A116-L119 PolarHBondContact O-N 3.49Å; T117-L119 PolarHBondContact O-N 2.96Å; L119-T123 HydrophobicContact CD1-CG2 4.1Å; L119-T123 HydrophobicContact CG-CG2 4.46Å; L119-T123 VanDerWaalsContact O-CB 3.29Å; L119-T123 WeakPolarHBondContact O-CB 3.29Å; L119-T123 WeakPolarHBondContact O-CG2 3.33Å; L119-T123 PolarHBondContact O-N 3.31Å; L119-T123 VanDerWaalsContact O-N 3.08Å; L119-T123 PolarHBondContact O-OG1 3.29Å; L119-R131 HydrophobicContact CD2-CB 4.18Å; L119-L159 HydrophobicContact CD2-CD1 4.49Å; L119-L159 HydrophobicContact CD2-CD2 3.49Å; L119-L159 VanDerWaalsContact CD2-CD2 3.49Å; L119-L159 HydrophobicContact CG-CD2 4.14Å
120V86Confident84.5Confident48 Ų4853.2 Ų53.229%0.29127%0.271SS..Hα-helixtrans-62.9-45.7173.1172.40000110.6A116 T117 Y118 T123 Q124A116-V120 WeakPolarHBondContact O-CG2 3.34Å; A116-V120 PolarHBondContact O-N 3.35Å; T117-V120 PolarHBondContact O-N 2.96Å; Y118-V120 PolarHBondContact O-N 3.47Å; V120-T123 PolarHBondContact O-N 3.1Å; V120-T123 PolarHBondContact O-OG1 3.41Å; V120-Q124 WeakPolarHBondContact O-CG 3.45Å; V120-Q124 PolarHBondContact O-N 2.81Å
121Q85.4Confident84.8Confident112 Ų11254.1 Ų54.152%0.52328%0.275SS..Hα-helixtrans-64.1-48.2179.2-175180-4.300112.4T117 Y118 T123 Q124T117-Q121 WeakPolarHBondContact O-CB 3.41Å; T117-Q121 PolarHBondContact O-N 3.28Å; Y118-Q121 PolarHBondContact O-N 3.2Å; Q121-T123 VanDerWaalsContact C-N 3.29Å; Q121-T123 PolarHBondContact O-N 2.9Å; Q121-Q124 PolarHBondContact O-N 2.89Å
122A84Confident85Confident26 Ų2654.7 Ų54.722%0.21528%0.279CS..Hα-helixtrans-66-30.9-178.600000112.6L83 Y118L83-A122 HydrophobicContact CD2-CB 4.12Å; Y118-A122 HydrophobicContact CE1-CB 4.35Å; Y118-A122 VanDerWaalsContact O-CB 3.3Å; Y118-A122 WeakPolarHBondContact O-CB 3.37Å; Y118-A122 PolarHBondContact O-N 2.96Å
123T83.7Confident85.2Confident5 Ų554.7 Ų54.73%0.03128%0.279CS..THydrogen-bonded Turntrans-86.5-1.8179.863.20000114A7 L119 V120 Q121 A125 F128 R131A7-T123 HydrophobicContact CB-CG2 3.99Å; L119-T123 HydrophobicContact CD1-CG2 4.1Å; L119-T123 HydrophobicContact CG-CG2 4.46Å; L119-T123 VanDerWaalsContact O-CB 3.29Å; L119-T123 WeakPolarHBondContact O-CB 3.29Å; L119-T123 WeakPolarHBondContact O-CG2 3.33Å; L119-T123 PolarHBondContact O-N 3.31Å; L119-T123 VanDerWaalsContact O-N 3.08Å; L119-T123 PolarHBondContact O-OG1 3.29Å; V120-T123 PolarHBondContact O-N 3.1Å; V120-T123 PolarHBondContact O-OG1 3.41Å; Q121-T123 VanDerWaalsContact C-N 3.29Å; Q121-T123 PolarHBondContact O-N 2.9Å; T123-A125 VanDerWaalsContact C-N 3.34Å; T123-F128 HydrophobicContact CG2-CD2 3.66Å; T123-F128 HydrophobicContact CG2-CE2 3.79Å; T123-R131 HydrophobicContact CG2-CG 4.24Å; T123-R131 PolarHBondContact OG1-NE 2.61Å; T123-R131 PolarHBondContact OG1-NH2 3.31Å
124Q80.5Confident85.5Confident154 Ų15454.2 Ų54.272%0.7228%0.276SS*.THydrogen-bonded Turntrans-68.4-34.1172.6-77.5171.315.600112.3V120 Q121V120-Q124 WeakPolarHBondContact O-CG 3.45Å; V120-Q124 PolarHBondContact O-N 2.81Å; Q121-Q124 PolarHBondContact O-N 2.89Å
125A77.1Confident85.7Confident97 Ų9754.2 Ų54.280%0.80228%0.276SS*.SBendtrans-83.5-24.8-17700000113.8T123T123-A125 VanDerWaalsContact C-N 3.34Å
126K80.6Confident85.8Confident99 Ų9954.2 Ų54.243%0.4328%0.276SS..SBendtrans-128.5141.6-172.9-64.2179.6-174.3174.20111E51 F128E51-K126 VanDerWaalsContact CD-NZ 3.25Å; E51-K126 IonicContact OE1-NZ 2.81Å; E51-K126 PolarHBondContact OE1-NZ 2.77Å; E51-K126 IonicContact OE2-NZ 2.9Å; E51-K126 PolarHBondContact OE2-NZ 2.99Å; K126-F128 HydrophobicContact CB-CD2 4.31Å; K126-F128 HydrophobicContact CB-CE2 3.62Å; K126-F128 HydrophobicContact CB-CZ 4.1Å; K126-F128 HydrophobicContact CD-CE2 4.4Å; K126-F128 HydrophobicContact CD-CZ 4.14Å; K126-F128 WeakPolarHBondContact O-CD2 3.49Å
127R79.4Confident85.8Confident241 Ų24154.3 Ų54.391%0.90928%0.276SS*.  trans-85127.4174.3-69.7-173.5179-179.4-0.2111
128F82.6Confident85.5Confident32 Ų3252 Ų5214%0.1426%0.262CS..  trans-120.8150.8172.2-63.6-89000109.5K5 A7 E51 L83 T123 K126K5-F128 HydrophobicContact CB-CD1 4.37Å; K5-F128 HydrophobicContact CD-CD1 4.01Å; K5-F128 HydrophobicContact CD-CE1 3.87Å; K5-F128 HydrophobicContact CG-CD1 3.88Å; K5-F128 HydrophobicContact CG-CE1 4.08Å; K5-F128 CarbonylContact O-C 3.57Å; K5-F128 WeakPolarHBondContact O-CA 3.34Å; A7-F128 HydrophobicContact CB-CB 4.28Å; A7-F128 HydrophobicContact CB-CD1 3.58Å; A7-F128 HydrophobicContact CB-CD2 3.93Å; A7-F128 HydrophobicContact CB-CE1 3.73Å; A7-F128 HydrophobicContact CB-CE2 4.06Å; A7-F128 HydrophobicContact CB-CG 3.67Å; A7-F128 HydrophobicContact CB-CZ 3.97Å; E51-F128 HydrophobicContact CB-CE1 4.24Å; E51-F128 HydrophobicContact CG-CE1 4.3Å; E51-F128 WeakPolarHBondContact OE2-CZ 3.43Å; L83-F128 HydrophobicContact CD2-CE2 4.15Å; L83-F128 HydrophobicContact CD2-CZ 3.76Å; T123-F128 HydrophobicContact CG2-CD2 3.66Å; T123-F128 HydrophobicContact CG2-CE2 3.79Å; K126-F128 HydrophobicContact CB-CD2 4.31Å; K126-F128 HydrophobicContact CB-CE2 3.62Å; K126-F128 HydrophobicContact CB-CZ 4.1Å; K126-F128 HydrophobicContact CD-CE2 4.4Å; K126-F128 HydrophobicContact CD-CZ 4.14Å; K126-F128 WeakPolarHBondContact O-CD2 3.49Å
129A82.1Confident85.1Confident52 Ų5250.5 Ų50.543%0.4326%0.256SS..SBendtrans-72.9-42.117500000111C3 K5C3-A129 WeakPolarHBondContact O-CB 3.42Å; K5-A129 WeakPolarHBondContact O-CB 3.06Å; K5-A129 PolarHBondContact O-N 3.36Å
130Q84.7Confident84.4Confident89 Ų8952.7 Ų52.742%0.41627%0.272SS..EExtended strand (participates in β ladder)trans-140.4153.6-176.6-75.3175.4-55.200110.5E6 A7 E160E6-Q130 HydrophobicContact CG-CB 4.06Å; A7-Q130 PolarHBondContact N-O 2.72Å; Q130-E160 PolarHBondContact NE2-OE1 2.85Å
131R88.8Confident83.7Confident76 Ų7651.8 Ų51.829%0.28727%0.266SS..EExtended strand (participates in β ladder)trans-128.8109.1178.6-62.9174.9-176.9159.4-7107.4A7 L119 T123 G157 L159 E160A7-R131 CarbonylContact O-C 3.51Å; A7-R131 WeakPolarHBondContact O-CA 3.4Å; L119-R131 HydrophobicContact CD2-CB 4.18Å; T123-R131 HydrophobicContact CG2-CG 4.24Å; T123-R131 PolarHBondContact OG1-NE 2.61Å; T123-R131 PolarHBondContact OG1-NH2 3.31Å; R131-G157 PolarHBondContact NH1-O 3.12Å; R131-L159 HydrophobicContact CB-CD2 3.4Å; R131-L159 HydrophobicContact CG-CD2 4.28Å; R131-L159 WeakPolarHBondContact O-CA 3.48Å; R131-E160 PolarHBondContact O-N 2.98Å
132S91.2Very high82.7Confident11 Ų1152.7 Ų52.78%0.07727%0.27CS..EExtended strand (participates in β ladder)trans-113.9135.2-173.5-174.40000110.8E6 A7 I8 I9 E160E6-S132 WeakPolarHBondContact OE1-CB 3.48Å; A7-S132 PolarHBondContact O-N 3.29Å; I8-S132 VanDerWaalsContact CA-O 3.3Å; I8-S132 WeakPolarHBondContact CA-O 3.49Å; I9-S132 PolarHBondContact N-O 3.06Å; S132-E160 CarbonylContact C-O 3.58Å; S132-E160 WeakPolarHBondContact CA-O 3.34Å
133L91.9Very high81.7Confident0 Ų052.3 Ų52.30%026%0.264CS..EExtended strand (participates in β ladder)trans-118.3111.4-179.1175.360.6000107.6I9 L112 A115 L154 E160 L161 A162I9-L133 HydrophobicContact CG2-CB 4.42Å; I9-L133 HydrophobicContact CG2-CD1 3.3Å; I9-L133 HydrophobicContact CG2-CG 4.45Å; L112-L133 HydrophobicContact CD2-CD1 4.38Å; L112-L133 HydrophobicContact CD2-CD2 3.64Å; L112-L133 HydrophobicContact CD2-CG 4.08Å; A115-L133 HydrophobicContact CB-CD1 3.57Å; L133-L154 HydrophobicContact CD2-CD2 3.66Å; L133-E160 PolarHBondContact N-O 3.19Å; L133-L161 HydrophobicContact CB-CD1 4.38Å; L133-L161 HydrophobicContact CD2-CD1 3.96Å; L133-L161 HydrophobicContact CG-CD1 3.94Å; L133-A162 PolarHBondContact O-N 3.22Å
134V92Very high80.6Confident13 Ų1358.8 Ų58.88%0.07930%0.304CS..EExtended strand (participates in β ladder)trans-105.8116.6-178.3-173.40000109.4I8 I9 C11 L136 A162 I164I8-V134 HydrophobicContact CG2-CG2 4.04Å; I9-V134 PolarHBondContact O-N 2.9Å; C11-V134 PolarHBondContact N-O 2.85Å; V134-L136 HydrophobicContact CG1-CD1 3.93Å; V134-A162 CarbonylContact C-O 3.59Å; V134-A162 VanDerWaalsContact CA-O 3.25Å; V134-A162 WeakPolarHBondContact CA-O 3.41Å; V134-A162 HydrophobicContact CG2-CB 4.33Å; V134-I164 HydrophobicContact CG1-CD1 4.06Å; V134-I164 HydrophobicContact CG1-CG1 4.49Å
135L91.6Very high79.8Confident1 Ų156.1 Ų56.11%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-106.4125.7177.9179.664.7000110.7C11 F57 F108 L112 F139 A162 I164C11-L135 HydrophobicContact CB-CD1 3.81Å; F57-L135 HydrophobicContact CE1-CD1 3.78Å; F57-L135 HydrophobicContact CZ-CD1 3.75Å; F108-L135 HydrophobicContact CB-CD1 4.46Å; F108-L135 HydrophobicContact CB-CD2 4.3Å; F108-L135 HydrophobicContact CD2-CD2 4.15Å; F108-L135 HydrophobicContact CG-CD2 4.38Å; L112-L135 HydrophobicContact CD1-CD2 4.09Å; L112-L135 HydrophobicContact CD2-CB 4.38Å; L112-L135 HydrophobicContact CD2-CD1 4.5Å; L112-L135 HydrophobicContact CD2-CD2 4.11Å; L112-L135 HydrophobicContact CG-CD2 4.19Å; L135-F139 HydrophobicContact CD2-CE1 3.77Å; L135-F139 HydrophobicContact CD2-CZ 4.34Å; L135-F139 HydrophobicContact CG-CE1 4.27Å; L135-A162 PolarHBondContact N-O 3.07Å; L135-I164 PolarHBondContact O-N 3.41Å
136L90.9Very high79.2Confident0 Ų053.9 Ų53.90%027%0.272CS..EExtended strand (participates in β ladder)trans-119112.2174.3-59.999.5000110.4I10 C11 L12 D13 A32 C35 V36 V134 I164 F193I10-L136 HydrophobicContact CG2-CD1 3.55Å; C11-L136 PolarHBondContact O-N 2.98Å; L12-L136 HydrophobicContact CD1-CB 4Å; D13-L136 WeakPolarHBondContact CB-O 3.42Å; D13-L136 PolarHBondContact N-O 3.02Å; A32-L136 HydrophobicContact CB-CB 4.37Å; A32-L136 HydrophobicContact CB-CD2 4.11Å; C35-L136 HydrophobicContact CB-CD2 3.93Å; V36-L136 HydrophobicContact CG2-CD1 4Å; V36-L136 HydrophobicContact CG2-CD2 4.02Å; V134-L136 HydrophobicContact CG1-CD1 3.93Å; L136-I164 WeakPolarHBondContact CA-O 3.45Å; L136-I164 HydrophobicContact CD2-CB 4.21Å; L136-I164 HydrophobicContact CD2-CD1 4.02Å; L136-I164 HydrophobicContact CD2-CG2 4.36Å; L136-I164 HydrophobicContact CG-CB 4.08Å; L136-I164 HydrophobicContact CG-CD1 4.23Å; L136-F193 HydrophobicContact CD2-CE1 4.49Å
137S87.3Confident78.8Confident2 Ų253 Ų531%0.01427%0.273CS..  trans-158.6162.1178.1178.80000112D13 F139 I164 P166D13-S137 WeakPolarHBondContact OD2-CB 3.25Å; D13-S137 PolarHBondContact OD2-OG 2.99Å; S137-F139 WeakPolarHBondContact O-CE2 3.25Å; S137-F139 PolarHBondContact OG-N 3.22Å; S137-I164 PolarHBondContact N-O 2.96Å; S137-P166 WeakPolarHBondContact O-CD 3.38Å
138C80.6Confident78.6Confident1 Ų151.1 Ų51.11%0.00727%0.265CS..  trans-85.8-9.5170.164.60000113.1M18 F28 S140 S173M18-C138 HydrophobicContact SD-CB 3.57Å; M18-C138 VanDerWaalsContact SD-CB 3.57Å; M18-C138 PolarHBondContact SD-N 2.64Å; F28-C138 HydrophobicContact CD2-CB 4.25Å; C138-S140 PolarHBondContact O-N 3.17Å; C138-S140 VanDerWaalsContact O-N 3.13Å; C138-S140 PolarHBondContact SG-OG 3.08Å; C138-S173 PolarHBondContact O-OG 2.75Å
139F80.1Confident78.4Confident1 Ų155.2 Ų55.20%0.00429%0.289CS..  trans54.828.4-179.8-45.8-61.7000114.7F108 L135 S137 V141 V163 N175 V179 Y190F108-F139 AromaticContact CD1-CD1 3.58Å; F108-F139 HydrophobicContact CD1-CD1 3.58Å; F108-F139 HydrophobicContact CD1-CE1 4.24Å; F108-F139 HydrophobicContact CE1-CB 4.46Å; F108-F139 AromaticContact CE1-CD1 3.7Å; F108-F139 HydrophobicContact CE1-CD1 3.7Å; F108-F139 HydrophobicContact CE1-CE1 4.48Å; F108-F139 HydrophobicContact CE1-CG 4.46Å; F108-F139 HydrophobicContact CG-CD1 4.24Å; F108-F139 HydrophobicContact CG-CE1 4.47Å; L135-F139 HydrophobicContact CD2-CE1 3.77Å; L135-F139 HydrophobicContact CD2-CZ 4.34Å; L135-F139 HydrophobicContact CG-CE1 4.27Å; S137-F139 WeakPolarHBondContact O-CE2 3.25Å; S137-F139 PolarHBondContact OG-N 3.22Å; F139-V141 VanDerWaalsContact C-N 3.34Å; F139-V163 HydrophobicContact CE1-CG1 4.27Å; F139-V163 HydrophobicContact CE2-CG1 3.91Å; F139-V163 HydrophobicContact CZ-CG1 3.33Å; F139-N175 HydrophobicContact CB-CB 4.21Å; F139-N175 PolarHBondContact O-ND2 3.5Å; F139-V179 HydrophobicContact CD1-CG2 3.8Å; F139-V179 HydrophobicContact CD2-CG2 4.3Å; F139-V179 HydrophobicContact CE1-CG1 4.37Å; F139-V179 HydrophobicContact CE1-CG2 4.05Å; F139-V179 HydrophobicContact CE2-CG1 4.31Å; F139-V179 HydrophobicContact CG-CG2 3.96Å; F139-V179 HydrophobicContact CZ-CG1 4.13Å; F139-V179 HydrophobicContact CZ-CG2 4.44Å; F139-Y190 HydrophobicContact CE2-CE2 4.2Å
140S71.5Confident78.4Confident46 Ų4652.9 Ų52.932%0.32227%0.269SS..  trans-74.6-23.4-178.9-62.50000113.4C138C138-S140 PolarHBondContact O-N 3.17Å; C138-S140 VanDerWaalsContact O-N 3.13Å; C138-S140 PolarHBondContact SG-OG 3.08Å
141V71.9Confident78.2Confident29 Ų2950.5 Ų50.518%0.17626%0.259CS..SBendtrans-70.6132.7-176.3-172.90000110.9D105 F139 I143 N175D105-V141 HydrophobicContact CB-CG2 3.68Å; F139-V141 VanDerWaalsContact C-N 3.34Å; V141-I143 PolarHBondContact O-N 3.07Å; V141-N175 PolarHBondContact O-ND2 2.75Å
142H64Low77.9Confident131 Ų13152.1 Ų52.161%0.60627%0.27SS*.  trans-66.2127.4178.7-89.3-73.1000112.3R174H142-R174 PolarHBondContact CE1-NH1 3.25Å; H142-R174 VanDerWaalsContact CE1-NH1 3.31Å; H142-R174 PolarHBondContact NE2-NH1 3.06Å
143I63.3Low77.5Confident19 Ų1954.2 Ų54.210%0.09728%0.282CS..  trans-119.6132.5175.1-61.4173.4000108.4D107 F108 V141D107-I143 WeakPolarHBondContact OD1-CD1 3.27Å; D107-I143 VanDerWaalsContact OD1-CG1 3.29Å; D107-I143 WeakPolarHBondContact OD1-CG1 3.43Å; F108-I143 HydrophobicContact CD1-CD1 3.31Å; F108-I143 HydrophobicContact CD2-CD1 4.34Å; F108-I143 HydrophobicContact CE1-CD1 2.91Å; F108-I143 HydrophobicContact CE1-CG1 4.32Å; F108-I143 HydrophobicContact CE2-CD1 3.98Å; F108-I143 HydrophobicContact CG-CD1 4.04Å; F108-I143 HydrophobicContact CZ-CD1 3.25Å; V141-I143 PolarHBondContact O-N 3.07Å
144T59.6Low77.1Confident141 Ų14154.2 Ų54.287%0.86528%0.282SS*.  trans-89.9-36.1-176.948.80000112.7
145V63.9Low76.7Confident98 Ų9858 Ų5859%0.59430%0.301SS*.  trans-152.3141.9-174.8-175.10000109.8
146L64.8Low76.2Confident49 Ų4964.5 Ų64.526%0.25734%0.336SS..  trans-82.8118.4166.1-177.173.2000108.7R148 L182L146-R148 PolarHBondContact O-N 3.04Å; L146-L182 HydrophobicContact CD1-CD1 4.08Å; L146-L182 HydrophobicContact CD1-CD2 4.24Å; L146-L182 HydrophobicContact CD2-CB 4.41Å; L146-L182 HydrophobicContact CD2-CD1 3.96Å
147D72.3Confident75.5Confident82 Ų8264.9 Ų64.944%0.43934%0.34SS..  trans-64123.4179.5-68.1-35.9000110.6D149 L150 L151D147-D149 PolarHBondContact O-N 3.19Å; D147-L150 HydrophobicContact CB-CB 4.28Å; D147-L150 WeakPolarHBondContact O-CB 3.35Å; D147-L150 PolarHBondContact O-N 2.92Å; D147-L151 PolarHBondContact O-N 3.08Å
148R76.1Confident75.2Confident200 Ų20073.4 Ų73.476%0.75538%0.377SS*.Hα-helixtrans-59.5-37.6176.2-109.3-171.9-81.3-98.20.9111.5L146 L150 L151 E152L146-R148 PolarHBondContact O-N 3.04Å; R148-L150 VanDerWaalsContact C-N 3.26Å; R148-L150 PolarHBondContact O-N 3.14Å; R148-L151 WeakPolarHBondContact O-CB 3.45Å; R148-L151 PolarHBondContact O-N 2.81Å; R148-L151 VanDerWaalsContact O-N 3.09Å; R148-E152 PolarHBondContact O-N 2.83Å
149D78.6Confident75.4Confident119 Ų11973.7 Ų73.764%0.63638%0.378SS*.Hα-helixtrans-59.5-37.1178.6-57.3-4.4000111.7D147 E152 T153D147-D149 PolarHBondContact O-N 3.19Å; D149-E152 PolarHBondContact O-N 2.85Å; D149-T153 WeakPolarHBondContact O-CG2 3.04Å; D149-T153 PolarHBondContact O-N 3.23Å; D149-T153 PolarHBondContact O-OG1 3.37Å
150L81.6Confident75.7Confident2 Ų278.1 Ų78.11%0.0140%0.399CS..Hα-helixtrans-64.3-46.2175.7175.563.7000110.6L112 D147 R148 E152 T153 L154L112-L150 HydrophobicContact CB-CD1 4Å; L112-L150 HydrophobicContact CB-CD2 3.87Å; L112-L150 HydrophobicContact CD1-CD2 4.1Å; D147-L150 HydrophobicContact CB-CB 4.28Å; D147-L150 WeakPolarHBondContact O-CB 3.35Å; D147-L150 PolarHBondContact O-N 2.92Å; R148-L150 VanDerWaalsContact C-N 3.26Å; R148-L150 PolarHBondContact O-N 3.14Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.41Å; L150-T153 PolarHBondContact O-N 2.74Å; L150-T153 PolarHBondContact O-OG1 3.28Å; L150-L154 HydrophobicContact CD1-CD1 4.27Å; L150-L154 HydrophobicContact CD1-CG 4.24Å; L150-L154 HydrophobicContact CG-CD1 4.11Å; L150-L154 HydrophobicContact CG-CG 4.49Å; L150-L154 WeakPolarHBondContact O-CG 3.34Å; L150-L154 PolarHBondContact O-N 3.03Å
151L81Confident76.5Confident39 Ų3976.1 Ų76.120%0.20438%0.384CS..Hα-helixtrans-61.6-42.5179.3-175.763.7000111.4D147 R148 L154 I155 L182 V186D147-L151 PolarHBondContact O-N 3.08Å; R148-L151 WeakPolarHBondContact O-CB 3.45Å; R148-L151 PolarHBondContact O-N 2.81Å; R148-L151 VanDerWaalsContact O-N 3.09Å; L151-L154 PolarHBondContact O-N 3.32Å; L151-I155 HydrophobicContact CD1-CD1 3.95Å; L151-I155 HydrophobicContact CD1-CG1 4.38Å; L151-I155 HydrophobicContact CG-CD1 3.84Å; L151-I155 VanDerWaalsContact O-CG1 3.3Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3.08Å; L151-L182 HydrophobicContact CD1-CD1 4.17Å; L151-V186 HydrophobicContact CD1-CG2 3.61Å
152E82.2Confident77.3Confident111 Ų11176 Ų7652%0.51939%0.387SS..Hα-helixtrans-60.1-46.3175-71.3178-17200111.2R148 D149 L150 L154 I155 D156R148-E152 PolarHBondContact O-N 2.83Å; D149-E152 PolarHBondContact O-N 2.85Å; L150-E152 VanDerWaalsContact C-N 3.32Å; L150-E152 PolarHBondContact O-N 3.41Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-L154 PolarHBondContact O-N 3.35Å; E152-I155 PolarHBondContact O-N 3.42Å; E152-D156 VanDerWaalsContact O-CB 3.29Å; E152-D156 WeakPolarHBondContact O-CB 3.28Å; E152-D156 PolarHBondContact O-N 3.12Å
153T82Confident78.5Confident54 Ų5469.9 Ų69.933%0.33136%0.358SS..Hα-helixtrans-64.3-34.917859.40000113.9D149 L150 G157D149-T153 WeakPolarHBondContact O-CG2 3.04Å; D149-T153 PolarHBondContact O-N 3.23Å; D149-T153 PolarHBondContact O-OG1 3.37Å; L150-T153 PolarHBondContact O-N 2.74Å; L150-T153 PolarHBondContact O-OG1 3.28Å; T153-G157 WeakPolarHBondContact O-CA 3.05Å; T153-G157 PolarHBondContact O-N 3.5Å
154L82.8Confident79.7Confident1 Ų170.1 Ų70.11%0.00536%0.359CS..Hα-helixtrans-68.2-44177.3-70.1172.9000111.5A116 L133 L150 L151 E152 K158 L159 L182 V186A116-L154 HydrophobicContact CB-CD2 4.11Å; L133-L154 HydrophobicContact CD2-CD2 3.66Å; L150-L154 HydrophobicContact CD1-CD1 4.27Å; L150-L154 HydrophobicContact CD1-CG 4.24Å; L150-L154 HydrophobicContact CG-CD1 4.11Å; L150-L154 HydrophobicContact CG-CG 4.49Å; L150-L154 WeakPolarHBondContact O-CG 3.34Å; L150-L154 PolarHBondContact O-N 3.03Å; L151-L154 PolarHBondContact O-N 3.32Å; E152-L154 VanDerWaalsContact C-N 3.35Å; E152-L154 PolarHBondContact O-N 3.35Å; L154-K158 PolarHBondContact O-N 3.38Å; L154-L159 HydrophobicContact CD2-CB 4.24Å; L154-L159 HydrophobicContact CD2-CD1 3.87Å; L154-L159 PolarHBondContact O-N 3.21Å; L154-L159 VanDerWaalsContact O-N 3.14Å; L154-L182 HydrophobicContact CD1-CD1 4.26Å; L154-V186 HydrophobicContact CB-CG1 4.39Å; L154-V186 HydrophobicContact CB-CG2 4.19Å; L154-V186 HydrophobicContact CD1-CG2 4.01Å
155I84.2Confident80.9Confident91 Ų9163.4 Ų63.447%0.46732%0.318SS..Hα-helixtrans-70.4-50.1-179.6-66170.8000110.6L151 E152 G157 K158L151-I155 HydrophobicContact CD1-CD1 3.95Å; L151-I155 HydrophobicContact CD1-CG1 4.38Å; L151-I155 HydrophobicContact CG-CD1 3.84Å; L151-I155 VanDerWaalsContact O-CG1 3.3Å; L151-I155 WeakPolarHBondContact O-CG1 3.44Å; L151-I155 PolarHBondContact O-N 3.08Å; E152-I155 PolarHBondContact O-N 3.42Å; I155-G157 VanDerWaalsContact C-N 3.26Å; I155-G157 PolarHBondContact O-N 3.06Å; I155-K158 PolarHBondContact O-N 3.47Å; I155-K158 VanDerWaalsContact O-N 3.08Å
156D82.1Confident81.7Confident139 Ų13958.8 Ų58.874%0.74329%0.29SS*.Hα-helixtrans-64-34.5179.5-76.9-5.4000111.7E152 K158E152-D156 VanDerWaalsContact O-CB 3.29Å; E152-D156 WeakPolarHBondContact O-CB 3.28Å; E152-D156 PolarHBondContact O-N 3.12Å; D156-K158 PolarHBondContact O-N 3.33Å
157G75.8Confident82.2Confident8 Ų859.2 Ų59.28%0.08229%0.293CS..THydrogen-bonded Turntrans-71.8-13.6176.400000114.8R131 T153 I155 L159R131-G157 PolarHBondContact NH1-O 3.12Å; T153-G157 WeakPolarHBondContact O-CA 3.05Å; T153-G157 PolarHBondContact O-N 3.5Å; I155-G157 VanDerWaalsContact C-N 3.26Å; I155-G157 PolarHBondContact O-N 3.06Å; G157-L159 VanDerWaalsContact C-N 3.31Å
158K81.3Confident81.9Confident181 Ų18160.9 Ų60.979%0.78730%0.298SS*.THydrogen-bonded Turntrans49.250.3-168.5-62.9-176.1178.7-177.70111.8L154 I155 D156L154-K158 PolarHBondContact O-N 3.38Å; I155-K158 PolarHBondContact O-N 3.47Å; I155-K158 VanDerWaalsContact O-N 3.08Å; D156-K158 PolarHBondContact O-N 3.33Å
159L83.5Confident81.3Confident6 Ų655.5 Ų55.53%0.03129%0.291CS..  trans-89.6127-177.6-61.8178.4000110.3A116 L119 R131 L154 G157 L161A116-L159 HydrophobicContact CB-CD1 3.89Å; L119-L159 HydrophobicContact CD2-CD1 4.49Å; L119-L159 HydrophobicContact CD2-CD2 3.49Å; L119-L159 VanDerWaalsContact CD2-CD2 3.49Å; L119-L159 HydrophobicContact CG-CD2 4.14Å; R131-L159 HydrophobicContact CB-CD2 3.4Å; R131-L159 HydrophobicContact CG-CD2 4.28Å; R131-L159 WeakPolarHBondContact O-CA 3.48Å; L154-L159 HydrophobicContact CD2-CB 4.24Å; L154-L159 HydrophobicContact CD2-CD1 3.87Å; L154-L159 PolarHBondContact O-N 3.21Å; L154-L159 VanDerWaalsContact O-N 3.14Å; G157-L159 VanDerWaalsContact C-N 3.31Å; L159-L161 PolarHBondContact O-N 3.42Å
160E86.9Confident80.5Confident95 Ų9552 Ų5244%0.44427%0.272SS..EExtended strand (participates in β ladder)trans-79.9113.2171.9-70.8-178.7-168.800109Q130 R131 S132 L133Q130-E160 PolarHBondContact NE2-OE1 2.85Å; R131-E160 PolarHBondContact O-N 2.98Å; S132-E160 CarbonylContact C-O 3.58Å; S132-E160 WeakPolarHBondContact CA-O 3.34Å; L133-E160 PolarHBondContact N-O 3.19Å
161L88.4Confident79.2Confident3 Ų357.2 Ų57.22%0.01631%0.309CS..EExtended strand (participates in β ladder)trans-91.8117.3179179.664.5000110.3L112 L133 L159 V163 L182 V183 V186 G188 I189L112-L161 HydrophobicContact CD2-CD1 4.09Å; L133-L161 HydrophobicContact CB-CD1 4.38Å; L133-L161 HydrophobicContact CD2-CD1 3.96Å; L133-L161 HydrophobicContact CG-CD1 3.94Å; L159-L161 PolarHBondContact O-N 3.42Å; L161-V163 HydrophobicContact CD1-CG2 4.1Å; L161-V163 HydrophobicContact CD2-CG2 4.12Å; L161-V163 HydrophobicContact CG-CG2 3.87Å; L161-L182 HydrophobicContact CD2-CD2 4.07Å; L161-L182 HydrophobicContact CD2-CG 4.01Å; L161-V183 HydrophobicContact CD2-CG2 4.36Å; L161-V186 HydrophobicContact CB-CG1 4.05Å; L161-G188 CarbonylContact O-C 3.6Å; L161-G188 WeakPolarHBondContact O-CA 3.45Å; L161-I189 PolarHBondContact O-N 3.2Å
162A89.1Confident78.1Confident28 Ų2856.5 Ų56.523%0.23131%0.311CS..EExtended strand (participates in β ladder)trans-112.5119.2170.800000109.6L133 V134 L135 I189L133-A162 PolarHBondContact O-N 3.22Å; V134-A162 CarbonylContact C-O 3.59Å; V134-A162 VanDerWaalsContact CA-O 3.25Å; V134-A162 WeakPolarHBondContact CA-O 3.41Å; V134-A162 HydrophobicContact CG2-CB 4.33Å; L135-A162 PolarHBondContact N-O 3.07Å; A162-I189 WeakPolarHBondContact CA-O 3.35Å
163V88.7Confident77.1Confident1 Ų151.8 Ų51.81%0.00629%0.29CS..EExtended strand (participates in β ladder)trans-109.7127-178.8-177.20000109.6F139 L161 V179 V183 I189 Y190 C191F139-V163 HydrophobicContact CE1-CG1 4.27Å; F139-V163 HydrophobicContact CE2-CG1 3.91Å; F139-V163 HydrophobicContact CZ-CG1 3.33Å; L161-V163 HydrophobicContact CD1-CG2 4.1Å; L161-V163 HydrophobicContact CD2-CG2 4.12Å; L161-V163 HydrophobicContact CG-CG2 3.87Å; V163-V179 HydrophobicContact CB-CG1 4.36Å; V163-V179 HydrophobicContact CG1-CG1 3.66Å; V163-V179 HydrophobicContact CG2-CG1 4.18Å; V163-V183 HydrophobicContact CB-CG2 4.09Å; V163-V183 HydrophobicContact CG2-CG2 3.5Å; V163-V183 VanDerWaalsContact CG2-CG2 3.5Å; V163-I189 PolarHBondContact N-O 2.92Å; V163-Y190 HydrophobicContact CB-CD2 3.94Å; V163-Y190 HydrophobicContact CB-CE2 4.47Å; V163-Y190 HydrophobicContact CG1-CD2 3.83Å; V163-Y190 HydrophobicContact CG1-CE2 3.86Å; V163-Y190 WeakPolarHBondContact O-CA 3.15Å; V163-C191 PolarHBondContact O-N 2.85Å
164I88.4Confident76.3Confident24 Ų2457.8 Ų57.812%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-113.5119.9175.3-53.2177000108.8V134 L135 L136 S137 C191 F193V134-I164 HydrophobicContact CG1-CD1 4.06Å; V134-I164 HydrophobicContact CG1-CG1 4.49Å; L135-I164 PolarHBondContact O-N 3.41Å; L136-I164 WeakPolarHBondContact CA-O 3.45Å; L136-I164 HydrophobicContact CD2-CB 4.21Å; L136-I164 HydrophobicContact CD2-CD1 4.02Å; L136-I164 HydrophobicContact CD2-CG2 4.36Å; L136-I164 HydrophobicContact CG-CB 4.08Å; L136-I164 HydrophobicContact CG-CD1 4.23Å; S137-I164 PolarHBondContact N-O 2.96Å; I164-C191 VanDerWaalsContact CA-O 3.26Å; I164-C191 WeakPolarHBondContact CA-O 3.37Å; I164-C191 HydrophobicContact CG1-CB 4.39Å; I164-F193 HydrophobicContact CG2-CD1 3.67Å; I164-F193 HydrophobicContact CG2-CE1 3.68Å; I164-F193 HydrophobicContact CG2-CG 4.39Å; I164-F193 HydrophobicContact CG2-CZ 4.43Å
165G85.7Confident75.7Confident0 Ų058.1 Ų58.10%031%0.308CS..EExtended strand (participates in β ladder)trans-153.7-177.4-169.200000115.7C191 P192 F193G165-C191 PolarHBondContact N-O 3.43Å; G165-C191 VanDerWaalsContact N-O 3.09Å; G165-P192 CarbonylContact O-C 3.53Å; G165-P192 WeakPolarHBondContact O-CA 3.47Å; G165-F193 VanDerWaalsContact C-CE2 3.5Å; G165-F193 WeakPolarHBondContact O-CD2 3.2Å; G165-F193 PolarHBondContact O-N 3.03Å
166P80.4Confident75.1Confident1 Ų154 Ų541%0.00629%0.287CS..  trans-65.4162.2176.524.6-29.1000111.5F28 S137 D170 S173 V176 Y190F28-P166 HydrophobicContact CE1-CB 4.02Å; F28-P166 HydrophobicContact CZ-CB 4.07Å; S137-P166 WeakPolarHBondContact O-CD 3.38Å; P166-D170 HydrophobicContact CB-CB 4.2Å; P166-S173 WeakPolarHBondContact CG-OG 3.47Å; P166-V176 HydrophobicContact CG-CG2 4.27Å; P166-Y190 PolarHBondContact O-OH 3.43Å
167D75Confident74.8Confident58 Ų5850.8 Ų50.831%0.3127%0.274SS..  trans-74.6156.4179.7-168.416.7000110.6S169 D170 P192D167-S169 PolarHBondContact O-N 3.44Å; D167-S169 PolarHBondContact OD2-OG 3.02Å; D167-D170 PolarHBondContact N-OD2 3.29Å; D167-D170 WeakPolarHBondContact O-CB 3.47Å; D167-D170 PolarHBondContact O-N 3.27Å; D167-P192 HydrophobicContact CB-CB 4.47Å
168H66Low74.9Confident117 Ų11753.5 Ų53.554%0.54229%0.286SS..THydrogen-bonded Turntrans-61.4-21178.5-161.2-28.2000111.8D170 Q180H168-D170 VanDerWaalsContact C-N 3.32Å; H168-Q180 PolarHBondContact CD2-NE2 3.33Å
169S63.7Low74.9Confident87 Ų8744.9 Ų44.961%0.60825%0.249SC*.THydrogen-bonded Turntrans-74.3-15.7175.259.90000114.3D167 S171D167-S169 PolarHBondContact O-N 3.44Å; D167-S169 PolarHBondContact OD2-OG 3.02Å; S169-S171 PolarHBondContact O-N 3.19Å
170D61.7Low74.8Confident45 Ų4547 Ų4724%0.24126%0.259CS..  trans-80.7107.1-176.3-73.8-36.4000111.4P166 D167 H168 G172 S173P166-D170 HydrophobicContact CB-CB 4.2Å; D167-D170 PolarHBondContact N-OD2 3.29Å; D167-D170 WeakPolarHBondContact O-CB 3.47Å; D167-D170 PolarHBondContact O-N 3.27Å; H168-D170 VanDerWaalsContact C-N 3.32Å; D170-G172 PolarHBondContact O-N 3.13Å; D170-S173 PolarHBondContact O-N 3.39Å
171S53.6Low74.5Confident112 Ų11245.8 Ų45.878%0.78326%0.26SS*.THydrogen-bonded Turntrans-60.5-16.3-177.649.60000115.7S169 S173S169-S171 PolarHBondContact O-N 3.19Å; S171-S173 VanDerWaalsContact C-N 3.32Å
172G58.9Low74.1Confident24 Ų2445.7 Ų45.725%0.24726%0.26CS..THydrogen-bonded Turntrans-72.2-23.5-178.700000113.8D170 R174D170-G172 PolarHBondContact O-N 3.13Å; G172-R174 PolarHBondContact O-N 3.4Å
173S60.7Low73.8Confident12 Ų1244.6 Ų44.68%0.08425%0.25CS..  trans-102.285.5-164.2-47.40000111.4C138 P166 D170 S171 N175C138-S173 PolarHBondContact O-OG 2.75Å; P166-S173 WeakPolarHBondContact CG-OG 3.47Å; D170-S173 PolarHBondContact O-N 3.39Å; S171-S173 VanDerWaalsContact C-N 3.32Å; S173-N175 VanDerWaalsContact C-N 3.26Å; S173-N175 PolarHBondContact O-N 3.4Å
174R64.8Low73.6Confident180 Ų18050.3 Ų50.368%0.67928%0.281SS*.THydrogen-bonded Turntrans-63.1-27-174-66.5179.5-176.3174.8-1.6114.2H142 G172H142-R174 PolarHBondContact CE1-NH1 3.25Å; H142-R174 VanDerWaalsContact CE1-NH1 3.31Å; H142-R174 PolarHBondContact NE2-NH1 3.06Å; G172-R174 PolarHBondContact O-N 3.4Å
175N70.3Confident73.3Confident8 Ų852 Ų524%0.04330%0.295CS..THydrogen-bonded Turntrans-99.44.9-172.5-54.7-61.3000114.8F139 V141 S173 P177 I178 V179F139-N175 HydrophobicContact CB-CB 4.21Å; F139-N175 PolarHBondContact O-ND2 3.5Å; V141-N175 PolarHBondContact O-ND2 2.75Å; S173-N175 VanDerWaalsContact C-N 3.26Å; S173-N175 PolarHBondContact O-N 3.4Å; N175-P177 VanDerWaalsContact C-CD 3.42Å; N175-P177 VanDerWaalsContact C-N 3.29Å; N175-I178 HydrophobicContact CB-CD1 4.47Å; N175-I178 PolarHBondContact O-N 3.35Å; N175-V179 WeakPolarHBondContact O-CG2 3.29Å; N175-V179 PolarHBondContact O-N 3.49Å; N175-V179 VanDerWaalsContact O-N 3.08Å
