A0A087YHV2_POEFO Loading...

Interleukin 1 receptor type 2

AlphaFold DB , UniProt , Accession A0A087YHV2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 419 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
1M50.8Low49.2Very low201 Ų201119.9 Ų119.999%0.9961%0.609SS**  0-48.90-84.2-171.176.700113.1Y3 F4 T5M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.43Å; M1-F4 PolarHBondContact O-N 2.92Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.82Å
2V47.3Very low49.2Very low108 Ų108119.2 Ų119.266%0.65561%0.606SS**Hα-helixtrans-59.9-36.2-177.6-175.80000114T5 L6V2-T5 VanDerWaalsContact C-OG1 3.32Å; V2-T5 WeakPolarHBondContact CA-OG1 3.28Å; V2-T5 PolarHBondContact O-OG1 2.83Å; V2-L6 HydrophobicContact CG1-CD1 4.13Å; V2-L6 PolarHBondContact O-N 2.82Å
3Y43Very low48.8Very low188 Ų188112.8 Ų112.874%0.73758%0.582SS**Hα-helixtrans-71.3-32.2178.8-137-92.9000112.9M1 M7M1-Y3 VanDerWaalsContact C-N 3.32Å; M1-Y3 PolarHBondContact O-N 3.43Å; Y3-M7 HydrophobicContact CD1-CG 4.41Å; Y3-M7 HydrophobicContact CE1-CE 4.22Å; Y3-M7 WeakPolarHBondContact O-CB 3.38Å; Y3-M7 VanDerWaalsContact O-CG 3.26Å; Y3-M7 WeakPolarHBondContact O-CG 3.42Å; Y3-M7 PolarHBondContact O-N 3.3Å
4F47.9Very low48.5Very low159 Ų159112 Ų11270%0.69759%0.585SS**Hα-helixtrans-75.3-38.2178.4-160.2-94.1000110.8M1 M7 C8M1-F4 PolarHBondContact O-N 2.92Å; M1-F4 VanDerWaalsContact O-N 3.16Å; F4-M7 PolarHBondContact O-N 3.08Å; F4-C8 WeakPolarHBondContact O-CB 3.44Å; F4-C8 PolarHBondContact O-N 3.36Å; F4-C8 PolarHBondContact O-SG 2.93Å
5T51.1Low48.2Very low75 Ų75108.6 Ų108.646%0.4659%0.588SS.*Hα-helixtrans-66.3-39.2172.849.70000112M1 V2 C8 V9M1-T5 PolarHBondContact O-N 3.34Å; M1-T5 VanDerWaalsContact O-N 3.13Å; M1-T5 PolarHBondContact O-OG1 2.82Å; V2-T5 VanDerWaalsContact C-OG1 3.32Å; V2-T5 WeakPolarHBondContact CA-OG1 3.28Å; V2-T5 PolarHBondContact O-OG1 2.83Å; T5-C8 PolarHBondContact O-N 3.05Å; T5-V9 WeakPolarHBondContact O-CB 3.13Å; T5-V9 VanDerWaalsContact O-CG2 3.22Å; T5-V9 WeakPolarHBondContact O-CG2 3.03Å; T5-V9 PolarHBondContact O-N 3.11Å
6L49.3Very low48Very low107 Ų107107.6 Ų107.656%0.5659%0.587SS**Hα-helixtrans-66.3-41.1174.7-112.3111.1000112.3V2 V9 M10V2-L6 HydrophobicContact CG1-CD1 4.13Å; V2-L6 PolarHBondContact O-N 2.82Å; L6-V9 PolarHBondContact O-N 3.36Å; L6-M10 WeakPolarHBondContact O-CB 3.49Å; L6-M10 VanDerWaalsContact O-CG 3.29Å; L6-M10 WeakPolarHBondContact O-CG 3.22Å; L6-M10 PolarHBondContact O-N 2.94Å
7M49.5Very low47.7Very low104 Ų104111.3 Ų111.351%0.51260%0.598SS.*Hα-helixtrans-65.2-41.5175.8-75.8-67.2-152.200112Y3 F4 M10 I11Y3-M7 HydrophobicContact CD1-CG 4.41Å; Y3-M7 HydrophobicContact CE1-CE 4.22Å