176V73.2Confident73Confident4 Ų453 Ų532%0.02430%0.301CS..Hα-helixtrans-52.7-41.7177.7176.80000112.6P166 I178 V179 Q180P166-V176 HydrophobicContact CG-CG2 4.27Å; V176-I178 PolarHBondContact O-N 2.85Å; V176-V179 PolarHBondContact O-N 3.43Å; V176-Q180 HydrophobicContact CG1-CG 4.4Å; V176-Q180 WeakPolarHBondContact O-CG 3.38Å; V176-Q180 PolarHBondContact O-N 3.19Å
177P75.1Confident72.9Confident73 Ų7358.3 Ų58.347%0.47434%0.338SS..Hα-helixtrans-64.9-35.5177.5-23.135.2000113.9N175 Q180 S181N175-P177 VanDerWaalsContact C-CD 3.42Å; N175-P177 VanDerWaalsContact C-N 3.29Å; P177-Q180 PolarHBondContact O-N 2.65Å; P177-S181 PolarHBondContact O-N 3.17Å
178I78.6Confident73.2Confident64 Ų6456.5 Ų56.533%0.32833%0.333SS..Hα-helixtrans-67.2-42.7178-62.4171.5000109.5N175 V176 S181 L182N175-I178 HydrophobicContact CB-CD1 4.47Å; N175-I178 PolarHBondContact O-N 3.35Å; V176-I178 PolarHBondContact O-N 2.85Å; I178-S181 PolarHBondContact O-N 3.05Å; I178-L182 PolarHBondContact O-N 3.19Å
179V80.7Confident74.2Confident1 Ų156.1 Ų56.11%0.00633%0.334CS..Hα-helixtrans-65.9-40.1177.4178.30000111.1F108 F139 V163 N175 V176 L182 V183 Y190F108-V179 HydrophobicContact CE1-CG2 3.8Å; F108-V179 HydrophobicContact CE2-CG2 4.19Å; F108-V179 HydrophobicContact CZ-CG2 3.48Å; F108-V179 VanDerWaalsContact CZ-CG2 3.48Å; F139-V179 HydrophobicContact CD1-CG2 3.8Å; F139-V179 HydrophobicContact CD2-CG2 4.3Å; F139-V179 HydrophobicContact CE1-CG1 4.37Å; F139-V179 HydrophobicContact CE1-CG2 4.05Å; F139-V179 HydrophobicContact CE2-CG1 4.31Å; F139-V179 HydrophobicContact CG-CG2 3.96Å; F139-V179 HydrophobicContact CZ-CG1 4.13Å; F139-V179 HydrophobicContact CZ-CG2 4.44Å; V163-V179 HydrophobicContact CB-CG1 4.36Å; V163-V179 HydrophobicContact CG1-CG1 3.66Å; V163-V179 HydrophobicContact CG2-CG1 4.18Å; N175-V179 WeakPolarHBondContact O-CG2 3.29Å; N175-V179 PolarHBondContact O-N 3.49Å; N175-V179 VanDerWaalsContact O-N 3.08Å; V176-V179 PolarHBondContact O-N 3.43Å; V179-L182 WeakPolarHBondContact O-CB 3.34Å; V179-L182 PolarHBondContact O-N 2.95Å; V179-V183 HydrophobicContact CG1-CG2 4.38Å; V179-V183 WeakPolarHBondContact O-CB 3.35Å; V179-V183 VanDerWaalsContact O-CG2 3.24Å; V179-V183 WeakPolarHBondContact O-CG2 3.24Å; V179-V183 PolarHBondContact O-N 3.17Å; V179-Y190 HydrophobicContact CG1-CD2 4.38Å; V179-Y190 HydrophobicContact CG1-CE2 4.24Å
180Q80.4Confident75.1Confident51 Ų5154.2 Ų54.224%0.23831%0.314CS..Hα-helixtrans-61-45.2173.1-75.2172.8-7.100111.6H168 V176 P177 L182 V183 D184H168-Q180 PolarHBondContact CD2-NE2 3.33Å; V176-Q180 HydrophobicContact CG1-CG 4.4Å; V176-Q180 WeakPolarHBondContact O-CG 3.38Å; V176-Q180 PolarHBondContact O-N 3.19Å; P177-Q180 PolarHBondContact O-N 2.65Å; Q180-L182 VanDerWaalsContact C-N 3.27Å; Q180-L182 PolarHBondContact O-N 3.47Å; Q180-V183 PolarHBondContact O-N 2.81Å; Q180-V183 VanDerWaalsContact O-N 3.16Å; Q180-D184 WeakPolarHBondContact O-CB 3.08Å; Q180-D184 VanDerWaalsContact O-CG 3.27Å; Q180-D184 PolarHBondContact O-N 3.46Å
181S81Confident76.2Confident68 Ų6854.7 Ų54.748%0.47632%0.32SS..Hα-helixtrans-60.4-36.5175-174.50000112.6P177 I178 S185P177-S181 PolarHBondContact O-N 3.17Å; I178-S181 PolarHBondContact O-N 3.05Å; S181-S185 WeakPolarHBondContact O-CB 3.42Å; S181-S185 PolarHBondContact O-N 2.86Å; S181-S185 PolarHBondContact O-OG 3.17Å
182L80.2Confident77.6Confident2 Ų250.9 Ų50.91%0.0129%0.293CS..Hα-helixtrans-66.8-46.3174.317467000111.1L112 L146 L151 L154 L161 I178 V179 Q180 D184 S185 V186L112-L182 HydrophobicContact CD1-CD2 3.98Å; L146-L182 HydrophobicContact CD1-CD1 4.08Å; L146-L182 HydrophobicContact CD1-CD2 4.24Å; L146-L182 HydrophobicContact CD2-CB 4.41Å; L146-L182 HydrophobicContact CD2-CD1 3.96Å; L151-L182 HydrophobicContact CD1-CD1 4.17Å; L154-L182 HydrophobicContact CD1-CD1 4.26Å; L161-L182 HydrophobicContact CD2-CD2 4.07Å; L161-L182 HydrophobicContact CD2-CG 4.01Å; I178-L182 PolarHBondContact O-N 3.19Å; V179-L182 WeakPolarHBondContact O-CB 3.34Å; V179-L182 PolarHBondContact O-N 2.95Å; Q180-L182 VanDerWaalsContact C-N 3.27Å; Q180-L182 PolarHBondContact O-N 3.47Å; L182-D184 PolarHBondContact O-N 2.85Å; L182-S185 PolarHBondContact O-N 3.16Å; L182-V186 HydrophobicContact CD1-CG2 4.19Å; L182-V186 WeakPolarHBondContact O-CG2 3.47Å; L182-V186 PolarHBondContact O-N 3Å
183V83.6Confident78.3Confident4 Ų450.2 Ų50.22%0.02428%0.283CS..Hα-helixtrans-59.7-46.3177.6170.90000110.6L161 V163 V179 Q180 S185 V186 S187 G188L161-V183 HydrophobicContact CD2-CG2 4.36Å; V163-V183 HydrophobicContact CB-CG2 4.09Å; V163-V183 HydrophobicContact CG2-CG2 3.5Å; V163-V183 VanDerWaalsContact CG2-CG2 3.5Å; V179-V183 HydrophobicContact CG1-CG2 4.38Å; V179-V183 WeakPolarHBondContact O-CB 3.35Å; V179-V183 VanDerWaalsContact O-CG2 3.24Å; V179-V183 WeakPolarHBondContact O-CG2 3.24Å; V179-V183 PolarHBondContact O-N 3.17Å; Q180-V183 PolarHBondContact O-N 2.81Å; Q180-V183 VanDerWaalsContact O-N 3.16Å; V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.25Å; V183-V186 PolarHBondContact O-N 2.87Å; V183-S187 CarbonylContact O-C 3.59Å; V183-S187 WeakPolarHBondContact O-CA 3.45Å; V183-S187 PolarHBondContact O-N 2.84Å; V183-G188 WeakPolarHBondContact CG1-O 3.41Å; V183-G188 PolarHBondContact O-N 2.88Å
184D83.6Confident78.7Confident122 Ų12256.5 Ų56.565%0.65231%0.309SS*.Hα-helixtrans-63.2-39.4177.4-68.3-22.5000111.6Q180 L182 V186 S187Q180-D184 WeakPolarHBondContact O-CB 3.08Å; Q180-D184 VanDerWaalsContact O-CG 3.27Å; Q180-D184 PolarHBondContact O-N 3.46Å; L182-D184 PolarHBondContact O-N 2.85Å; D184-V186 VanDerWaalsContact C-N 3.34Å; D184-V186 PolarHBondContact O-N 3.1Å; D184-S187 PolarHBondContact O-N 2.71Å
185S81.5Confident78.6Confident60 Ų6051.1 Ų51.142%0.4230%0.299SS..Hα-helixtrans-66.2-34.9178.8-59.60000112.9S181 L182 V183S181-S185 WeakPolarHBondContact O-CB 3.42Å; S181-S185 PolarHBondContact O-N 2.86Å; S181-S185 PolarHBondContact O-OG 3.17Å; L182-S185 PolarHBondContact O-N 3.16Å; V183-S185 VanDerWaalsContact C-N 3.32Å; V183-S185 PolarHBondContact O-N 3.25Å
186V79.5Confident77.9Confident21 Ų2154.9 Ų54.913%0.12731%0.313CS..Hα-helixtrans-91.3-4.3179.1-1770000111.7L151 L154 L161 L182 V183 D184 G188L151-V186 HydrophobicContact CD1-CG2 3.61Å; L154-V186 HydrophobicContact CB-CG1 4.39Å; L154-V186 HydrophobicContact CB-CG2 4.19Å; L154-V186 HydrophobicContact CD1-CG2 4.01Å; L161-V186 HydrophobicContact CB-CG1 4.05Å; L182-V186 HydrophobicContact CD1-CG2 4.19Å; L182-V186 WeakPolarHBondContact O-CG2 3.47Å; L182-V186 PolarHBondContact O-N 3Å; V183-V186 PolarHBondContact O-N 2.87Å; D184-V186 VanDerWaalsContact C-N 3.34Å; D184-V186 PolarHBondContact O-N 3.1Å; V186-G188 PolarHBondContact O-N 2.85Å
187S78.4Confident77Confident111 Ų11161 Ų6178%0.77634%0.341SS*.THydrogen-bonded Turntrans55.638.8-168.6-56.10000113.1V183 D184V183-S187 CarbonylContact O-C 3.59Å; V183-S187 WeakPolarHBondContact O-CA 3.45Å; V183-S187 PolarHBondContact O-N 2.84Å; D184-S187 PolarHBondContact O-N 2.71Å
188G80.8Confident75.7Confident21 Ų2162.8 Ų62.822%0.21635%0.346CS..  trans-82.5-170.6176.800000113.8L161 V183 V186L161-G188 CarbonylContact O-C 3.6Å; L161-G188 WeakPolarHBondContact O-CA 3.45Å; V183-G188 WeakPolarHBondContact CG1-O 3.41Å; V183-G188 PolarHBondContact O-N 2.88Å; V186-G188 PolarHBondContact O-N 2.85Å
189I86.9Confident74.2Confident109 Ų10968.7 Ų68.756%0.55937%0.37SS*.EExtended strand (participates in β ladder)trans-122.6133.6179.2-57.8170.7000109.7L161 A162 V163L161-I189 PolarHBondContact O-N 3.2Å; A162-I189 WeakPolarHBondContact CA-O 3.35Å; V163-I189 PolarHBondContact N-O 2.92Å
190Y84.1Confident72.6Confident46 Ų4676.5 Ų76.518%0.1841%0.406CS..EExtended strand (participates in β ladder)trans-106.5125.5170.4-171.1-92.1000110.9F139 V163 P166 V179 P192F139-Y190 HydrophobicContact CE2-CE2 4.2Å; V163-Y190 HydrophobicContact CB-CD2 3.94Å; V163-Y190 HydrophobicContact CB-CE2 4.47Å; V163-Y190 HydrophobicContact CG1-CD2 3.83Å; V163-Y190 HydrophobicContact CG1-CE2 3.86Å; V163-Y190 WeakPolarHBondContact O-CA 3.15Å; P166-Y190 PolarHBondContact O-OH 3.43Å; V179-Y190 HydrophobicContact CG1-CD2 4.38Å; V179-Y190 HydrophobicContact CG1-CE2 4.24Å; Y190-P192 HydrophobicContact CE1-CG 4.49Å
191C83.6Confident71.1Confident55 Ų5576.4 Ų76.437%0.37242%0.418SS..EExtended strand (participates in β ladder)trans-125117.2-178.5-75.10000110.8V163 I164 G165V163-C191 PolarHBondContact O-N 2.85Å; I164-C191 VanDerWaalsContact CA-O 3.26Å; I164-C191 WeakPolarHBondContact CA-O 3.37Å; I164-C191 HydrophobicContact CG1-CB 4.39Å; G165-C191 PolarHBondContact N-O 3.43Å; G165-C191 VanDerWaalsContact N-O 3.09Å
192P82.7Confident70Confident33 Ų3385.8 Ų85.821%0.21444%0.444CS..EExtended strand (participates in β ladder)trans-61.7147.6171.5-21.930000112.2G165 D167 Y190 K194 S195G165-P192 CarbonylContact O-C 3.53Å; G165-P192 WeakPolarHBondContact O-CA 3.47Å; D167-P192 HydrophobicContact CB-CB 4.47Å; Y190-P192 HydrophobicContact CE1-CG 4.49Å; P192-K194 VanDerWaalsContact C-N 3.25Å; P192-K194 PolarHBondContact O-N 2.96Å; P192-S195 WeakPolarHBondContact CB-OG 3.47Å; P192-S195 VanDerWaalsContact CD-OG 3.24Å; P192-S195 WeakPolarHBondContact CD-OG 3.38Å; P192-S195 PolarHBondContact O-N 2.78Å; P192-S195 VanDerWaalsContact O-N 3.08Å; P192-S195 PolarHBondContact O-OG 3.23Å
193F74.5Confident69.2Low10 Ų1092.9 Ų92.94%0.04447%0.474CS..G310 helixtrans-54.6-42.3174.9-76.6-65.1000111.2M18 F28 A31 A32 L136 I164 G165 S195 Y196M18-F193 HydrophobicContact CE-CZ 4.19Å; F28-F193 HydrophobicContact CB-CE2 4.22Å; F28-F193 AromaticContact CD1-CD2 3.62Å; F28-F193 HydrophobicContact CD1-CD2 3.62Å; F28-F193 AromaticContact CD1-CE2 3.95Å; F28-F193 HydrophobicContact CD1-CE2 3.95Å; F28-F193 HydrophobicContact CD1-CG 4.48Å; F28-F193 HydrophobicContact CE1-CD2 4.24Å; F28-F193 HydrophobicContact CG-CD2 4.48Å; F28-F193 HydrophobicContact CG-CE2 4.4Å; A31-F193 HydrophobicContact CB-CB 4.36Å; A31-F193 HydrophobicContact CB-CD1 4.07Å; A31-F193 HydrophobicContact CB-CG 4.33Å; A32-F193 HydrophobicContact CB-CE1 3.76Å; A32-F193 HydrophobicContact CB-CZ 4.16Å; L136-F193 HydrophobicContact CD2-CE1 4.49Å; I164-F193 HydrophobicContact CG2-CD1 3.67Å; I164-F193 HydrophobicContact CG2-CE1 3.68Å; I164-F193 HydrophobicContact CG2-CG 4.39Å; I164-F193 HydrophobicContact CG2-CZ 4.43Å; G165-F193 VanDerWaalsContact C-CE2 3.5Å; G165-F193 WeakPolarHBondContact O-CD2 3.2Å; G165-F193 PolarHBondContact O-N 3.03Å; F193-S195 PolarHBondContact O-N 3.02Å; F193-Y196 WeakPolarHBondContact O-CD1 3.22Å; F193-Y196 WeakPolarHBondContact O-CE1 3.48Å; F193-Y196 PolarHBondContact O-N 3.19Å
194K69.6Low68.6Low143 Ų143100.6 Ų100.662%0.62251%0.508SS*.G310 helixtrans-62.9-16-177.9-66.7174.5-175.2158.40114.2P192P192-K194 VanDerWaalsContact C-N 3.25Å; P192-K194 PolarHBondContact O-N 2.96Å
195S62.2Low67.8Low68 Ų6897.8 Ų97.848%0.47650%0.501SS..G310 helixtrans-84.2-5.1-177.4-0.40000114.9P192 F193 H197P192-S195 WeakPolarHBondContact CB-OG 3.47Å; P192-S195 VanDerWaalsContact CD-OG 3.24Å; P192-S195 WeakPolarHBondContact CD-OG 3.38Å; P192-S195 PolarHBondContact O-N 2.78Å; P192-S195 VanDerWaalsContact O-N 3.08Å; P192-S195 PolarHBondContact O-OG 3.23Å; F193-S195 PolarHBondContact O-N 3.02Å; S195-H197 PolarHBondContact O-N 3.02Å; S195-H197 VanDerWaalsContact O-N 3.13Å
196Y56.6Low67.1Low87 Ų8798.4 Ų98.434%0.34150%0.5SS..G310 helixtrans-65.8-17.4-175.869.9-109.9000113.8F193 L198F193-Y196 WeakPolarHBondContact O-CD1 3.22Å; F193-Y196 WeakPolarHBondContact O-CE1 3.48Å; F193-Y196 PolarHBondContact O-N 3.19Å; Y196-L198 VanDerWaalsContact C-N 3.25Å; Y196-L198 PolarHBondContact O-N 3.46Å
197H53.4Low66.9Low132 Ų132102.2 Ų102.261%0.61153%0.534SS*.  trans-67.487.2171.4-72-66.4000109.4S195 K199S195-H197 PolarHBondContact O-N 3.02Å; S195-H197 VanDerWaalsContact O-N 3.13Å; H197-K199 PolarHBondContact O-N 2.93Å
198L47.2Very low66.7Low110 Ų110107.9 Ų107.958%0.57654%0.538SS*.  trans-52.7114.3161.4-93.393.8000106.4Y196 Q200Y196-L198 VanDerWaalsContact C-N 3.25Å; Y196-L198 PolarHBondContact O-N 3.46Å; L198-Q200 HydrophobicContact CB-CG 4.5Å; L198-Q200 PolarHBondContact O-N 3.38Å
199K47.2Very low65.9Low189 Ų189110.2 Ų110.282%0.82255%0.55SS**  trans-60.692.1163.3-66.5-174.3-179.4-179.20105.5H197 G201H197-K199 PolarHBondContact O-N 2.93Å; K199-G201 PolarHBondContact O-N 2.83Å
200Q47.1Very low64.8Low165 Ų165108.9 Ų108.977%0.77155%0.549SS*.  trans-69.543.7174-69.5-170.8-10.700110.8L198L198-Q200 HydrophobicContact CB-CG 4.5Å; L198-Q200 PolarHBondContact O-N 3.38Å
201G49.7Very low64Low48 Ų48117.8 Ų117.850%0.49558%0.584SS.*  trans-98.3134.8169.100000108.2K199 K203K199-G201 PolarHBondContact O-N 2.83Å; G201-K203 PolarHBondContact O-N 2.77Å
202W57.8Low63.3Low266 Ų266121.3 Ų121.3100%1.00860%0.596SS**  trans-57.5126.8166.3-63.382.7000108.8
203K63.6Low62.5Low151 Ų151125.9 Ų125.966%0.65762%0.619SS**  trans-110144170-70.2-176.1175-173.60108.9G201 D213G201-K203 PolarHBondContact O-N 2.77Å; K203-D213 IonicContact NZ-OD1 2.6Å
204F70.1Confident62.1Low165 Ų165129 Ų12972%0.72464%0.638SS**  trans-68.8131.3165.4-67.7-76.7000108.5M216F204-M216 HydrophobicContact CE2-CE 4.24Å
205A66.7Low62.2Low63 Ų63127.4 Ų127.452%0.52164%0.641SS.*EExtended strand (participates in β ladder)trans-120.1147.5175.600000109.3A207A205-A207 PolarHBondContact O-N 2.91Å
206N68.1Low62.8Low74 Ų74130.1 Ų130.140%0.39665%0.648SS.*EExtended strand (participates in β ladder)trans-69.8116.9172.9-176.6-26.4000108.2R208 C209 P210 V214N206-R208 PolarHBondContact O-N 3.42Å; N206-R208 VanDerWaalsContact O-N 3.08Å; N206-R208 WeakPolarHBondContact OD1-CB 3.23Å; N206-R208 PolarHBondContact OD1-N 2.86Å; N206-C209 CarbonylContact O-C 3.57Å; N206-C209 PolarHBondContact O-N 3.38Å; N206-P210 VanDerWaalsContact O-N 3.17Å; N206-V214 HydrophobicContact CB-CG2 3.93Å
207A75.5Confident63.7Low101 Ų101134.1 Ų134.184%0.83567%0.67SS**THydrogen-bonded Turntrans-57.1-27.4-178.700000113.3A205A205-A207 PolarHBondContact O-N 2.91Å
208R74.2Confident64.6Low229 Ų229136.3 Ų136.386%0.86467%0.673SS**THydrogen-bonded Turntrans-82.5-26.9176.9-65.2-177.7176.8174.5-0.5113.3N206N206-R208 PolarHBondContact O-N 3.42Å; N206-R208 VanDerWaalsContact O-N 3.08Å; N206-R208 WeakPolarHBondContact OD1-CB 3.23Å; N206-R208 PolarHBondContact OD1-N 2.86Å
209C63.6Low65.9Low70 Ų70135.4 Ų135.447%0.47367%0.672SS.*EExtended strand (participates in β ladder)trans-145.680.7-178.1-820000110.2N206 Y211 M212N206-C209 CarbonylContact O-C 3.57Å; N206-C209 PolarHBondContact O-N 3.38Å; C209-Y211 PolarHBondContact O-N 2.8Å; C209-Y211 VanDerWaalsContact O-N 3.13Å; C209-M212 PolarHBondContact O-N 2.85Å
210P64Low67.3Low81 Ų81131.1 Ų131.153%0.52665%0.651SS.*EExtended strand (participates in β ladder)trans-63.5-20.2-174.3-23.934.5000114.7N206N206-P210 VanDerWaalsContact O-N 3.17Å
211Y67.5Low68.6Low233 Ų233126.1 Ų126.191%0.91463%0.628SS**EExtended strand (participates in β ladder)trans-84.6-7.9-179.2-52.1-68.3000113.9C209C209-Y211 PolarHBondContact O-N 2.8Å; C209-Y211 VanDerWaalsContact O-N 3.13Å
212M67.5Low69.6Low129 Ų129126 Ų12664%0.63562%0.619SS**EExtended strand (participates in β ladder)trans-87127.5170.2-85.6-129.373.400110.1C209 V214C209-M212 PolarHBondContact O-N 2.85Å; M212-V214 PolarHBondContact O-N 2.65Å
213D66.9Low70.1Confident130 Ų130117.9 Ų117.970%0.69559%0.594SS**EExtended strand (participates in β ladder)trans-63.6130.1171.3-87.7-39.6000110.1K203K203-D213 IonicContact NZ-OD1 2.6Å
214V66.8Low69.8Low74 Ų74115.8 Ų115.845%0.44859%0.59SS.*PPolyproline II helixtrans-103.8124.6175.8-177.90000108.7N206 M212N206-V214 HydrophobicContact CB-CG2 3.93Å; M212-V214 PolarHBondContact O-N 2.65Å
215T69.9Low69.1Low111 Ų111113.3 Ų113.368%0.68159%0.589SS**PPolyproline II helixtrans-98.5139.517349.40000110.1
216M76Confident68.3Low125 Ų125114.9 Ų114.962%0.61659%0.588SS**  trans-87.2114.1173.2178.9-179.1-70.600108.8F204 R218F204-M216 HydrophobicContact CE2-CE 4.24Å; M216-R218 HydrophobicContact CG-CG 4.43Å; M216-R218 PolarHBondContact SD-NH2 3.09Å; M216-R218 VanDerWaalsContact SD-NH2 3.44Å
217E74.2Confident67.4Low171 Ų171115.7 Ų115.780%0.79959%0.593SS**  trans-103.4142.5170.2-68.2-177.6173.300110.1
218R74.1Confident66Low178 Ų178115.1 Ų115.167%0.67258%0.576SS**  trans-130.5128.4177.8-64.4-178.1-179.1-175.60.3108.7M216 Y220M216-R218 HydrophobicContact CG-CG 4.43Å; M216-R218 PolarHBondContact SD-NH2 3.09Å; M216-R218 VanDerWaalsContact SD-NH2 3.44Å; R218-Y220 HydrophobicContact CB-CE2 4.43Å
219T73.9Confident64.8Low90 Ų90110.1 Ų110.155%0.55257%0.566SS**  trans-105.9140.3172.155.90000109.8H221 E243T219-H221 PolarHBondContact OG1-NE2 3.29Å; T219-E243 WeakPolarHBondContact CG2-OE1 3.42Å
220Y75.9Confident64.1Low99 Ų99112 Ų11239%0.38858%0.58SS.*EExtended strand (participates in β ladder)trans-108.4133.1-179.2-66.5-94.8000109R218 E243 I244 L249R218-Y220 HydrophobicContact CB-CE2 4.43Å; Y220-E243 WeakPolarHBondContact O-CA 3.34Å; Y220-I244 PolarHBondContact O-N 3.19Å; Y220-L249 HydrophobicContact CD1-CD1 3.73Å; Y220-L249 HydrophobicContact CD2-CD1 3.29Å; Y220-L249 HydrophobicContact CE1-CD1 3.93Å; Y220-L249 HydrophobicContact CE2-CD1 3.52Å; Y220-L249 HydrophobicContact CG-CD1 3.4Å; Y220-L249 HydrophobicContact CG-CD2 4.46Å
221H74.6Confident63.2Low61 Ų61110.8 Ų110.828%0.28257%0.573SS.*EExtended strand (participates in β ladder)trans-121.1136-179.3-67-94.6000110.4T219 I223 G241 E242T219-H221 PolarHBondContact OG1-NE2 3.29Å; H221-I223 PolarHBondContact O-N 3.26Å; H221-G241 PolarHBondContact ND1-O 2.97Å; H221-E242 WeakPolarHBondContact CA-O 3.33Å
222S71.5Confident62.3Low45 Ų45109.1 Ų109.132%0.31557%0.574SS.*  trans-69.9119.917268.50000110.1G241 E242S222-G241 WeakPolarHBondContact O-CA 3.28Å; S222-E242 PolarHBondContact N-O 3.33Å; S222-E242 PolarHBondContact OG-N 3.31Å
223I66.9Low61.2Low95 Ų95110.7 Ų110.749%0.48758%0.58SS.*  trans-106.4120.6174.6-67.1167.3000108.7H221 V225H221-I223 PolarHBondContact O-N 3.26Å; I223-V225 PolarHBondContact O-N 3.48Å
224N58.5Low60Low107 Ų107112.7 Ų112.757%0.57258%0.582SS**  trans-75.2117.1167.9-82.2-33.7000108.9D226 D227N224-D226 PolarHBondContact O-N 2.97Å; N224-D227 PolarHBondContact O-N 2.99Å
225V54.7Low58.8Low114 Ų114112.3 Ų112.369%0.69158%0.581SS**G310 helixtrans-68.2-20-172.7179.40000112.6I223 D227 D228I223-V225 PolarHBondContact O-N 3.48Å; V225-D227 VanDerWaalsContact C-N 3.26Å; V225-D227 PolarHBondContact O-N 2.86Å; V225-D228 PolarHBondContact O-N 3.41Å
226D50.6Low57.8Low96 Ų96113.8 Ų113.851%0.51359%0.59SS.*G310 helixtrans-75-11.8-177.6-74.64.4000114N224 D228 Q444N224-D226 PolarHBondContact O-N 2.97Å; D226-D228 PolarHBondContact O-N 3.31Å; D226-Q444 PolarHBondContact OD2-NE2 3.21Å
227D47.9Very low56.5Low91 Ų91112.3 Ų112.349%0.48759%0.585SS.*G310 helixtrans-73.2-10.5172.4-73.5-28.4000113.1N224 V225N224-D227 PolarHBondContact O-N 2.99Å; V225-D227 VanDerWaalsContact C-N 3.26Å; V225-D227 PolarHBondContact O-N 2.86Å
228D47.1Very low55.4Low89 Ų89110 Ų11048%0.47657%0.572SS.*G310 helixtrans-94-8.4-174.3-100.9-15000114.4V225 D226 K238V225-D228 PolarHBondContact O-N 3.41Å; D226-D228 PolarHBondContact O-N 3.31Å; D228-K238 IonicContact OD1-NZ 3.98Å; D228-K238 IonicContact OD2-NZ 3.46Å
229D49.3Very low54.3Low123 Ų123110.9 Ų110.966%0.65858%0.575SS**THydrogen-bonded Turntrans-121.8-12.9-168.7-99.79.2000118K432D229-K432 IonicContact OD2-NZ 3.85Å; D229-K432 PolarHBondContact OD2-NZ 2.63Å
230S48.9Very low53.3Low111 Ų111113.4 Ų113.478%0.77658%0.584SS**SBendtrans-137.3-15.1-175.863.50000117.9
231S45.2Very low52.7Low55 Ų55109.7 Ų109.739%0.38558%0.576SS.*  trans-99.1111.8174.550.10000110.8Q233S231-Q233 CarbonylContact O-C 3.59Å; S231-Q233 PolarHBondContact O-N 2.95Å
232E47.2Very low52.3Low198 Ų198113 Ų11393%0.92559%0.592SS**SBendtrans-57.5-17.1173.9-70.2-175.616000113K234E232-K234 PolarHBondContact O-N 2.7Å; E232-K234 VanDerWaalsContact O-N 3.15Å
233Q45.5Very low52.3Low161 Ų161117 Ų11775%0.75261%0.606SS**SBendtrans-76.689.7160.5-83.687.18.900110.8S231 P235S231-Q233 CarbonylContact O-C 3.59Å; S231-Q233 PolarHBondContact O-N 2.95Å; Q233-P235 WeakPolarHBondContact O-CD 3.39Å
234K40.7Very low52.7Low173 Ų173115.2 Ų115.275%0.75260%0.596SS**  trans-53.6122.5158-84.8175.6176.6169.20108.3E232 V236E232-K234 PolarHBondContact O-N 2.7Å; E232-K234 VanDerWaalsContact O-N 3.15Å; K234-V236 PolarHBondContact O-N 2.96Å
235P41.2Very low53.4Low66 Ų66112.1 Ų112.143%0.42958%0.583SS.*  trans-56.8128174.420.8-29.5000108.5Q233 N237Q233-P235 WeakPolarHBondContact O-CD 3.39Å; P235-N237 PolarHBondContact O-N 3.02Å
236V50Low54.3Low142 Ų142114 Ų11486%0.86159%0.585SS**SBendtrans-54.5-26.9-173.8175.20000111.6K234K234-V236 PolarHBondContact O-N 2.96Å
237N48.3Very low55.3Low94 Ų94118.2 Ų118.250%0.50359%0.593SS.*  trans-123.198.2176.4-64-28.6000109.8P235 W239 L240P235-N237 PolarHBondContact O-N 3.02Å; N237-W239 PolarHBondContact O-N 2.85Å; N237-L240 HydrophobicContact CB-CD1 3.6Å; N237-L240 PolarHBondContact O-N 3.4Å
238K51.1Low56.5Low122 Ų122117.8 Ų117.853%0.5359%0.591SS.*THydrogen-bonded Turntrans-56.7-9.6173.8-154.6171.1-172.2166.50114.2D228D228-K238 IonicContact OD1-NZ 3.98Å; D228-K238 IonicContact OD2-NZ 3.46Å
239W51Low58Low196 Ų196116.9 Ų116.974%0.74259%0.586SS**THydrogen-bonded Turntrans-104.214.6-174-49.4100.6000113.6N237 G241N237-W239 PolarHBondContact O-N 2.85Å; W239-G241 PolarHBondContact O-N 2.96Å
240L52.3Low59.6Low143 Ų143113.7 Ų113.775%0.74957%0.57SS**  trans-77.48.4-178.6-125.798.8000114.7N237N237-L240 HydrophobicContact CB-CD1 3.6Å; N237-L240 PolarHBondContact O-N 3.4Å
241G63.4Low61.2Low21 Ų21114.7 Ų114.722%0.21656%0.561CS.*SBendtrans-62.1152.1175.400000112.4H221 S222 W239 E243H221-G241 PolarHBondContact ND1-O 2.97Å; S222-G241 WeakPolarHBondContact O-CA 3.28Å; W239-G241 PolarHBondContact O-N 2.96Å; G241-E243 PolarHBondContact O-N 2.96Å
242E67.8Low62.9Low130 Ų130114.5 Ų114.561%0.60756%0.563SS**PPolyproline II helixtrans-61.3133.1171.7-158.3170.3-173.800108.9H221 S222 I244H221-E242 WeakPolarHBondContact CA-O 3.33Å; S222-E242 PolarHBondContact N-O 3.33Å; S222-E242 PolarHBondContact OG-N 3.31Å; E242-I244 PolarHBondContact O-N 3.26Å
243E71.4Confident64.4Low131 Ų131110.6 Ų110.661%0.61254%0.543SS*.EExtended strand (participates in β ladder)trans-70.9118.5179.6-174178175.600108.9T219 Y220 G241T219-E243 WeakPolarHBondContact CG2-OE1 3.42Å; Y220-E243 WeakPolarHBondContact O-CA 3.34Å; G241-E243 PolarHBondContact O-N 2.96Å
244I74Confident65.9Low56 Ų56111.8 Ų111.829%0.28754%0.541SS..EExtended strand (participates in β ladder)trans-93.6130.9177.2-63.2169000108.1Y220 E242 D248 L249Y220-I244 PolarHBondContact O-N 3.19Å; E242-I244 PolarHBondContact O-N 3.26Å; I244-D248 HydrophobicContact CG2-CB 3.92Å; I244-L249 HydrophobicContact CG2-CD2 3.88Å; I244-L249 HydrophobicContact CG2-CG 4.26Å
245S74.6Confident67.2Low43 Ų43112.6 Ų112.630%0.30154%0.54SS..PPolyproline II helixtrans-71.2144.1176.6-159.80000111R247 D248S245-R247 PolarHBondContact O-N 3.34Å; S245-R247 WeakPolarHBondContact OG-CG 3.42Å; S245-R247 PolarHBondContact OG-NE 3.35Å; S245-D248 PolarHBondContact O-N 2.89Å
246E72.2Confident69Low153 Ų153113.1 Ų113.172%0.71556%0.558SS**G310 helixtrans-56.5-28.6179.9-174.2179.3178.700113.1D248 L249E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.23Å; E246-L249 WeakPolarHBondContact O-CB 3.42Å; E246-L249 PolarHBondContact O-N 2.83Å
247R71.9Confident69.7Low185 Ų185110.1 Ų110.170%0.69855%0.547SS*.G310 helixtrans-66.1-27.5176.939.6178.5-178.1-160.24.4113.8S245 L249S245-R247 PolarHBondContact O-N 3.34Å; S245-R247 WeakPolarHBondContact OG-CG 3.42Å; S245-R247 PolarHBondContact OG-NE 3.35Å; R247-L249 VanDerWaalsContact C-N 3.29Å
248D73.6Confident70.7Confident82 Ų82109.4 Ų109.444%0.43955%0.55SS..G310 helixtrans-87.1-4.1177.2-52.5-37.6000111.8I244 S245 E246 V250I244-D248 HydrophobicContact CG2-CB 3.92Å; S245-D248 PolarHBondContact O-N 2.89Å; E246-D248 VanDerWaalsContact C-N 3.3Å; E246-D248 PolarHBondContact O-N 3.23Å; D248-V250 PolarHBondContact O-N 3.05Å
249L78.6Confident72Confident69 Ų69107.9 Ų107.936%0.36155%0.546SS..  trans-86.3115.1-179.2-62.2172.7000111.1Y220 I244 E246 R247Y220-L249 HydrophobicContact CD1-CD1 3.73Å; Y220-L249 HydrophobicContact CD2-CD1 3.29Å; Y220-L249 HydrophobicContact CE1-CD1 3.93Å; Y220-L249 HydrophobicContact CE2-CD1 3.52Å; Y220-L249 HydrophobicContact CG-CD1 3.4Å; Y220-L249 HydrophobicContact CG-CD2 4.46Å; I244-L249 HydrophobicContact CG2-CD2 3.88Å; I244-L249 HydrophobicContact CG2-CG 4.26Å; E246-L249 WeakPolarHBondContact O-CB 3.42Å; E246-L249 PolarHBondContact O-N 2.83Å; R247-L249 VanDerWaalsContact C-N 3.29Å
250V82.3Confident73.4Confident56 Ų56101.6 Ų101.634%0.33953%0.53SS..  trans-109.9141169.3-1790000108.9D248 A252 P261 L262 V461D248-V250 PolarHBondContact O-N 3.05Å; V250-A252 PolarHBondContact O-N 3.05Å; V250-P261 HydrophobicContact CG1-CB 4.28Å; V250-L262 VanDerWaalsContact CG1-C 3.46Å; V250-L262 WeakPolarHBondContact CG1-O 3.39Å; V250-V461 HydrophobicContact CG1-CG1 4.07Å; V250-V461 HydrophobicContact CG2-CG1 4.47Å
251K83.4Confident74.9Confident133 Ų13397.2 Ų97.258%0.57851%0.51SS*.EExtended strand (participates in β ladder)trans-65.9134.2175-72.8171.8-179.1174.10109.1L262 E267K251-L262 PolarHBondContact O-N 3.06Å; K251-E267 WeakPolarHBondContact CB-OE1 3.44Å; K251-E267 WeakPolarHBondContact CD-OE1 3.25Å; K251-E267 IonicContact NZ-OE1 2.77Å; K251-E267 PolarHBondContact NZ-OE1 3.43Å; K251-E267 IonicContact NZ-OE2 3.85Å; K251-E267 PolarHBondContact NZ-OE2 2.84Å
252A80.1Confident75.7Confident51 Ų5197.9 Ų97.942%0.42151%0.508SS..EExtended strand (participates in β ladder)trans-130.2139.6179.100000111.2V250 I259 V260 P261V250-A252 PolarHBondContact O-N 3.05Å; A252-I259 HydrophobicContact CB-CG2 3.43Å; A252-I259 VanDerWaalsContact CB-CG2 3.43Å; A252-V260 CarbonylContact C-O 3.57Å; A252-V260 VanDerWaalsContact CA-O 3.28Å; A252-V260 WeakPolarHBondContact CA-O 3.48Å; A252-P261 HydrophobicContact CB-CB 4.26Å
253F79.6Confident76.4Confident116 Ų11691.8 Ų91.851%0.50948%0.48SS..EExtended strand (participates in β ladder)trans-108.1140.8179.7-65.9-92000109.4V260 L262F253-V260 PolarHBondContact N-O 2.8Å; F253-V260 PolarHBondContact O-N 2.86Å; F253-L262 HydrophobicContact CD2-CB 4.47Å; F253-L262 HydrophobicContact CD2-CD1 3.54Å; F253-L262 HydrophobicContact CD2-CG 4.03Å; F253-L262 HydrophobicContact CE2-CB 4.49Å; F253-L262 HydrophobicContact CE2-CD1 3.72Å; F253-L262 HydrophobicContact CE2-CG 4.4Å
254R76.4Confident76.9Confident186 Ų18694.2 Ų94.270%0.70249%0.489SS*.EExtended strand (participates in β ladder)trans-82.2120.2174.9-72.6-175178.8-162.8-1.6109.1I259R254-I259 HydrophobicContact CG-CG1 4.31Å
255Y68.6Low77.2Confident190 Ų19093.8 Ų93.875%0.74549%0.486SS*.EExtended strand (participates in β ladder)trans-115.5100170.5-168.4-94.3000108.8A257 S258Y255-A257 PolarHBondContact O-N 2.95Å; Y255-S258 PolarHBondContact N-O 3.49Å; Y255-S258 PolarHBondContact O-N 3.42Å
256G77.9Confident77.6Confident77 Ų7792.2 Ų92.279%0.79448%0.475SS*.THydrogen-bonded Turntrans60.2-118.6-170.700000111.7
257A64.4Low77.9Confident78 Ų7886.2 Ų86.265%0.64545%0.447SS*.THydrogen-bonded Turntrans-86.2-21175.800000113.4Y255Y255-A257 PolarHBondContact O-N 2.95Å
258S71.1Confident78.2Confident79 Ų7979.4 Ų79.455%0.55243%0.43SS*.EExtended strand (participates in β ladder)trans-88145.2-174.3-57.40000111.4Y255Y255-S258 PolarHBondContact N-O 3.49Å; Y255-S258 PolarHBondContact O-N 3.42Å
259I78.6Confident78.4Confident90 Ų9077.1 Ų77.146%0.46242%0.423SS..EExtended strand (participates in β ladder)trans-101.9116.1172.1-62.7173.8000106.6A252 R254 P261A252-I259 HydrophobicContact CB-CG2 3.43Å; A252-I259 VanDerWaalsContact CB-CG2 3.43Å; R254-I259 HydrophobicContact CG-CG1 4.31Å; I259-P261 WeakPolarHBondContact O-CD 3.2Å
260V79.7Confident78.2Confident65 Ų6577.5 Ų77.539%0.39443%0.428SS..EExtended strand (participates in β ladder)trans-101.1107.8179.4-175.40000108A252 F253 L262A252-V260 CarbonylContact C-O 3.57Å; A252-V260 VanDerWaalsContact CA-O 3.28Å; A252-V260 WeakPolarHBondContact CA-O 3.48Å; F253-V260 PolarHBondContact N-O 2.8Å; F253-V260 PolarHBondContact O-N 2.86Å; V260-L262 HydrophobicContact CG1-CD2 4.33Å
261P82.6Confident77.8Confident50 Ų5080.7 Ų80.733%0.32544%0.437SS..EExtended strand (participates in β ladder)trans-73.2134172.431.8-34.6000110.3V250 A252 I259 V461V250-P261 HydrophobicContact CG1-CB 4.28Å; A252-P261 HydrophobicContact CB-CB 4.26Å; I259-P261 WeakPolarHBondContact O-CD 3.2Å; P261-V461 HydrophobicContact CB-CG1 3.7Å; P261-V461 HydrophobicContact CB-CG2 4.3Å; P261-V461 HydrophobicContact CG-CB 4.34Å; P261-V461 HydrophobicContact CG-CG1 3.84Å; P261-V461 HydrophobicContact CG-CG2 3.5Å
262L80.9Confident77.3Confident35 Ų3580.1 Ų80.118%0.18343%0.432CS..EExtended strand (participates in β ladder)trans-115.7115.7175.7-67.6-176.5000109.5V250 K251 F253 V260 D266 E267V250-L262 VanDerWaalsContact CG1-C 3.46Å; V250-L262 WeakPolarHBondContact CG1-O 3.39Å; K251-L262 PolarHBondContact O-N 3.06Å; F253-L262 HydrophobicContact CD2-CB 4.47Å; F253-L262 HydrophobicContact CD2-CD1 3.54Å; F253-L262 HydrophobicContact CD2-CG 4.03Å; F253-L262 HydrophobicContact CE2-CB 4.49Å; F253-L262 HydrophobicContact CE2-CD1 3.72Å; F253-L262 HydrophobicContact CE2-CG 4.4Å; V260-L262 HydrophobicContact CG1-CD2 4.33Å; L262-D266 HydrophobicContact CB-CB 4.45Å; L262-D266 HydrophobicContact CD2-CB 4.06Å; L262-E267 HydrophobicContact CB-CG 3.84Å
263S82.4Confident76.8Confident2 Ų282.3 Ų82.31%0.01443%0.434CS..  trans-62.7162.4169.872.80000110.6L265 D266 E267 V461S263-L265 PolarHBondContact O-N 3.28Å; S263-D266 WeakPolarHBondContact CB-OD2 2.87Å; S263-D266 PolarHBondContact N-OD2 2.91Å; S263-D266 PolarHBondContact O-N 3.45Å; S263-D266 PolarHBondContact OG-N 3.5Å; S263-D266 PolarHBondContact OG-OD2 3.5Å; S263-E267 WeakPolarHBondContact O-CG 3.38Å; S263-E267 PolarHBondContact O-N 2.91Å; S263-V461 WeakPolarHBondContact CB-O 3.43Å
264K83Confident76.3Confident183 Ų18377 Ų7780%0.79641%0.411SS*.Hα-helixtrans-58.7-31.1177.3-66.1177.4-176.2168.40112.5A268K264-A268 WeakPolarHBondContact O-CB 3.34Å; K264-A268 PolarHBondContact O-N 3.27Å; K264-A268 VanDerWaalsContact O-N 3.17Å
265L79.6Confident75.9Confident46 Ų4673.5 Ų73.524%0.24140%0.403CS..Hα-helixtrans-69.8-43.7175.4-69.1169.2000111.1S263 A268 A269 H506S263-L265 PolarHBondContact O-N 3.28Å; L265-A268 PolarHBondContact O-N 2.96Å; L265-A269 PolarHBondContact O-N 2.92Å; L265-H506 HydrophobicContact CD1-CB 4.34Å; L265-H506 WeakPolarHBondContact CD1-CD2 3.46Å
266D82.3Confident76.4Confident11 Ų1172.1 Ų72.16%0.05940%0.401CS..Hα-helixtrans-68.4-38.4178-56.4-36.7000111L262 S263 A268 A269 T270 F499 K503L262-D266 HydrophobicContact CB-CB 4.45Å; L262-D266 HydrophobicContact CD2-CB 4.06Å; S263-D266 WeakPolarHBondContact CB-OD2 2.87Å; S263-D266 PolarHBondContact N-OD2 2.91Å; S263-D266 PolarHBondContact O-N 3.45Å; S263-D266 PolarHBondContact OG-N 3.5Å; S263-D266 PolarHBondContact OG-OD2 3.5Å; D266-A268 VanDerWaalsContact C-N 3.25Å; D266-A268 PolarHBondContact O-N 2.87Å; D266-A269 PolarHBondContact O-N 2.81Å; D266-T270 WeakPolarHBondContact O-CB 3.27Å; D266-T270 WeakPolarHBondContact O-CG2 3.45Å; D266-T270 PolarHBondContact O-N 3.37Å; D266-T270 PolarHBondContact O-OG1 3.47Å; D266-F499 HydrophobicContact CB-CE1 4.45Å; D266-F499 HydrophobicContact CB-CZ 4.35Å; D266-K503 WeakPolarHBondContact OD1-CD 3.42Å; D266-K503 IonicContact OD1-NZ 2.78Å; D266-K503 IonicContact OD2-NZ 3.81Å; D266-K503 PolarHBondContact OD2-NZ 3.13Å
267E79.4Confident76.6Confident26 Ų2676.3 Ų76.312%0.12140%0.397CS..Hα-helixtrans-61.1-33.1171.6-69.9-157.6146.300112.8K251 L262 S263 T270 K271K251-E267 WeakPolarHBondContact CB-OE1 3.44Å; K251-E267 WeakPolarHBondContact CD-OE1 3.25Å; K251-E267 IonicContact NZ-OE1 2.77Å; K251-E267 PolarHBondContact NZ-OE1 3.43Å; K251-E267 IonicContact NZ-OE2 3.85Å; K251-E267 PolarHBondContact NZ-OE2 2.84Å; L262-E267 HydrophobicContact CB-CG 3.84Å; S263-E267 WeakPolarHBondContact O-CG 3.38Å; S263-E267 PolarHBondContact O-N 2.91Å; E267-T270 WeakPolarHBondContact CA-OG1 3.41Å; E267-T270 PolarHBondContact O-OG1 3.43Å; E267-K271 WeakPolarHBondContact O-CD 3.27Å; E267-K271 VanDerWaalsContact O-CG 3.27Å; E267-K271 WeakPolarHBondContact O-CG 3.44Å
268A78.3Confident77.6Confident43 Ų4374.3 Ų74.336%0.35538%0.384SS..Hα-helixtrans-76.8-36.5176.800000111.6K264 L265 D266K264-A268 WeakPolarHBondContact O-CB 3.34Å; K264-A268 PolarHBondContact O-N 3.27Å; K264-A268 VanDerWaalsContact O-N 3.17Å; L265-A268 PolarHBondContact O-N 2.96Å; D266-A268 VanDerWaalsContact C-N 3.25Å; D266-A268 PolarHBondContact O-N 2.87Å
269A76.7Confident78.3Confident34 Ų3474 Ų7428%0.28138%0.375SS..Hα-helixtrans-72.2-36.1177.300000112.5L265 D266 K271 F499L265-A269 PolarHBondContact O-N 2.92Å; D266-A269 PolarHBondContact O-N 2.81Å; A269-K271 VanDerWaalsContact C-N 3.27Å; A269-K271 PolarHBondContact O-N 3.01Å; A269-F499 HydrophobicContact CB-CD2 4.2Å; A269-F499 HydrophobicContact CB-CE2 3.54Å; A269-F499 HydrophobicContact CB-CZ 3.75Å
270T74.3Confident78.7Confident76 Ų7674.6 Ų74.647%0.46638%0.376SS..SBendtrans-71.3-2017747.40000113.3D266 E267 Y272 F499D266-T270 WeakPolarHBondContact O-CB 3.27Å; D266-T270 WeakPolarHBondContact O-CG2 3.45Å; D266-T270 PolarHBondContact O-N 3.37Å; D266-T270 PolarHBondContact O-OG1 3.47Å; E267-T270 WeakPolarHBondContact CA-OG1 3.41Å; E267-T270 PolarHBondContact O-OG1 3.43Å; T270-Y272 PolarHBondContact O-N 3.31Å; T270-F499 HydrophobicContact CG2-CE2 3.72Å; T270-F499 HydrophobicContact CG2-CZ 3.6Å
271K73.9Confident79.1Confident124 Ų12474.6 Ų74.654%0.53938%0.376SS..SBendtrans-70.9128.8176.2-78.5169-171.3175.30109.8E267 A269 Q273E267-K271 WeakPolarHBondContact O-CD 3.27Å; E267-K271 VanDerWaalsContact O-CG 3.27Å; E267-K271 WeakPolarHBondContact O-CG 3.44Å; A269-K271 VanDerWaalsContact C-N 3.27Å; A269-K271 PolarHBondContact O-N 3.01Å; K271-Q273 PolarHBondContact O-N 2.87Å; K271-Q273 VanDerWaalsContact O-N 3.16Å
272Y73.1Confident79.3Confident120 Ų12077 Ų7747%0.47139%0.386SS..PPolyproline II helixtrans-57.6120172.6-179.6-90.8000110.6T270 R348 P357T270-Y272 PolarHBondContact O-N 3.31Å; Y272-R348 PolarHBondContact OH-NH2 3.41Å; Y272-P357 HydrophobicContact CD1-CG 3.86Å; Y272-P357 HydrophobicContact CE1-CG 3.63Å
273Q69.6Low79.6Confident98 Ų9876.5 Ų76.546%0.45839%0.389SS..PPolyproline II helixtrans-94.2118172.8-64.3-175.27.700108.9K271K271-Q273 PolarHBondContact O-N 2.87Å; K271-Q273 VanDerWaalsContact O-N 3.16Å
274S69.6Low79.8Confident5 Ų581.5 Ų81.54%0.03541%0.411CS..PPolyproline II helixtrans-85.9133.9176.862.10000110.5V350 S352 A353S274-V350 WeakPolarHBondContact OG-CG1 3.44Å; S274-S352 PolarHBondContact OG-O 2.93Å; S274-A353 PolarHBondContact N-O 3.49Å; S274-A353 WeakPolarHBondContact O-CA 3.31Å; S274-A353 VanDerWaalsContact OG-CA 3.25Å; S274-A353 WeakPolarHBondContact OG-CA 3.28Å; S274-A353 PolarHBondContact OG-O 2.92Å
275E68.9Low79.6Confident111 Ų11174.4 Ų74.452%0.51938%0.382SS..SBendtrans-62.6-44.9-178-64-178.1168.500113.4S591E275-S591 VanDerWaalsContact CG-OG 3.25Å; E275-S591 WeakPolarHBondContact CG-OG 3.33Å; E275-S591 PolarHBondContact OE1-OG 3.21Å
276K78.1Confident79.5Confident162 Ų16275.1 Ų75.170%0.70439%0.386SS*.SBendtrans-135.6132.9-173.4-68.1179.5-177.9172.40110
277K83.5Confident78.8Confident164 Ų16480.2 Ų80.271%0.71340%0.404SS*.  trans-69149.2165.271.8180-175.91800109.7
278G83.8Confident78.1Confident37 Ų3781.3 Ų81.338%0.38142%0.417SS..EExtended strand (participates in β ladder)trans138.6-17417400000113.8V350G278-V350 PolarHBondContact N-O 3.06Å; G278-V350 PolarHBondContact O-N 3.46Å
279I85.8Confident76.7Confident71 Ų7186.5 Ų86.536%0.36443%0.432SS..EExtended strand (participates in β ladder)trans-110.4117.8175.8-62.9167.5000106.9L318 V347 R348 Y349 L362I279-L318 HydrophobicContact CD1-CD1 3.61Å; I279-L318 HydrophobicContact CD1-CD2 3.68Å; I279-L318 HydrophobicContact CD1-CG 4.32Å; I279-V347 HydrophobicContact CG2-CB 3.69Å; I279-V347 HydrophobicContact CG2-CG1 3.96Å; I279-V347 HydrophobicContact CG2-CG2 3.79Å; I279-R348 WeakPolarHBondContact CA-O 3.45Å; I279-Y349 HydrophobicContact CD1-CD2 4.4Å; I279-Y349 HydrophobicContact CG1-CD2 3.74Å; I279-Y349 HydrophobicContact CG1-CE2 4.42Å; I279-L362 HydrophobicContact CG2-CD1 4.42Å
280Q87Confident75.1Confident103 Ų10387.2 Ų87.248%0.48143%0.432SS..EExtended strand (participates in β ladder)trans-113.4125.1177.2-176178.47.900109L282 V347 R348Q280-L282 PolarHBondContact O-N 3.48Å; Q280-V347 CarbonylContact O-C 3.51Å; Q280-V347 WeakPolarHBondContact O-CA 3.47Å; Q280-V347 WeakPolarHBondContact O-CB 3.18Å; Q280-R348 HydrophobicContact CB-CB 4.45Å; Q280-R348 PolarHBondContact N-O 3.13Å; Q280-R348 PolarHBondContact O-N 2.91Å
281V87.9Confident73.6Confident65 Ų6590.6 Ų90.639%0.39445%0.453SS..EExtended strand (participates in β ladder)trans-73.9119.3173.4-177.20000108.1F284 P345 V347V281-F284 HydrophobicContact CG1-CE2 4.21Å; V281-F284 HydrophobicContact CG1-CZ 4.12Å; V281-P345 HydrophobicContact CG1-CB 4.32Å; V281-V347 HydrophobicContact CG2-CG1 4.02Å
282L86.8Confident72.2Confident101 Ų10189.3 Ų89.353%0.52946%0.459SS..EExtended strand (participates in β ladder)trans-89.6-34.5176-61.5-179.9000111.1Q280 L346 R348 L359Q280-L282 PolarHBondContact O-N 3.48Å; L282-L346 PolarHBondContact N-O 3.4Å; L282-R348 HydrophobicContact CD1-CB 4.1Å; L282-R348 HydrophobicContact CD2-CB 4.2Å; L282-R348 HydrophobicContact CG-CB 4.14Å; L282-L359 HydrophobicContact CD1-CD1 3.85Å
283G87Confident70.9Confident25 Ų2586.8 Ų86.826%0.25846%0.457SS..EExtended strand (participates in β ladder)trans179.2-174.3-179.100000111.8L346G283-L346 PolarHBondContact N-O 2.91Å; G283-L346 PolarHBondContact O-N 3.12Å
284F87.3Confident70.1Confident106 Ų10693.1 Ų93.147%0.46548%0.477SS..EExtended strand (participates in β ladder)trans-122.1133.4179.2-62.7-91.5000110V281 K343 L344 P345V281-F284 HydrophobicContact CG1-CE2 4.21Å; V281-F284 HydrophobicContact CG1-CZ 4.12Å; F284-K343 HydrophobicContact CB-CB 4.23Å; F284-K343 HydrophobicContact CB-CD 4.2Å; F284-K343 HydrophobicContact CD1-CB 4.35Å; F284-L344 CarbonylContact C-O 3.47Å; F284-L344 WeakPolarHBondContact CA-O 3.36Å; F284-P345 HydrophobicContact CD1-CB 4.29Å; F284-P345 HydrophobicContact CD1-CG 4.11Å; F284-P345 HydrophobicContact CE1-CB 4.17Å; F284-P345 HydrophobicContact CE1-CG 3.87Å
285I79Confident69.2Low35 Ų3598 Ų9818%0.17950%0.502CS..EExtended strand (participates in β ladder)trans-109.514917562.7-176.7000109.5V305 K343 L344 L346 V361I285-V305 HydrophobicContact CD1-CG2 3.29Å; I285-V305 HydrophobicContact CG1-CG2 4.18Å; I285-K343 CarbonylContact O-C 3.51Å; I285-K343 WeakPolarHBondContact O-CA 3.19Å; I285-L344 HydrophobicContact CD1-CB 4.44Å; I285-L344 HydrophobicContact CG1-CB 3.82Å; I285-L344 WeakPolarHBondContact CG1-O 3.24Å; I285-L344 PolarHBondContact N-O 3.33Å; I285-L344 PolarHBondContact O-N 3.24Å; I285-L346 HydrophobicContact CG2-CB 4.44Å; I285-V361 HydrophobicContact CD1-CG1 4.17Å; I285-V361 HydrophobicContact CD1-CG2 3.91Å
286N77.2Confident68.2Low61 Ų6198.9 Ų98.933%0.32651%0.51SS..EExtended strand (participates in β ladder)trans-78.4139178.8-69.8-17.7000110.1
287R68.9Low66.8Low118 Ų11896 Ų9645%0.44551%0.506SS..SBendtrans-69.8-38.8179-171.3173.5-175.1-1771.2112.2E342 L344R287-E342 HydrophobicContact CB-CB 4.42Å; R287-E342 VanDerWaalsContact CB-O 3.25Å; R287-E342 WeakPolarHBondContact CB-O 3.48Å; R287-E342 PolarHBondContact N-O 3.23Å; R287-L344 HydrophobicContact CB-CD1 4.2Å; R287-L344 HydrophobicContact CB-CG 4.13Å; R287-L344 HydrophobicContact CG-CD1 4.13Å; R287-L344 HydrophobicContact CG-CG 4.39Å
288A62.8Low65.2Low48 Ų4892 Ų9240%0.39749%0.492SS..  trans-145145.8177.200000110.5
289K49Very low63.3Low153 Ų15394.4 Ų94.467%0.66550%0.495SS*.  trans-123.554.3176.3-138.5-168-162.5-171.40111.2A302K289-A302 HydrophobicContact CB-CB 4.33Å; K289-A302 PolarHBondContact N-O 3.16Å; K289-A302 VanDerWaalsContact N-O 3.08Å; K289-A302 WeakPolarHBondContact O-CB 3.45Å
290V43.8Very low61.2Low48 Ų4896.2 Ų96.229%0.29150%0.504SS..  trans-140.9110.8167.5-162.50000110.8C292 P293 A302V290-C292 VanDerWaalsContact C-N 3.29Å; V290-C292 VanDerWaalsContact CG1-C 3.47Å; V290-P293 HydrophobicContact CG1-CB 4.02Å; V290-A302 HydrophobicContact CB-CB 4.4Å; V290-A302 HydrophobicContact CG2-CB 3.02Å
291T42.8Very low59.2Low148 Ų14898 Ų9891%0.90851%0.513SS*.SBendtrans-81.7-9172.9-36.10000112.1
292C45.4Very low57.2Low96 Ų9695.8 Ų95.865%0.64950%0.501SS*.SBendtrans-16087.4-179.842.20000112.6V290 R294V290-C292 VanDerWaalsContact C-N 3.29Å; V290-C292 VanDerWaalsContact CG1-C 3.47Å; C292-R294 PolarHBondContact O-N 2.78Å
293P46.1Very low55.2Low68 Ų6893.8 Ų93.844%0.44249%0.491SS..  trans-79.2115.1179.330.6-28.8000109.3V290 L299V290-P293 HydrophobicContact CG1-CB 4.02Å; P293-L299 HydrophobicContact CB-CD1 4.04Å; P293-L299 HydrophobicContact CB-CD2 4.15Å; P293-L299 HydrophobicContact CB-CG 3.71Å; P293-L299 HydrophobicContact CG-CD1 4.41Å; P293-L299 HydrophobicContact CG-CD2 4.32Å; P293-L299 HydrophobicContact CG-CG 4.31Å
294R51.8Low53.7Low231 Ų23198.1 Ų98.187%0.87250%0.504SS*.SBendtrans-87.1-29.5168.7-69.5-172.5-163.1-130.62.9111.8C292C292-R294 PolarHBondContact O-N 2.78Å
295D50.4Low52.4Low106 Ų10693.2 Ų93.257%0.56748%0.483SS*.SBendtrans-131.2151.4-177.8-76.1-48.6000113.1V297 D298D295-V297 PolarHBondContact O-N 3.16Å; D295-D298 PolarHBondContact O-N 3.43Å
296I48.1Very low51.4Low131 Ų13195 Ų9567%0.67249%0.489SS*.Hα-helixtrans-55.6-30.1175-96.9170.3000112.2L299 I300I296-L299 PolarHBondContact O-N 2.97Å; I296-I300 HydrophobicContact CG2-CD1 4.12Å; I296-I300 WeakPolarHBondContact O-CG1 3.14Å; I296-I300 PolarHBondContact O-N 3.45Å
297V49.4Very low50.3Low102 Ų10297 Ų9762%0.61850%0.504SS*.Hα-helixtrans-66.9-39-178.1-173.40000111.3D295 I300 Q301D295-V297 PolarHBondContact O-N 3.16Å; V297-I300 PolarHBondContact O-N 3.19Å; V297-Q301 PolarHBondContact O-N 3.36Å
298D48.6Very low49.7Very low79 Ų7997.5 Ų97.542%0.42251%0.506SS..Hα-helixtrans-70.4-35.4-179.4-68.1-25.7000112.2D295 I300 Q301 A302D295-D298 PolarHBondContact O-N 3.43Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 2.85Å; D298-Q301 PolarHBondContact O-N 3.06Å; D298-A302 VanDerWaalsContact O-CB 3.26Å; D298-A302 WeakPolarHBondContact O-CB 3.31Å; D298-A302 PolarHBondContact O-N 3.18Å; D298-A302 VanDerWaalsContact O-N 3.13Å
299L43.8Very low49.4Very low88 Ų8897.6 Ų97.646%0.46150%0.498SS..Hα-helixtrans-60.5-40.8174.4-86163.6000112P293 I296P293-L299 HydrophobicContact CB-CD1 4.04Å; P293-L299 HydrophobicContact CB-CD2 4.15Å; P293-L299 HydrophobicContact CB-CG 3.71Å; P293-L299 HydrophobicContact CG-CD1 4.41Å; P293-L299 HydrophobicContact CG-CD2 4.32Å; P293-L299 HydrophobicContact CG-CG 4.31Å; I296-L299 PolarHBondContact O-N 2.97Å
300I42.6Very low49.7Very low108 Ų10892.6 Ų92.655%0.55448%0.476SS*.Hα-helixtrans-72.7-37.3-178.8-64.2169.3000110.9I296 V297 D298I296-I300 HydrophobicContact CG2-CD1 4.12Å; I296-I300 WeakPolarHBondContact O-CG1 3.14Å; I296-I300 PolarHBondContact O-N 3.45Å; V297-I300 PolarHBondContact O-N 3.19Å; D298-I300 VanDerWaalsContact C-N 3.32Å; D298-I300 PolarHBondContact O-N 2.85Å
301Q44.7Very low50.1Low142 Ų14292.3 Ų92.366%0.66448%0.475SS*.Hα-helixtrans-75.8-29-176.4-16173.63.100113.2V297 D298V297-Q301 PolarHBondContact O-N 3.36Å; D298-Q301 PolarHBondContact O-N 3.06Å
302A45.2Very low50.6Low18 Ų1886.4 Ų86.415%0.14944%0.443CS..SBendtrans-89.5-6-170.400000115.9K289 V290 D298 Q304K289-A302 HydrophobicContact CB-CB 4.33Å; K289-A302 PolarHBondContact N-O 3.16Å; K289-A302 VanDerWaalsContact N-O 3.08Å; K289-A302 WeakPolarHBondContact O-CB 3.45Å; V290-A302 HydrophobicContact CB-CB 4.4Å; V290-A302 HydrophobicContact CG2-CB 3.02Å; D298-A302 VanDerWaalsContact O-CB 3.26Å; D298-A302 WeakPolarHBondContact O-CB 3.31Å; D298-A302 PolarHBondContact O-N 3.18Å; D298-A302 VanDerWaalsContact O-N 3.13Å; A302-Q304 PolarHBondContact O-N 3.41Å
303I46Very low51.2Low59 Ų5988.5 Ų88.530%0.30345%0.448SS..  trans-79.5104.2171.3-60.8172.3000107.2V305I303-V305 VanDerWaalsContact CG2-C 3.5Å; I303-V305 WeakPolarHBondContact CG2-O 3.01Å; I303-V305 PolarHBondContact O-N 2.87Å
304Q55.6Low51.7Low116 Ų11688 Ų8854%0.54246%0.455SS..SBendtrans-59-31174.9-89.3-175-5500111.7A302A302-Q304 PolarHBondContact O-N 3.41Å
305V59Low52.3Low2 Ų279.6 Ų79.61%0.01243%0.431CS..SBendtrans-102.783.2176.7-1670000110.8I285 I303 H309 F310 L344 V361 M378I285-V305 HydrophobicContact CD1-CG2 3.29Å; I285-V305 HydrophobicContact CG1-CG2 4.18Å; I303-V305 VanDerWaalsContact CG2-C 3.5Å; I303-V305 WeakPolarHBondContact CG2-O 3.01Å; I303-V305 PolarHBondContact O-N 2.87Å; V305-H309 HydrophobicContact CG1-CB 4.45Å; V305-F310 HydrophobicContact CB-CZ 4.03Å; V305-F310 HydrophobicContact CG1-CD1 4.42Å; V305-F310 HydrophobicContact CG1-CE1 3.45Å; V305-F310 VanDerWaalsContact CG1-CE1 3.45Å; V305-F310 HydrophobicContact CG1-CE2 4.23Å; V305-F310 HydrophobicContact CG1-CZ 3.33Å; V305-L344 HydrophobicContact CB-CD1 4.33Å; V305-L344 HydrophobicContact CG2-CD1 3.77Å; V305-V361 HydrophobicContact CG2-CG1 4.42Å; V305-M378 HydrophobicContact CG1-SD 4.41Å
306K58Low53.6Low73 Ų7380.1 Ų80.132%0.31743%0.43SS..  trans-57.9146.8-177.8-54.2-169.8178-174.30112.6W308 H309K306-W308 HydrophobicContact CB-CD2 3.8Å; K306-W308 HydrophobicContact CB-CE3 4.08Å; K306-W308 HydrophobicContact CB-CG 4.45Å; K306-W308 HydrophobicContact CB-CH2 4.2Å; K306-W308 HydrophobicContact CB-CZ2 3.9Å; K306-W308 HydrophobicContact CB-CZ3 4.24Å; K306-W308 HydrophobicContact CD-CD2 4.45Å; K306-W308 HydrophobicContact CD-CH2 3.33Å; K306-W308 HydrophobicContact CD-CZ2 3Å; K306-W308 HydrophobicContact CD-CZ3 4.13Å; K306-W308 HydrophobicContact CG-CH2 4.35Å; K306-W308 HydrophobicContact CG-CZ2 4.08Å; K306-W308 PolarHBondContact O-N 3.28Å; K306-W308 VanDerWaalsContact O-N 3.13Å; K306-H309 PolarHBondContact N-ND1 2.96Å; K306-H309 VanDerWaalsContact O-CB 3.31Å; K306-H309 WeakPolarHBondContact O-CB 3.26Å; K306-H309 PolarHBondContact O-N 3.08Å; K306-H309 PolarHBondContact O-ND1 3.44Å
307V55.2Low55.2Low104 Ų10478.1 Ų78.163%0.6342%0.419SS*.G310 helixtrans-56.6-34.8-1721790000112.9H309 F310V307-H309 VanDerWaalsContact C-N 3.3Å; V307-H309 PolarHBondContact O-N 3.02Å; V307-F310 WeakPolarHBondContact O-CB 3.46Å; V307-F310 VanDerWaalsContact O-CD2 3.31Å; V307-F310 WeakPolarHBondContact O-CD2 3.43Å; V307-F310 PolarHBondContact O-N 3.06Å
308W56Low56.9Low128 Ų12875.2 Ų75.249%0.48540%0.4SS..G310 helixtrans-71.4-19.1177.858.180.4000114.5K306 F310 T311 L384K306-W308 HydrophobicContact CB-CD2 3.8Å; K306-W308 HydrophobicContact CB-CE3 4.08Å; K306-W308 HydrophobicContact CB-CG 4.45Å; K306-W308 HydrophobicContact CB-CH2 4.2Å; K306-W308 HydrophobicContact CB-CZ2 3.9Å; K306-W308 HydrophobicContact CB-CZ3 4.24Å; K306-W308 HydrophobicContact CD-CD2 4.45Å; K306-W308 HydrophobicContact CD-CH2 3.33Å; K306-W308 HydrophobicContact CD-CZ2 3Å; K306-W308 HydrophobicContact CD-CZ3 4.13Å; K306-W308 HydrophobicContact CG-CH2 4.35Å; K306-W308 HydrophobicContact CG-CZ2 4.08Å; K306-W308 PolarHBondContact O-N 3.28Å; K306-W308 VanDerWaalsContact O-N 3.13Å; W308-F310 PolarHBondContact O-N 3.19Å; W308-F310 VanDerWaalsContact O-N 3.12Å; W308-T311 PolarHBondContact O-N 3.25Å; W308-T311 PolarHBondContact O-OG1 3.18Å; W308-L384 HydrophobicContact CB-CD2 3.53Å; W308-L384 HydrophobicContact CG-CD2 4.32Å
309H55.4Low58.7Low50 Ų5076.9 Ų76.923%0.23140%0.404CS..G310 helixtrans-64.9-14168.3-58.5136.7000111.7V305 K306 V307 M378V305-H309 HydrophobicContact CG1-CB 4.45Å; K306-H309 PolarHBondContact N-ND1 2.96Å; K306-H309 VanDerWaalsContact O-CB 3.31Å; K306-H309 WeakPolarHBondContact O-CB 3.26Å; K306-H309 PolarHBondContact O-N 3.08Å; K306-H309 PolarHBondContact O-ND1 3.44Å; V307-H309 VanDerWaalsContact C-N 3.3Å; V307-H309 PolarHBondContact O-N 3.02Å; H309-M378 HydrophobicContact CB-CE 4.2Å; H309-M378 HydrophobicContact CB-SD 3.7Å
310F56.4Low60.7Low48 Ų4874 Ų7421%0.21139%0.392CS..G310 helixtrans-90.3-8.7174.1-50.9-54.3000112.7V305 V307 W308 G312 I363 R376V305-F310 HydrophobicContact CB-CZ 4.03Å; V305-F310 HydrophobicContact CG1-CD1 4.42Å; V305-F310 HydrophobicContact CG1-CE1 3.45Å; V305-F310 VanDerWaalsContact CG1-CE1 3.45Å; V305-F310 HydrophobicContact CG1-CE2 4.23Å; V305-F310 HydrophobicContact CG1-CZ 3.33Å; V307-F310 WeakPolarHBondContact O-CB 3.46Å; V307-F310 VanDerWaalsContact O-CD2 3.31Å; V307-F310 WeakPolarHBondContact O-CD2 3.43Å; V307-F310 PolarHBondContact O-N 3.06Å; W308-F310 PolarHBondContact O-N 3.19Å; W308-F310 VanDerWaalsContact O-N 3.12Å; F310-G312 PolarHBondContact O-N 3.45Å; F310-I363 HydrophobicContact CD1-CD1 3.84Å; F310-I363 HydrophobicContact CE1-CD1 3.34Å; F310-I363 HydrophobicContact CE1-CG1 4.27Å; F310-I363 HydrophobicContact CZ-CD1 4.01Å; F310-R376 VanDerWaalsContact CB-NH1 3.34Å; F310-R376 HydrophobicContact CD1-CB 4.33Å; F310-R376 HydrophobicContact CD1-CG 4.31Å; F310-R376 PolarHBondContact O-NH1 3.42Å
311T52.7Low62.9Low42 Ų4273.5 Ų73.526%0.25839%0.391SS..  trans-82.3103.5178.960.50000109.9W308 L385W308-T311 PolarHBondContact O-N 3.25Å; W308-T311 PolarHBondContact O-OG1 3.18Å; T311-L385 HydrophobicContact CG2-CB 4.31Å; T311-L385 HydrophobicContact CG2-CD1 4.32Å
312G52.9Low64.8Low23 Ų2372.4 Ų72.424%0.23740%0.396CS..SBendtrans-157.6166.1175.900000111.4F310 G314F310-G312 PolarHBondContact O-N 3.45Å; G312-G314 VanDerWaalsContact C-N 3.29Å; G312-G314 PolarHBondContact O-N 2.69Å
313N56.5Low67Low141 Ų14176.1 Ų76.175%0.75442%0.42SS*.SBendtrans-7580.2-179-77.1-22.6000111.4
314G58.2Low69.1Low58 Ų5877.3 Ų77.360%0.59843%0.427SS*.  trans102.7140.2172.700000113.6G312G312-G314 VanDerWaalsContact C-N 3.29Å; G312-G314 PolarHBondContact O-N 2.69Å
315S64.6Low70.9Confident53 Ų5382.3 Ų82.337%0.37144%0.442SS..PPolyproline II helixtrans-99.613216853.70000109.7E374S315-E374 WeakPolarHBondContact CB-OE1 3.33Å; S315-E374 PolarHBondContact OG-OE1 2.91Å
316H75.8Confident72.5Confident118 Ų11890 Ų9055%0.54647%0.471SS..EExtended strand (participates in β ladder)trans-92.7123174-69.2-74000108.6K375H316-K375 HydrophobicContact CB-CB 4.19Å; H316-K375 HydrophobicContact CB-CD 4.29Å; H316-K375 PolarHBondContact N-O 3.38Å; H316-K375 WeakPolarHBondContact O-CB 3.02Å; H316-K375 PolarHBondContact O-N 2.83Å
317M82.5Confident73.9Confident89 Ų8987.5 Ų87.544%0.43847%0.467SS..EExtended strand (participates in β ladder)trans-93.1128173.3-63.8-175.1-171.700109.6F319M317-F319 HydrophobicContact CB-CD2 4.2Å; M317-F319 HydrophobicContact CB-CE2 3.45Å; M317-F319 VanDerWaalsContact CB-CE2 3.45Å; M317-F319 HydrophobicContact CB-CZ 4.05Å; M317-F319 HydrophobicContact SD-CE2 4.45Å; M317-F319 HydrophobicContact SD-CZ 4.29Å
318L85.3Confident75.5Confident41 Ų4184.6 Ų84.622%0.21545%0.45CS..EExtended strand (participates in β ladder)trans-99.3117.3178.5-61.6174.6000109.4I279 L362 C372 M373 K375I279-L318 HydrophobicContact CD1-CD1 3.61Å; I279-L318 HydrophobicContact CD1-CD2 3.68Å; I279-L318 HydrophobicContact CD1-CG 4.32Å; L318-L362 HydrophobicContact CD1-CD1 4.02Å; L318-L362 HydrophobicContact CD1-CD2 3.5Å; L318-L362 VanDerWaalsContact CD1-CD2 3.5Å; L318-L362 HydrophobicContact CD1-CG 4.42Å; L318-C372 WeakPolarHBondContact O-CA 2.92Å; L318-C372 VanDerWaalsContact O-CB 3.27Å; L318-C372 WeakPolarHBondContact O-CB 3.31Å; L318-M373 HydrophobicContact CB-CB 4.31Å; L318-M373 WeakPolarHBondContact CB-O 3.05Å; L318-M373 HydrophobicContact CD1-CB 4.49Å; L318-M373 PolarHBondContact N-O 2.94Å; L318-M373 PolarHBondContact O-N 3.09Å; L318-M373 VanDerWaalsContact O-N 3.1Å; L318-K375 HydrophobicContact CD1-CB 3.98Å; L318-K375 HydrophobicContact CG-CB 4.1Å
319F87.3Confident77.2Confident114 Ų11485 Ų8550%0.546%0.457SS..  trans-112.8151.5173.6-62.7-88000109.3M317 Y370 C372M317-F319 HydrophobicContact CB-CD2 4.2Å; M317-F319 HydrophobicContact CB-CE2 3.45Å; M317-F319 VanDerWaalsContact CB-CE2 3.45Å; M317-F319 HydrophobicContact CB-CZ 4.05Å; M317-F319 HydrophobicContact SD-CE2 4.45Å; M317-F319 HydrophobicContact SD-CZ 4.29Å; F319-Y370 AromaticContact CE1-CD2 3.81Å; F319-Y370 HydrophobicContact CE1-CD2 3.81Å; F319-Y370 HydrophobicContact CE1-CE2 4.44Å; F319-Y370 HydrophobicContact CE1-CG 4.21Å; F319-Y370 HydrophobicContact CZ-CD2 4.22Å; F319-Y370 HydrophobicContact CZ-CE2 4.42Å; F319-C372 HydrophobicContact CD1-CB 3.63Å; F319-C372 HydrophobicContact CE1-CB 3.38Å; F319-C372 HydrophobicContact CE2-CB 4.31Å; F319-C372 HydrophobicContact CG-CB 4.21Å; F319-C372 HydrophobicContact CZ-CB 3.75Å
320A86Confident78.9Confident26 Ų2686.7 Ų86.722%0.21547%0.467CS..  trans-71.2150.7164.400000109.1P322 C328 L331A320-P322 WeakPolarHBondContact O-CD 3.19Å; A320-C328 HydrophobicContact CB-CB 4.18Å; A320-C328 VanDerWaalsContact CB-SG 3.53Å; A320-L331 HydrophobicContact CB-CB 4.2Å; A320-L331 HydrophobicContact CB-CD2 3.72Å; A320-L331 VanDerWaalsContact N-CD2 3.29Å
321D87.8Confident80.5Confident99 Ų9986.3 Ų86.353%0.52947%0.467SS..  trans-60.5119.7172.2-176-22.2000109.5S323 N324 C328D321-S323 PolarHBondContact O-N 3.06Å; D321-S323 VanDerWaalsContact O-N 3.09Å; D321-S323 WeakPolarHBondContact OD1-CB 3.46Å; D321-S323 PolarHBondContact OD1-N 3.1Å; D321-S323 PolarHBondContact OD1-OG 2.78Å; D321-S323 PolarHBondContact OD2-OG 2.81Å; D321-N324 HydrophobicContact CB-CB 4.36Å; D321-N324 PolarHBondContact O-N 2.55Å; D321-C328 PolarHBondContact O-SG 3.3Å
322P85Confident82.3Confident118 Ų11885.2 Ų85.277%0.76646%0.462SS*.THydrogen-bonded Turntrans-57.8-25.4-178.3-24.233.8000114A320 N324A320-P322 WeakPolarHBondContact O-CD 3.19Å; P322-N324 VanDerWaalsContact C-N 3.33Å
323S90.1Very high84.3Confident96 Ų9686.9 Ų86.967%0.67147%0.473SS*.THydrogen-bonded Turntrans-71.8-28.6177.468.80000112.4D321 R325D321-S323 PolarHBondContact O-N 3.06Å; D321-S323 VanDerWaalsContact O-N 3.09Å; D321-S323 WeakPolarHBondContact OD1-CB 3.46Å; D321-S323 PolarHBondContact OD1-N 3.1Å; D321-S323 PolarHBondContact OD1-OG 2.78Å; D321-S323 PolarHBondContact OD2-OG 2.81Å; S323-R325 PolarHBondContact O-N 2.81Å
324N91.7Very high85.9Confident84 Ų8483 Ų8345%0.44945%0.452SS..  trans-96.688.1-176.3-172.4-13000111.6D321 P322 Y326 G327 C328D321-N324 HydrophobicContact CB-CB 4.36Å; D321-N324 PolarHBondContact O-N 2.55Å; P322-N324 VanDerWaalsContact C-N 3.33Å; N324-Y326 VanDerWaalsContact C-N 3.29Å; N324-Y326 PolarHBondContact O-N 3.41Å; N324-Y326 PolarHBondContact OD1-N 3.45Å; N324-G327 PolarHBondContact O-N 2.83Å; N324-G327 PolarHBondContact OD1-N 3.04Å; N324-C328 PolarHBondContact O-N 2.87Å; N324-C328 PolarHBondContact O-SG 2.81Å; N324-C328 VanDerWaalsContact O-SG 3.33Å
325R92Very high87.6Confident222 Ų22280.3 Ų80.384%0.83842%0.424SS*.Hα-helixtrans-55.8-39.5179.5-68.6-171178.7-166.40.3113.8S323 C328 Q329S323-R325 PolarHBondContact O-N 2.81Å; R325-C328 PolarHBondContact O-N 3.1Å; R325-Q329 PolarHBondContact O-N 3.15Å
326Y92.6Very high88.9Confident163 Ų16384 Ų8464%0.63943%0.429SS*.Hα-helixtrans-68.3-43.7-180-177.5-108.4000111.3N324 C328 Q329 I330N324-Y326 VanDerWaalsContact C-N 3.29Å; N324-Y326 PolarHBondContact O-N 3.41Å; N324-Y326 PolarHBondContact OD1-N 3.45Å; Y326-C328 VanDerWaalsContact C-N 3.34Å; Y326-C328 PolarHBondContact O-N 2.65Å; Y326-Q329 PolarHBondContact O-N 2.89Å; Y326-I330 HydrophobicContact CD1-CD1 3.63Å; Y326-I330 HydrophobicContact CE1-CD1 3.16Å; Y326-I330 HydrophobicContact CE1-CG1 4.3Å; Y326-I330 HydrophobicContact CE2-CD1 4.16Å; Y326-I330 HydrophobicContact CG-CD1 4.31Å; Y326-I330 VanDerWaalsContact CZ-CD1 3.46Å; Y326-I330 WeakPolarHBondContact O-CG1 3.45Å; Y326-I330 PolarHBondContact O-N 3.36Å
327G88.6Confident89.7Confident21 Ų2180.5 Ų80.522%0.21642%0.421CS..Hα-helixtrans-59.8-42.5173.300000112.6N324 Q329 I330 L331N324-G327 PolarHBondContact O-N 2.83Å; N324-G327 PolarHBondContact OD1-N 3.04Å; G327-Q329 PolarHBondContact O-N 3.24Å; G327-I330 PolarHBondContact O-N 3.41Å; G327-L331 WeakPolarHBondContact O-CB 3.48Å; G327-L331 PolarHBondContact O-N 3.2Å
328C88.7Confident90Very high42 Ų4276.5 Ų76.528%0.28440%0.402SS..Hα-helixtrans-59-45.3174-68.80000112.3A320 D321 N324 R325 Y326 L331 S332A320-C328 HydrophobicContact CB-CB 4.18Å; A320-C328 VanDerWaalsContact CB-SG 3.53Å; D321-C328 PolarHBondContact O-SG 3.3Å; N324-C328 PolarHBondContact O-N 2.87Å; N324-C328 PolarHBondContact O-SG 2.81Å; N324-C328 VanDerWaalsContact O-SG 3.33Å; R325-C328 PolarHBondContact O-N 3.1Å; Y326-C328 VanDerWaalsContact C-N 3.34Å; Y326-C328 PolarHBondContact O-N 2.65Å; C328-L331 PolarHBondContact O-N 3.39Å; C328-S332 WeakPolarHBondContact O-CB 3.48Å; C328-S332 PolarHBondContact O-N 3.45Å
329Q90.3Very high90.2Very high137 Ų13779 Ų7964%0.6441%0.412SS*.Hα-helixtrans-64.9-43.5179.9-171.4177.28.900111.9R325 Y326 G327 S332 A333R325-Q329 PolarHBondContact O-N 3.15Å; Y326-Q329 PolarHBondContact O-N 2.89Å; G327-Q329 PolarHBondContact O-N 3.24Å; Q329-S332 PolarHBondContact O-N 3.2Å; Q329-A333 WeakPolarHBondContact O-CB 3.45Å; Q329-A333 PolarHBondContact O-N 3.3Å
330I91.3Very high90.3Very high85 Ų8578 Ų7844%0.43642%0.42SS..Hα-helixtrans-63.6-48.5177.2-69.2168000110.8Y326 G327 S332 A333 L334Y326-I330 HydrophobicContact CD1-CD1 3.63Å; Y326-I330 HydrophobicContact CE1-CD1 3.16Å; Y326-I330 HydrophobicContact CE1-CG1 4.3Å; Y326-I330 HydrophobicContact CE2-CD1 4.16Å; Y326-I330 HydrophobicContact CG-CD1 4.31Å; Y326-I330 VanDerWaalsContact CZ-CD1 3.46Å; Y326-I330 WeakPolarHBondContact O-CG1 3.45Å; Y326-I330 PolarHBondContact O-N 3.36Å; G327-I330 PolarHBondContact O-N 3.41Å; I330-S332 VanDerWaalsContact C-N 3.32Å; I330-S332 PolarHBondContact O-N 3.36Å; I330-A333 PolarHBondContact O-N 2.99Å; I330-L334 WeakPolarHBondContact O-CB 3.46Å; I330-L334 PolarHBondContact O-N 3.13Å
331L90.8Very high90.4Very high40 Ų4080.4 Ų80.421%0.20943%0.432CS..Hα-helixtrans-63.7-41.6-179.1-175.863.9000111A320 G327 C328 L334 I335A320-L331 HydrophobicContact CB-CB 4.2Å; A320-L331 HydrophobicContact CB-CD2 3.72Å; A320-L331 VanDerWaalsContact N-CD2 3.29Å; G327-L331 WeakPolarHBondContact O-CB 3.48Å; G327-L331 PolarHBondContact O-N 3.2Å; C328-L331 PolarHBondContact O-N 3.39Å; L331-L334 PolarHBondContact O-N 3.18Å; L331-I335 HydrophobicContact CD1-CD1 4.38Å; L331-I335 HydrophobicContact CD1-CG1 4.46Å; L331-I335 HydrophobicContact CD2-CD1 4.41Å; L331-I335 HydrophobicContact CG-CD1 3.86Å; L331-I335 HydrophobicContact CG-CG1 4.39Å; L331-I335 WeakPolarHBondContact O-CB 3.44Å; L331-I335 VanDerWaalsContact O-CG1 3.22Å; L331-I335 WeakPolarHBondContact O-CG1 3.03Å; L331-I335 PolarHBondContact O-N 3.49Å
332S91.4Very high90.1Very high20 Ų2081.4 Ų81.414%0.1443%0.433CS..Hα-helixtrans-60.8-44.8175.2176.80000111.8C328 Q329 I330 L334 I335 R336 E371C328-S332 WeakPolarHBondContact O-CB 3.48Å; C328-S332 PolarHBondContact O-N 3.45Å; Q329-S332 PolarHBondContact O-N 3.2Å; I330-S332 VanDerWaalsContact C-N 3.32Å; I330-S332 PolarHBondContact O-N 3.36Å; S332-L334 PolarHBondContact O-N 3.36Å; S332-I335 PolarHBondContact O-N 3Å; S332-R336 WeakPolarHBondContact O-CG 3.41Å; S332-R336 PolarHBondContact O-N 3.46Å; S332-R336 VanDerWaalsContact OG-CZ 3.23Å; S332-R336 PolarHBondContact OG-NH1 2.95Å; S332-R336 PolarHBondContact OG-NH2 3.43Å; S332-E371 WeakPolarHBondContact CB-OE2 3.29Å; S332-E371 PolarHBondContact OG-OE2 2.82Å
333A93Very high90.1Very high57 Ų5780 Ų8047%0.47142%0.415SS..Hα-helixtrans-60.9-43.5174.900000111.9Q329 I330 R336 A337Q329-A333 WeakPolarHBondContact O-CB 3.45Å; Q329-A333 PolarHBondContact O-N 3.3Å; I330-A333 PolarHBondContact O-N 2.99Å; A333-R336 PolarHBondContact O-N 3.4Å; A333-A337 VanDerWaalsContact O-CB 3.29Å; A333-A337 WeakPolarHBondContact O-CB 3.19Å; A333-A337 PolarHBondContact O-N 3.44Å
334L91.9Very high89.8Confident61 Ų6175.7 Ų75.732%0.31938%0.384SS..Hα-helixtrans-63.4-46176.6-177.465.9000111.8I330 L331 S332 R336 A337 C338 M373I330-L334 WeakPolarHBondContact O-CB 3.46Å; I330-L334 PolarHBondContact O-N 3.13Å; L331-L334 PolarHBondContact O-N 3.18Å; S332-L334 PolarHBondContact O-N 3.36Å; L334-R336 PolarHBondContact O-N 3.28Å; L334-A337 PolarHBondContact O-N 3.33Å; L334-C338 WeakPolarHBondContact O-CB 3.37Å; L334-C338 PolarHBondContact O-N 2.76Å; L334-C338 PolarHBondContact O-SG 3.24Å; L334-C338 VanDerWaalsContact O-SG 3.33Å; L334-M373 HydrophobicContact CD2-CE 4.01Å; L334-M373 HydrophobicContact CG-CE 3.83Å
335I92.5Very high89.5Confident1 Ų171.7 Ų71.71%0.00536%0.363CS..Hα-helixtrans-57.6-49.3177.7-72.1165000110.4L331 S332 C338 H339 P364 I366 E371 M373L331-I335 HydrophobicContact CD1-CD1 4.38Å; L331-I335 HydrophobicContact CD1-CG1 4.46Å; L331-I335 HydrophobicContact CD2-CD1 4.41Å; L331-I335 HydrophobicContact CG-CD1 3.86Å; L331-I335 HydrophobicContact CG-CG1 4.39Å; L331-I335 WeakPolarHBondContact O-CB 3.44Å; L331-I335 VanDerWaalsContact O-CG1 3.22Å; L331-I335 WeakPolarHBondContact O-CG1 3.03Å; L331-I335 PolarHBondContact O-N 3.49Å; S332-I335 PolarHBondContact O-N 3Å; I335-C338 PolarHBondContact O-N 2.99Å; I335-H339 WeakPolarHBondContact O-CB 3.44Å; I335-H339 PolarHBondContact O-N 2.97Å; I335-P364 HydrophobicContact CG2-CB 3.85Å; I335-I366 HydrophobicContact CG2-CD1 4.17Å; I335-I366 HydrophobicContact CG2-CG1 3.69Å; I335-E371 HydrophobicContact CD1-CB 4.19Å; I335-M373 HydrophobicContact CB-CE 4.35Å; I335-M373 HydrophobicContact CD1-CG 4.14Å; I335-M373 HydrophobicContact CG1-CE 3.66Å; I335-M373 HydrophobicContact CG1-CG 3.58Å; I335-M373 HydrophobicContact CG1-SD 4.39Å
336R93Very high89.1Confident129 Ų12963.1 Ų63.149%0.48733%0.333SS..Hα-helixtrans-66.3-38.9-179.7-68.3-169.2-169.2112.5-1.6112.2S332 A333 L334 H339 S340 I366 E371S332-R336 WeakPolarHBondContact O-CG 3.41Å; S332-R336 PolarHBondContact O-N 3.46Å; S332-R336 VanDerWaalsContact OG-CZ 3.23Å; S332-R336 PolarHBondContact OG-NH1 2.95Å; S332-R336 PolarHBondContact OG-NH2 3.43Å; A333-R336 PolarHBondContact O-N 3.4Å; L334-R336 PolarHBondContact O-N 3.28Å; R336-H339 PolarHBondContact O-N 3.32Å; R336-S340 WeakPolarHBondContact O-CB 3.49Å; R336-S340 PolarHBondContact O-N 2.86Å; R336-S340 PolarHBondContact O-OG 3.01Å; R336-I366 HydrophobicContact CG-CD1 4.09Å; R336-E371 IonicContact CZ-OE1 3.85Å; R336-E371 IonicContact CZ-OE2 2.77Å; R336-E371 IonicContact NE-OE1 2.93Å; R336-E371 PolarHBondContact NE-OE1 3.31Å; R336-E371 IonicContact NE-OE2 2.72Å; R336-E371 IonicContact NH1-OE2 3.83Å; R336-E371 IonicContact NH2-OE1 3.26Å; R336-E371 PolarHBondContact NH2-OE1 3.37Å; R336-E371 IonicContact NH2-OE2 3.41Å; R336-E371 PolarHBondContact NH2-OE2 3.24Å; R336-E371 VanDerWaalsContact NH2-OE2 3.15Å
337A92.8Very high88.8Confident46 Ų4655.3 Ų55.338%0.3830%0.303SS..Hα-helixtrans-65.4-44.4175.900000112.2A333 L334 H339 S340 T341A333-A337 VanDerWaalsContact O-CB 3.29Å; A333-A337 WeakPolarHBondContact O-CB 3.19Å; A333-A337 PolarHBondContact O-N 3.44Å; L334-A337 PolarHBondContact O-N 3.33Å; A337-H339 VanDerWaalsContact C-N 3.3Å; A337-H339 PolarHBondContact O-N 2.92Å; A337-S340 PolarHBondContact O-N 2.94Å; A337-S340 PolarHBondContact O-OG 2.66Å; A337-T341 WeakPolarHBondContact O-CB 3.48Å; A337-T341 WeakPolarHBondContact O-CG2 3.45Å; A337-T341 PolarHBondContact O-N 3.37Å; A337-T341 PolarHBondContact O-OG1 3.3Å
338C89.1Confident88.6Confident5 Ų556.4 Ų56.43%0.03430%0.301CS..Hα-helixtrans-61.6-39.8174-73.40000111.7L334 I335 E342 K343 P364 M373L334-C338 WeakPolarHBondContact O-CB 3.37Å; L334-C338 PolarHBondContact O-N 2.76Å; L334-C338 PolarHBondContact O-SG 3.24Å; L334-C338 VanDerWaalsContact O-SG 3.33Å; I335-C338 PolarHBondContact O-N 2.99Å; C338-E342 PolarHBondContact O-N 2.78Å; C338-E342 VanDerWaalsContact O-N 3.16Å; C338-K343 VanDerWaalsContact CB-O 3.28Å; C338-K343 WeakPolarHBondContact CB-O 3.22Å; C338-K343 PolarHBondContact O-N 3Å; C338-P364 HydrophobicContact CB-CB 4.39Å; C338-P364 HydrophobicContact CB-CG 4.12Å; C338-M373 HydrophobicContact CB-CE 4.45Å
339H87.5Confident88.3Confident93 Ų9357 Ų5743%0.43130%0.297SS..Hα-helixtrans-66.5-47.2176.6-172.2-91.3000112.2I335 R336 A337 E342 P364 I366I335-H339 WeakPolarHBondContact O-CB 3.44Å; I335-H339 PolarHBondContact O-N 2.97Å; R336-H339 PolarHBondContact O-N 3.32Å; A337-H339 VanDerWaalsContact C-N 3.3Å; A337-H339 PolarHBondContact O-N 2.92Å; H339-E342 PolarHBondContact O-N 2.64Å; H339-P364 HydrophobicContact CB-CB 4.21Å; H339-P364 HydrophobicContact CB-CG 4.16Å; H339-I366 HydrophobicContact CB-CD1 3.79Å
340S91Very high88Confident93 Ų9350.5 Ų50.565%0.6527%0.267SS*.Hα-helixtrans-71-30.3-178.165.90000113.6R336 A337R336-S340 WeakPolarHBondContact O-CB 3.49Å; R336-S340 PolarHBondContact O-N 2.86Å; R336-S340 PolarHBondContact O-OG 3.01Å; A337-S340 PolarHBondContact O-N 2.94Å; A337-S340 PolarHBondContact O-OG 2.66Å
341T88Confident87.4Confident76 Ų7654.8 Ų54.847%0.46628%0.279SS..THydrogen-bonded Turntrans-91.70.1178.760.30000113.6A337 K343A337-T341 WeakPolarHBondContact O-CB 3.48Å; A337-T341 WeakPolarHBondContact O-CG2 3.45Å; A337-T341 PolarHBondContact O-N 3.37Å; A337-T341 PolarHBondContact O-OG1 3.3Å; T341-K343 PolarHBondContact O-N 3.48Å
342E81.8Confident86.8Confident120 Ų12054.5 Ų54.556%0.56128%0.281SS*.THydrogen-bonded Turntrans51.533.9-174.6-58.8-169.4160.500113.8R287 C338 H339R287-E342 HydrophobicContact CB-CB 4.42Å; R287-E342 VanDerWaalsContact CB-O 3.25Å; R287-E342 WeakPolarHBondContact CB-O 3.48Å; R287-E342 PolarHBondContact N-O 3.23Å; C338-E342 PolarHBondContact O-N 2.78Å; C338-E342 VanDerWaalsContact O-N 3.16Å; H339-E342 PolarHBondContact O-N 2.64Å
343K83.5Confident85.9Confident90 Ų9056.2 Ų56.239%0.39130%0.295SS..EExtended strand (participates in β ladder)trans-106.3136.6179.1-73.4-178.4-176.6-179.30110.8F284 I285 C338 T341F284-K343 HydrophobicContact CB-CB 4.23Å; F284-K343 HydrophobicContact CB-CD 4.2Å; F284-K343 HydrophobicContact CD1-CB 4.35Å; I285-K343 CarbonylContact O-C 3.51Å; I285-K343 WeakPolarHBondContact O-CA 3.19Å; C338-K343 VanDerWaalsContact CB-O 3.28Å; C338-K343 WeakPolarHBondContact CB-O 3.22Å; C338-K343 PolarHBondContact O-N 3Å; T341-K343 PolarHBondContact O-N 3.48Å
344L84.3Confident85Confident4 Ų458.1 Ų58.12%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-106.5125.8176-56.9176.3000109.3F284 I285 R287 V305 L346 V361 I363F284-L344 CarbonylContact C-O 3.47Å; F284-L344 WeakPolarHBondContact CA-O 3.36Å; I285-L344 HydrophobicContact CD1-CB 4.44Å; I285-L344 HydrophobicContact CG1-CB 3.82Å; I285-L344 WeakPolarHBondContact CG1-O 3.24Å; I285-L344 PolarHBondContact N-O 3.33Å; I285-L344 PolarHBondContact O-N 3.24Å; R287-L344 HydrophobicContact CB-CD1 4.2Å; R287-L344 HydrophobicContact CB-CG 4.13Å; R287-L344 HydrophobicContact CG-CD1 4.13Å; R287-L344 HydrophobicContact CG-CG 4.39Å; V305-L344 HydrophobicContact CB-CD1 4.33Å; V305-L344 HydrophobicContact CG2-CD1 3.77Å; L344-L346 PolarHBondContact O-N 3.01Å; L344-V361 HydrophobicContact CB-CG1 3.75Å; L344-V361 HydrophobicContact CD1-CG1 4.02Å; L344-V361 HydrophobicContact CG-CG1 4.44Å; L344-I363 HydrophobicContact CD2-CG2 4.44Å
345P85.6Confident84.2Confident1 Ų156.3 Ų56.31%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-66.2125.5172.1-18.629.4000111.2V281 F284 V347 L362 M373V281-P345 HydrophobicContact CG1-CB 4.32Å; F284-P345 HydrophobicContact CD1-CB 4.29Å; F284-P345 HydrophobicContact CD1-CG 4.11Å; F284-P345 HydrophobicContact CE1-CB 4.17Å; F284-P345 HydrophobicContact CE1-CG 3.87Å; P345-V347 HydrophobicContact CB-CG1 4Å; P345-L362 HydrophobicContact CB-CB 4.19Å; P345-L362 HydrophobicContact CB-CD1 4.47Å; P345-L362 WeakPolarHBondContact CD-O 3.38Å; P345-L362 HydrophobicContact CG-CB 4.18Å; P345-L362 PolarHBondContact O-N 2.78Å; P345-M373 HydrophobicContact CG-CE 4.26Å; P345-M373 HydrophobicContact CG-SD 4.46Å
346L84.2Confident83.6Confident41 Ų4162 Ų6222%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-87.3120.3164.9-173.568.6000108L282 G283 I285 L344 L359 V361L282-L346 PolarHBondContact N-O 3.4Å; G283-L346 PolarHBondContact N-O 2.91Å; G283-L346 PolarHBondContact O-N 3.12Å; I285-L346 HydrophobicContact CG2-CB 4.44Å; L344-L346 PolarHBondContact O-N 3.01Å; L346-L359 HydrophobicContact CD1-CD1 3.8Å; L346-L359 HydrophobicContact CD1-CD2 4.01Å; L346-L359 HydrophobicContact CD1-CG 3.74Å; L346-L359 HydrophobicContact CD2-CD1 4.13Å; L346-L359 HydrophobicContact CD2-CD2 4.46Å; L346-L359 HydrophobicContact CG-CD1 3.79Å; L346-L359 HydrophobicContact CG-CG 4.29Å; L346-V361 HydrophobicContact CD1-CG2 3.92Å
347V84.6Confident83.1Confident0 Ų057.8 Ų57.80%032%0.316CS..EExtended strand (participates in β ladder)trans-125.3140.1-172.2-53.60000112.4I279 Q280 V281 P345 C360 L362I279-V347 HydrophobicContact CG2-CB 3.69Å; I279-V347 HydrophobicContact CG2-CG1 3.96Å; I279-V347 HydrophobicContact CG2-CG2 3.79Å; Q280-V347 CarbonylContact O-C 3.51Å; Q280-V347 WeakPolarHBondContact O-CA 3.47Å; Q280-V347 WeakPolarHBondContact O-CB 3.18Å; V281-V347 HydrophobicContact CG2-CG1 4.02Å; P345-V347 HydrophobicContact CB-CG1 4Å; V347-C360 HydrophobicContact CG2-CB 3.8Å; V347-C360 WeakPolarHBondContact CG2-O 3.26Å; V347-C360 PolarHBondContact N-O 3.09Å; V347-C360 PolarHBondContact O-N 2.88Å; V347-L362 HydrophobicContact CB-CG 4.47Å; V347-L362 HydrophobicContact CG1-CD1 3.63Å; V347-L362 HydrophobicContact CG1-CG 3.75Å; V347-L362 HydrophobicContact CG2-CD1 4.24Å; V347-L362 HydrophobicContact CG2-CD2 3.93Å; V347-L362 HydrophobicContact CG2-CG 3.81Å
348R85.2Confident82.3Confident44 Ų4462.3 Ų62.317%0.16632%0.324CS..EExtended strand (participates in β ladder)trans-82.6119.6163175.4-178172.5-1307108Y272 I279 Q280 L282 V350 P357Y272-R348 PolarHBondContact OH-NH2 3.41Å; I279-R348 WeakPolarHBondContact CA-O 3.45Å; Q280-R348 HydrophobicContact CB-CB 4.45Å; Q280-R348 PolarHBondContact N-O 3.13Å; Q280-R348 PolarHBondContact O-N 2.91Å; L282-R348 HydrophobicContact CD1-CB 4.1Å; L282-R348 HydrophobicContact CD2-CB 4.2Å; L282-R348 HydrophobicContact CG-CB 4.14Å; R348-V350 HydrophobicContact CG-CG2 4.24Å; R348-P357 HydrophobicContact CG-CB 3.9Å
349Y83.6Confident81.7Confident53 Ų5366 Ų6621%0.20834%0.342CS..EExtended strand (participates in β ladder)trans-107124.2174.6172.2-109.5000111I279 Y351 R358 K375I279-Y349 HydrophobicContact CD1-CD2 4.4Å; I279-Y349 HydrophobicContact CG1-CD2 3.74Å; I279-Y349 HydrophobicContact CG1-CE2 4.42Å; Y349-Y351 VanDerWaalsContact OH-CD2 3.27Å; Y349-Y351 WeakPolarHBondContact OH-CD2 3.32Å; Y349-R358 HydrophobicContact CD1-CB 4.46Å; Y349-R358 PolarHBondContact N-O 3.15Å; Y349-R358 PolarHBondContact O-N 3.17Å; Y349-K375 VanDerWaalsContact CG-CE 3.46Å
350V83.1Confident81.3Confident2 Ų261.6 Ų61.61%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-125.9117.7174.2174.10000107.9S274 G278 R348 S352 P357S274-V350 WeakPolarHBondContact OG-CG1 3.44Å; G278-V350 PolarHBondContact N-O 3.06Å; G278-V350 PolarHBondContact O-N 3.46Å; R348-V350 HydrophobicContact CG-CG2 4.24Å; V350-S352 WeakPolarHBondContact CG1-O 2.83Å; V350-P357 HydrophobicContact CG2-CB 3.79Å
351Y78.5Confident80.8Confident174 Ų17457.2 Ų57.268%0.68229%0.292SS*.SBendtrans-73.8-46.4180178.3-111.9000111.7Y349 S355Y349-Y351 VanDerWaalsContact OH-CD2 3.27Å; Y349-Y351 WeakPolarHBondContact OH-CD2 3.32Å; Y351-S355 PolarHBondContact N-OG 3.19Å
352S78.5Confident80.6Confident35 Ų3554.1 Ų54.125%0.24527%0.272CS..SBendtrans-138.6160.9177.764.10000110.6S274 V350 S354 S355S274-S352 PolarHBondContact OG-O 2.93Å; V350-S352 WeakPolarHBondContact CG1-O 2.83Å; S352-S354 PolarHBondContact O-N 3.5Å; S352-S354 VanDerWaalsContact O-N 3.1Å; S352-S354 PolarHBondContact OG-OG 3.44Å; S352-S355 PolarHBondContact N-OG 3.25Å; S352-S355 WeakPolarHBondContact O-CB 3.26Å; S352-S355 PolarHBondContact O-N 3.28Å; S352-S355 PolarHBondContact O-OG 3.44Å; S352-S355 WeakPolarHBondContact OG-CB 3.45Å; S352-S355 PolarHBondContact OG-N 2.94Å
353A72.9Confident80.7Confident55 Ų5549.3 Ų49.346%0.45525%0.25SS..THydrogen-bonded Turntrans-54.6-30.9176.500000112.9S274S274-A353 PolarHBondContact N-O 3.49Å; S274-A353 WeakPolarHBondContact O-CA 3.31Å; S274-A353 VanDerWaalsContact OG-CA 3.25Å; S274-A353 WeakPolarHBondContact OG-CA 3.28Å; S274-A353 PolarHBondContact OG-O 2.92Å
354S73Confident80.9Confident97 Ų9745.4 Ų45.468%0.67823%0.234SC*.THydrogen-bonded Turntrans-83.6-8175.956.50000115.2S352S352-S354 PolarHBondContact O-N 3.5Å; S352-S354 VanDerWaalsContact O-N 3.1Å; S352-S354 PolarHBondContact OG-OG 3.44Å
355S76.6Confident80.9Confident24 Ų2446.7 Ų46.717%0.16824%0.242CC..SBendtrans-86.5144.4-176.370.80000111.8Y351 S352Y351-S355 PolarHBondContact N-OG 3.19Å; S352-S355 PolarHBondContact N-OG 3.25Å; S352-S355 WeakPolarHBondContact O-CB 3.26Å; S352-S355 PolarHBondContact O-N 3.28Å; S352-S355 PolarHBondContact O-OG 3.44Å; S352-S355 WeakPolarHBondContact OG-CB 3.45Å; S352-S355 PolarHBondContact OG-N 2.94Å
356I78.5Confident81.1Confident119 Ų11949.9 Ų49.961%0.6126%0.258SS*.PPolyproline II helixtrans-68.4129.3175.3-58.9168.5000108.3R358I356-R358 PolarHBondContact O-N 2.9Å
357P82.8Confident81.2Confident41 Ų4153.1 Ų53.127%0.26627%0.271SS..PPolyproline II helixtrans-60.4130.2176.925.4-34.5000110.1Y272 R348 V350Y272-P357 HydrophobicContact CD1-CG 3.86Å; Y272-P357 HydrophobicContact CE1-CG 3.63Å; R348-P357 HydrophobicContact CG-CB 3.9Å; V350-P357 HydrophobicContact CG2-CB 3.79Å
358R76.1Confident81.3Confident142 Ų14259.8 Ų59.854%0.53631%0.311SS..EExtended strand (participates in β ladder)trans-106137.3175.1-62.5-173.3-178.2-176.70.1109.6Y349 I356Y349-R358 HydrophobicContact CD1-CB 4.46Å; Y349-R358 PolarHBondContact N-O 3.15Å; Y349-R358 PolarHBondContact O-N 3.17Å; I356-R358 PolarHBondContact O-N 2.9Å
359L77.5Confident81.3Confident81 Ų8164.7 Ų64.742%0.42434%0.341SS..EExtended strand (participates in β ladder)trans-82125.5170.6-163.964.8000108.8L282 L346 M378L282-L359 HydrophobicContact CD1-CD1 3.85Å; L346-L359 HydrophobicContact CD1-CD1 3.8Å; L346-L359 HydrophobicContact CD1-CD2 4.01Å; L346-L359 HydrophobicContact CD1-CG 3.74Å; L346-L359 HydrophobicContact CD2-CD1 4.13Å; L346-L359 HydrophobicContact CD2-CD2 4.46Å; L346-L359 HydrophobicContact CG-CD1 3.79Å; L346-L359 HydrophobicContact CG-CG 4.29Å; L359-M378 PolarHBondContact O-N 3.03Å
360C77.6Confident81.4Confident1 Ų166 Ų661%0.00735%0.346CS..EExtended strand (participates in β ladder)trans-131.2154.2-179.9-60.30000109.8V347 K375 R376V347-C360 HydrophobicContact CG2-CB 3.8Å; V347-C360 WeakPolarHBondContact CG2-O 3.26Å; V347-C360 PolarHBondContact N-O 3.09Å; V347-C360 PolarHBondContact O-N 2.88Å; C360-K375 HydrophobicContact CB-CG 4.04Å; C360-R376 CarbonylContact C-O 3.59Å; C360-R376 VanDerWaalsContact CA-O 3.23Å; C360-R376 WeakPolarHBondContact CA-O 3.18Å; C360-R376 WeakPolarHBondContact CB-O 3.11Å
361V80.3Confident81.6Confident2 Ų268.1 Ų68.11%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-109.5137.4170179.40000107.9I285 V305 L344 L346 R376 M378I285-V361 HydrophobicContact CD1-CG1 4.17Å; I285-V361 HydrophobicContact CD1-CG2 3.91Å; V305-V361 HydrophobicContact CG2-CG1 4.42Å; L344-V361 HydrophobicContact CB-CG1 3.75Å; L344-V361 HydrophobicContact CD1-CG1 4.02Å; L344-V361 HydrophobicContact CG-CG1 4.44Å; L346-V361 HydrophobicContact CD1-CG2 3.92Å; V361-R376 PolarHBondContact N-O 2.74Å; V361-R376 PolarHBondContact O-N 3.46Å; V361-M378 HydrophobicContact CG2-CG 3.93Å; V361-M378 HydrophobicContact CG2-SD 3.79Å
362L84.6Confident82.1Confident10 Ų1059.9 Ų59.95%0.05232%0.324CS..EExtended strand (participates in β ladder)trans-99.3130.3173.7-59.2-171.6000110.1I279 L318 P345 V347 M373 E374 K375I279-L362 HydrophobicContact CG2-CD1 4.42Å; L318-L362 HydrophobicContact CD1-CD1 4.02Å; L318-L362 HydrophobicContact CD1-CD2 3.5Å; L318-L362 VanDerWaalsContact CD1-CD2 3.5Å; L318-L362 HydrophobicContact CD1-CG 4.42Å; P345-L362 HydrophobicContact CB-CB 4.19Å; P345-L362 HydrophobicContact CB-CD1 4.47Å; P345-L362 WeakPolarHBondContact CD-O 3.38Å; P345-L362 HydrophobicContact CG-CB 4.18Å; P345-L362 PolarHBondContact O-N 2.78Å; V347-L362 HydrophobicContact CB-CG 4.47Å; V347-L362 HydrophobicContact CG1-CD1 3.63Å; V347-L362 HydrophobicContact CG1-CG 3.75Å; V347-L362 HydrophobicContact CG2-CD1 4.24Å; V347-L362 HydrophobicContact CG2-CD2 3.93Å; V347-L362 HydrophobicContact CG2-CG 3.81Å; L362-M373 HydrophobicContact CB-CB 4.25Å; L362-M373 HydrophobicContact CB-SD 3.76Å; L362-M373 HydrophobicContact CD1-SD 3.64Å; L362-M373 HydrophobicContact CG-SD 4.33Å; L362-E374 CarbonylContact C-O 3.59Å; L362-E374 WeakPolarHBondContact CA-O 3.47Å; L362-K375 HydrophobicContact CD2-CB 3.59Å; L362-K375 HydrophobicContact CD2-CG 3.89Å
363I83.4Confident82.5Confident19 Ų1958.3 Ų58.310%0.09731%0.312CS..EExtended strand (participates in β ladder)trans-111.8120.3179.5-50.3172.2000108.2F310 L344 V365 M373 E374 R376F310-I363 HydrophobicContact CD1-CD1 3.84Å; F310-I363 HydrophobicContact CE1-CD1 3.34Å; F310-I363 HydrophobicContact CE1-CG1 4.27Å; F310-I363 HydrophobicContact CZ-CD1 4.01Å; L344-I363 HydrophobicContact CD2-CG2 4.44Å; I363-V365 PolarHBondContact O-N 2.96Å; I363-M373 CarbonylContact O-C 3.5Å; I363-M373 WeakPolarHBondContact O-CA 3.33Å; I363-E374 HydrophobicContact CB-CB 4.28Å; I363-E374 PolarHBondContact N-O 3.05Å; I363-E374 PolarHBondContact O-N 3.34Å; I363-R376 HydrophobicContact CD1-CG 4.47Å
364P88.4Confident82.8Confident8 Ų856.9 Ų56.95%0.05230%0.296CS..EExtended strand (participates in β ladder)trans-68.8125.6177.227.8-32.6000110.3I335 C338 H339I335-P364 HydrophobicContact CG2-CB 3.85Å; C338-P364 HydrophobicContact CB-CB 4.39Å; C338-P364 HydrophobicContact CB-CG 4.12Å; H339-P364 HydrophobicContact CB-CB 4.21Å; H339-P364 HydrophobicContact CB-CG 4.16Å
365V84.6Confident82.9Confident31 Ų3152.8 Ų52.819%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-119.9111.5175.7178.90000108.3I363 K367 C372 E374I363-V365 PolarHBondContact O-N 2.96Å; V365-K367 HydrophobicContact CG1-CG 4.07Å; V365-C372 PolarHBondContact N-O 3.2Å; V365-C372 PolarHBondContact O-N 3.39Å; V365-C372 VanDerWaalsContact O-O 3.13Å; V365-E374 HydrophobicContact CG2-CB 4.03Å
366I88.8Confident82.6Confident68 Ų6855.2 Ų55.235%0.34927%0.272SS..EExtended strand (participates in β ladder)trans-109.1113.4177.6-58.3171.9000107.3I335 R336 H339 E371I335-I366 HydrophobicContact CG2-CD1 4.17Å; I335-I366 HydrophobicContact CG2-CG1 3.69Å; R336-I366 HydrophobicContact CG-CD1 4.09Å; H339-I366 HydrophobicContact CB-CD1 3.79Å; I366-E371 HydrophobicContact CG2-CG 4.23Å
367K87.1Confident82Confident110 Ų11050.6 Ų50.648%0.47825%0.252SS..  trans-118.7167.9172.4-63.9-164.8-171.7167.80109.8V365 N369 Y370V365-K367 HydrophobicContact CG1-CG 4.07Å; K367-N369 PolarHBondContact O-N 2.81Å; K367-Y370 CarbonylContact C-O 3.59Å; K367-Y370 HydrophobicContact CB-CE1 4.44Å; K367-Y370 HydrophobicContact CB-CE2 4.49Å; K367-Y370 HydrophobicContact CD-CE1 4.04Å; K367-Y370 HydrophobicContact CD-CE2 4.14Å; K367-Y370 WeakPolarHBondContact CD-OH 3.05Å; K367-Y370 WeakPolarHBondContact CE-OH 3.39Å; K367-Y370 HydrophobicContact CG-CE2 4.35Å; K367-Y370 PolarHBondContact N-O 3.48Å; K367-Y370 PolarHBondContact NZ-OH 2.9Å
368T85.6Confident80.8Confident139 Ų13951.3 Ų51.385%0.85325%0.252SS*.SBendtrans-58-35.8-178.153.50000113.3
369N85.5Confident79.7Confident147 Ų14748.1 Ų48.179%0.78624%0.243SC*.SBendtrans-102.9-15.7-171.6-59.22.3000113K367K367-N369 PolarHBondContact O-N 2.81Å
370Y86.3Confident78.3Confident80 Ų8050 Ų5031%0.31426%0.26SS..  trans-158.5155.1-178.264.4-96.7000112.5F319 K367 C372F319-Y370 AromaticContact CE1-CD2 3.81Å; F319-Y370 HydrophobicContact CE1-CD2 3.81Å; F319-Y370 HydrophobicContact CE1-CE2 4.44Å; F319-Y370 HydrophobicContact CE1-CG 4.21Å; F319-Y370 HydrophobicContact CZ-CD2 4.22Å; F319-Y370 HydrophobicContact CZ-CE2 4.42Å; K367-Y370 CarbonylContact C-O 3.59Å; K367-Y370 HydrophobicContact CB-CE1 4.44Å; K367-Y370 HydrophobicContact CB-CE2 4.49Å; K367-Y370 HydrophobicContact CD-CE1 4.04Å; K367-Y370 HydrophobicContact CD-CE2 4.14Å; K367-Y370 WeakPolarHBondContact CD-OH 3.05Å; K367-Y370 WeakPolarHBondContact CE-OH 3.39Å; K367-Y370 HydrophobicContact CG-CE2 4.35Å; K367-Y370 PolarHBondContact N-O 3.48Å; K367-Y370 PolarHBondContact NZ-OH 2.9Å; Y370-C372 HydrophobicContact CD2-CB 4.38Å
371E87.5Confident76.9Confident48 Ų4858.6 Ų58.622%0.22430%0.3CS..EExtended strand (participates in β ladder)trans-120.4130.5170.1-62.2-176.7163.400108.5S332 I335 R336 I366S332-E371 WeakPolarHBondContact CB-OE2 3.29Å; S332-E371 PolarHBondContact OG-OE2 2.82Å; I335-E371 HydrophobicContact CD1-CB 4.19Å; R336-E371 IonicContact CZ-OE1 3.85Å; R336-E371 IonicContact CZ-OE2 2.77Å; R336-E371 IonicContact NE-OE1 2.93Å; R336-E371 PolarHBondContact NE-OE1 3.31Å; R336-E371 IonicContact NE-OE2 2.72Å; R336-E371 IonicContact NH1-OE2 3.83Å; R336-E371 IonicContact NH2-OE1 3.26Å; R336-E371 PolarHBondContact NH2-OE1 3.37Å; R336-E371 IonicContact NH2-OE2 3.41Å; R336-E371 PolarHBondContact NH2-OE2 3.24Å; R336-E371 VanDerWaalsContact NH2-OE2 3.15Å; I366-E371 HydrophobicContact CG2-CG 4.23Å
372C88.4Confident75.6Confident0 Ų061.6 Ų61.60%031%0.314CS..EExtended strand (participates in β ladder)trans-150169.5177.268.70000111.6L318 F319 V365 Y370L318-C372 WeakPolarHBondContact O-CA 2.92Å; L318-C372 VanDerWaalsContact O-CB 3.27Å; L318-C372 WeakPolarHBondContact O-CB 3.31Å; F319-C372 HydrophobicContact CD1-CB 3.63Å; F319-C372 HydrophobicContact CE1-CB 3.38Å; F319-C372 HydrophobicContact CE2-CB 4.31Å; F319-C372 HydrophobicContact CG-CB 4.21Å; F319-C372 HydrophobicContact CZ-CB 3.75Å; V365-C372 PolarHBondContact N-O 3.2Å; V365-C372 PolarHBondContact O-N 3.39Å; V365-C372 VanDerWaalsContact O-O 3.13Å; Y370-C372 HydrophobicContact CD2-CB 4.38Å
373M87Confident73.8Confident2 Ų266.4 Ų66.41%0.0135%0.346CS..EExtended strand (participates in β ladder)trans-107.5125.4167.6-70.2-166.3169.500110.2L318 L334 I335 C338 P345 L362 I363 K375L318-M373 HydrophobicContact CB-CB 4.31Å; L318-M373 WeakPolarHBondContact CB-O 3.05Å; L318-M373 HydrophobicContact CD1-CB 4.49Å; L318-M373 PolarHBondContact N-O 2.94Å; L318-M373 PolarHBondContact O-N 3.09Å; L318-M373 VanDerWaalsContact O-N 3.1Å; L334-M373 HydrophobicContact CD2-CE 4.01Å; L334-M373 HydrophobicContact CG-CE 3.83Å; I335-M373 HydrophobicContact CB-CE 4.35Å; I335-M373 HydrophobicContact CD1-CG 4.14Å; I335-M373 HydrophobicContact CG1-CE 3.66Å; I335-M373 HydrophobicContact CG1-CG 3.58Å; I335-M373 HydrophobicContact CG1-SD 4.39Å; C338-M373 HydrophobicContact CB-CE 4.45Å; P345-M373 HydrophobicContact CG-CE 4.26Å; P345-M373 HydrophobicContact CG-SD 4.46Å; L362-M373 HydrophobicContact CB-CB 4.25Å; L362-M373 HydrophobicContact CB-SD 3.76Å; L362-M373 HydrophobicContact CD1-SD 3.64Å; L362-M373 HydrophobicContact CG-SD 4.33Å; I363-M373 CarbonylContact O-C 3.5Å; I363-M373 WeakPolarHBondContact O-CA 3.33Å; M373-K375 PolarHBondContact O-N 3.35Å
374E79.2Confident72.3Confident26 Ų2671 Ų7112%0.12137%0.37CS..EExtended strand (participates in β ladder)trans-80117.4169.6-171.7-180-175.900109.1S315 L362 I363 V365 R376S315-E374 WeakPolarHBondContact CB-OE1 3.33Å; S315-E374 PolarHBondContact OG-OE1 2.91Å; L362-E374 CarbonylContact C-O 3.59Å; L362-E374 WeakPolarHBondContact CA-O 3.47Å; I363-E374 HydrophobicContact CB-CB 4.28Å; I363-E374 PolarHBondContact N-O 3.05Å; I363-E374 PolarHBondContact O-N 3.34Å; V365-E374 HydrophobicContact CG2-CB 4.03Å; E374-R376 HydrophobicContact CG-CG 4.27Å; E374-R376 IonicContact OE1-CZ 2.82Å; E374-R376 IonicContact OE1-NE 3.86Å; E374-R376 PolarHBondContact OE1-NE 3.21Å; E374-R376 IonicContact OE1-NH2 3.79Å; E374-R376 PolarHBondContact OE1-NH2 3.24Å; E374-R376 IonicContact OE2-NE 3.73Å; E374-R376 IonicContact OE2-NH2 3.08Å
375K75.7Confident70.6Confident11 Ų1174 Ų745%0.04839%0.385CS..EExtended strand (participates in β ladder)trans-90.9120.6175.6174.8-169.2163.5-158.20109.1H316 L318 Y349 C360 L362 M373H316-K375 HydrophobicContact CB-CB 4.19Å; H316-K375 HydrophobicContact CB-CD 4.29Å; H316-K375 PolarHBondContact N-O 3.38Å; H316-K375 WeakPolarHBondContact O-CB 3.02Å; H316-K375 PolarHBondContact O-N 2.83Å; L318-K375 HydrophobicContact CD1-CB 3.98Å; L318-K375 HydrophobicContact CG-CB 4.1Å; Y349-K375 VanDerWaalsContact CG-CE 3.46Å; C360-K375 HydrophobicContact CB-CG 4.04Å; L362-K375 HydrophobicContact CD2-CB 3.59Å; L362-K375 HydrophobicContact CD2-CG 3.89Å; M373-K375 PolarHBondContact O-N 3.35Å
376R70.4Confident69.3Low75 Ų7578.2 Ų78.228%0.28341%0.413SS..EExtended strand (participates in β ladder)trans-121.7133.5169.8-59.2-141-170.3-174.66.9110.3F310 C360 V361 I363 E374F310-R376 VanDerWaalsContact CB-NH1 3.34Å; F310-R376 HydrophobicContact CD1-CB 4.33Å; F310-R376 HydrophobicContact CD1-CG 4.31Å; F310-R376 PolarHBondContact O-NH1 3.42Å; C360-R376 CarbonylContact C-O 3.59Å; C360-R376 VanDerWaalsContact CA-O 3.23Å; C360-R376 WeakPolarHBondContact CA-O 3.18Å; C360-R376 WeakPolarHBondContact CB-O 3.11Å; V361-R376 PolarHBondContact N-O 2.74Å; V361-R376 PolarHBondContact O-N 3.46Å; I363-R376 HydrophobicContact CD1-CG 4.47Å; E374-R376 HydrophobicContact CG-CG 4.27Å; E374-R376 IonicContact OE1-CZ 2.82Å; E374-R376 IonicContact OE1-NE 3.86Å; E374-R376 PolarHBondContact OE1-NE 3.21Å; E374-R376 IonicContact OE1-NH2 3.79Å; E374-R376 PolarHBondContact OE1-NH2 3.24Å; E374-R376 IonicContact OE2-NE 3.73Å; E374-R376 IonicContact OE2-NH2 3.08Å
377A65.4Low67.7Low22 Ų2280.1 Ų80.118%0.18242%0.422CS..EExtended strand (participates in β ladder)trans-80.7137.2176.500000109.7H379A377-H379 VanDerWaalsContact CB-CD2 3.47Å; A377-H379 WeakPolarHBondContact CB-CD2 3.29Å; A377-H379 WeakPolarHBondContact CB-NE2 3.45Å; A377-H379 PolarHBondContact O-N 3.23Å; A377-H379 VanDerWaalsContact O-N 3.1Å
378M58.1Low66.6Low56 Ų5678 Ų7828%0.27642%0.415SS..  trans-80.189.5171.8-62-73.9-72.500106.4V305 H309 L359 V361 P380V305-M378 HydrophobicContact CG1-SD 4.41Å; H309-M378 HydrophobicContact CB-CE 4.2Å; H309-M378 HydrophobicContact CB-SD 3.7Å; L359-M378 PolarHBondContact O-N 3.03Å; V361-M378 HydrophobicContact CG2-CG 3.93Å; V361-M378 HydrophobicContact CG2-SD 3.79Å; M378-P380 WeakPolarHBondContact O-CD 3.24Å
379H52Low66Low75 Ų7576.9 Ų76.935%0.34740%0.404SS..  trans-91.6107.4178.3-73.2-69.1000110.2A377 E382A377-H379 VanDerWaalsContact CB-CD2 3.47Å; A377-H379 WeakPolarHBondContact CB-CD2 3.29Å; A377-H379 WeakPolarHBondContact CB-NE2 3.45Å; A377-H379 PolarHBondContact O-N 3.23Å; A377-H379 VanDerWaalsContact O-N 3.1Å; H379-E382 HydrophobicContact CB-CB 3.55Å; H379-E382 IonicContact CD2-OE2 2.87Å; H379-E382 PolarHBondContact CD2-OE2 3.4Å; H379-E382 IonicContact CG-OE2 2.86Å; H379-E382 IonicContact NE2-OE2 3.31Å
380P48Very low65.3Low120 Ų12078.2 Ų78.278%0.77940%0.398SS*.SBendtrans-75-30.417425.3-30.5000113.2M378M378-P380 WeakPolarHBondContact O-CD 3.24Å
381E48.5Very low64.4Low181 Ų18180.1 Ų80.185%0.84641%0.408SS*.SBendtrans-95.8-6.1-173.1-55.9-72.715400113.6
382E52.8Low63.5Low66 Ų6681.1 Ų81.131%0.30842%0.415SS..SBendtrans-82.2129.8-177.2-162.7172.5-151.400109.5H379 L384H379-E382 HydrophobicContact CB-CB 3.55Å; H379-E382 IonicContact CD2-OE2 2.87Å; H379-E382 PolarHBondContact CD2-OE2 3.4Å; H379-E382 IonicContact CG-OE2 2.86Å; H379-E382 IonicContact NE2-OE2 3.31Å; E382-L384 PolarHBondContact O-N 2.99Å
383P47.6Very low62.7Low110 Ų11087.3 Ų87.371%0.71445%0.447SS*.PPolyproline II helixtrans-62.7139.7177.625.4-32.5000109.9L385P383-L385 PolarHBondContact O-N 3.1Å
384L51.7Low62Low116 Ų11691.5 Ų91.561%0.60748%0.481SS*.PPolyproline II helixtrans-52.8139.6174.8-63.1172.9000110.3W308 E382W308-L384 HydrophobicContact CB-CD2 3.53Å; W308-L384 HydrophobicContact CG-CD2 4.32Å; E382-L384 PolarHBondContact O-N 2.99Å
385L51.8Low61.7Low72 Ų7295.7 Ų95.738%0.37751%0.509SS..PPolyproline II helixtrans-56.6141.9171.6-71.9172.2000109.3T311 P383 M387T311-L385 HydrophobicContact CG2-CB 4.31Å; T311-L385 HydrophobicContact CG2-CD1 4.32Å; P383-L385 PolarHBondContact O-N 3.1Å; L385-M387 PolarHBondContact O-N 3.07Å
386P57.1Low61.7Low118 Ų11897.8 Ų97.877%0.76653%0.525SS*.PPolyproline II helixtrans-52.4126.1163.3-1829.3000108
387M56.8Low62Low108 Ų10897.7 Ų97.753%0.53253%0.534SS..PPolyproline II helixtrans-58.3140.1175.4-77.8-85.1-81.700108.9L385 F391 L392 V395L385-M387 PolarHBondContact O-N 3.07Å; M387-F391 HydrophobicContact CE-CB 3.68Å; M387-L392 HydrophobicContact CB-CD1 3.88Å; M387-L392 HydrophobicContact CB-CG 3.83Å; M387-L392 WeakPolarHBondContact O-CD1 3.48Å; M387-V395 HydrophobicContact CE-CG2 4.5Å
388D62.4Low62.7Low65 Ų65102.4 Ų102.435%0.34856%0.555SS.*PPolyproline II helixtrans-61137.8172.2-177.2-58.8000109.1R390 F391 L392D388-R390 PolarHBondContact O-N 3.17Å; D388-R390 VanDerWaalsContact OD1-CB 3.26Å; D388-R390 WeakPolarHBondContact OD1-CB 3.47Å; D388-R390 VanDerWaalsContact OD1-CG 3.28Å; D388-R390 WeakPolarHBondContact OD1-CG 3.41Å; D388-R390 IonicContact OD1-CZ 2.65Å; D388-R390 PolarHBondContact OD1-N 3.17Å; D388-R390 IonicContact OD1-NE 2.86Å; D388-R390 PolarHBondContact OD1-NE 2.71Å; D388-R390 IonicContact OD1-NH2 3.61Å; D388-R390 IonicContact OD2-CZ 3.2Å; D388-R390 IonicContact OD2-NE 2.85Å; D388-R390 PolarHBondContact OD2-NE 2.78Å; D388-R390 IonicContact OD2-NH2 2.85Å; D388-R390 PolarHBondContact OD2-NH2 2.68Å; D388-F391 HydrophobicContact CB-CD2 3.71Å; D388-F391 HydrophobicContact CB-CE2 4.04Å; D388-F391 PolarHBondContact O-N 3.26Å; D388-L392 PolarHBondContact O-N 2.99Å
389D72.9Confident63.8Low116 Ų116105.8 Ų105.862%0.6258%0.575SS**Hα-helixtrans-51.2-33.1-178.5-74.6-20.5000112.2F391 L392 I393D389-F391 VanDerWaalsContact C-N 3.3Å; D389-F391 PolarHBondContact O-N 2.83Å; D389-L392 CarbonylContact O-C 3.09Å; D389-L392 PolarHBondContact O-N 2.91Å; D389-I393 WeakPolarHBondContact O-CB 3.42Å; D389-I393 WeakPolarHBondContact O-CD1 3.46Å; D389-I393 WeakPolarHBondContact O-CG1 3.22Å; D389-I393 PolarHBondContact O-N 2.84Å
390R71.5Confident65.3Low175 Ų175109.6 Ų109.666%0.6659%0.592SS**Hα-helixtrans-61.8-36.8176.9-63.7174.3-67.5168.5-1112.8D388D388-R390 PolarHBondContact O-N 3.17Å; D388-R390 VanDerWaalsContact OD1-CB 3.26Å; D388-R390 WeakPolarHBondContact OD1-CB 3.47Å; D388-R390 VanDerWaalsContact OD1-CG 3.28Å; D388-R390 WeakPolarHBondContact OD1-CG 3.41Å; D388-R390 IonicContact OD1-CZ 2.65Å; D388-R390 PolarHBondContact OD1-N 3.17Å; D388-R390 IonicContact OD1-NE 2.86Å; D388-R390 PolarHBondContact OD1-NE 2.71Å; D388-R390 IonicContact OD1-NH2 3.61Å; D388-R390 IonicContact OD2-CZ 3.2Å; D388-R390 IonicContact OD2-NE 2.85Å; D388-R390 PolarHBondContact OD2-NE 2.78Å; D388-R390 IonicContact OD2-NH2 2.85Å; D388-R390 PolarHBondContact OD2-NH2 2.68Å
391F67.4Low67.1Low120 Ų120108.6 Ų108.653%0.52658%0.58SS.*Hα-helixtrans-79.3-41.5174.3-57.8-60.9000110.6M387 D388 D389 I393 A394 V395M387-F391 HydrophobicContact CE-CB 3.68Å; D388-F391 HydrophobicContact CB-CD2 3.71Å; D388-F391 HydrophobicContact CB-CE2 4.04Å; D388-F391 PolarHBondContact O-N 3.26Å; D389-F391 VanDerWaalsContact C-N 3.3Å; D389-F391 PolarHBondContact O-N 2.83Å; F391-I393 VanDerWaalsContact C-N 3.29Å; F391-I393 PolarHBondContact O-N 3.13Å; F391-A394 PolarHBondContact O-N 3.42Å; F391-A394 VanDerWaalsContact O-N 3.09Å; F391-V395 WeakPolarHBondContact O-CG2 3.43Å; F391-V395 PolarHBondContact O-N 3.06Å
392L68.4Low68.7Low70 Ų70103.9 Ų103.937%0.36656%0.558SS.*Hα-helixtrans-56.2-41.5175.7-93.5153.1000111.8M387 D388 D389 A394 V395 S396M387-L392 HydrophobicContact CB-CD1 3.88Å; M387-L392 HydrophobicContact CB-CG 3.83Å; M387-L392 WeakPolarHBondContact O-CD1 3.48Å; D388-L392 PolarHBondContact O-N 2.99Å; D389-L392 CarbonylContact O-C 3.09Å; D389-L392 PolarHBondContact O-N 2.91Å; L392-A394 PolarHBondContact O-N 3.31Å; L392-V395 PolarHBondContact O-N 3.08Å; L392-S396 WeakPolarHBondContact O-CA 3.16Å; L392-S396 WeakPolarHBondContact O-CB 3.35Å; L392-S396 PolarHBondContact O-N 3.32Å; L392-S396 PolarHBondContact O-OG 2.73Å
393I72.8Confident70.2Confident130 Ų130108.6 Ų108.667%0.66758%0.578SS**Hα-helixtrans-60.6-36.6178.5-70.9159.1000111.2D389 F391D389-I393 WeakPolarHBondContact O-CB 3.42Å; D389-I393 WeakPolarHBondContact O-CD1 3.46Å; D389-I393 WeakPolarHBondContact O-CG1 3.22Å; D389-I393 PolarHBondContact O-N 2.84Å; F391-I393 VanDerWaalsContact C-N 3.29Å; F391-I393 PolarHBondContact O-N 3.13Å
394A70.6Confident72Confident89 Ų89108.5 Ų108.574%0.73658%0.579SS**Hα-helixtrans-75.1-31-179.100000113.3F391 L392F391-A394 PolarHBondContact O-N 3.42Å; F391-A394 VanDerWaalsContact O-N 3.09Å; L392-A394 PolarHBondContact O-N 3.31Å
395V72.8Confident73.5Confident115 Ų115104.5 Ų104.570%0.69756%0.561SS**Hα-helixtrans-95.1-22178-136.60000112.9M387 F391 L392M387-V395 HydrophobicContact CE-CG2 4.5Å; F391-V395 WeakPolarHBondContact O-CG2 3.43Å; F391-V395 PolarHBondContact O-N 3.06Å; L392-V395 PolarHBondContact O-N 3.08Å
396S77.3Confident75.1Confident54 Ų54102 Ų10238%0.37855%0.552SS.*SBendtrans-68.7139.9177.7-66.30000109.5L392 L398L392-S396 WeakPolarHBondContact O-CA 3.16Å; L392-S396 WeakPolarHBondContact O-CB 3.35Å; L392-S396 PolarHBondContact O-N 3.32Å; L392-S396 PolarHBondContact O-OG 2.73Å; S396-L398 PolarHBondContact O-N 3.07Å
397P76.2Confident76.6Confident74 Ų74100.4 Ų100.448%0.48154%0.542SS..PPolyproline II helixtrans-59.5138.8172.825.9-32.8000109.5D399 M402P397-D399 PolarHBondContact O-N 3.27Å; P397-M402 HydrophobicContact CB-CG 3.83Å; P397-M402 HydrophobicContact CB-SD 3.92Å; P397-M402 HydrophobicContact CG-CG 3.58Å; P397-M402 HydrophobicContact CG-SD 3.52Å; P397-M402 VanDerWaalsContact CG-SD 3.52Å
398L80.4Confident77.9Confident120 Ų12099.5 Ų99.563%0.62855%0.545SS*.PPolyproline II helixtrans-53.5135.6175.6-76.5132.8000110.5S396 E400 I401 M402S396-L398 PolarHBondContact O-N 3.07Å; L398-E400 PolarHBondContact O-N 3.22Å; L398-E400 VanDerWaalsContact O-N 3.13Å; L398-I401 HydrophobicContact CB-CB 4.45Å; L398-I401 HydrophobicContact CB-CD1 4.06Å; L398-I401 HydrophobicContact CB-CG1 4.08Å; L398-I401 HydrophobicContact CD1-CD1 3.87Å; L398-I401 WeakPolarHBondContact O-CA 3.48Å; L398-I401 WeakPolarHBondContact O-CB 3.24Å; L398-I401 PolarHBondContact O-N 3.13Å; L398-M402 PolarHBondContact O-N 2.77Å
399D80.8Confident78.9Confident128 Ų12899.9 Ų99.968%0.68455%0.547SS*.Hα-helixtrans-55.3-34.4-178.7-77.5-27.3000112.7P397 M402 K403P397-D399 PolarHBondContact O-N 3.27Å; D399-M402 PolarHBondContact O-N 3.09Å; D399-K403 WeakPolarHBondContact O-CB 3.46Å; D399-K403 WeakPolarHBondContact O-CG 3.38Å; D399-K403 PolarHBondContact O-N 3.28Å
400E84.4Confident79.4Confident154 Ų15498.7 Ų98.772%0.7254%0.54SS*.Hα-helixtrans-63-44174.7-68.9-176.3173.500111.8L398 K403 C404L398-E400 PolarHBondContact O-N 3.22Å; L398-E400 VanDerWaalsContact O-N 3.13Å; E400-K403 PolarHBondContact O-N 3.32Å; E400-C404 WeakPolarHBondContact O-CB 3.27Å; E400-C404 PolarHBondContact O-N 3.22Å; E400-C404 PolarHBondContact O-SG 2.92Å
401I83.9Confident80.1Confident99 Ų9995.7 Ų95.751%0.50854%0.537SS..Hα-helixtrans-66.1-41.8177.1-60.7177000109.9L398 K403 C404 S405L398-I401 HydrophobicContact CB-CB 4.45Å; L398-I401 HydrophobicContact CB-CD1 4.06Å; L398-I401 HydrophobicContact CB-CG1 4.08Å; L398-I401 HydrophobicContact CD1-CD1 3.87Å; L398-I401 WeakPolarHBondContact O-CA 3.48Å; L398-I401 WeakPolarHBondContact O-CB 3.24Å; L398-I401 PolarHBondContact O-N 3.13Å; I401-K403 VanDerWaalsContact C-N 3.35Å; I401-K403 PolarHBondContact O-N 3Å; I401-C404 PolarHBondContact O-N 3.43Å; I401-S405 WeakPolarHBondContact O-CB 3.42Å; I401-S405 PolarHBondContact O-N 3.07Å; I401-S405 PolarHBondContact O-OG 2.94Å
402M83.2Confident80.7Confident82 Ų8294.7 Ų94.740%0.40454%0.537SS..Hα-helixtrans-64.1-38.3176.5-74.8-57.8-60.100112.5P397 L398 D399 S405 G406 L409P397-M402 HydrophobicContact CB-CG 3.83Å; P397-M402 HydrophobicContact CB-SD 3.92Å; P397-M402 HydrophobicContact CG-CG 3.58Å; P397-M402 HydrophobicContact CG-SD 3.52Å; P397-M402 VanDerWaalsContact CG-SD 3.52Å; L398-M402 PolarHBondContact O-N 2.77Å; D399-M402 PolarHBondContact O-N 3.09Å; M402-S405 WeakPolarHBondContact CA-OG 3.39Å; M402-S405 PolarHBondContact O-OG 3.33Å; M402-G406 PolarHBondContact O-N 3.41Å; M402-L409 HydrophobicContact CE-CD1 4.08Å
403K84.7Confident81.2Confident166 Ų16698.3 Ų98.372%0.72255%0.549SS*.Hα-helixtrans-67.1-47174.4-79.5177.2-179.1172.30112.1D399 E400 I401 S405 G406D399-K403 WeakPolarHBondContact O-CB 3.46Å; D399-K403 WeakPolarHBondContact O-CG 3.38Å; D399-K403 PolarHBondContact O-N 3.28Å; E400-K403 PolarHBondContact O-N 3.32Å; I401-K403 VanDerWaalsContact C-N 3.35Å; I401-K403 PolarHBondContact O-N 3Å; K403-S405 VanDerWaalsContact C-N 3.34Å; K403-S405 PolarHBondContact O-N 2.65Å; K403-G406 PolarHBondContact O-N 3.08Å
404C83.9Confident81.5Confident107 Ų10798.6 Ų98.672%0.72355%0.548SS*.Hα-helixtrans-67.5-33.2179.1-68.50000112.7E400 I401E400-C404 WeakPolarHBondContact O-CB 3.27Å; E400-C404 PolarHBondContact O-N 3.22Å; E400-C404 PolarHBondContact O-SG 2.92Å; I401-C404 PolarHBondContact O-N 3.43Å
405S84.5Confident82Confident33 Ų33102.1 Ų102.123%0.23155%0.549CS..Hα-helixtrans-85.4-15.2178.162.20000113.8I401 M402 K403 C408 L409I401-S405 WeakPolarHBondContact O-CB 3.42Å; I401-S405 PolarHBondContact O-N 3.07Å; I401-S405 PolarHBondContact O-OG 2.94Å; M402-S405 WeakPolarHBondContact CA-OG 3.39Å; M402-S405 PolarHBondContact O-OG 3.33Å; K403-S405 VanDerWaalsContact C-N 3.34Å; K403-S405 PolarHBondContact O-N 2.65Å; S405-C408 WeakPolarHBondContact O-CB 3.33Å; S405-C408 PolarHBondContact O-N 3.04Å; S405-L409 PolarHBondContact O-N 3.43Å
406G85.3Confident82Confident20 Ų20103.2 Ų103.221%0.20655%0.545CS..Hα-helixtrans-47.8-49.1178.800000114.7M402 K403 C408 L409 N410M402-G406 PolarHBondContact O-N 3.41Å; K403-G406 PolarHBondContact O-N 3.08Å; G406-C408 PolarHBondContact O-N 3.4Å; G406-L409 PolarHBondContact O-N 2.89Å; G406-N410 PolarHBondContact O-N 3.25Å; G406-N410 PolarHBondContact O-ND2 3.05Å
407P88Confident81.6Confident84 Ų84109.1 Ų109.155%0.54557%0.566SS.*Hα-helixtrans-59.9-43.6176.5-23.333.3000113N410 L411P407-N410 PolarHBondContact O-N 3.48Å; P407-L411 WeakPolarHBondContact O-CG 3.32Å; P407-L411 PolarHBondContact O-N 3.48Å; P407-L411 VanDerWaalsContact O-N 3.15Å
408C85.2Confident80.7Confident88 Ų88111.5 Ų111.560%0.59558%0.579SS**Hα-helixtrans-65.2-41.4176.1-88.50000112.2S405 G406 N410 L411 L412S405-C408 WeakPolarHBondContact O-CB 3.33Å; S405-C408 PolarHBondContact O-N 3.04Å; G406-C408 PolarHBondContact O-N 3.4Å; C408-N410 VanDerWaalsContact C-N 3.31Å; C408-N410 PolarHBondContact O-N 3.36Å; C408-L411 PolarHBondContact O-N 2.94Å; C408-L412 WeakPolarHBondContact O-CB 3.4Å; C408-L412 PolarHBondContact O-N 3.32Å
409L82.3Confident79.9Confident73 Ų73113.5 Ų113.538%0.38259%0.585SS.*Hα-helixtrans-65.4-34.4178.2-75.8170000112.1M402 S405 G406 L412 K413M402-L409 HydrophobicContact CE-CD1 4.08Å; S405-L409 PolarHBondContact O-N 3.43Å; G406-L409 PolarHBondContact O-N 2.89Å; L409-L412 PolarHBondContact O-N 3.4Å; L409-K413 WeakPolarHBondContact O-CG 3.44Å; L409-K413 PolarHBondContact O-N 2.77Å
410N83.9Confident78.5Confident91 Ų91115.7 Ų115.749%0.48759%0.591SS.*Hα-helixtrans-68.9-43.1175.2-72.2-20.8000111.8G406 P407 C408 L412 K413 E414G406-N410 PolarHBondContact O-N 3.25Å; G406-N410 PolarHBondContact O-ND2 3.05Å; P407-N410 PolarHBondContact O-N 3.48Å; C408-N410 VanDerWaalsContact C-N 3.31Å; C408-N410 PolarHBondContact O-N 3.36Å; N410-L412 PolarHBondContact O-N 3.13Å; N410-K413 PolarHBondContact O-N 2.75Å; N410-E414 WeakPolarHBondContact O-CG 3.42Å; N410-E414 PolarHBondContact O-N 2.97Å
411L86.4Confident77.1Confident112 Ų112113.9 Ų113.959%0.58659%0.585SS**Hα-helixtrans-58.6-38.4172.4-72.2168.7000111.8P407 C408 E414 Q415P407-L411 WeakPolarHBondContact O-CG 3.32Å; P407-L411 PolarHBondContact O-N 3.48Å; P407-L411 VanDerWaalsContact O-N 3.15Å; C408-L411 PolarHBondContact O-N 2.94Å; L411-E414 PolarHBondContact O-N 3.29Å; L411-Q415 WeakPolarHBondContact O-CG 3.47Å; L411-Q415 PolarHBondContact O-N 2.75Å; L411-Q415 VanDerWaalsContact O-N 3.12Å
412L80.5Confident75.5Confident100 Ų100111.4 Ų111.452%0.52458%0.584SS.*Hα-helixtrans-69.7-41.4177.5-143.3147000111.2C408 L409 N410 E414 Q415 F416C408-L412 WeakPolarHBondContact O-CB 3.4Å; C408-L412 PolarHBondContact O-N 3.32Å; L409-L412 PolarHBondContact O-N 3.4Å; N410-L412 PolarHBondContact O-N 3.13Å; L412-E414 VanDerWaalsContact C-N 3.34Å; L412-E414 PolarHBondContact O-N 2.8Å; L412-Q415 PolarHBondContact O-N 2.94Å; L412-F416 HydrophobicContact CD2-CD2 3.58Å; L412-F416 HydrophobicContact CD2-CE2 3.72Å; L412-F416 HydrophobicContact CG-CD2 4.34Å; L412-F416 HydrophobicContact CG-CE2 4.39Å; L412-F416 WeakPolarHBondContact O-CD2 3.34Å; L412-F416 PolarHBondContact O-N 2.72Å
413K77.8Confident73.8Confident145 Ų145118.6 Ų118.663%0.6361%0.607SS**Hα-helixtrans-64.1-34.9173.2-78.9178.8179.5177.20113.1L409 N410 F416L409-K413 WeakPolarHBondContact O-CG 3.44Å; L409-K413 PolarHBondContact O-N 2.77Å; N410-K413 PolarHBondContact O-N 2.75Å; K413-F416 CarbonylContact O-C 3.54Å
414E79.5Confident71.9Confident136 Ų136118.7 Ų118.764%0.63661%0.607SS**Hα-helixtrans-68.5-39.3176-77.5178.9172.900111.7N410 L411 L412 H417N410-E414 WeakPolarHBondContact O-CG 3.42Å; N410-E414 PolarHBondContact O-N 2.97Å; L411-E414 PolarHBondContact O-N 3.29Å; L412-E414 VanDerWaalsContact C-N 3.34Å; L412-E414 PolarHBondContact O-N 2.8Å; E414-H417 PolarHBondContact O-ND1 2.93Å
415Q80.8Confident70.1Confident163 Ų163122.5 Ų122.576%0.76261%0.612SS**Hα-helixtrans-71.3-35.4176.2-77-67.5-18.500113.1L411 L412 H417L411-Q415 WeakPolarHBondContact O-CG 3.47Å; L411-Q415 PolarHBondContact O-N 2.75Å; L411-Q415 VanDerWaalsContact O-N 3.12Å; L412-Q415 PolarHBondContact O-N 2.94Å; Q415-H417 PolarHBondContact O-N 3.26Å
416F72.3Confident68.3Low139 Ų139124.7 Ų124.761%0.6163%0.627SS**SBendtrans-96.383.2174.7-73.9-90.3000110L412 K413 V418L412-F416 HydrophobicContact CD2-CD2 3.58Å; L412-F416 HydrophobicContact CD2-CE2 3.72Å; L412-F416 HydrophobicContact CG-CD2 4.34Å; L412-F416 HydrophobicContact CG-CE2 4.39Å; L412-F416 WeakPolarHBondContact O-CD2 3.34Å; L412-F416 PolarHBondContact O-N 2.72Å; K413-F416 CarbonylContact O-C 3.54Å; F416-V418 WeakPolarHBondContact O-CG2 3.13Å; F416-V418 PolarHBondContact O-N 2.89Å
417H69.2Low66.5Low178 Ų178132 Ų13282%0.82465%0.653SS**  trans-54.799.9171.8-77.6-27.8000111.2E414 Q415 E419E414-H417 PolarHBondContact O-ND1 2.93Å; Q415-H417 PolarHBondContact O-N 3.26Å; H417-E419 PolarHBondContact O-N 3.03Å
418V58.1Low64.3Low124 Ų124137.3 Ų137.375%0.75266%0.662SS**  trans-85.895.9175-175.20000108.2F416 H420F416-V418 WeakPolarHBondContact O-CG2 3.13Å; F416-V418 PolarHBondContact O-N 2.89Å; V418-H420 PolarHBondContact O-N 3Å
419E62.9Low62.5Low162 Ų162136.1 Ų136.176%0.75766%0.658SS**  trans-69.2115.1159.7-89.6-169.515600108.4H417 L421H417-E419 PolarHBondContact O-N 3.03Å; E419-L421 PolarHBondContact O-N 2.86Å
420H52.9Low60.7Low173 Ų173135.1 Ų135.180%0.80166%0.66SS**  trans-70.481.1167.7-162.7-69.5000107.8V418 G422V418-H420 PolarHBondContact O-N 3Å; H420-G422 PolarHBondContact O-N 3.27Å
421L53.8Low59Low116 Ų116133.5 Ų133.561%0.60766%0.66SS**  trans-61.585.6165.6-82.9157.7000106.5E419 R423E419-L421 PolarHBondContact O-N 2.86Å; L421-R423 PolarHBondContact O-N 3.31Å; L421-R423 VanDerWaalsContact O-N 3.09Å
422G50.5Low57.3Low47 Ų47135.4 Ų135.449%0.48566%0.663SS.*  trans-46.3124.5170.100000106.5H420 K424H420-G422 PolarHBondContact O-N 3.27Å; G422-K424 PolarHBondContact O-N 3.35Å
423R47.4Very low55.8Low233 Ų233135.2 Ų135.288%0.87967%0.667SS**  trans-34103.8-170-75.6179.8172.5177.2-2.9109.4L421 K425L421-R423 PolarHBondContact O-N 3.31Å; L421-R423 VanDerWaalsContact O-N 3.09Å; R423-K425 PolarHBondContact O-N 2.79Å
424K44.2Very low54.4Low169 Ų169135.6 Ų135.674%0.73567%0.668SS**  trans-61.697.9172.9-87.8-174.1176.9175.10105.3G422 S426G422-K424 PolarHBondContact O-N 3.35Å; K424-S426 PolarHBondContact O-N 3.24Å
425K47.3Very low53Low187 Ų187138.7 Ų138.781%0.81368%0.68SS**  trans-73.951.8164-69.8-174.5-179175.50107.9R423 K427R423-K425 PolarHBondContact O-N 2.79Å; K425-K427 PolarHBondContact O-N 3.09Å
426S45.2Very low51.3Low78 Ų78133.7 Ų133.755%0.54567%0.667SS.*  trans-76.480.3160.866.30000105.7K424 R428K424-S426 PolarHBondContact O-N 3.24Å; S426-R428 PolarHBondContact O-N 3.21Å
427K47.7Very low49.9Very low173 Ų173135.4 Ų135.475%0.75268%0.676SS**  trans-67.578.4158.1-71-171.8178.8-176.30105.5K425 A429K425-K427 PolarHBondContact O-N 3.09Å; K427-A429 PolarHBondContact O-N 3.35Å
428R43.7Very low49Very low197 Ų197136.3 Ų136.374%0.74368%0.681SS**  trans-62.6111.3165.3-76.7-175.7174.4-179.4-2.2105S426 A430 V433S426-R428 PolarHBondContact O-N 3.21Å; R428-A430 PolarHBondContact O-N 2.62Å; R428-V433 HydrophobicContact CB-CG2 4.43Å
429A47.2Very low48.4Very low62 Ų62138 Ų13851%0.51269%0.685SS.*  trans-53.7134.1173.600000108K427 A431 K432K427-A429 PolarHBondContact O-N 3.35Å; A429-A431 PolarHBondContact O-N 3.25Å; A429-K432 PolarHBondContact O-N 3.31Å
430A44.4Very low47.4Very low52 Ų52135.5 Ų135.543%0.4368%0.681SS.*Hα-helixtrans-54.6-27.9179.400000111.6R428 K432 V433 F434R428-A430 PolarHBondContact O-N 2.62Å; A430-K432 PolarHBondContact O-N 2.82Å; A430-V433 CarbonylContact O-C 3.4Å; A430-V433 WeakPolarHBondContact O-CA 3.43Å; A430-V433 PolarHBondContact O-N 2.7Å; A430-F434 HydrophobicContact CB-CD2 4.13Å; A430-F434 HydrophobicContact CB-CE2 4.44Å; A430-F434 WeakPolarHBondContact O-CD2 3.4Å; A430-F434 PolarHBondContact O-N 3.45Å
431A48.1Very low47Very low58 Ų58131.8 Ų131.848%0.47967%0.671SS.*Hα-helixtrans-61.3-20.5173.400000115.3A429 F434A429-A431 PolarHBondContact O-N 3.25Å; A431-F434 CarbonylContact C-O 3.28Å; A431-F434 VanDerWaalsContact C-O 3.28Å
432K49.3Very low46.6Very low151 Ų151130.1 Ų130.166%0.65767%0.666SS**Hα-helixtrans-87.5-22.9168.9-88.9-177.6179.3174.20112.1D229 A429 A430D229-K432 IonicContact OD2-NZ 3.85Å; D229-K432 PolarHBondContact OD2-NZ 2.63Å; A429-K432 PolarHBondContact O-N 3.31Å; A430-K432 PolarHBondContact O-N 2.82Å
433V49.8Very low46.5Very low97 Ų97133.7 Ų133.759%0.58867%0.673SS**Hα-helixtrans-85.9-48-179.6178.70000110.6R428 A430R428-V433 HydrophobicContact CB-CG2 4.43Å; A430-V433 CarbonylContact O-C 3.4Å; A430-V433 WeakPolarHBondContact O-CA 3.43Å; A430-V433 PolarHBondContact O-N 2.7Å
434F48.3Very low46.4Very low152 Ų152127 Ų12767%0.66765%0.651SS**THydrogen-bonded Turntrans-90.3107165.6-57.6-77.2000105.5A430 A431 A436A430-F434 HydrophobicContact CB-CD2 4.13Å; A430-F434 HydrophobicContact CB-CE2 4.44Å; A430-F434 WeakPolarHBondContact O-CD2 3.4Å; A430-F434 PolarHBondContact O-N 3.45Å; A431-F434 CarbonylContact C-O 3.28Å; A431-F434 VanDerWaalsContact C-O 3.28Å; F434-A436 VanDerWaalsContact C-N 3.31Å; F434-A436 PolarHBondContact O-N 3.49Å
435K50.7Low46.5Very low201 Ų201124.1 Ų124.187%0.87464%0.641SS**THydrogen-bonded Turntrans-52.1101.5169.8-70.8179.9177.1-178.40106.9E437K435-E437 PolarHBondContact O-N 2.95Å
436A45.4Very low46.5Very low59 Ų59119.6 Ų119.649%0.48862%0.624SS.*  trans-61.4128.1178.300000107.3F434 E438F434-A436 VanDerWaalsContact C-N 3.31Å; F434-A436 PolarHBondContact O-N 3.49Å; A436-E438 PolarHBondContact O-N 3.35Å
437E42.9Very low46.7Very low174 Ų174118.5 Ų118.581%0.81362%0.62SS**  trans-52.8138.7170.3-65.2178.3165.400108.6K435 N439K435-E437 PolarHBondContact O-N 2.95Å; E437-N439 PolarHBondContact O-N 3.48Å
438E48.4Very low46.7Very low198 Ų198116.6 Ų116.693%0.92561%0.614SS**THydrogen-bonded Turntrans-60.55.3-163.8-71.1179.7151.700116.2A436A436-E438 PolarHBondContact O-N 3.35Å
439N45.8Very low46.9Very low158 Ų158114.6 Ų114.685%0.84561%0.613SS**THydrogen-bonded Turntrans-109.213.5-173.8-70.1-16.4000115.2E437 T441E437-N439 PolarHBondContact O-N 3.48Å; N439-T441 PolarHBondContact O-N 3.43Å
440V43.2Very low47Very low111 Ų111117.5 Ų117.567%0.67362%0.616SS**  trans-86.3106.6170.9-174.40000109.2T442V440-T442 PolarHBondContact O-N 3.4Å; V440-T442 VanDerWaalsContact O-N 3.12Å
441T42.9Very low47.1Very low95 Ų95122.5 Ų122.558%0.58363%0.628SS**  trans-50.7117.2169.7370000110N439N439-T441 PolarHBondContact O-N 3.43Å
442T46.5Very low47.1Very low80 Ų80122.1 Ų122.149%0.49163%0.63SS.*  trans-64.2144-179.31.30000110.2V440 Q444 Q445V440-T442 PolarHBondContact O-N 3.4Å; V440-T442 VanDerWaalsContact O-N 3.12Å; T442-Q444 PolarHBondContact O-N 2.86Å; T442-Q445 PolarHBondContact O-N 2.97Å
443L47.8Very low47.4Very low122 Ų122118.2 Ų118.264%0.63963%0.633SS**Hα-helixtrans-47.9-22.5173.4-79.7157.1000113.6A447L443-A447 PolarHBondContact O-N 2.82Å
444Q45.9Very low47.9Very low92 Ų92115.2 Ų115.243%0.4362%0.621SS.*Hα-helixtrans-63.8-41.4175.9-71.8176.4-33.700114.9D226 T442 I446 A447 Q448D226-Q444 PolarHBondContact OD2-NE2 3.21Å; T442-Q444 PolarHBondContact O-N 2.86Å; Q444-I446 VanDerWaalsContact C-N 3.28Å; Q444-I446 PolarHBondContact O-N 2.97Å; Q444-A447 PolarHBondContact O-N 3.16Å; Q444-Q448 PolarHBondContact O-N 3.32Å
445Q46.6Very low48.5Very low110 Ų110108.7 Ų108.751%0.51459%0.594SS.*Hα-helixtrans-65-39.1179.3-80.5178.3-20.600110.2T442 Q448 E449T442-Q445 PolarHBondContact O-N 2.97Å; Q445-Q448 PolarHBondContact O-N 3.31Å; Q445-E449 PolarHBondContact O-N 3.38Å
446I47.1Very low49.5Very low91 Ų91102.6 Ų102.647%0.46758%0.581SS.*Hα-helixtrans-65.9-40.2175.7-55.5170.6000110.8Q444 H450Q444-I446 VanDerWaalsContact C-N 3.28Å; Q444-I446 PolarHBondContact O-N 2.97Å; I446-H450 PolarHBondContact O-CD2 2.86Å
447A49.9Very low51.2Low55 Ų55106.6 Ų106.646%0.45559%0.588SS.*Hα-helixtrans-69.8-32.8179.300000113.4L443 Q444 E449 H450L443-A447 PolarHBondContact O-N 2.82Å; Q444-A447 PolarHBondContact O-N 3.16Å; A447-E449 VanDerWaalsContact C-N 3.33Å; A447-E449 PolarHBondContact O-N 3.44Å; A447-H450 PolarHBondContact O-N 3.45Å
448Q47.6Very low53.1Low133 Ų13398.6 Ų98.662%0.62155%0.551SS**Hα-helixtrans-68.6-30.2178.2-95.7-178.5-10.700113.3Q444 Q445 H450Q444-Q448 PolarHBondContact O-N 3.32Å; Q445-Q448 PolarHBondContact O-N 3.31Å; Q448-H450 PolarHBondContact O-N 2.89Å
449E47.8Very low54.6Low155 Ų15590.4 Ų90.472%0.72452%0.519SS*.Hα-helixtrans-70.4-19.5178.1-70.3-177.3172.300113.1Q445 A447Q445-E449 PolarHBondContact O-N 3.38Å; A447-E449 VanDerWaalsContact C-N 3.33Å; A447-E449 PolarHBondContact O-N 3.44Å
450H48.2Very low56.3Low123 Ų12386.5 Ų86.557%0.56950%0.501SS*.THydrogen-bonded Turntrans-105.932-177-71.1-69.2000114.1I446 A447 Q448 G452I446-H450 PolarHBondContact O-CD2 2.86Å; A447-H450 PolarHBondContact O-N 3.45Å; Q448-H450 PolarHBondContact O-N 2.89Å; H450-G452 PolarHBondContact O-N 2.92Å
451K46.2Very low58Low157 Ų15783.4 Ų83.468%0.68348%0.482SS*.  trans-77.8105.4172.9-75.9-175.1173.5-175.60111.6
452G50Low60Low51 Ų5181.1 Ų81.153%0.52647%0.466SS..SBendtrans110.7132.9159.900000116.6H450 G454H450-G452 PolarHBondContact O-N 2.92Å; G452-G454 PolarHBondContact O-N 2.61Å
453G54.9Low61.9Low69 Ų6977.3 Ų77.371%0.71144%0.443SS*.SBendtrans64.429.8144.400000119.9L473G453-L473 VanDerWaalsContact O-CD1 3.24Å; G453-L473 WeakPolarHBondContact O-CD1 3.46Å
454G59.6Low63.9Low33 Ų3372.1 Ų72.134%0.3442%0.417SS..SBendtrans96.4171.5-17900000113.1G452 A456G452-G454 PolarHBondContact O-N 2.61Å; G454-A456 PolarHBondContact O-N 3Å
455P62.4Low65.8Low16 Ų1669.7 Ų69.710%0.10441%0.407CS..  trans-68.2122.2-172.419.5-24000111.4K457 D466 E469P455-K457 VanDerWaalsContact C-N 3.29Å; P455-D466 HydrophobicContact CB-CB 4.01Å; P455-D466 HydrophobicContact CG-CB 3.71Å; P455-E469 WeakPolarHBondContact CD-OE2 3.46Å; P455-E469 HydrophobicContact CG-CB 4.22Å
456A70.3Confident67.7Low73 Ų7365.8 Ų65.860%0.60339%0.389SS*.SBendtrans-72.9-24.2173.700000112.7G454G454-A456 PolarHBondContact O-N 3Å
457K80.6Confident69.7Low143 Ų14361.5 Ų61.562%0.62237%0.367SS*.SBendtrans-142.8146.1178.9-173.8-178.8179.3-178.10108.8P455 G459P455-K457 VanDerWaalsContact C-N 3.29Å; K457-G459 PolarHBondContact O-N 3.35Å
458V82.8Confident71.5Confident6 Ų662 Ų624%0.03636%0.36CS..  trans-61.3119172.2-173.40000110P463 D466 M470 Q483 F484 V487V458-P463 HydrophobicContact CG1-CB 3.62Å; V458-D466 HydrophobicContact CG1-CB 4.39Å; V458-M470 HydrophobicContact CB-CE 4.48Å; V458-M470 HydrophobicContact CG2-CE 3.17Å; V458-M470 HydrophobicContact CG2-SD 4.38Å; V458-Q483 HydrophobicContact CB-CB 4.37Å; V458-Q483 HydrophobicContact CG2-CB 3.83Å; V458-F484 HydrophobicContact CG1-CD2 4.02Å; V458-F484 HydrophobicContact CG2-CB 4.27Å; V458-V487 HydrophobicContact CB-CG2 4.09Å; V458-V487 HydrophobicContact CG1-CB 4.33Å; V458-V487 HydrophobicContact CG1-CG2 3.82Å
459G81.8Confident73.2Confident26 Ų2656.8 Ų56.827%0.26834%0.336SS..  trans-84.9169.117400000112.9K457 P463 D466K457-G459 PolarHBondContact O-N 3.35Å; G459-P463 VanDerWaalsContact O-CB 3.31Å; G459-P463 WeakPolarHBondContact O-CB 3.48Å; G459-D466 WeakPolarHBondContact CA-OD2 3.19Å; G459-D466 PolarHBondContact N-OD2 2.85Å
460T81.3Confident75.1Confident76 Ų7649.7 Ų49.747%0.46630%0.303SS..SBendtrans-87.4-11.5177.853.60000113.4V487 K503T460-V487 HydrophobicContact CG2-CG1 4.31Å; T460-K503 PolarHBondContact O-NZ 2.78Å
461V77.6Confident76.9Confident45 Ų4546.3 Ų46.327%0.27329%0.288SS..SBendtrans-76.9-60.8-174.7-177.40000110.9V250 P261 S263 K503V250-V461 HydrophobicContact CG1-CG1 4.07Å; V250-V461 HydrophobicContact CG2-CG1 4.47Å; P261-V461 HydrophobicContact CB-CG1 3.7Å; P261-V461 HydrophobicContact CB-CG2 4.3Å; P261-V461 HydrophobicContact CG-CB 4.34Å; P261-V461 HydrophobicContact CG-CG1 3.84Å; P261-V461 HydrophobicContact CG-CG2 3.5Å; S263-V461 WeakPolarHBondContact CB-O 3.43Å; V461-K503 WeakPolarHBondContact O-CE 3.45Å; V461-K503 PolarHBondContact O-NZ 2.82Å
462D84.8Confident78.8Confident47 Ų4746.4 Ų46.425%0.25129%0.288SS..SBendtrans-132.572.6174-163.3-16.7000110.5V464 N465 D466D462-V464 PolarHBondContact O-N 3.17Å; D462-V464 VanDerWaalsContact O-N 3.14Å; D462-N465 HydrophobicContact CB-CB 4.31Å; D462-N465 PolarHBondContact O-N 3.07Å; D462-N465 PolarHBondContact OD1-N 2.75Å; D462-D466 PolarHBondContact O-N 3.45Å; D462-D466 VanDerWaalsContact O-N 3.13Å
463P87.2Confident80.4Confident1 Ų148.4 Ų48.41%0.00629%0.287CS..Hα-helixtrans-63.9-23.8-173.529.1-38.8000112.6V458 G459 F467 F484 V487 C507V458-P463 HydrophobicContact CG1-CB 3.62Å; G459-P463 VanDerWaalsContact O-CB 3.31Å; G459-P463 WeakPolarHBondContact O-CB 3.48Å; P463-F467 VanDerWaalsContact O-CB 3.26Å; P463-F467 WeakPolarHBondContact O-CB 3.46Å; P463-F467 PolarHBondContact O-N 2.86Å; P463-F484 HydrophobicContact CB-CD2 4.06Å; P463-F484 HydrophobicContact CB-CE2 3.76Å; P463-F484 HydrophobicContact CG-CE2 4.34Å; P463-F484 WeakPolarHBondContact O-CE2 3.49Å; P463-V487 HydrophobicContact CB-CG1 3.96Å; P463-V487 HydrophobicContact CG-CG1 4.38Å; P463-C507 WeakPolarHBondContact CG-SG 3.33Å
464V88.6Confident81.6Confident13 Ų1348.1 Ų48.18%0.07928%0.284CS..Hα-helixtrans-70.3-47.1177.3173.90000110.8D462 D466 Q468 F484 C507 M510D462-V464 PolarHBondContact O-N 3.17Å; D462-V464 VanDerWaalsContact O-N 3.14Å; V464-D466 VanDerWaalsContact C-N 3.33Å; V464-Q468 WeakPolarHBondContact O-CG 3.36Å; V464-Q468 PolarHBondContact O-N 3.25Å; V464-F484 HydrophobicContact CG2-CZ 4.19Å; V464-C507 HydrophobicContact CG2-CB 4.48Å; V464-M510 HydrophobicContact CG1-CB 4.35Å; V464-M510 HydrophobicContact CG1-CE 4.42Å; V464-M510 HydrophobicContact CG1-CG 3.75Å; V464-M510 HydrophobicContact CG1-SD 4.49Å; V464-M510 HydrophobicContact CG2-CB 4.42Å; V464-M510 HydrophobicContact CG2-CG 4.16Å
465N86.9Confident82.7Confident41 Ų4153.7 Ų53.722%0.21930%0.295CS..Hα-helixtrans-63.2-44.3176.9-168.864.6000110.5D462 F467 Q468 E469D462-N465 HydrophobicContact CB-CB 4.31Å; D462-N465 PolarHBondContact O-N 3.07Å; D462-N465 PolarHBondContact OD1-N 2.75Å; N465-F467 PolarHBondContact O-N 3.32Å; N465-Q468 PolarHBondContact O-N 2.97Å; N465-E469 PolarHBondContact ND2-OE1 3.02Å; N465-E469 VanDerWaalsContact ND2-OE1 3.09Å; N465-E469 WeakPolarHBondContact O-CG 3.5Å; N465-E469 PolarHBondContact O-N 2.96Å
466D86.4Confident83.9Confident28 Ų2857.5 Ų57.515%0.1532%0.315CS..Hα-helixtrans-60.1-46.1-179.5-63.6-13.9000112.2P455 V458 G459 D462 V464 E469 M470P455-D466 HydrophobicContact CB-CB 4.01Å; P455-D466 HydrophobicContact CG-CB 3.71Å; V458-D466 HydrophobicContact CG1-CB 4.39Å; G459-D466 WeakPolarHBondContact CA-OD2 3.19Å; G459-D466 PolarHBondContact N-OD2 2.85Å; D462-D466 PolarHBondContact O-N 3.45Å; D462-D466 VanDerWaalsContact O-N 3.13Å; V464-D466 VanDerWaalsContact C-N 3.33Å; D466-E469 PolarHBondContact O-N 3.24Å; D466-M470 WeakPolarHBondContact O-CG 3.05Å; D466-M470 PolarHBondContact O-N 3.36Å
467F89.5Confident84.7Confident0 Ų055.3 Ų55.30%029%0.291CS..Hα-helixtrans-62.1-44.3176.9179.3-113000112.3P463 N465 E469 M470 I471 F477 A480 F484 L511P463-F467 VanDerWaalsContact O-CB 3.26Å; P463-F467 WeakPolarHBondContact O-CB 3.46Å; P463-F467 PolarHBondContact O-N 2.86Å; N465-F467 PolarHBondContact O-N 3.32Å; F467-E469 VanDerWaalsContact C-N 3.32Å; F467-E469 PolarHBondContact O-N 3.33Å; F467-M470 HydrophobicContact CD2-CE 4.28Å; F467-M470 PolarHBondContact O-N 3.04Å; F467-I471 HydrophobicContact CD1-CD1 3.97Å; F467-I471 HydrophobicContact CE1-CD1 3.53Å; F467-I471 HydrophobicContact CE2-CD1 4.09Å; F467-I471 HydrophobicContact CG-CD1 4.45Å; F467-I471 HydrophobicContact CZ-CD1 3.61Å; F467-I471 HydrophobicContact CZ-CG1 4.47Å; F467-I471 WeakPolarHBondContact O-CG1 3.37Å; F467-I471 PolarHBondContact O-N 3.41Å; F467-F477 AromaticContact CZ-CE2 3.89Å; F467-F477 HydrophobicContact CZ-CE2 3.89Å; F467-F477 HydrophobicContact CZ-CZ 4.44Å; F467-A480 HydrophobicContact CD2-CB 4.15Å; F467-A480 HydrophobicContact CE2-CB 4.05Å; F467-F484 HydrophobicContact CB-CD1 4.17Å; F467-F484 HydrophobicContact CB-CD2 4.11Å; F467-F484 HydrophobicContact CB-CE1 4.35Å; F467-F484 HydrophobicContact CB-CE2 4.29Å; F467-F484 HydrophobicContact CB-CG 4.06Å; F467-F484 HydrophobicContact CB-CZ 4.4Å; F467-F484 AromaticContact CD1-CD1 3.74Å; F467-F484 HydrophobicContact CD1-CD1 3.74Å; F467-F484 AromaticContact CD1-CE1 3.74Å; F467-F484 HydrophobicContact CD1-CE1 3.74Å; F467-F484 HydrophobicContact CD1-CG 4.44Å; F467-F484 HydrophobicContact CD1-CZ 4.43Å; F467-F484 HydrophobicContact CD2-CB 3.8Å; F467-F484 AromaticContact CD2-CD1 3.89Å; F467-F484 HydrophobicContact CD2-CD1 3.89Å; F467-F484 AromaticContact CD2-CG 3.97Å; F467-F484 HydrophobicContact CD2-CG 3.97Å; F467-F484 AromaticContact CE1-CD1 4Å; F467-F484 HydrophobicContact CE1-CD1 4Å; F467-F484 HydrophobicContact CE1-CE1 4.14Å; F467-F484 HydrophobicContact CE2-CB 4.26Å; F467-F484 HydrophobicContact CE2-CD1 4.17Å; F467-F484 HydrophobicContact CG-CB 4.25Å; F467-F484 AromaticContact CG-CD1 3.66Å; F467-F484 HydrophobicContact CG-CD1 3.66Å; F467-F484 HydrophobicContact CG-CD2 4.45Å; F467-F484 HydrophobicContact CG-CE1 4.01Å; F467-F484 AromaticContact CG-CG 3.91Å; F467-F484 HydrophobicContact CG-CG 3.91Å; F467-F484 HydrophobicContact CZ-CD1 4.2Å; F467-L511 HydrophobicContact CZ-CD1 4.19Å
468Q87.8Confident85Confident66 Ų6651.7 Ų51.731%0.30828%0.281SS..Hα-helixtrans-63.2-38.2177.1-75.5-176-1300112.6V464 N465 I471 K472 M510V464-Q468 WeakPolarHBondContact O-CG 3.36Å; V464-Q468 PolarHBondContact O-N 3.25Å; N465-Q468 PolarHBondContact O-N 2.97Å; Q468-I471 PolarHBondContact O-N 3.21Å; Q468-K472 VanDerWaalsContact O-CG 3.3Å; Q468-K472 WeakPolarHBondContact O-CG 3.38Å; Q468-K472 PolarHBondContact O-N 3.22Å; Q468-M510 HydrophobicContact CG-CE 4.39Å
469E83.6Confident85.2Confident24 Ų2456.7 Ų56.711%0.11230%0.304CS..Hα-helixtrans-69-41.7178.4-76.7-170-175.600112.4P455 N465 D466 F467 I471 K472 L473P455-E469 WeakPolarHBondContact CD-OE2 3.46Å; P455-E469 HydrophobicContact CG-CB 4.22Å; N465-E469 PolarHBondContact ND2-OE1 3.02Å; N465-E469 VanDerWaalsContact ND2-OE1 3.09Å; N465-E469 WeakPolarHBondContact O-CG 3.5Å; N465-E469 PolarHBondContact O-N 2.96Å; D466-E469 PolarHBondContact O-N 3.24Å; F467-E469 VanDerWaalsContact C-N 3.32Å; F467-E469 PolarHBondContact O-N 3.33Å; E469-I471 VanDerWaalsContact C-N 3.27Å; E469-I471 PolarHBondContact O-N 2.9Å; E469-K472 PolarHBondContact O-N 3.42Å; E469-K472 VanDerWaalsContact O-N 3.12Å; E469-L473 WeakPolarHBondContact O-CB 3.42Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 3.1Å
470M85.8Confident85.6Confident6 Ų655.6 Ų55.63%0.0329%0.292CS..Hα-helixtrans-58.5-40.4174.6-73.5-168.8-62.300112.2V458 D466 F467 L473 G474 R475 A480V458-M470 HydrophobicContact CB-CE 4.48Å; V458-M470 HydrophobicContact CG2-CE 3.17Å; V458-M470 HydrophobicContact CG2-SD 4.38Å; D466-M470 WeakPolarHBondContact O-CG 3.05Å; D466-M470 PolarHBondContact O-N 3.36Å; F467-M470 HydrophobicContact CD2-CE 4.28Å; F467-M470 PolarHBondContact O-N 3.04Å; M470-L473 PolarHBondContact O-N 3.45Å; M470-G474 PolarHBondContact O-N 3.13Å; M470-R475 HydrophobicContact CB-CB 4.13Å; M470-R475 HydrophobicContact CB-CG 4.13Å; M470-R475 HydrophobicContact CG-CG 4.39Å; M470-R475 VanDerWaalsContact O-CB 3.29Å; M470-R475 WeakPolarHBondContact O-CB 3.48Å; M470-R475 WeakPolarHBondContact O-CG 3.34Å; M470-R475 PolarHBondContact O-N 3.09Å; M470-A480 HydrophobicContact CB-CB 4.28Å; M470-A480 HydrophobicContact CE-CB 3.61Å; M470-A480 HydrophobicContact SD-CB 4.16Å
471I86.4Confident86Confident51 Ų5152 Ų5226%0.26227%0.27SS..Hα-helixtrans-63.7-46.1175.1-64.3170.3000110.5F467 Q468 E469 L473 G474 F477F467-I471 HydrophobicContact CD1-CD1 3.97Å; F467-I471 HydrophobicContact CE1-CD1 3.53Å; F467-I471 HydrophobicContact CE2-CD1 4.09Å; F467-I471 HydrophobicContact CG-CD1 4.45Å; F467-I471 HydrophobicContact CZ-CD1 3.61Å; F467-I471 HydrophobicContact CZ-CG1 4.47Å; F467-I471 WeakPolarHBondContact O-CG1 3.37Å; F467-I471 PolarHBondContact O-N 3.41Å; Q468-I471 PolarHBondContact O-N 3.21Å; E469-I471 VanDerWaalsContact C-N 3.27Å; E469-I471 PolarHBondContact O-N 2.9Å; I471-L473 VanDerWaalsContact C-N 3.3Å; I471-L473 PolarHBondContact O-N 3.28Å; I471-G474 PolarHBondContact O-N 2.91Å; I471-F477 HydrophobicContact CD1-CD2 4.04Å; I471-F477 HydrophobicContact CD1-CE2 3.93Å; I471-F477 HydrophobicContact CG1-CD2 4.1Å; I471-F477 HydrophobicContact CG1-CE2 4.49Å
472K85.8Confident86.7Confident159 Ų15954.5 Ų54.569%0.69128%0.279SS*.Hα-helixtrans-62.5-35.6178.4-72.2169.5-173167.30112.9Q468 E469 G474Q468-K472 VanDerWaalsContact O-CG 3.3Å; Q468-K472 WeakPolarHBondContact O-CG 3.38Å; Q468-K472 PolarHBondContact O-N 3.22Å; E469-K472 PolarHBondContact O-N 3.42Å; E469-K472 VanDerWaalsContact O-N 3.12Å; K472-G474 PolarHBondContact O-N 2.99Å
473L83.8Confident87Confident93 Ų9354.3 Ų54.349%0.48728%0.277SS..THydrogen-bonded Turntrans-75.4-1.9176.4-69.5171.6000113G453 E469 M470 I471 R475G453-L473 VanDerWaalsContact O-CD1 3.24Å; G453-L473 WeakPolarHBondContact O-CD1 3.46Å; E469-L473 WeakPolarHBondContact O-CB 3.42Å; E469-L473 WeakPolarHBondContact O-CG 3.38Å; E469-L473 PolarHBondContact O-N 3.1Å; M470-L473 PolarHBondContact O-N 3.45Å; I471-L473 VanDerWaalsContact C-N 3.3Å; I471-L473 PolarHBondContact O-N 3.28Å; L473-R475 VanDerWaalsContact C-N 3.33Å; L473-R475 HydrophobicContact CB-CG 4.34Å
474G81.1Confident87.3Confident64 Ų6454.3 Ų54.366%0.6628%0.276SS*.THydrogen-bonded Turntrans71.526-18000000113.5M470 I471 K472M470-G474 PolarHBondContact O-N 3.13Å; I471-G474 PolarHBondContact O-N 2.91Å; K472-G474 PolarHBondContact O-N 2.99Å
475R82.4Confident87.5Confident149 Ų14954.3 Ų54.356%0.56228%0.277SS*.  trans-66.5160.8171.2-59.7-68.1-171.3177.90.8109.9M470 L473 F477M470-R475 HydrophobicContact CB-CB 4.13Å; M470-R475 HydrophobicContact CB-CG 4.13Å; M470-R475 HydrophobicContact CG-CG 4.39Å; M470-R475 VanDerWaalsContact O-CB 3.29Å; M470-R475 WeakPolarHBondContact O-CB 3.48Å; M470-R475 WeakPolarHBondContact O-CG 3.34Å; M470-R475 PolarHBondContact O-N 3.09Å; L473-R475 VanDerWaalsContact C-N 3.33Å; L473-R475 HydrophobicContact CB-CG 4.34Å; R475-F477 PolarHBondContact O-N 3.28Å; R475-F477 VanDerWaalsContact O-N 3.08Å
476N87Confident87.7Confident97 Ų9757 Ų5752%0.51929%0.288SS..  trans-62.1115.7179.8-173-28.5000110.4V478 E479 A480N476-V478 VanDerWaalsContact C-N 3.25Å; N476-V478 PolarHBondContact O-N 2.86Å; N476-V478 PolarHBondContact OD1-N 3.4Å; N476-E479 HydrophobicContact CB-CB 4.13Å; N476-E479 PolarHBondContact O-N 2.88Å; N476-A480 WeakPolarHBondContact O-CB 3.28Å; N476-A480 PolarHBondContact O-N 3.33Å
477F87.3Confident87.9Confident27 Ų2756.4 Ų56.412%0.11829%0.285CS..Hα-helixtrans-57.5-37-177.7178.8-97.9000112.9F467 I471 R475 S481 E518 A520F467-F477 AromaticContact CZ-CE2 3.89Å; F467-F477 HydrophobicContact CZ-CE2 3.89Å; F467-F477 HydrophobicContact CZ-CZ 4.44Å; I471-F477 HydrophobicContact CD1-CD2 4.04Å; I471-F477 HydrophobicContact CD1-CE2 3.93Å; I471-F477 HydrophobicContact CG1-CD2 4.1Å; I471-F477 HydrophobicContact CG1-CE2 4.49Å; R475-F477 PolarHBondContact O-N 3.28Å; R475-F477 VanDerWaalsContact O-N 3.08Å; F477-S481 WeakPolarHBondContact CE1-OG 3.31Å; F477-S481 WeakPolarHBondContact CZ-OG 3.5Å; F477-S481 WeakPolarHBondContact O-CB 3.48Å; F477-S481 PolarHBondContact O-N 3.4Å; F477-S481 PolarHBondContact O-OG 3.36Å; F477-E518 HydrophobicContact CD1-CB 4.16Å; F477-E518 HydrophobicContact CD1-CG 4.45Å; F477-E518 HydrophobicContact CD2-CB 4.33Å; F477-E518 HydrophobicContact CD2-CG 3.76Å; F477-E518 HydrophobicContact CE1-CB 3.96Å; F477-E518 HydrophobicContact CE1-CG 4.4Å; F477-E518 HydrophobicContact CE2-CB 4.13Å; F477-E518 HydrophobicContact CE2-CG 3.68Å; F477-E518 HydrophobicContact CG-CB 4.35Å; F477-E518 HydrophobicContact CG-CG 4.15Å; F477-E518 HydrophobicContact CZ-CB 3.94Å; F477-E518 HydrophobicContact CZ-CG 4.02Å; F477-A520 HydrophobicContact CD1-CB 4.35Å; F477-A520 HydrophobicContact CE1-CB 3.88Å
478V87.4Confident87.9Confident67 Ų6756.4 Ų56.441%0.40629%0.285SS..Hα-helixtrans-67.7-48-178.7-179.20000110.3N476 S481 E482N476-V478 VanDerWaalsContact C-N 3.25Å; N476-V478 PolarHBondContact O-N 2.86Å; N476-V478 PolarHBondContact OD1-N 3.4Å; V478-S481 PolarHBondContact O-N 3.02Å; V478-E482 WeakPolarHBondContact O-CG 3.36Å; V478-E482 PolarHBondContact O-N 3.19Å
479E87.2Confident88Confident110 Ų11053.7 Ų53.751%0.51427%0.273SS..Hα-helixtrans-63.1-46178.7-173.2-175.7175.400111.4N476 S481 E482 Q483N476-E479 HydrophobicContact CB-CB 4.13Å; N476-E479 PolarHBondContact O-N 2.88Å; E479-S481 VanDerWaalsContact C-N 3.28Å; E479-S481 PolarHBondContact O-N 3.15Å; E479-E482 PolarHBondContact O-N 2.88Å; E479-Q483 WeakPolarHBondContact O-CG 3.38Å; E479-Q483 PolarHBondContact O-N 3.12Å
480A88.8Confident88.2Confident3 Ų356 Ų563%0.02528%0.283CS..Hα-helixtrans-59.2-40.8175.400000111.8F467 M470 N476 F484F467-A480 HydrophobicContact CD2-CB 4.15Å; F467-A480 HydrophobicContact CE2-CB 4.05Å; M470-A480 HydrophobicContact CB-CB 4.28Å; M470-A480 HydrophobicContact CE-CB 3.61Å; M470-A480 HydrophobicContact SD-CB 4.16Å; N476-A480 WeakPolarHBondContact O-CB 3.28Å; N476-A480 PolarHBondContact O-N 3.33Å; A480-F484 VanDerWaalsContact O-CB 3.31Å; A480-F484 WeakPolarHBondContact O-CB 3.25Å; A480-F484 PolarHBondContact O-N 3.46Å
481S91.4Very high88.1Confident0 Ų056 Ų560%028%0.284CS..Hα-helixtrans-70.4-38.3179.1-60.70000112F477 V478 E479 F484 V485F477-S481 WeakPolarHBondContact CE1-OG 3.31Å; F477-S481 WeakPolarHBondContact CZ-OG 3.5Å; F477-S481 WeakPolarHBondContact O-CB 3.48Å; F477-S481 PolarHBondContact O-N 3.4Å; F477-S481 PolarHBondContact O-OG 3.36Å; V478-S481 PolarHBondContact O-N 3.02Å; E479-S481 VanDerWaalsContact C-N 3.28Å; E479-S481 PolarHBondContact O-N 3.15Å; S481-F484 PolarHBondContact O-N 2.66Å; S481-V485 WeakPolarHBondContact O-CB 3.44Å; S481-V485 VanDerWaalsContact O-CG2 3.23Å; S481-V485 WeakPolarHBondContact O-CG2 3.48Å; S481-V485 PolarHBondContact O-N 3.29Å
482E91.6Very high87.9Confident99 Ų9953.8 Ų53.846%0.46327%0.272SS..Hα-helixtrans-65-44.3175.2-74.7177.3171.700111.3V478 E479 F484 V485 E486V478-E482 WeakPolarHBondContact O-CG 3.36Å; V478-E482 PolarHBondContact O-N 3.19Å; E479-E482 PolarHBondContact O-N 2.88Å; E482-F484 VanDerWaalsContact C-N 3.33Å; E482-F484 PolarHBondContact O-N 3.4Å; E482-V485 PolarHBondContact O-N 3.45Å; E482-E486 PolarHBondContact O-N 2.98Å
483Q91.1Very high87.7Confident43 Ų4347.2 Ų47.220%0.20124%0.243CC..Hα-helixtrans-60.1-43.6173-68.9-17824.200111.7V458 E479 V485 E486 V487V458-Q483 HydrophobicContact CB-CB 4.37Å; V458-Q483 HydrophobicContact CG2-CB 3.83Å; E479-Q483 WeakPolarHBondContact O-CG 3.38Å; E479-Q483 PolarHBondContact O-N 3.12Å; Q483-V485 VanDerWaalsContact C-N 3.34Å; Q483-V485 PolarHBondContact O-N 2.68Å; Q483-E486 PolarHBondContact O-N 3.09Å; Q483-V487 WeakPolarHBondContact O-CG2 3.26Å; Q483-V487 PolarHBondContact O-N 3.28Å; Q483-V487 VanDerWaalsContact O-N 3.1Å
484F92.9Very high87.2Confident0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-65-39.1178.8-170.3-141.9000111.8V458 P463 V464 F467 A480 S481 E482 V487 I488 C507 M510 L511V458-F484 HydrophobicContact CG1-CD2 4.02Å; V458-F484 HydrophobicContact CG2-CB 4.27Å; P463-F484 HydrophobicContact CB-CD2 4.06Å; P463-F484 HydrophobicContact CB-CE2 3.76Å; P463-F484 HydrophobicContact CG-CE2 4.34Å; P463-F484 WeakPolarHBondContact O-CE2 3.49Å; V464-F484 HydrophobicContact CG2-CZ 4.19Å; F467-F484 HydrophobicContact CB-CD1 4.17Å; F467-F484 HydrophobicContact CB-CD2 4.11Å; F467-F484 HydrophobicContact CB-CE1 4.35Å; F467-F484 HydrophobicContact CB-CE2 4.29Å; F467-F484 HydrophobicContact CB-CG 4.06Å; F467-F484 HydrophobicContact CB-CZ 4.4Å; F467-F484 AromaticContact CD1-CD1 3.74Å; F467-F484 HydrophobicContact CD1-CD1 3.74Å; F467-F484 AromaticContact CD1-CE1 3.74Å; F467-F484 HydrophobicContact CD1-CE1 3.74Å; F467-F484 HydrophobicContact CD1-CG 4.44Å; F467-F484 HydrophobicContact CD1-CZ 4.43Å; F467-F484 HydrophobicContact CD2-CB 3.8Å; F467-F484 AromaticContact CD2-CD1 3.89Å; F467-F484 HydrophobicContact CD2-CD1 3.89Å; F467-F484 AromaticContact CD2-CG 3.97Å; F467-F484 HydrophobicContact CD2-CG 3.97Å; F467-F484 AromaticContact CE1-CD1 4Å; F467-F484 HydrophobicContact CE1-CD1 4Å; F467-F484 HydrophobicContact CE1-CE1 4.14Å; F467-F484 HydrophobicContact CE2-CB 4.26Å; F467-F484 HydrophobicContact CE2-CD1 4.17Å; F467-F484 HydrophobicContact CG-CB 4.25Å; F467-F484 AromaticContact CG-CD1 3.66Å; F467-F484 HydrophobicContact CG-CD1 3.66Å; F467-F484 HydrophobicContact CG-CD2 4.45Å; F467-F484 HydrophobicContact CG-CE1 4.01Å; F467-F484 AromaticContact CG-CG 3.91Å; F467-F484 HydrophobicContact CG-CG 3.91Å; F467-F484 HydrophobicContact CZ-CD1 4.2Å; A480-F484 VanDerWaalsContact O-CB 3.31Å; A480-F484 WeakPolarHBondContact O-CB 3.25Å; A480-F484 PolarHBondContact O-N 3.46Å; S481-F484 PolarHBondContact O-N 2.66Å; E482-F484 VanDerWaalsContact C-N 3.33Å; E482-F484 PolarHBondContact O-N 3.4Å; F484-V487 PolarHBondContact O-N 3.05Å; F484-I488 HydrophobicContact CD1-CD1 4.18Å; F484-I488 HydrophobicContact CD2-CD1 4.44Å; F484-I488 HydrophobicContact CE1-CD1 4.18Å; F484-I488 HydrophobicContact CE2-CD1 4.44Å; F484-I488 HydrophobicContact CG-CD1 4.31Å; F484-I488 HydrophobicContact CZ-CD1 4.32Å; F484-I488 VanDerWaalsContact O-CG1 3.24Å; F484-I488 WeakPolarHBondContact O-CG1 3.44Å; F484-I488 PolarHBondContact O-N 3.24Å; F484-C507 VanDerWaalsContact CE1-O 3.32Å; F484-C507 WeakPolarHBondContact CE1-O 3.48Å; F484-C507 HydrophobicContact CE2-CB 3.8Å; F484-C507 HydrophobicContact CZ-CB 3.61Å; F484-C507 WeakPolarHBondContact CZ-O 3.44Å; F484-M510 HydrophobicContact CE1-CB 4.46Å; F484-M510 HydrophobicContact CZ-CB 4.44Å; F484-L511 HydrophobicContact CD1-CB 3.92Å; F484-L511 HydrophobicContact CD1-CD1 4Å; F484-L511 HydrophobicContact CD1-CG 4.41Å; F484-L511 HydrophobicContact CE1-CB 3.75Å
485V93.2Very high86.3Confident14 Ų1447.4 Ų47.49%0.08523%0.23CC..Hα-helixtrans-60.1-46.1173.3163.60000111.4S481 E482 Q483 V487 I488 L489 L511 F527S481-V485 WeakPolarHBondContact O-CB 3.44Å; S481-V485 VanDerWaalsContact O-CG2 3.23Å; S481-V485 WeakPolarHBondContact O-CG2 3.48Å; S481-V485 PolarHBondContact O-N 3.29Å; E482-V485 PolarHBondContact O-N 3.45Å; Q483-V485 VanDerWaalsContact C-N 3.34Å; Q483-V485 PolarHBondContact O-N 2.68Å; V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.82Å; V485-I488 PolarHBondContact O-N 3.36Å; V485-I488 VanDerWaalsContact O-N 3.17Å; V485-L489 HydrophobicContact CG1-CD1 3.74Å; V485-L489 HydrophobicContact CG1-CG 4.26Å; V485-L489 VanDerWaalsContact O-CG 3.28Å; V485-L489 WeakPolarHBondContact O-CG 3.34Å; V485-L489 PolarHBondContact O-N 3.43Å; V485-L511 HydrophobicContact CG2-CD2 3.47Å; V485-L511 VanDerWaalsContact CG2-CD2 3.47Å; V485-F527 HydrophobicContact CG1-CB 4.15Å; V485-F527 HydrophobicContact CG1-CD2 3.77Å; V485-F527 HydrophobicContact CG1-CG 4.34Å; V485-F527 HydrophobicContact CG2-CB 3.94Å; V485-F527 HydrophobicContact CG2-CD2 4.26Å; V485-F527 HydrophobicContact CG2-CG 4.18Å
486E91.9Very high85.2Confident97 Ų9747.7 Ų47.745%0.45324%0.238SC..Hα-helixtrans-63.2-37.5178.2-68.5-59.9135.900111.9E482 Q483 L489 H490 R530E482-E486 PolarHBondContact O-N 2.98Å; Q483-E486 PolarHBondContact O-N 3.09Å; E486-L489 PolarHBondContact O-N 3.5Å; E486-H490 WeakPolarHBondContact O-CB 3.4Å; E486-H490 PolarHBondContact O-N 2.84Å; E486-R530 IonicContact OE1-CZ 2.72Å; E486-R530 IonicContact OE1-NH1 2.61Å; E486-R530 PolarHBondContact OE1-NH1 2.88Å; E486-R530 IonicContact OE2-NH1 2.64Å
487V90Very high84.2Confident16 Ų1647 Ų4710%0.09723%0.234CC..Hα-helixtrans-65.3-41.5173.3178.40000111.6V458 T460 P463 Q483 F484 V485 H490 L491V458-V487 HydrophobicContact CB-CG2 4.09Å; V458-V487 HydrophobicContact CG1-CB 4.33Å; V458-V487 HydrophobicContact CG1-CG2 3.82Å; T460-V487 HydrophobicContact CG2-CG1 4.31Å; P463-V487 HydrophobicContact CB-CG1 3.96Å; P463-V487 HydrophobicContact CG-CG1 4.38Å; Q483-V487 WeakPolarHBondContact O-CG2 3.26Å; Q483-V487 PolarHBondContact O-N 3.28Å; Q483-V487 VanDerWaalsContact O-N 3.1Å; F484-V487 PolarHBondContact O-N 3.05Å; V485-V487 VanDerWaalsContact C-N 3.31Å; V485-V487 PolarHBondContact O-N 2.82Å; V487-H490 PolarHBondContact O-N 3.03Å; V487-L491 HydrophobicContact CG1-CD1 4.23Å; V487-L491 HydrophobicContact CG1-CG 4.43Å; V487-L491 VanDerWaalsContact O-CG 3.31Å; V487-L491 WeakPolarHBondContact O-CG 3.38Å; V487-L491 PolarHBondContact O-N 3.26Å
488I90.1Very high83.4Confident0 Ų050 Ų500%025%0.25CS..Hα-helixtrans-61.8-46.9176.4-65.1164000110.1F484 V485 H490 L491 M492 A504 C507 L511 F527F484-I488 HydrophobicContact CD1-CD1 4.18Å; F484-I488 HydrophobicContact CD2-CD1 4.44Å; F484-I488 HydrophobicContact CE1-CD1 4.18Å; F484-I488 HydrophobicContact CE2-CD1 4.44Å; F484-I488 HydrophobicContact CG-CD1 4.31Å; F484-I488 HydrophobicContact CZ-CD1 4.32Å; F484-I488 VanDerWaalsContact O-CG1 3.24Å; F484-I488 WeakPolarHBondContact O-CG1 3.44Å; F484-I488 PolarHBondContact O-N 3.24Å; V485-I488 PolarHBondContact O-N 3.36Å; V485-I488 VanDerWaalsContact O-N 3.17Å; I488-H490 VanDerWaalsContact C-N 3.33Å; I488-H490 PolarHBondContact O-N 3.05Å; I488-L491 PolarHBondContact O-N 3.45Å; I488-M492 HydrophobicContact CG2-CG 4.17Å; I488-M492 HydrophobicContact CG2-SD 3.63Å; I488-M492 WeakPolarHBondContact O-CB 3.37Å; I488-M492 WeakPolarHBondContact O-CG 3.28Å; I488-M492 PolarHBondContact O-N 3.17Å; I488-A504 HydrophobicContact CG2-CB 4.44Å; I488-C507 HydrophobicContact CD1-CB 3.8Å; I488-C507 HydrophobicContact CG1-CB 3.53Å; I488-L511 HydrophobicContact CD1-CB 4.45Å; I488-L511 HydrophobicContact CD1-CD2 4.18Å; I488-F527 HydrophobicContact CB-CE2 4.19Å; I488-F527 HydrophobicContact CB-CZ 4.36Å; I488-F527 HydrophobicContact CG2-CE2 3.66Å; I488-F527 HydrophobicContact CG2-CZ 3.5Å
489L88.9Confident82.7Confident8 Ų849.6 Ų49.64%0.04224%0.243CC..Hα-helixtrans-62.5-39.5178.5-67.3170000112V485 E486 M492 F493 F527 I531V485-L489 HydrophobicContact CG1-CD1 3.74Å; V485-L489 HydrophobicContact CG1-CG 4.26Å; V485-L489 VanDerWaalsContact O-CG 3.28Å; V485-L489 WeakPolarHBondContact O-CG 3.34Å; V485-L489 PolarHBondContact O-N 3.43Å; E486-L489 PolarHBondContact O-N 3.5Å; L489-M492 PolarHBondContact O-N 3.2Å; L489-F493 HydrophobicContact CB-CD2 4.47Å; L489-F493 HydrophobicContact CD2-CD2 3.96Å; L489-F493 HydrophobicContact CD2-CE2 3.55Å; L489-F493 WeakPolarHBondContact O-CB 3.3Å; L489-F493 PolarHBondContact O-N 2.85Å; L489-F527 HydrophobicContact CD2-CD2 4.13Å; L489-F527 HydrophobicContact CD2-CE2 3.95Å; L489-F527 HydrophobicContact CG-CD2 4.32Å; L489-F527 HydrophobicContact CG-CE2 4.22Å; L489-I531 HydrophobicContact CD2-CG1 4.25Å
490H87.3Confident82.2Confident73 Ų7346.8 Ų46.834%0.33823%0.229SC..Iπ-helixtrans-60.5-46.6173.117877.2000111.7E486 V487 I488 M492 E494 A495E486-H490 WeakPolarHBondContact O-CB 3.4Å; E486-H490 PolarHBondContact O-N 2.84Å; V487-H490 PolarHBondContact O-N 3.03Å; I488-H490 VanDerWaalsContact C-N 3.33Å; I488-H490 PolarHBondContact O-N 3.05Å; H490-M492 VanDerWaalsContact C-N 3.27Å; H490-M492 PolarHBondContact O-N 3.41Å; H490-E494 IonicContact CE1-OE2 3.99Å; H490-E494 PolarHBondContact CE1-OE2 3.02Å; H490-E494 IonicContact CG-OE2 2.76Å; H490-E494 VanDerWaalsContact ND1-CD 3.29Å; H490-E494 IonicContact ND1-OE1 3.67Å; H490-E494 IonicContact ND1-OE2 2.66Å; H490-E494 PolarHBondContact ND1-OE2 3.37Å; H490-E494 WeakPolarHBondContact O-CB 3.33Å; H490-E494 PolarHBondContact O-N 2.89Å; H490-A495 PolarHBondContact O-N 3.1Å; H490-A495 VanDerWaalsContact O-N 3.09Å
491L84.2Confident81.7Confident6 Ų647.2 Ų47.23%0.03123%0.231CC..Iπ-helixtrans-63.4-32.8176.3-69.7174.4000112.7V487 I488 F500 K503 A504V487-L491 HydrophobicContact CG1-CD1 4.23Å; V487-L491 HydrophobicContact CG1-CG 4.43Å; V487-L491 VanDerWaalsContact O-CG 3.31Å; V487-L491 WeakPolarHBondContact O-CG 3.38Å; V487-L491 PolarHBondContact O-N 3.26Å; I488-L491 PolarHBondContact O-N 3.45Å; L491-F500 HydrophobicContact CB-CB 4.45Å; L491-F500 HydrophobicContact CD2-CB 4.37Å; L491-F500 HydrophobicContact CD2-CD1 3.94Å; L491-F500 HydrophobicContact CD2-CG 4.19Å; L491-K503 HydrophobicContact CD1-CD 4.06Å; L491-K503 HydrophobicContact CD1-CG 4.18Å; L491-K503 HydrophobicContact CD2-CD 4.46Å; L491-A504 HydrophobicContact CB-CB 4.29Å
492M83.2Confident81.3Confident4 Ų454.1 Ų54.12%0.0226%0.257CS..Iπ-helixtrans-80.4-44.4-178.7-67.4177.47600113.2I488 L489 H490 A504 F527 I531 W544 L548I488-M492 HydrophobicContact CG2-CG 4.17Å; I488-M492 HydrophobicContact CG2-SD 3.63Å; I488-M492 WeakPolarHBondContact O-CB 3.37Å; I488-M492 WeakPolarHBondContact O-CG 3.28Å; I488-M492 PolarHBondContact O-N 3.17Å; L489-M492 PolarHBondContact O-N 3.2Å; H490-M492 VanDerWaalsContact C-N 3.27Å; H490-M492 PolarHBondContact O-N 3.41Å; M492-A504 HydrophobicContact CG-CB 3.7Å; M492-F527 HydrophobicContact SD-CE2 4.34Å; M492-F527 HydrophobicContact SD-CZ 4.21Å; M492-I531 HydrophobicContact CE-CD1 3.75Å; M492-I531 HydrophobicContact CE-CG1 3.96Å; M492-I531 HydrophobicContact CE-CG2 4.17Å; M492-I531 HydrophobicContact SD-CD1 3.92Å; M492-I531 HydrophobicContact SD-CG1 4.24Å; M492-W544 HydrophobicContact CB-CD2 3.98Å; M492-W544 HydrophobicContact CB-CE3 3.86Å; M492-W544 HydrophobicContact CB-CH2 4.28Å; M492-W544 HydrophobicContact CB-CZ2 4.38Å; M492-W544 HydrophobicContact CB-CZ3 3.96Å; M492-W544 HydrophobicContact CE-CB 3.48Å; M492-W544 VanDerWaalsContact CE-CB 3.48Å; M492-W544 HydrophobicContact CE-CD2 3.85Å; M492-W544 HydrophobicContact CE-CE3 3.63Å; M492-W544 HydrophobicContact CE-CG 3.79Å; M492-W544 HydrophobicContact CG-CD2 4.06Å; M492-W544 HydrophobicContact CG-CE3 3.46Å; M492-W544 VanDerWaalsContact CG-CE3 3.46Å; M492-W544 HydrophobicContact CG-CH2 4.32Å; M492-W544 HydrophobicContact CG-CZ3 3.56Å; M492-W544 WeakPolarHBondContact O-CZ2 3.24Å; M492-W544 PolarHBondContact O-NE1 2.77Å; M492-W544 HydrophobicContact SD-CE3 4.34Å; M492-L548 HydrophobicContact CE-CD1 4.39Å
493F80.9Confident81Confident21 Ų2149.9 Ų49.99%0.09224%0.237CC..Iπ-helixtrans-115.9-23.7-164.5-58.1-41.8000114.3L489 H496 I531 E534 K541 W544L489-F493 HydrophobicContact CB-CD2 4.47Å; L489-F493 HydrophobicContact CD2-CD2 3.96Å; L489-F493 HydrophobicContact CD2-CE2 3.55Å; L489-F493 WeakPolarHBondContact O-CB 3.3Å; L489-F493 PolarHBondContact O-N 2.85Å; F493-H496 PolarHBondContact O-CE1 3.45Å; F493-H496 PolarHBondContact O-ND1 2.81Å; F493-H496 PolarHBondContact O-NE2 2.91Å; F493-I531 HydrophobicContact CE2-CG1 4.39Å; F493-I531 HydrophobicContact CZ-CB 4.44Å; F493-I531 HydrophobicContact CZ-CG1 4.17Å; F493-I531 HydrophobicContact CZ-CG2 4.31Å; F493-E534 HydrophobicContact CD2-CG 4.28Å; F493-E534 HydrophobicContact CE1-CB 4.27Å; F493-E534 HydrophobicContact CE2-CB 3.92Å; F493-E534 HydrophobicContact CE2-CG 3.81Å; F493-E534 HydrophobicContact CZ-CB 3.73Å; F493-E534 HydrophobicContact CZ-CG 4.16Å; F493-K541 HydrophobicContact CD1-CD 3.56Å; F493-K541 HydrophobicContact CD1-CG 4.02Å; F493-K541 HydrophobicContact CE1-CB 4.12Å; F493-K541 HydrophobicContact CE1-CD 3.67Å; F493-K541 HydrophobicContact CE1-CG 4.05Å; F493-K541 HydrophobicContact CG-CD 4.36Å; F493-W544 HydrophobicContact CE1-CG 4.47Å
494E72.5Confident80.8Confident130 Ų13047.9 Ų47.961%0.60723%0.228SC*.Iπ-helixtrans-97.6-34.8179.9-66.3-176.8-156.300111.9H490 H496H490-E494 IonicContact CE1-OE2 3.99Å; H490-E494 PolarHBondContact CE1-OE2 3.02Å; H490-E494 IonicContact CG-OE2 2.76Å; H490-E494 VanDerWaalsContact ND1-CD 3.29Å; H490-E494 IonicContact ND1-OE1 3.67Å; H490-E494 IonicContact ND1-OE2 2.66Å; H490-E494 PolarHBondContact ND1-OE2 3.37Å; H490-E494 WeakPolarHBondContact O-CB 3.33Å; H490-E494 PolarHBondContact O-N 2.89Å; E494-H496 PolarHBondContact O-N 3.15Å; E494-H496 PolarHBondContact O-ND1 3.32Å
495A64Low80.6Confident32 Ų3248.4 Ų48.426%0.26423%0.231SC..SBendtrans-73.2-14.2-177.900000114.2H490 D497 F500H490-A495 PolarHBondContact O-N 3.1Å; H490-A495 VanDerWaalsContact O-N 3.09Å; A495-D497 PolarHBondContact O-N 2.8Å; A495-F500 HydrophobicContact CB-CD2 3.44Å; A495-F500 VanDerWaalsContact CB-CD2 3.44Å; A495-F500 HydrophobicContact CB-CE2 3.72Å; A495-F500 HydrophobicContact CB-CG 4.28Å
496H58.4Low80.3Confident154 Ų15451.4 Ų51.471%0.71324%0.244SC*.  trans43.523175.4-64.587.4000116.3F493 E494F493-H496 PolarHBondContact O-CE1 3.45Å; F493-H496 PolarHBondContact O-ND1 2.81Å; F493-H496 PolarHBondContact O-NE2 2.91Å; E494-H496 PolarHBondContact O-N 3.15Å; E494-H496 PolarHBondContact O-ND1 3.32Å
497D66.8Low80.2Confident82 Ų8246.8 Ų46.844%0.43922%0.223SC..  trans-125.2124.9-177.3-165-22.1000110A495 F499 F500A495-D497 PolarHBondContact O-N 2.8Å; D497-F499 HydrophobicContact CB-CB 4.18Å; D497-F499 VanDerWaalsContact CG-CB 3.43Å; D497-F499 PolarHBondContact O-N 2.76Å; D497-F499 VanDerWaalsContact OD1-CB 3.22Å; D497-F499 WeakPolarHBondContact OD1-CB 3.06Å; D497-F499 PolarHBondContact OD1-N 2.84Å; D497-F500 HydrophobicContact CB-CD2 4.03Å; D497-F500 HydrophobicContact CB-CE2 4.19Å; D497-F500 PolarHBondContact O-N 2.82Å
498I70.2Confident80.3Confident91 Ų9146 Ų4647%0.46722%0.218SC..G310 helixtrans-51.2-26.6172.1-68.4174.2000110.5F500 L501 I593I498-F500 PolarHBondContact O-N 2.91Å; I498-L501 HydrophobicContact CB-CD1 3.82Å; I498-L501 HydrophobicContact CG1-CD1 3.97Å; I498-L501 HydrophobicContact CG2-CD1 3.54Å; I498-L501 VanDerWaalsContact O-CB 3.27Å; I498-L501 WeakPolarHBondContact O-CB 3.38Å; I498-L501 PolarHBondContact O-N 2.83Å; I498-I593 HydrophobicContact CD1-CD1 3.94Å
499F71.7Confident80.4Confident58 Ų5847.6 Ų47.625%0.25423%0.231SC..G310 helixtrans-48.6-40172.5-175-96.2000113.5D266 A269 T270 D497D266-F499 HydrophobicContact CB-CE1 4.45Å; D266-F499 HydrophobicContact CB-CZ 4.35Å; A269-F499 HydrophobicContact CB-CD2 4.2Å; A269-F499 HydrophobicContact CB-CE2 3.54Å; A269-F499 HydrophobicContact CB-CZ 3.75Å; T270-F499 HydrophobicContact CG2-CE2 3.72Å; T270-F499 HydrophobicContact CG2-CZ 3.6Å; D497-F499 HydrophobicContact CB-CB 4.18Å; D497-F499 VanDerWaalsContact CG-CB 3.43Å; D497-F499 PolarHBondContact O-N 2.76Å; D497-F499 VanDerWaalsContact OD1-CB 3.22Å; D497-F499 WeakPolarHBondContact OD1-CB 3.06Å; D497-F499 PolarHBondContact OD1-N 2.84Å
500F77.9Confident80.5Confident52 Ų5248.6 Ų48.623%0.22824%0.236CC..G310 helixtrans-86.4-6.1-177.5-60-69000114.3L491 A495 D497 I498 R502 K503 A504L491-F500 HydrophobicContact CB-CB 4.45Å; L491-F500 HydrophobicContact CD2-CB 4.37Å; L491-F500 HydrophobicContact CD2-CD1 3.94Å; L491-F500 HydrophobicContact CD2-CG 4.19Å; A495-F500 HydrophobicContact CB-CD2 3.44Å; A495-F500 VanDerWaalsContact CB-CD2 3.44Å; A495-F500 HydrophobicContact CB-CE2 3.72Å; A495-F500 HydrophobicContact CB-CG 4.28Å; D497-F500 HydrophobicContact CB-CD2 4.03Å; D497-F500 HydrophobicContact CB-CE2 4.19Å; D497-F500 PolarHBondContact O-N 2.82Å; I498-F500 PolarHBondContact O-N 2.91Å; F500-R502 VanDerWaalsContact C-N 3.32Å; F500-R502 PolarHBondContact O-N 2.82Å; F500-K503 HydrophobicContact CD1-CD 4.49Å; F500-K503 PolarHBondContact O-N 2.86Å; F500-K503 VanDerWaalsContact O-N 3.08Å; F500-A504 PolarHBondContact O-N 2.97Å
501L78.1Confident80.8Confident12 Ų1245.1 Ų45.16%0.06322%0.22CC..Hα-helixtrans-50.4-52.1178.8-83157.9000111.9I498 K503 A504 V505 V543 W544I498-L501 HydrophobicContact CB-CD1 3.82Å; I498-L501 HydrophobicContact CG1-CD1 3.97Å; I498-L501 HydrophobicContact CG2-CD1 3.54Å; I498-L501 VanDerWaalsContact O-CB 3.27Å; I498-L501 WeakPolarHBondContact O-CB 3.38Å; I498-L501 PolarHBondContact O-N 2.83Å; L501-K503 VanDerWaalsContact C-N 3.3Å; L501-K503 PolarHBondContact O-N 3.24Å; L501-A504 PolarHBondContact O-N 3.08Å; L501-V505 WeakPolarHBondContact O-CB 3.4Å; L501-V505 VanDerWaalsContact O-CG2 3.25Å; L501-V505 WeakPolarHBondContact O-CG2 3.5Å; L501-V505 PolarHBondContact O-N 2.72Å; L501-V543 HydrophobicContact CD1-CG1 4.36Å; L501-W544 VanDerWaalsContact CA-CZ3 3.44Å; L501-W544 HydrophobicContact CB-CH2 4.22Å; L501-W544 HydrophobicContact CB-CZ3 4.1Å; L501-W544 HydrophobicContact CD2-CD2 3.43Å; L501-W544 VanDerWaalsContact CD2-CD2 3.43Å; L501-W544 HydrophobicContact CD2-CE3 3.17Å; L501-W544 HydrophobicContact CD2-CG 4.2Å; L501-W544 HydrophobicContact CD2-CH2 3.63Å; L501-W544 HydrophobicContact CD2-CZ2 3.86Å; L501-W544 HydrophobicContact CD2-CZ3 3.33Å; L501-W544 HydrophobicContact CG-CD2 4.41Å; L501-W544 HydrophobicContact CG-CE3 4.07Å; L501-W544 HydrophobicContact CG-CH2 3.57Å; L501-W544 HydrophobicContact CG-CZ2 3.94Å; L501-W544 HydrophobicContact CG-CZ3 3.68Å
502R81.7Confident81.1Confident144 Ų14446.7 Ų46.754%0.54323%0.225SC..Hα-helixtrans-63.1-38.9-177.8-172.2178.2177.9128.41.8112.1F500 H506F500-R502 VanDerWaalsContact C-N 3.32Å; F500-R502 PolarHBondContact O-N 2.82Å; R502-H506 WeakPolarHBondContact O-CB 3.47Å; R502-H506 PolarHBondContact O-N 2.96Å
503K86Confident81.5Confident10 Ų1052.2 Ų52.24%0.04325%0.249CC..Hα-helixtrans-66.7-47.2178.5-169-180-167.3165.90110.5D266 T460 V461 L491 F500 L501 H506 C507D266-K503 WeakPolarHBondContact OD1-CD 3.42Å; D266-K503 IonicContact OD1-NZ 2.78Å; D266-K503 IonicContact OD2-NZ 3.81Å; D266-K503 PolarHBondContact OD2-NZ 3.13Å; T460-K503 PolarHBondContact O-NZ 2.78Å; V461-K503 WeakPolarHBondContact O-CE 3.45Å; V461-K503 PolarHBondContact O-NZ 2.82Å; L491-K503 HydrophobicContact CD1-CD 4.06Å; L491-K503 HydrophobicContact CD1-CG 4.18Å; L491-K503 HydrophobicContact CD2-CD 4.46Å; F500-K503 HydrophobicContact CD1-CD 4.49Å; F500-K503 PolarHBondContact O-N 2.86Å; F500-K503 VanDerWaalsContact O-N 3.08Å; L501-K503 VanDerWaalsContact C-N 3.3Å; L501-K503 PolarHBondContact O-N 3.24Å; K503-H506 PolarHBondContact O-N 3.18Å; K503-C507 PolarHBondContact O-N 2.96Å; K503-C507 PolarHBondContact O-SG 3.19Å
504A87Confident82Confident1 Ų151.6 Ų51.61%0.00825%0.248CC..Hα-helixtrans-63.5-43.8178.600000112.4I488 L491 M492 F500 L501 H506 C507 A508 W544I488-A504 HydrophobicContact CG2-CB 4.44Å; L491-A504 HydrophobicContact CB-CB 4.29Å; M492-A504 HydrophobicContact CG-CB 3.7Å; F500-A504 PolarHBondContact O-N 2.97Å; L501-A504 PolarHBondContact O-N 3.08Å; A504-H506 VanDerWaalsContact C-N 3.33Å; A504-H506 PolarHBondContact O-N 2.88Å; A504-C507 WeakPolarHBondContact O-CB 3.26Å; A504-C507 PolarHBondContact O-N 2.92Å; A504-A508 WeakPolarHBondContact O-CB 3.48Å; A504-A508 PolarHBondContact O-N 3.01Å; A504-W544 HydrophobicContact CB-CE3 4.44Å; A504-W544 HydrophobicContact CB-CZ3 3.73Å
505V87.7Confident82.9Confident12 Ų1245.4 Ų45.47%0.07322%0.219CC..Hα-helixtrans-60.6-43.6175.5170.90000110.6L501 C507 A508 A509 L548 D551 L553L501-V505 WeakPolarHBondContact O-CB 3.4Å; L501-V505 VanDerWaalsContact O-CG2 3.25Å; L501-V505 WeakPolarHBondContact O-CG2 3.5Å; L501-V505 PolarHBondContact O-N 2.72Å; V505-C507 VanDerWaalsContact C-N 3.35Å; V505-C507 PolarHBondContact O-N 3.39Å; V505-A508 PolarHBondContact O-N 3.4Å; V505-A509 WeakPolarHBondContact O-CB 3.29Å; V505-A509 PolarHBondContact O-N 3.19Å; V505-L548 HydrophobicContact CG2-CD2 4.22Å; V505-D551 HydrophobicContact CG1-CB 4.32Å; V505-D551 VanDerWaalsContact CG1-OD2 3.24Å; V505-D551 WeakPolarHBondContact CG1-OD2 3.42Å; V505-L553 HydrophobicContact CG1-CD1 3.78Å
506H87.9Confident84Confident76 Ų7646 Ų4635%0.35222%0.219SC..Hα-helixtrans-62.9-40.9175.6-170.464.1000112.4L265 R502 K503 A504 A509 M510L265-H506 HydrophobicContact CD1-CB 4.34Å; L265-H506 WeakPolarHBondContact CD1-CD2 3.46Å; R502-H506 WeakPolarHBondContact O-CB 3.47Å; R502-H506 PolarHBondContact O-N 2.96Å; K503-H506 PolarHBondContact O-N 3.18Å; A504-H506 VanDerWaalsContact C-N 3.33Å; A504-H506 PolarHBondContact O-N 2.88Å; H506-A509 PolarHBondContact O-N 3.48Å; H506-M510 WeakPolarHBondContact O-CG 3.24Å; H506-M510 PolarHBondContact O-N 3.43Å
507C90.6Very high85.4Confident1 Ų144.9 Ų44.91%0.00721%0.214CC..Hα-helixtrans-64-43.8174.8-64.10000111.7P463 V464 F484 I488 K503 A504 V505 A509 M510 L511P463-C507 WeakPolarHBondContact CG-SG 3.33Å; V464-C507 HydrophobicContact CG2-CB 4.48Å; F484-C507 VanDerWaalsContact CE1-O 3.32Å; F484-C507 WeakPolarHBondContact CE1-O 3.48Å; F484-C507 HydrophobicContact CE2-CB 3.8Å; F484-C507 HydrophobicContact CZ-CB 3.61Å; F484-C507 WeakPolarHBondContact CZ-O 3.44Å; I488-C507 HydrophobicContact CD1-CB 3.8Å; I488-C507 HydrophobicContact CG1-CB 3.53Å; K503-C507 PolarHBondContact O-N 2.96Å; K503-C507 PolarHBondContact O-SG 3.19Å; A504-C507 WeakPolarHBondContact O-CB 3.26Å; A504-C507 PolarHBondContact O-N 2.92Å; V505-C507 VanDerWaalsContact C-N 3.35Å; V505-C507 PolarHBondContact O-N 3.39Å; C507-A509 VanDerWaalsContact C-N 3.35Å; C507-A509 PolarHBondContact O-N 2.89Å; C507-M510 PolarHBondContact O-N 3.34Å; C507-L511 PolarHBondContact O-N 2.8Å
508A90.9Very high86.4Confident0 Ų046.1 Ų46.10%022%0.217CC..Hα-helixtrans-62.8-40.1176.600000111.9A504 V505 M510 L511 R512 Y524 F527 L548 L553A504-A508 WeakPolarHBondContact O-CB 3.48Å; A504-A508 PolarHBondContact O-N 3.01Å; V505-A508 PolarHBondContact O-N 3.4Å; A508-M510 VanDerWaalsContact C-N 3.33Å; A508-M510 PolarHBondContact O-N 3.3Å; A508-L511 PolarHBondContact O-N 2.9Å; A508-R512 WeakPolarHBondContact O-CB 3.39Å; A508-R512 PolarHBondContact O-N 3.4Å; A508-Y524 WeakPolarHBondContact O-CE2 3.36Å; A508-F527 HydrophobicContact CB-CE1 4.11Å; A508-F527 HydrophobicContact CB-CZ 4.33Å; A508-L548 HydrophobicContact CB-CD2 3.77Å; A508-L553 HydrophobicContact CB-CD1 4.44Å
509A91.6Very high87Confident33 Ų3344.9 Ų44.927%0.27322%0.216SC..Hα-helixtrans-61.1-42.9173.600000111.8V505 H506 C507 R512 K513 L553V505-A509 WeakPolarHBondContact O-CB 3.29Å; V505-A509 PolarHBondContact O-N 3.19Å; H506-A509 PolarHBondContact O-N 3.48Å; C507-A509 VanDerWaalsContact C-N 3.35Å; C507-A509 PolarHBondContact O-N 2.89Å; A509-R512 PolarHBondContact O-N 3.49Å; A509-K513 WeakPolarHBondContact O-CB 3.44Å; A509-K513 PolarHBondContact O-N 3.35Å; A509-L553 HydrophobicContact CB-CD1 3.92Å; A509-L553 HydrophobicContact CB-CD2 3.8Å
510M92Very high87.7Confident28 Ų2843.2 Ų43.214%0.13821%0.214CC..Hα-helixtrans-67.4-40177.2-75.6-57.5-46.500112.8V464 Q468 F484 H506 C507 A508 S514V464-M510 HydrophobicContact CG1-CB 4.35Å; V464-M510 HydrophobicContact CG1-CE 4.42Å; V464-M510 HydrophobicContact CG1-CG 3.75Å; V464-M510 HydrophobicContact CG1-SD 4.49Å; V464-M510 HydrophobicContact CG2-CB 4.42Å; V464-M510 HydrophobicContact CG2-CG 4.16Å; Q468-M510 HydrophobicContact CG-CE 4.39Å; F484-M510 HydrophobicContact CE1-CB 4.46Å; F484-M510 HydrophobicContact CZ-CB 4.44Å; H506-M510 WeakPolarHBondContact O-CG 3.24Å; H506-M510 PolarHBondContact O-N 3.43Å; C507-M510 PolarHBondContact O-N 3.34Å; A508-M510 VanDerWaalsContact C-N 3.33Å; A508-M510 PolarHBondContact O-N 3.3Å; M510-S514 WeakPolarHBondContact O-CB 3.49Å; M510-S514 PolarHBondContact O-N 3.46Å; M510-S514 VanDerWaalsContact O-N 3.07Å; M510-S514 PolarHBondContact O-OG 3.46Å
511L92.7Very high88.1Confident0 Ų040.8 Ų40.80%020%0.203CC..Hα-helixtrans-62.1-48.6173.3179.363.9000110.5F467 F484 V485 I488 C507 A508 K513 S514 C515 Y524 F527F467-L511 HydrophobicContact CZ-CD1 4.19Å; F484-L511 HydrophobicContact CD1-CB 3.92Å; F484-L511 HydrophobicContact CD1-CD1 4Å; F484-L511 HydrophobicContact CD1-CG 4.41Å; F484-L511 HydrophobicContact CE1-CB 3.75Å; V485-L511 HydrophobicContact CG2-CD2 3.47Å; V485-L511 VanDerWaalsContact CG2-CD2 3.47Å; I488-L511 HydrophobicContact CD1-CB 4.45Å; I488-L511 HydrophobicContact CD1-CD2 4.18Å; C507-L511 PolarHBondContact O-N 2.8Å; A508-L511 PolarHBondContact O-N 2.9Å; L511-K513 PolarHBondContact O-N 2.96Å; L511-S514 PolarHBondContact O-N 3.27Å; L511-C515 WeakPolarHBondContact O-CB 3.47Å; L511-C515 PolarHBondContact O-N 3.27Å; L511-C515 PolarHBondContact O-SG 2.88Å; L511-Y524 HydrophobicContact CB-CD2 4.43Å; L511-Y524 HydrophobicContact CD2-CD2 3.97Å; L511-Y524 HydrophobicContact CG-CD2 3.99Å; L511-F527 HydrophobicContact CD2-CD1 4.23Å; L511-F527 HydrophobicContact CD2-CG 4.48Å
512R92.3Very high88.6Confident40 Ų4043.4 Ų43.415%0.15122%0.217CC..Hα-helixtrans-55.2-50.8178.5-168.9-177.6-172.2-78.5-4.1111.3A508 A509 S514 C515 V516 Y524 G554 I556 E560A508-R512 WeakPolarHBondContact O-CB 3.39Å; A508-R512 PolarHBondContact O-N 3.4Å; A509-R512 PolarHBondContact O-N 3.49Å; R512-S514 VanDerWaalsContact C-N 3.32Å; R512-S514 PolarHBondContact O-N 3.4Å; R512-C515 PolarHBondContact O-N 2.9Å; R512-V516 WeakPolarHBondContact O-CG2 3.3Å; R512-V516 PolarHBondContact O-N 2.83Å; R512-V516 VanDerWaalsContact O-N 3.08Å; R512-Y524 HydrophobicContact CB-CD1 4.49Å; R512-Y524 HydrophobicContact CB-CD2 4Å; R512-Y524 HydrophobicContact CB-CE1 4.12Å; R512-Y524 HydrophobicContact CB-CE2 3.62Å; R512-Y524 HydrophobicContact CB-CG 4.41Å; R512-Y524 HydrophobicContact CG-CD1 4.12Å; R512-Y524 HydrophobicContact CG-CE1 3.71Å; R512-Y524 HydrophobicContact CG-CE2 4.17Å; R512-Y524 HydrophobicContact CG-CG 4.48Å; R512-G554 PolarHBondContact NE-O 3.49Å; R512-G554 VanDerWaalsContact NE-O 3.09Å; R512-I556 HydrophobicContact CG-CD1 4.13Å; R512-I556 HydrophobicContact CG-CG1 4Å; R512-E560 IonicContact CZ-OE1 3.84Å; R512-E560 VanDerWaalsContact CZ-OE1 3.31Å; R512-E560 IonicContact CZ-OE2 3.58Å; R512-E560 IonicContact NH1-OE1 3.06Å; R512-E560 PolarHBondContact NH1-OE1 2.76Å; R512-E560 IonicContact NH2-OE1 3.91Å; R512-E560 PolarHBondContact NH2-OE1 3.33Å; R512-E560 IonicContact NH2-OE2 2.99Å; R512-E560 PolarHBondContact NH2-OE2 2.95Å
513K91.2Very high89Confident120 Ų12037.1 Ų37.152%0.52220%0.195SC..Hα-helixtrans-57.7-45.2178.9-177.2179.4178-179.30111.7A509 L511 V516 Q517A509-K513 WeakPolarHBondContact O-CB 3.44Å; A509-K513 PolarHBondContact O-N 3.35Å; L511-K513 PolarHBondContact O-N 2.96Å; K513-V516 PolarHBondContact O-N 3.42Å; K513-Q517 WeakPolarHBondContact O-CG 3.06Å; K513-Q517 PolarHBondContact O-N 3.19Å
514S91.2Very high89.2Confident8 Ų836.7 Ų36.76%0.05619%0.193CC..Hα-helixtrans-70-39.1-178.2-50.10000111.7M510 L511 R512 V516 Q517 E518M510-S514 WeakPolarHBondContact O-CB 3.49Å; M510-S514 PolarHBondContact O-N 3.46Å; M510-S514 VanDerWaalsContact O-N 3.07Å; M510-S514 PolarHBondContact O-OG 3.46Å; L511-S514 PolarHBondContact O-N 3.27Å; R512-S514 VanDerWaalsContact C-N 3.32Å; R512-S514 PolarHBondContact O-N 3.4Å; S514-V516 VanDerWaalsContact C-N 3.31Å; S514-V516 PolarHBondContact O-N 3.35Å; S514-Q517 PolarHBondContact O-N 3.47Å; S514-E518 PolarHBondContact O-N 3.42Å
515C90.2Very high89.5Confident0 Ų037.5 Ų37.50%020%0.197CC..Hα-helixtrans-63.8-33.1175-71.10000113.3L511 R512 S519 A520 I556L511-C515 WeakPolarHBondContact O-CB 3.47Å; L511-C515 PolarHBondContact O-N 3.27Å; L511-C515 PolarHBondContact O-SG 2.88Å; R512-C515 PolarHBondContact O-N 2.9Å; C515-S519 PolarHBondContact O-N 3.2Å; C515-A520 PolarHBondContact O-N 3.04Å; C515-I556 HydrophobicContact CB-CD1 3.97Å
516V88.4Confident89.6Confident45 Ų4544.1 Ų44.127%0.27322%0.221SC..Hα-helixtrans-69.1-43.3173.5173.30000110.7R512 K513 S514 S519 I556R512-V516 WeakPolarHBondContact O-CG2 3.3Å; R512-V516 PolarHBondContact O-N 2.83Å; R512-V516 VanDerWaalsContact O-N 3.08Å; K513-V516 PolarHBondContact O-N 3.42Å; S514-V516 VanDerWaalsContact C-N 3.31Å; S514-V516 PolarHBondContact O-N 3.35Å; V516-S519 PolarHBondContact O-N 3.31Å; V516-I556 HydrophobicContact CG2-CD1 3.82Å; V516-I556 HydrophobicContact CG2-CG1 4.12Å; V516-I556 HydrophobicContact CG2-CG2 4.1Å
517Q87.9Confident89.8Confident130 Ų13040.7 Ų40.761%0.60721%0.205SC*.Hα-helixtrans-64.2-46.6179.7-71.6176.8-24.800112.5K513 S514 S519K513-Q517 WeakPolarHBondContact O-CG 3.06Å; K513-Q517 PolarHBondContact O-N 3.19Å; S514-Q517 PolarHBondContact O-N 3.47Å; Q517-S519 PolarHBondContact O-N 2.9Å
518E86.2Confident89.8Confident108 Ų10840.7 Ų40.751%0.50521%0.205SC..THydrogen-bonded Turntrans-82.77.7179.6-65.7-62.7151.900113.3F477 S514 A520F477-E518 HydrophobicContact CD1-CB 4.16Å; F477-E518 HydrophobicContact CD1-CG 4.45Å; F477-E518 HydrophobicContact CD2-CB 4.33Å; F477-E518 HydrophobicContact CD2-CG 3.76Å; F477-E518 HydrophobicContact CE1-CB 3.96Å; F477-E518 HydrophobicContact CE1-CG 4.4Å; F477-E518 HydrophobicContact CE2-CB 4.13Å; F477-E518 HydrophobicContact CE2-CG 3.68Å; F477-E518 HydrophobicContact CG-CB 4.35Å; F477-E518 HydrophobicContact CG-CG 4.15Å; F477-E518 HydrophobicContact CZ-CB 3.94Å; F477-E518 HydrophobicContact CZ-CG 4.02Å; S514-E518 PolarHBondContact O-N 3.42Å; E518-A520 PolarHBondContact O-N 3.48Å; E518-A520 VanDerWaalsContact O-N 3.15Å
519S84Confident89.7Confident64 Ų6442 Ų4245%0.44822%0.218SC..THydrogen-bonded Turntrans53.833.7179.4-61.60000114.6C515 V516 Q517 P521 S563C515-S519 PolarHBondContact O-N 3.2Å; V516-S519 PolarHBondContact O-N 3.31Å; Q517-S519 PolarHBondContact O-N 2.9Å; S519-P521 WeakPolarHBondContact O-CD 3.34Å; S519-S563 WeakPolarHBondContact O-CB 3.07Å; S519-S563 PolarHBondContact O-OG 2.81Å
520A86.2Confident89.6Confident24 Ų2445.8 Ų45.820%0.19823%0.225CC..  trans-117.759-178.500000112.8F477 C515 E518 N522 V523F477-A520 HydrophobicContact CD1-CB 4.35Å; F477-A520 HydrophobicContact CE1-CB 3.88Å; C515-A520 PolarHBondContact O-N 3.04Å; E518-A520 PolarHBondContact O-N 3.48Å; E518-A520 VanDerWaalsContact O-N 3.15Å; A520-N522 PolarHBondContact O-N 2.92Å; A520-V523 PolarHBondContact O-N 2.87Å
521P86.8Confident89.5Confident0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-66.1-22.1-175.228-36000113.7S519 V523 Y524 N525 I556S519-P521 WeakPolarHBondContact O-CD 3.34Å; P521-V523 PolarHBondContact O-N 3.08Å; P521-Y524 PolarHBondContact O-N 2.99Å; P521-N525 WeakPolarHBondContact O-CB 3.33Å; P521-N525 PolarHBondContact O-N 3.3Å; P521-I556 HydrophobicContact CB-CB 3.93Å; P521-I556 HydrophobicContact CB-CD1 4.13Å; P521-I556 HydrophobicContact CB-CG2 3.79Å
522N88.7Confident89.2Confident67 Ų6746.1 Ų46.136%0.35823%0.226SC..Hα-helixtrans-60.5-32.4-178.1-66.2-46.2000112.9A520 R526A520-N522 PolarHBondContact O-N 2.92Å; N522-R526 WeakPolarHBondContact O-CB 3.17Å; N522-R526 PolarHBondContact O-N 3.08Å
523V88.9Confident89Confident13 Ų1349.6 Ų49.68%0.07924%0.244CC..Hα-helixtrans-67.8-49.9-179.7-178.60000110.2A520 P521 R526 F527A520-V523 PolarHBondContact O-N 2.87Å; P521-V523 PolarHBondContact O-N 3.08Å; V523-R526 PolarHBondContact O-N 3.45Å; V523-F527 PolarHBondContact O-N 3.32Å
524Y91.6Very high88.7Confident0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-65.8-44.3178.7-176.6-102.6000112.7A508 L511 R512 P521 R526 F527 L528 L553 G554 I556A508-Y524 WeakPolarHBondContact O-CE2 3.36Å; L511-Y524 HydrophobicContact CB-CD2 4.43Å; L511-Y524 HydrophobicContact CD2-CD2 3.97Å; L511-Y524 HydrophobicContact CG-CD2 3.99Å; R512-Y524 HydrophobicContact CB-CD1 4.49Å; R512-Y524 HydrophobicContact CB-CD2 4Å; R512-Y524 HydrophobicContact CB-CE1 4.12Å; R512-Y524 HydrophobicContact CB-CE2 3.62Å; R512-Y524 HydrophobicContact CB-CG 4.41Å; R512-Y524 HydrophobicContact CG-CD1 4.12Å; R512-Y524 HydrophobicContact CG-CE1 3.71Å; R512-Y524 HydrophobicContact CG-CE2 4.17Å; R512-Y524 HydrophobicContact CG-CG 4.48Å; P521-Y524 PolarHBondContact O-N 2.99Å; Y524-R526 VanDerWaalsContact C-N 3.3Å; Y524-R526 PolarHBondContact O-N 3.37Å; Y524-F527 HydrophobicContact CD2-CD1 4.02Å; Y524-F527 HydrophobicContact CE2-CD1 4.02Å; Y524-F527 HydrophobicContact CE2-CE1 4.12Å; Y524-F527 WeakPolarHBondContact O-CB 3.47Å; Y524-F527 PolarHBondContact O-N 2.88Å; Y524-F527 VanDerWaalsContact O-N 3.16Å; Y524-L528 HydrophobicContact CD1-CD1 4.07Å; Y524-L528 HydrophobicContact CD1-CG 4.33Å; Y524-L528 HydrophobicContact CE1-CD1 3.47Å; Y524-L528 VanDerWaalsContact CE1-CD1 3.47Å; Y524-L528 HydrophobicContact CE1-CD2 4.45Å; Y524-L528 HydrophobicContact CE1-CG 3.91Å; Y524-L528 PolarHBondContact O-N 3.27Å; Y524-L553 PolarHBondContact OH-O 2.77Å; Y524-L553 VanDerWaalsContact OH-O 3.04Å; Y524-G554 WeakPolarHBondContact CE1-O 3.43Å; Y524-I556 HydrophobicContact CD1-CD1 3.72Å; Y524-I556 HydrophobicContact CD1-CG1 3.75Å; Y524-I556 HydrophobicContact CE1-CG1 4.27Å; Y524-I556 HydrophobicContact CG-CD1 4.01Å
525N91.7Very high88.3Confident18 Ų1846 Ų4610%0.09623%0.229CC..Hα-helixtrans-65.7-33.6179.2-69.3-11.3000111.9P521 L528 G529 P555 I556 S564 L566P521-N525 WeakPolarHBondContact O-CB 3.33Å; P521-N525 PolarHBondContact O-N 3.3Å; N525-L528 PolarHBondContact O-N 2.94Å; N525-G529 PolarHBondContact O-N 2.76Å; N525-P555 WeakPolarHBondContact OD1-CA 3.44Å; N525-I556 PolarHBondContact ND2-O 3.03Å; N525-I556 PolarHBondContact OD1-N 3.4Å; N525-S564 PolarHBondContact ND2-OG 2.81Å; N525-L566 HydrophobicContact CB-CD1 4.36Å
526R90.9Very high88Confident151 Ų15150.5 Ų50.557%0.5725%0.252SS*.Hα-helixtrans-65.8-42.7172-173.5-172.6-57.1127.70.5111.7N522 V523 Y524 G529 R530N522-R526 WeakPolarHBondContact O-CB 3.17Å; N522-R526 PolarHBondContact O-N 3.08Å; V523-R526 PolarHBondContact O-N 3.45Å; Y524-R526 VanDerWaalsContact C-N 3.3Å; Y524-R526 PolarHBondContact O-N 3.37Å; R526-G529 PolarHBondContact O-N 2.89Å; R526-G529 VanDerWaalsContact O-N 3.16Å; R526-R530 PolarHBondContact O-N 2.83Å
527F91.7Very high87.8Confident5 Ų554.5 Ų54.52%0.02227%0.268CS..Hα-helixtrans-57.7-47.3174.1156.8-108.8000111.9V485 I488 L489 M492 A508 L511 V523 Y524 G529 R530 I531V485-F527 HydrophobicContact CG1-CB 4.15Å; V485-F527 HydrophobicContact CG1-CD2 3.77Å; V485-F527 HydrophobicContact CG1-CG 4.34Å; V485-F527 HydrophobicContact CG2-CB 3.94Å; V485-F527 HydrophobicContact CG2-CD2 4.26Å; V485-F527 HydrophobicContact CG2-CG 4.18Å; I488-F527 HydrophobicContact CB-CE2 4.19Å; I488-F527 HydrophobicContact CB-CZ 4.36Å; I488-F527 HydrophobicContact CG2-CE2 3.66Å; I488-F527 HydrophobicContact CG2-CZ 3.5Å; L489-F527 HydrophobicContact CD2-CD2 4.13Å; L489-F527 HydrophobicContact CD2-CE2 3.95Å; L489-F527 HydrophobicContact CG-CD2 4.32Å; L489-F527 HydrophobicContact CG-CE2 4.22Å; M492-F527 HydrophobicContact SD-CE2 4.34Å; M492-F527 HydrophobicContact SD-CZ 4.21Å; A508-F527 HydrophobicContact CB-CE1 4.11Å; A508-F527 HydrophobicContact CB-CZ 4.33Å; L511-F527 HydrophobicContact CD2-CD1 4.23Å; L511-F527 HydrophobicContact CD2-CG 4.48Å; V523-F527 PolarHBondContact O-N 3.32Å; Y524-F527 HydrophobicContact CD2-CD1 4.02Å; Y524-F527 HydrophobicContact CE2-CD1 4.02Å; Y524-F527 HydrophobicContact CE2-CE1 4.12Å; Y524-F527 WeakPolarHBondContact O-CB 3.47Å; Y524-F527 PolarHBondContact O-N 2.88Å; Y524-F527 VanDerWaalsContact O-N 3.16Å; F527-G529 VanDerWaalsContact C-N 3.29Å; F527-G529 PolarHBondContact O-N 2.79Å; F527-R530 WeakPolarHBondContact O-CB 3.33Å; F527-R530 PolarHBondContact O-N 3.21Å; F527-R530 VanDerWaalsContact O-N 3.12Å; F527-I531 HydrophobicContact CD1-CD1 4.18Å; F527-I531 HydrophobicContact CD2-CD1 4.01Å; F527-I531 HydrophobicContact CD2-CG1 4.42Å; F527-I531 HydrophobicContact CE1-CD1 3.57Å; F527-I531 HydrophobicContact CE2-CD1 3.39Å; F527-I531 HydrophobicContact CE2-CG1 4Å; F527-I531 HydrophobicContact CG-CD1 4.39Å; F527-I531 HydrophobicContact CZ-CD1 3.15Å; F527-I531 HydrophobicContact CZ-CG1 4.24Å; F527-I531 PolarHBondContact O-N 2.8Å; F527-I531 VanDerWaalsContact O-N 3.08Å
528L90.3Very high87.5Confident0 Ų051 Ų510%025%0.254CS..Hα-helixtrans-62.7-35.1174.7-69.4-174.5000112.8Y524 N525 R530 I531 K532 L548 P555 F574 F575Y524-L528 HydrophobicContact CD1-CD1 4.07Å; Y524-L528 HydrophobicContact CD1-CG 4.33Å; Y524-L528 HydrophobicContact CE1-CD1 3.47Å; Y524-L528 VanDerWaalsContact CE1-CD1 3.47Å; Y524-L528 HydrophobicContact CE1-CD2 4.45Å; Y524-L528 HydrophobicContact CE1-CG 3.91Å; Y524-L528 PolarHBondContact O-N 3.27Å; N525-L528 PolarHBondContact O-N 2.94Å; L528-R530 VanDerWaalsContact C-N 3.31Å; L528-R530 PolarHBondContact O-N 3.43Å; L528-I531 HydrophobicContact CD2-CD1 4.12Å; L528-I531 PolarHBondContact O-N 3.43Å; L528-K532 WeakPolarHBondContact O-CB 3.29Å; L528-K532 PolarHBondContact O-N 2.79Å; L528-L548 HydrophobicContact CD2-CD1 4.12Å; L528-P555 HydrophobicContact CD1-CB 3.99Å; L528-F574 HydrophobicContact CB-CE1 4.11Å; L528-F575 HydrophobicContact CB-CZ 4.28Å; L528-F575 HydrophobicContact CD1-CE2 4.4Å; L528-F575 HydrophobicContact CD2-CZ 4.24Å
529G89.8Confident87Confident28 Ų2850.3 Ų50.329%0.28926%0.261SS..Hα-helixtrans-59.4-40.7172.400000112.9N525 R526 F527 K532 Q533N525-G529 PolarHBondContact O-N 2.76Å; R526-G529 PolarHBondContact O-N 2.89Å; R526-G529 VanDerWaalsContact O-N 3.16Å; F527-G529 VanDerWaalsContact C-N 3.29Å; F527-G529 PolarHBondContact O-N 2.79Å; G529-K532 PolarHBondContact O-N 3.26Å; G529-Q533 PolarHBondContact O-N 2.87Å
530R89.7Confident86.6Confident112 Ų11254.3 Ų54.342%0.42327%0.272SS..Hα-helixtrans-66.8-42.2175.6-167.2163.6178.2-169.6-4.4111.7E486 R526 F527 L528 K532 Q533 E534E486-R530 IonicContact OE1-CZ 2.72Å; E486-R530 IonicContact OE1-NH1 2.61Å; E486-R530 PolarHBondContact OE1-NH1 2.88Å; E486-R530 IonicContact OE2-NH1 2.64Å; R526-R530 PolarHBondContact O-N 2.83Å; F527-R530 WeakPolarHBondContact O-CB 3.33Å; F527-R530 PolarHBondContact O-N 3.21Å; F527-R530 VanDerWaalsContact O-N 3.12Å; L528-R530 VanDerWaalsContact C-N 3.31Å; L528-R530 PolarHBondContact O-N 3.43Å; R530-K532 VanDerWaalsContact C-N 3.33Å; R530-K532 PolarHBondContact O-N 2.82Å; R530-Q533 PolarHBondContact O-N 3.41Å; R530-E534 VanDerWaalsContact O-CG 3.26Å; R530-E534 WeakPolarHBondContact O-CG 3.3Å; R530-E534 PolarHBondContact O-N 2.93Å
531I88.4Confident86.2Confident1 Ų154.8 Ų54.81%0.00527%0.27CS..Hα-helixtrans-61.6-43173.9-65.8164.2000111.2L489 M492 F493 F527 L528 Q533 E534 A535 V545 L548L489-I531 HydrophobicContact CD2-CG1 4.25Å; M492-I531 HydrophobicContact CE-CD1 3.75Å; M492-I531 HydrophobicContact CE-CG1 3.96Å; M492-I531 HydrophobicContact CE-CG2 4.17Å; M492-I531 HydrophobicContact SD-CD1 3.92Å; M492-I531 HydrophobicContact SD-CG1 4.24Å; F493-I531 HydrophobicContact CE2-CG1 4.39Å; F493-I531 HydrophobicContact CZ-CB 4.44Å; F493-I531 HydrophobicContact CZ-CG1 4.17Å; F493-I531 HydrophobicContact CZ-CG2 4.31Å; F527-I531 HydrophobicContact CD1-CD1 4.18Å; F527-I531 HydrophobicContact CD2-CD1 4.01Å; F527-I531 HydrophobicContact CD2-CG1 4.42Å; F527-I531 HydrophobicContact CE1-CD1 3.57Å; F527-I531 HydrophobicContact CE2-CD1 3.39Å; F527-I531 HydrophobicContact CE2-CG1 4Å; F527-I531 HydrophobicContact CG-CD1 4.39Å; F527-I531 HydrophobicContact CZ-CD1 3.15Å; F527-I531 HydrophobicContact CZ-CG1 4.24Å; F527-I531 PolarHBondContact O-N 2.8Å; F527-I531 VanDerWaalsContact O-N 3.08Å; L528-I531 HydrophobicContact CD2-CD1 4.12Å; L528-I531 PolarHBondContact O-N 3.43Å; I531-Q533 VanDerWaalsContact C-N 3.35Å; I531-Q533 PolarHBondContact O-N 3.15Å; I531-E534 PolarHBondContact O-N 3.04Å; I531-A535 VanDerWaalsContact O-CB 3.29Å; I531-A535 WeakPolarHBondContact O-CB 3.34Å; I531-A535 PolarHBondContact O-N 3.06Å; I531-V545 HydrophobicContact CG2-CG2 3.79Å; I531-L548 HydrophobicContact CD1-CD1 3.83Å
532K86.8Confident85.8Confident34 Ų3456.8 Ų56.815%0.14828%0.28CS..Hα-helixtrans-59.1-47177.8179.9179.9173.1175.40110.9L528 G529 R530 A535 L536 F574 F575 E577 V578L528-K532 WeakPolarHBondContact O-CB 3.29Å; L528-K532 PolarHBondContact O-N 2.79Å; G529-K532 PolarHBondContact O-N 3.26Å; R530-K532 VanDerWaalsContact C-N 3.33Å; R530-K532 PolarHBondContact O-N 2.82Å; K532-A535 PolarHBondContact O-N 2.6Å; K532-L536 HydrophobicContact CG-CD1 4.14Å; K532-L536 VanDerWaalsContact O-CG 3.3Å; K532-L536 WeakPolarHBondContact O-CG 3.49Å; K532-L536 PolarHBondContact O-N 3.07Å; K532-F574 HydrophobicContact CB-CE1 4.06Å; K532-F574 HydrophobicContact CD-CD1 4.2Å; K532-F574 HydrophobicContact CD-CE1 3.85Å; K532-F574 HydrophobicContact CD-CZ 4.13Å; K532-F574 WeakPolarHBondContact CD-O 3.15Å; K532-F574 VanDerWaalsContact CE-O 3.32Å; K532-F574 WeakPolarHBondContact CE-O 3.35Å; K532-F574 PolarHBondContact NZ-O 3.25Å; K532-F575 HydrophobicContact CB-CD1 4.48Å; K532-F575 HydrophobicContact CB-CE1 4.02Å; K532-E577 WeakPolarHBondContact CE-OE2 3.39Å; K532-E577 IonicContact NZ-OE2 2.65Å; K532-E577 PolarHBondContact NZ-OE2 3.5Å; K532-V578 HydrophobicContact CG-CG2 4.06Å
533Q87.9Confident85.4Confident113 Ų11356.5 Ų56.553%0.52828%0.281SS..Hα-helixtrans-60-49177.7-176.8180-8.200111.4G529 R530 I531 A535 L536 E537G529-Q533 PolarHBondContact O-N 2.87Å; R530-Q533 PolarHBondContact O-N 3.41Å; I531-Q533 VanDerWaalsContact C-N 3.35Å; I531-Q533 PolarHBondContact O-N 3.15Å; Q533-A535 VanDerWaalsContact C-N 3.31Å; Q533-A535 PolarHBondContact O-N 3.46Å; Q533-L536 PolarHBondContact O-N 3.08Å; Q533-E537 WeakPolarHBondContact CG-OE1 3.45Å; Q533-E537 PolarHBondContact NE2-OE1 3.12Å; Q533-E537 WeakPolarHBondContact O-CG 3.35Å; Q533-E537 PolarHBondContact O-N 3.34Å
534E84.5Confident85Confident49 Ų4956.9 Ų56.923%0.22928%0.281CS..Hα-helixtrans-62.2-36.1179-70.1-77.4176.900112.8F493 R530 I531 E537 N538 K541F493-E534 HydrophobicContact CD2-CG 4.28Å; F493-E534 HydrophobicContact CE1-CB 4.27Å; F493-E534 HydrophobicContact CE2-CB 3.92Å; F493-E534 HydrophobicContact CE2-CG 3.81Å; F493-E534 HydrophobicContact CZ-CB 3.73Å; F493-E534 HydrophobicContact CZ-CG 4.16Å; R530-E534 VanDerWaalsContact O-CG 3.26Å; R530-E534 WeakPolarHBondContact O-CG 3.3Å; R530-E534 PolarHBondContact O-N 2.93Å; I531-E534 PolarHBondContact O-N 3.04Å; E534-E537 PolarHBondContact O-N 3.29Å; E534-N538 PolarHBondContact O-N 3.4Å; E534-K541 HydrophobicContact CB-CD 4.08Å; E534-K541 IonicContact OE2-NZ 2.98Å; E534-K541 PolarHBondContact OE2-NZ 3.43Å
535A83Confident84.6Confident3 Ų356.9 Ų56.93%0.02528%0.281CS..Hα-helixtrans-73.2-28.8176.700000113.4I531 K532 Q533 I542 V545 V578I531-A535 VanDerWaalsContact O-CB 3.29Å; I531-A535 WeakPolarHBondContact O-CB 3.34Å; I531-A535 PolarHBondContact O-N 3.06Å; K532-A535 PolarHBondContact O-N 2.6Å; Q533-A535 VanDerWaalsContact C-N 3.31Å; Q533-A535 PolarHBondContact O-N 3.46Å; A535-I542 HydrophobicContact CB-CG1 4.5Å; A535-V545 HydrophobicContact CB-CG2 3.65Å; A535-V578 HydrophobicContact CB-CG1 4.29Å
536L84.1Confident84.1Confident95 Ų9556.3 Ų56.350%0.49728%0.278SS..Hα-helixtrans-73.9-33.1172.6-71.8168.9000111.6K532 Q533 V578K532-L536 HydrophobicContact CG-CD1 4.14Å; K532-L536 VanDerWaalsContact O-CG 3.3Å; K532-L536 WeakPolarHBondContact O-CG 3.49Å; K532-L536 PolarHBondContact O-N 3.07Å; Q533-L536 PolarHBondContact O-N 3.08Å; L536-V578 HydrophobicContact CD2-CG2 4.05Å; L536-V578 HydrophobicContact CG-CG2 4.18Å
537E84.6Confident83.6Confident130 Ų13050 Ų5061%0.60726%0.257SS*.Hα-helixtrans-78.4-32.9178.9-70.4175.5-164.600112.7Q533 E534Q533-E537 WeakPolarHBondContact CG-OE1 3.45Å; Q533-E537 PolarHBondContact NE2-OE1 3.12Å; Q533-E537 WeakPolarHBondContact O-CG 3.35Å; Q533-E537 PolarHBondContact O-N 3.34Å; E534-E537 PolarHBondContact O-N 3.29Å
538N81.6Confident83.3Confident56 Ų5649.8 Ų49.830%0.29926%0.256SS..  trans-131.7116.9-179.7-175.6-12.2000112.4E534 E540 K541E534-N538 PolarHBondContact O-N 3.4Å; N538-E540 VanDerWaalsContact C-N 3.27Å; N538-E540 PolarHBondContact O-N 3.16Å; N538-E540 WeakPolarHBondContact OD1-CB 3.49Å; N538-E540 PolarHBondContact OD1-N 3.48Å; N538-K541 HydrophobicContact CB-CB 4.45Å; N538-K541 HydrophobicContact CB-CD 3.92Å; N538-K541 HydrophobicContact CB-CG 3.97Å; N538-K541 WeakPolarHBondContact O-CB 3.32Å; N538-K541 PolarHBondContact O-N 3Å
539S76.7Confident82.9Confident93 Ų9352.1 Ų52.165%0.6527%0.269SS*.G310 helixtrans-60.2-30.4-18055.50000114.2K541 I542S539-K541 PolarHBondContact O-N 3.11Å; S539-I542 WeakPolarHBondContact O-CB 3.33Å; S539-I542 WeakPolarHBondContact O-CG1 3.48Å; S539-I542 PolarHBondContact O-N 3.46Å
540E75Confident82.5Confident149 Ų14953.3 Ų53.370%0.69628%0.276SS*.G310 helixtrans-67.5-26.5177.4-64.4-176.4165.800111.7N538 I542N538-E540 VanDerWaalsContact C-N 3.27Å; N538-E540 PolarHBondContact O-N 3.16Å; N538-E540 WeakPolarHBondContact OD1-CB 3.49Å; N538-E540 PolarHBondContact OD1-N 3.48Å; E540-I542 VanDerWaalsContact C-N 3.26Å; E540-I542 PolarHBondContact O-N 3.09Å
541K77Confident82.1Confident33 Ų3352.1 Ų52.114%0.14328%0.278CS..G310 helixtrans-78.3-9.2-179.2-63-177.5-176.9-173.90113.2F493 E534 N538 S539 V543 W544F493-K541 HydrophobicContact CD1-CD 3.56Å; F493-K541 HydrophobicContact CD1-CG 4.02Å; F493-K541 HydrophobicContact CE1-CB 4.12Å; F493-K541 HydrophobicContact CE1-CD 3.67Å; F493-K541 HydrophobicContact CE1-CG 4.05Å; F493-K541 HydrophobicContact CG-CD 4.36Å; E534-K541 HydrophobicContact CB-CD 4.08Å; E534-K541 IonicContact OE2-NZ 2.98Å; E534-K541 PolarHBondContact OE2-NZ 3.43Å; N538-K541 HydrophobicContact CB-CB 4.45Å; N538-K541 HydrophobicContact CB-CD 3.92Å; N538-K541 HydrophobicContact CB-CG 3.97Å; N538-K541 WeakPolarHBondContact O-CB 3.32Å; N538-K541 PolarHBondContact O-N 3Å; S539-K541 PolarHBondContact O-N 3.11Å; K541-V543 PolarHBondContact O-N 3Å; K541-W544 WeakPolarHBondContact O-CB 3.4Å; K541-W544 PolarHBondContact O-N 3.08Å; K541-W544 VanDerWaalsContact O-N 3.16Å
542I79.9Confident81.8Confident42 Ų4258.6 Ų58.622%0.21531%0.312CS..Hα-helixtrans-60.6-30.2177.1-62.8173.7000111.4A535 S539 E540 W544 V545 S546 V578 A580A535-I542 HydrophobicContact CB-CG1 4.5Å; S539-I542 WeakPolarHBondContact O-CB 3.33Å; S539-I542 WeakPolarHBondContact O-CG1 3.48Å; S539-I542 PolarHBondContact O-N 3.46Å; E540-I542 VanDerWaalsContact C-N 3.26Å; E540-I542 PolarHBondContact O-N 3.09Å; I542-W544 PolarHBondContact O-N 3.34Å; I542-W544 VanDerWaalsContact O-N 3.15Å; I542-V545 WeakPolarHBondContact O-CB 3.21Å; I542-V545 PolarHBondContact O-N 2.99Å; I542-S546 PolarHBondContact O-N 3.23Å; I542-S546 PolarHBondContact O-OG 2.87Å; I542-V578 HydrophobicContact CG1-CG1 4.1Å; I542-V578 HydrophobicContact CG2-CG1 4.07Å; I542-A580 HydrophobicContact CG2-CB 4.03Å
543V80.4Confident81.8Confident62 Ų6257.6 Ų57.638%0.37631%0.309SS..Hα-helixtrans-56-33.9178-179.30000112.2L501 K541 S547 P584L501-V543 HydrophobicContact CD1-CG1 4.36Å; K541-V543 PolarHBondContact O-N 3Å; V543-S547 WeakPolarHBondContact O-CB 3.48Å; V543-S547 PolarHBondContact O-N 3.32Å; V543-S547 PolarHBondContact O-OG 3.22Å; V543-P584 HydrophobicContact CG1-CG 4.31Å
544W78.9Confident81.7Confident21 Ų2153 Ų538%0.0829%0.291CS..Hα-helixtrans-68-43177.4-64.599.4000112.2M492 F493 L501 A504 K541 I542 S547 L548M492-W544 HydrophobicContact CB-CD2 3.98Å; M492-W544 HydrophobicContact CB-CE3 3.86Å; M492-W544 HydrophobicContact CB-CH2 4.28Å; M492-W544 HydrophobicContact CB-CZ2 4.38Å; M492-W544 HydrophobicContact CB-CZ3 3.96Å; M492-W544 HydrophobicContact CE-CB 3.48Å; M492-W544 VanDerWaalsContact CE-CB 3.48Å; M492-W544 HydrophobicContact CE-CD2 3.85Å; M492-W544 HydrophobicContact CE-CE3 3.63Å; M492-W544 HydrophobicContact CE-CG 3.79Å; M492-W544 HydrophobicContact CG-CD2 4.06Å; M492-W544 HydrophobicContact CG-CE3 3.46Å; M492-W544 VanDerWaalsContact CG-CE3 3.46Å; M492-W544 HydrophobicContact CG-CH2 4.32Å; M492-W544 HydrophobicContact CG-CZ3 3.56Å; M492-W544 WeakPolarHBondContact O-CZ2 3.24Å; M492-W544 PolarHBondContact O-NE1 2.77Å; M492-W544 HydrophobicContact SD-CE3 4.34Å; F493-W544 HydrophobicContact CE1-CG 4.47Å; L501-W544 VanDerWaalsContact CA-CZ3 3.44Å; L501-W544 HydrophobicContact CB-CH2 4.22Å; L501-W544 HydrophobicContact CB-CZ3 4.1Å; L501-W544 HydrophobicContact CD2-CD2 3.43Å; L501-W544 VanDerWaalsContact CD2-CD2 3.43Å; L501-W544 HydrophobicContact CD2-CE3 3.17Å; L501-W544 HydrophobicContact CD2-CG 4.2Å; L501-W544 HydrophobicContact CD2-CH2 3.63Å; L501-W544 HydrophobicContact CD2-CZ2 3.86Å; L501-W544 HydrophobicContact CD2-CZ3 3.33Å; L501-W544 HydrophobicContact CG-CD2 4.41Å; L501-W544 HydrophobicContact CG-CE3 4.07Å; L501-W544 HydrophobicContact CG-CH2 3.57Å; L501-W544 HydrophobicContact CG-CZ2 3.94Å; L501-W544 HydrophobicContact CG-CZ3 3.68Å; A504-W544 HydrophobicContact CB-CE3 4.44Å; A504-W544 HydrophobicContact CB-CZ3 3.73Å; K541-W544 WeakPolarHBondContact O-CB 3.4Å; K541-W544 PolarHBondContact O-N 3.08Å; K541-W544 VanDerWaalsContact O-N 3.16Å; I542-W544 PolarHBondContact O-N 3.34Å; I542-W544 VanDerWaalsContact O-N 3.15Å; W544-S547 PolarHBondContact O-N 3.07Å; W544-L548 WeakPolarHBondContact O-CG 3.38Å; W544-L548 PolarHBondContact O-N 3.08Å
545V82.9Confident81.9Confident0 Ų051 Ų510%028%0.283CS..Hα-helixtrans-62.9-47.1176.4177.80000109.8I531 A535 I542 S547 L548 L549 F575 V578 A580I531-V545 HydrophobicContact CG2-CG2 3.79Å; A535-V545 HydrophobicContact CB-CG2 3.65Å; I542-V545 WeakPolarHBondContact O-CB 3.21Å; I542-V545 PolarHBondContact O-N 2.99Å; V545-S547 VanDerWaalsContact C-N 3.27Å; V545-S547 PolarHBondContact O-N 3.38Å; V545-L548 PolarHBondContact O-N 3.34Å; V545-L549 HydrophobicContact CG1-CD1 3.92Å; V545-L549 HydrophobicContact CG1-CG 4.38Å; V545-L549 WeakPolarHBondContact O-CB 3.49Å; V545-L549 VanDerWaalsContact O-CG 3.31Å; V545-L549 WeakPolarHBondContact O-CG 3.28Å; V545-L549 PolarHBondContact O-N 3Å; V545-F575 HydrophobicContact CG1-CB 4.25Å; V545-F575 HydrophobicContact CG1-CD1 3.4Å; V545-F575 HydrophobicContact CG1-CD2 4.44Å; V545-F575 HydrophobicContact CG1-CE1 3.73Å; V545-F575 HydrophobicContact CG1-CG 3.8Å; V545-F575 HydrophobicContact CG1-CZ 4.36Å; V545-F575 HydrophobicContact CG2-CD1 4.39Å; V545-F575 HydrophobicContact CG2-CE1 4.11Å; V545-V578 HydrophobicContact CG1-CG1 4.38Å; V545-V578 HydrophobicContact CG2-CG1 4.47Å; V545-A580 HydrophobicContact CB-CB 4.36Å; V545-A580 HydrophobicContact CG1-CB 3.9Å
546S81.1Confident82.2Confident6 Ų650.9 Ų50.94%0.04228%0.281CS..Hα-helixtrans-60.5-37.1177.5-61.10000112.3I542 A550 A580 T581 A583I542-S546 PolarHBondContact O-N 3.23Å; I542-S546 PolarHBondContact O-OG 2.87Å; S546-A550 WeakPolarHBondContact O-CB 3.29Å; S546-A550 PolarHBondContact O-N 3.36Å; S546-A580 WeakPolarHBondContact OG-CB 2.97Å; S546-T581 PolarHBondContact OG-O 3.25Å; S546-T581 VanDerWaalsContact OG-O 3.14Å; S546-A583 WeakPolarHBondContact CB-O 3.39Å; S546-A583 PolarHBondContact OG-O 3.35Å
547S82Confident82.3Confident17 Ų1747 Ų4712%0.11926%0.262CS..Hα-helixtrans-69.8-40.7177.8-58.10000112.7V543 W544 V545 A550V543-S547 WeakPolarHBondContact O-CB 3.48Å; V543-S547 PolarHBondContact O-N 3.32Å; V543-S547 PolarHBondContact O-OG 3.22Å; W544-S547 PolarHBondContact O-N 3.07Å; V545-S547 VanDerWaalsContact C-N 3.27Å; V545-S547 PolarHBondContact O-N 3.38Å; S547-A550 PolarHBondContact O-N 3.48Å
548L84.4Confident82.3Confident2 Ų243.5 Ų43.51%0.0125%0.252CS..Hα-helixtrans-63.9-42.6174-70.1171.6000111.5M492 V505 A508 L528 I531 W544 V545 A550 D551 D552 L553M492-L548 HydrophobicContact CE-CD1 4.39Å; V505-L548 HydrophobicContact CG2-CD2 4.22Å; A508-L548 HydrophobicContact CB-CD2 3.77Å; L528-L548 HydrophobicContact CD2-CD1 4.12Å; I531-L548 HydrophobicContact CD1-CD1 3.83Å; W544-L548 WeakPolarHBondContact O-CG 3.38Å; W544-L548 PolarHBondContact O-N 3.08Å; V545-L548 PolarHBondContact O-N 3.34Å; L548-A550 VanDerWaalsContact C-N 3.3Å; L548-A550 PolarHBondContact O-N 3.01Å; L548-D551 PolarHBondContact O-N 3.38Å; L548-D552 PolarHBondContact O-N 2.87Å; L548-L553 HydrophobicContact CB-CB 4.23Å; L548-L553 HydrophobicContact CD2-CB 4.15Å; L548-L553 HydrophobicContact CD2-CD1 3.82Å; L548-L553 WeakPolarHBondContact O-CB 3.26Å; L548-L553 PolarHBondContact O-N 3.05Å
549L82.9Confident82.3Confident49 Ų4944.6 Ų44.626%0.25727%0.269SS..Hα-helixtrans-67.4-29178-70.4176.2000113V545 D551 D552 F575 A580V545-L549 HydrophobicContact CG1-CD1 3.92Å; V545-L549 HydrophobicContact CG1-CG 4.38Å; V545-L549 WeakPolarHBondContact O-CB 3.49Å; V545-L549 VanDerWaalsContact O-CG 3.31Å; V545-L549 WeakPolarHBondContact O-CG 3.28Å; V545-L549 PolarHBondContact O-N 3Å; L549-D551 VanDerWaalsContact C-N 3.28Å; L549-D551 PolarHBondContact O-N 3.21Å; L549-D552 PolarHBondContact O-N 3.34Å; L549-F575 HydrophobicContact CD1-CB 4.15Å; L549-F575 HydrophobicContact CD1-CD2 4.43Å; L549-F575 HydrophobicContact CD1-CG 4.43Å; L549-F575 HydrophobicContact CD2-CD2 3.8Å; L549-F575 HydrophobicContact CD2-CE2 4.34Å; L549-F575 HydrophobicContact CG-CD2 4.35Å; L549-A580 HydrophobicContact CD1-CB 4.33Å
550A79.8Confident82.6Confident53 Ų5344.2 Ų44.244%0.43826%0.257SS..Hα-helixtrans-66.6-30.2176.300000112.9S546 S547 L548S546-A550 WeakPolarHBondContact O-CB 3.29Å; S546-A550 PolarHBondContact O-N 3.36Å; S547-A550 PolarHBondContact O-N 3.48Å; L548-A550 VanDerWaalsContact C-N 3.3Å; L548-A550 PolarHBondContact O-N 3.01Å
551D81.2Confident82.9Confident87 Ų8737.4 Ų37.447%0.46523%0.226SC..THydrogen-bonded Turntrans-9917.3177.9-76.71.1000112.5V505 L548 L549 L553V505-D551 HydrophobicContact CG1-CB 4.32Å; V505-D551 VanDerWaalsContact CG1-OD2 3.24Å; V505-D551 WeakPolarHBondContact CG1-OD2 3.42Å; L548-D551 PolarHBondContact O-N 3.38Å; L549-D551 VanDerWaalsContact C-N 3.28Å; L549-D551 PolarHBondContact O-N 3.21Å; D551-L553 HydrophobicContact CB-CD1 4.17Å; D551-L553 HydrophobicContact CB-CG 4.06Å; D551-L553 PolarHBondContact O-N 3.15Å
552D82.6Confident83.1Confident137 Ų13741.4 Ų41.473%0.73326%0.257SS*.THydrogen-bonded Turntrans56.329.8-179-63-50000114L548 L549 G554L548-D552 PolarHBondContact O-N 2.87Å; L549-D552 PolarHBondContact O-N 3.34Å; D552-G554 PolarHBondContact O-N 3.26Å
553L86.7Confident83.1Confident13 Ų1342 Ų427%0.06827%0.265CS..  trans-87.248.6178.8-58.1178.2000112V505 A508 A509 Y524 L548 D551V505-L553 HydrophobicContact CG1-CD1 3.78Å; A508-L553 HydrophobicContact CB-CD1 4.44Å; A509-L553 HydrophobicContact CB-CD1 3.92Å; A509-L553 HydrophobicContact CB-CD2 3.8Å; Y524-L553 PolarHBondContact OH-O 2.77Å; Y524-L553 VanDerWaalsContact OH-O 3.04Å; L548-L553 HydrophobicContact CB-CB 4.23Å; L548-L553 HydrophobicContact CD2-CB 4.15Å; L548-L553 HydrophobicContact CD2-CD1 3.82Å; L548-L553 WeakPolarHBondContact O-CB 3.26Å; L548-L553 PolarHBondContact O-N 3.05Å; D551-L553 HydrophobicContact CB-CD1 4.17Å; D551-L553 HydrophobicContact CB-CG 4.06Å; D551-L553 PolarHBondContact O-N 3.15Å
554G86.4Confident83.2Confident15 Ų1539.6 Ų39.616%0.15525%0.251CS..PPolyproline II helixtrans-76.7172.7172.400000113R512 Y524 D552R512-G554 PolarHBondContact NE-O 3.49Å; R512-G554 VanDerWaalsContact NE-O 3.09Å; Y524-G554 WeakPolarHBondContact CE1-O 3.43Å; D552-G554 PolarHBondContact O-N 3.26Å
555P88.4Confident83.3Confident9 Ų947.2 Ų47.26%0.05829%0.285CS..PPolyproline II helixtrans-56.8146.9178.324.4-33.7000112.3N525 L528 S557 L566 A571 F574N525-P555 WeakPolarHBondContact OD1-CA 3.44Å; L528-P555 HydrophobicContact CD1-CB 3.99Å; P555-S557 PolarHBondContact O-N 2.95Å; P555-L566 HydrophobicContact CB-CD1 3.91Å; P555-A571 HydrophobicContact CG-CB 3.89Å; P555-A571 VanDerWaalsContact CG-O 3.26Å; P555-A571 WeakPolarHBondContact CG-O 3.4Å; P555-F574 HydrophobicContact CG-CB 3.87Å; P555-F574 HydrophobicContact CG-CD1 4.46Å; P555-F574 HydrophobicContact CG-CG 4.09Å
556I88.6Confident83.4Confident0 Ų049 Ų490%029%0.294CS..PPolyproline II helixtrans-76.6119179-60.7165000108.1R512 C515 V516 P521 Y524 N525 E560 S564R512-I556 HydrophobicContact CG-CD1 4.13Å; R512-I556 HydrophobicContact CG-CG1 4Å; C515-I556 HydrophobicContact CB-CD1 3.97Å; V516-I556 HydrophobicContact CG2-CD1 3.82Å; V516-I556 HydrophobicContact CG2-CG1 4.12Å; V516-I556 HydrophobicContact CG2-CG2 4.1Å; P521-I556 HydrophobicContact CB-CB 3.93Å; P521-I556 HydrophobicContact CB-CD1 4.13Å; P521-I556 HydrophobicContact CB-CG2 3.79Å; Y524-I556 HydrophobicContact CD1-CD1 3.72Å; Y524-I556 HydrophobicContact CD1-CG1 3.75Å; Y524-I556 HydrophobicContact CE1-CG1 4.27Å; Y524-I556 HydrophobicContact CG-CD1 4.01Å; N525-I556 PolarHBondContact ND2-O 3.03Å; N525-I556 PolarHBondContact OD1-N 3.4Å; I556-E560 HydrophobicContact CG2-CB 4.03Å; I556-S564 PolarHBondContact O-OG 2.84Å
557S88Confident83.6Confident13 Ų1350.8 Ų50.89%0.09131%0.307CS..PPolyproline II helixtrans-86.6166.8-179.168.90000112.7P555 A559 E560 S561P555-S557 PolarHBondContact O-N 2.95Å; S557-A559 PolarHBondContact O-N 2.99Å; S557-A559 VanDerWaalsContact O-N 3.16Å; S557-A559 PolarHBondContact OG-N 3.14Å; S557-E560 PolarHBondContact N-OE2 3.32Å; S557-E560 PolarHBondContact O-N 3.32Å; S557-E560 VanDerWaalsContact O-N 3.15Å; S557-S561 PolarHBondContact O-N 3.48Å; S557-S561 VanDerWaalsContact O-N 3.15Å
558S83.6Confident83.5Confident57 Ų5753.2 Ų53.240%0.39932%0.323SS..THydrogen-bonded Turntrans-60.2-18.5172.9640000113.9S561 L566S558-S561 WeakPolarHBondContact CA-O 3.45Å; S558-L566 PolarHBondContact N-O 2.97Å
559A82.3Confident83.4Confident78 Ų7860.6 Ų60.665%0.64536%0.358SS*.THydrogen-bonded Turntrans-76.2-32.5175.700000112.9S557S557-A559 PolarHBondContact O-N 2.99Å; S557-A559 VanDerWaalsContact O-N 3.16Å; S557-A559 PolarHBondContact OG-N 3.14Å
560E82.6Confident83.4Confident86 Ų8663.2 Ų63.240%0.40237%0.368SS..THydrogen-bonded Turntrans-87.9-33.1179-69.7174.6106.600112.2R512 I556 S557R512-E560 IonicContact CZ-OE1 3.84Å; R512-E560 VanDerWaalsContact CZ-OE1 3.31Å; R512-E560 IonicContact CZ-OE2 3.58Å; R512-E560 IonicContact NH1-OE1 3.06Å; R512-E560 PolarHBondContact NH1-OE1 2.76Å; R512-E560 IonicContact NH2-OE1 3.91Å; R512-E560 PolarHBondContact NH2-OE1 3.33Å; R512-E560 IonicContact NH2-OE2 2.99Å; R512-E560 PolarHBondContact NH2-OE2 2.95Å; I556-E560 HydrophobicContact CG2-CB 4.03Å; S557-E560 PolarHBondContact N-OE2 3.32Å; S557-E560 PolarHBondContact O-N 3.32Å; S557-E560 VanDerWaalsContact O-N 3.15Å
561S82.2Confident83.4Confident6 Ų661.4 Ų61.44%0.04235%0.354CS..  trans-140122.6176.2-175.90000110.5S557 S558 S563 S564S557-S561 PolarHBondContact O-N 3.48Å; S557-S561 VanDerWaalsContact O-N 3.15Å; S558-S561 WeakPolarHBondContact CA-O 3.45Å; S561-S563 PolarHBondContact O-N 2.88Å; S561-S564 WeakPolarHBondContact O-CB 3.41Å; S561-S564 PolarHBondContact O-N 2.86Å
562S79.5Confident83.4Confident116 Ų11660.8 Ų60.881%0.81136%0.361SS*.THydrogen-bonded Turntrans-59.2-20.4177.154.60000113.5S564S562-S564 VanDerWaalsContact C-N 3.34Å
563S80.9Confident83.4Confident55 Ų5557.8 Ų57.839%0.38535%0.345SS..THydrogen-bonded Turntrans-83.8-5.1178.4-57.10000113.6S519 S561S519-S563 WeakPolarHBondContact O-CB 3.07Å; S519-S563 PolarHBondContact O-OG 2.81Å; S561-S563 PolarHBondContact O-N 2.88Å
564S82.7Confident83.1Confident11 Ų1159 Ų598%0.07735%0.35CS..  trans-79.5135-178.9-1700000111.7N525 I556 S561 S562 L566N525-S564 PolarHBondContact ND2-OG 2.81Å; I556-S564 PolarHBondContact O-OG 2.84Å; S561-S564 WeakPolarHBondContact O-CB 3.41Å; S561-S564 PolarHBondContact O-N 2.86Å; S562-S564 VanDerWaalsContact C-N 3.34Å; S564-L566 VanDerWaalsContact C-N 3.35Å; S564-L566 PolarHBondContact OG-N 2.88Å
565K81.3Confident82.8Confident181 Ų18159 Ų5979%0.78735%0.345SS*.  trans-80-16.2175.8-62.9-177.8-178.7-179.20113.5
566L83.1Confident82.4Confident37 Ų3765.4 Ų65.419%0.19437%0.372CS..  trans-89.7126-175.4-68.9171.8000110.5N525 P555 S558 S564 E570N525-L566 HydrophobicContact CB-CD1 4.36Å; P555-L566 HydrophobicContact CB-CD1 3.91Å; S558-L566 PolarHBondContact N-O 2.97Å; S564-L566 VanDerWaalsContact C-N 3.35Å; S564-L566 PolarHBondContact OG-N 2.88Å; L566-E570 HydrophobicContact CD2-CB 4.07Å
567S85.5Confident81.7Confident44 Ų4472.1 Ų72.131%0.30840%0.403SS..  trans-67.9161.6168.865.30000111.3Q569 E570 A571S567-Q569 PolarHBondContact O-N 2.82Å; S567-E570 WeakPolarHBondContact CB-OE2 3.29Å; S567-E570 PolarHBondContact N-OE2 3.02Å; S567-E570 PolarHBondContact O-N 3.04Å; S567-E570 VanDerWaalsContact OG-CD 3.28Å; S567-E570 VanDerWaalsContact OG-CG 3.25Å; S567-E570 WeakPolarHBondContact OG-CG 3.49Å; S567-E570 PolarHBondContact OG-N 2.82Å; S567-E570 PolarHBondContact OG-OE2 3.49Å; S567-A571 WeakPolarHBondContact O-CB 3.3Å; S567-A571 PolarHBondContact O-N 2.98Å
568C81.2Confident80.9Confident69 Ų6971.8 Ų71.847%0.46640%0.401SS..Hα-helixtrans-58.8-30177.1-580000113A572C568-A572 PolarHBondContact O-N 3.37Å
569Q81.8Confident80.1Confident157 Ų15775.7 Ų75.773%0.73442%0.418SS*.Hα-helixtrans-75.8-47178.2-69.2-179.9-6.800111.5S567 A571 A572 D573S567-Q569 PolarHBondContact O-N 2.82Å; Q569-A571 PolarHBondContact O-N 3.49Å; Q569-A572 PolarHBondContact O-N 3.18Å; Q569-D573 WeakPolarHBondContact O-CB 3.44Å; Q569-D573 PolarHBondContact O-N 3.33Å
570E82.8Confident79Confident103 Ų10372.9 Ų72.948%0.48139%0.394SS..Hα-helixtrans-62-35.3176.1-69164.2144.500111.9L566 S567 D573 F574L566-E570 HydrophobicContact CD2-CB 4.07Å; S567-E570 WeakPolarHBondContact CB-OE2 3.29Å; S567-E570 PolarHBondContact N-OE2 3.02Å; S567-E570 PolarHBondContact O-N 3.04Å; S567-E570 VanDerWaalsContact OG-CD 3.28Å; S567-E570 VanDerWaalsContact OG-CG 3.25Å; S567-E570 WeakPolarHBondContact OG-CG 3.49Å; S567-E570 PolarHBondContact OG-N 2.82Å; S567-E570 PolarHBondContact OG-OE2 3.49Å; E570-D573 PolarHBondContact O-N 3.33Å; E570-F574 PolarHBondContact O-N 3.12Å
571A80.1Confident77.7Confident16 Ų1673.2 Ų73.213%0.13240%0.402CS..Hα-helixtrans-63.6-41.7175.400000112.4P555 S567 Q569 D573P555-A571 HydrophobicContact CG-CB 3.89Å; P555-A571 VanDerWaalsContact CG-O 3.26Å; P555-A571 WeakPolarHBondContact CG-O 3.4Å; S567-A571 WeakPolarHBondContact O-CB 3.3Å; S567-A571 PolarHBondContact O-N 2.98Å; Q569-A571 PolarHBondContact O-N 3.49Å; A571-D573 VanDerWaalsContact C-N 3.32Å
572A80.8Confident76Confident74 Ų7482.4 Ų82.461%0.61244%0.441SS*.Hα-helixtrans-69.2-31.9176.100000112.4C568 Q569C568-A572 PolarHBondContact O-N 3.37Å; Q569-A572 PolarHBondContact O-N 3.18Å
573D82.2Confident74.1Confident74 Ų7479.6 Ų79.640%0.39643%0.425SS..Hα-helixtrans-87.6-10.2-175.7-72.211.8000113.1Q569 E570 A571 F575 K576Q569-D573 WeakPolarHBondContact O-CB 3.44Å; Q569-D573 PolarHBondContact O-N 3.33Å; E570-D573 PolarHBondContact O-N 3.33Å; A571-D573 VanDerWaalsContact C-N 3.32Å; D573-F575 VanDerWaalsContact C-N 3.31Å; D573-F575 PolarHBondContact O-N 2.96Å; D573-K576 HydrophobicContact CB-CD 3.96Å; D573-K576 WeakPolarHBondContact O-CB 3.5Å; D573-K576 PolarHBondContact O-N 3.38Å; D573-K576 WeakPolarHBondContact OD1-CE 3.48Å; D573-K576 IonicContact OD1-NZ 2.89Å; D573-K576 PolarHBondContact OD1-NZ 3.37Å; D573-K576 IonicContact OD2-NZ 3.06Å; D573-K576 PolarHBondContact OD2-NZ 3.48Å
574F81.1Confident72.4Confident39 Ų3978.6 Ų78.617%0.17142%0.417CS..THydrogen-bonded Turntrans-54.2-42.6-170.9-168.9-97000114L528 K532 P555 E570L528-F574 HydrophobicContact CB-CE1 4.11Å; K532-F574 HydrophobicContact CB-CE1 4.06Å; K532-F574 HydrophobicContact CD-CD1 4.2Å; K532-F574 HydrophobicContact CD-CE1 3.85Å; K532-F574 HydrophobicContact CD-CZ 4.13Å; K532-F574 WeakPolarHBondContact CD-O 3.15Å; K532-F574 VanDerWaalsContact CE-O 3.32Å; K532-F574 WeakPolarHBondContact CE-O 3.35Å; K532-F574 PolarHBondContact NZ-O 3.25Å; P555-F574 HydrophobicContact CG-CB 3.87Å; P555-F574 HydrophobicContact CG-CD1 4.46Å; P555-F574 HydrophobicContact CG-CG 4.09Å; E570-F574 PolarHBondContact O-N 3.12Å
575F81Confident70.5Confident13 Ų1381.8 Ų81.86%0.05744%0.436CS..THydrogen-bonded Turntrans-98.65-179.5-70.1-67.1000114.1L528 K532 V545 L549 D573 E577 V578L528-F575 HydrophobicContact CB-CZ 4.28Å; L528-F575 HydrophobicContact CD1-CE2 4.4Å; L528-F575 HydrophobicContact CD2-CZ 4.24Å; K532-F575 HydrophobicContact CB-CD1 4.48Å; K532-F575 HydrophobicContact CB-CE1 4.02Å; V545-F575 HydrophobicContact CG1-CB 4.25Å; V545-F575 HydrophobicContact CG1-CD1 3.4Å; V545-F575 HydrophobicContact CG1-CD2 4.44Å; V545-F575 HydrophobicContact CG1-CE1 3.73Å; V545-F575 HydrophobicContact CG1-CG 3.8Å; V545-F575 HydrophobicContact CG1-CZ 4.36Å; V545-F575 HydrophobicContact CG2-CD1 4.39Å; V545-F575 HydrophobicContact CG2-CE1 4.11Å; L549-F575 HydrophobicContact CD1-CB 4.15Å; L549-F575 HydrophobicContact CD1-CD2 4.43Å; L549-F575 HydrophobicContact CD1-CG 4.43Å; L549-F575 HydrophobicContact CD2-CD2 3.8Å; L549-F575 HydrophobicContact CD2-CE2 4.34Å; L549-F575 HydrophobicContact CG-CD2 4.35Å; D573-F575 VanDerWaalsContact C-N 3.31Å; D573-F575 PolarHBondContact O-N 2.96Å; F575-E577 PolarHBondContact O-N 3.03Å; F575-V578 HydrophobicContact CD1-CG2 4.29Å; F575-V578 PolarHBondContact O-N 3.08Å
576K78.6Confident68.6Low145 Ų14581.7 Ų81.763%0.6344%0.436SS*.THydrogen-bonded Turntrans-60.3-30.5-179.1-80.4-179.1175.2172.10114.1D573 V578D573-K576 HydrophobicContact CB-CD 3.96Å; D573-K576 WeakPolarHBondContact O-CB 3.5Å; D573-K576 PolarHBondContact O-N 3.38Å; D573-K576 WeakPolarHBondContact OD1-CE 3.48Å; D573-K576 IonicContact OD1-NZ 2.89Å; D573-K576 PolarHBondContact OD1-NZ 3.37Å; D573-K576 IonicContact OD2-NZ 3.06Å; D573-K576 PolarHBondContact OD2-NZ 3.48Å; K576-V578 VanDerWaalsContact C-N 3.29Å
577E74.2Confident66.8Low140 Ų14083.6 Ų83.665%0.65445%0.452SS*.THydrogen-bonded Turntrans-72.7-24.6177.4-67.4173164.100112.6K532 F575K532-E577 WeakPolarHBondContact CE-OE2 3.39Å; K532-E577 IonicContact NZ-OE2 2.65Å; K532-E577 PolarHBondContact NZ-OE2 3.5Å; F575-E577 PolarHBondContact O-N 3.03Å
578V71.3Confident64.7Low7 Ų789.8 Ų89.84%0.04248%0.476CS..SBendtrans-85.4118.5173.1-173.50000105.3K532 A535 L536 I542 V545 F575 K576 A580K532-V578 HydrophobicContact CG-CG2 4.06Å; A535-V578 HydrophobicContact CB-CG1 4.29Å; L536-V578 HydrophobicContact CD2-CG2 4.05Å; L536-V578 HydrophobicContact CG-CG2 4.18Å; I542-V578 HydrophobicContact CG1-CG1 4.1Å; I542-V578 HydrophobicContact CG2-CG1 4.07Å; V545-V578 HydrophobicContact CG1-CG1 4.38Å; V545-V578 HydrophobicContact CG2-CG1 4.47Å; F575-V578 HydrophobicContact CD1-CG2 4.29Å; F575-V578 PolarHBondContact O-N 3.08Å; K576-V578 VanDerWaalsContact C-N 3.29Å; V578-A580 HydrophobicContact CG1-CB 4.09Å; V578-A580 PolarHBondContact O-N 3.37Å
579D66.4Low62.6Low139 Ų13992.8 Ų92.874%0.74348%0.483SS*.  trans-72.945.5178.5-151.34.6000111.3T581D579-T581 PolarHBondContact O-N 2.81Å
580A60.5Low60.6Low19 Ų1990.3 Ų90.316%0.15748%0.475CS..  trans-70.283.3171.900000107.1I542 V545 S546 L549 V578I542-A580 HydrophobicContact CG2-CB 4.03Å; V545-A580 HydrophobicContact CB-CB 4.36Å; V545-A580 HydrophobicContact CG1-CB 3.9Å; S546-A580 WeakPolarHBondContact OG-CB 2.97Å; L549-A580 HydrophobicContact CD1-CB 4.33Å; V578-A580 HydrophobicContact CG1-CB 4.09Å; V578-A580 PolarHBondContact O-N 3.37Å
581T54.2Low58.7Low92 Ų9287.7 Ų87.756%0.56447%0.468SS*.  trans-51.614616261.70000108.2S546 D579 A583S546-T581 PolarHBondContact OG-O 3.25Å; S546-T581 VanDerWaalsContact OG-O 3.14Å; D579-T581 PolarHBondContact O-N 2.81Å; T581-A583 PolarHBondContact O-N 3.36Å
582K47.5Very low56.5Low200 Ų20089.9 Ų89.987%0.8749%0.486SS*.SBendtrans-63.426.7178-93.2-173.9173.3-174.60114.4
583A39Very low54.3Low56 Ų5692.7 Ų92.746%0.46349%0.489SS..  trans-118.8127.4169.800000108S546 T581S546-A583 WeakPolarHBondContact CB-O 3.39Å; S546-A583 PolarHBondContact OG-O 3.35Å; T581-A583 PolarHBondContact O-N 3.36Å
584P45.6Very low52Low34 Ų3493.5 Ų93.522%0.22150%0.501CS..SBend-101.3138.256.534.2-34.1000111.6V543V543-P584 HydrophobicContact CG1-CG 4.31Å
585V43.1Very low49.9Very low78 Ų7895.1 Ų95.147%0.47351%0.514SS..  trans-20.4127.9172-166.70000113.5S587 Q589V585-S587 PolarHBondContact O-N 3.25Å; V585-Q589 HydrophobicContact CB-CB 4.42Å; V585-Q589 HydrophobicContact CG1-CB 3.69Å; V585-Q589 HydrophobicContact CG1-CG 4.23Å
586K39.8Very low47.7Very low179 Ų179100.9 Ų100.978%0.77855%0.545SS*.  trans-31.7126.5167.9-78.8-176.4173.7-176.20109.6E588K586-E588 PolarHBondContact O-N 3.49Å
587S45.8Very low45.4Very low78 Ų78100.4 Ų100.455%0.54555%0.549SS..THydrogen-bonded Turntrans-15.9-2.9176.447.10000122.2V585V585-S587 PolarHBondContact O-N 3.25Å
588E41Very low43.6Very low173 Ų17399.7 Ų99.781%0.80855%0.548SS*.THydrogen-bonded Turntrans-107.9-5.7-179-63.6-173.3161.500115.4K586K586-E588 PolarHBondContact O-N 3.49Å
589Q38.1Very low41.9Very low132 Ų132105 Ų10562%0.61758%0.576SS**  trans-126.328.5-175.5-63.2-170.3-20.800116.7V585 S591V585-Q589 HydrophobicContact CB-CB 4.42Å; V585-Q589 HydrophobicContact CG1-CB 3.69Å; V585-Q589 HydrophobicContact CG1-CG 4.23Å; Q589-S591 PolarHBondContact O-N 2.73Å
590L39.6Very low40.5Very low105 Ų105106.4 Ų106.455%0.5558%0.579SS.*THydrogen-bonded Turntrans-67.413.9177.5-81.2162.1000115.6
591S42Very low39Very low48 Ų48113.2 Ų113.234%0.33661%0.612SS.*THydrogen-bonded Turntrans-88.2-6.2-179.366.90000115.5E275 Q589 I593E275-S591 VanDerWaalsContact CG-OG 3.25Å; E275-S591 WeakPolarHBondContact CG-OG 3.33Å; E275-S591 PolarHBondContact OE1-OG 3.21Å; Q589-S591 PolarHBondContact O-N 2.73Å; S591-I593 VanDerWaalsContact C-N 3.29Å; S591-I593 PolarHBondContact O-N 2.78Å
592A34.9Very low37.8Very low63 Ų63119.8 Ų119.852%0.52164%0.636SS.*G310 helixtrans-70-17.3-168.200000115.5S594 T595A592-S594 PolarHBondContact O-N 2.9Å; A592-T595 PolarHBondContact O-N 3.32Å; A592-T595 PolarHBondContact O-OG1 3.22Å
593I33.9Very low37.4Very low132 Ų132115.8 Ų115.868%0.67762%0.624SS**G310 helixtrans-72.4-13.4-173.1-57.8177.4000112.8I498 S591I498-I593 HydrophobicContact CD1-CD1 3.94Å; S591-I593 VanDerWaalsContact C-N 3.29Å; S591-I593 PolarHBondContact O-N 2.78Å
594S35.2Very low37.3Very low91 Ų91118.9 Ų118.964%0.63663%0.633SS**G310 helixtrans-91.7-1-179.1-158.20000115.2A592 N596A592-S594 PolarHBondContact O-N 2.9Å; S594-N596 VanDerWaalsContact C-N 3.34Å; S594-N596 PolarHBondContact O-N 2.81Å
595T35.6Very low36.8Very low73 Ų73123.7 Ų123.745%0.44866%0.656SS.*G310 helixtrans-75.4-14-171.849.40000115.4A592 L597A592-T595 PolarHBondContact O-N 3.32Å; A592-T595 PolarHBondContact O-OG1 3.22Å; T595-L597 VanDerWaalsContact C-N 3.31Å; T595-L597 PolarHBondContact O-N 2.64Å
596N34.6Very low36.5Very low134 Ų134126.4 Ų126.472%0.71767%0.666SS**G310 helixtrans-73.7-13.9-177.7-76.8-18.4000115.1S594S594-N596 VanDerWaalsContact C-N 3.34Å; S594-N596 PolarHBondContact O-N 2.81Å
597L31.9Very low36.2Very low136 Ų136123.1 Ų123.171%0.71266%0.659SS**G310 helixtrans-87.4-15.3179.6-94.6126.7000114.6T595T595-L597 VanDerWaalsContact C-N 3.31Å; T595-L597 PolarHBondContact O-N 2.64Å
598I35.3Very low35.6Very low124 Ų124126.1 Ų126.164%0.63667%0.667SS**THydrogen-bonded Turntrans-86.2-26.6-178.9-65.4174.8000111.5E600 L601I598-E600 VanDerWaalsContact C-N 3.29Å; I598-E600 PolarHBondContact O-N 3.2Å; I598-L601 PolarHBondContact O-N 3.29Å
599N36.7Very low35.2Very low118 Ų118122.7 Ų122.763%0.63166%0.657SS**THydrogen-bonded Turntrans-79.4-4.5-179.4-71.6-7.5000114.5
600E35.4Very low35Very low169 Ų169122 Ų12279%0.7966%0.66SS**THydrogen-bonded Turntrans-92.81.2172.3-76.8-170.1162.900113.5I598I598-E600 VanDerWaalsContact C-N 3.29Å; I598-E600 PolarHBondContact O-N 3.2Å
601L29.1Very low34.6Very low163 Ų163123.4 Ų123.485%0.85367%0.669SS**  trans-115.65.2178.1-84.9164.8000114.8I598I598-L601 PolarHBondContact O-N 3.29Å
602E30.9Very low33.9Very low230 Ų230130.3 Ų130.3100%1.07570%0.7SS**  trans-93.40160-73.4-170.4161.900110.1

Retrieved 602 of 602 residues in 213.7 ms (Link to these results)

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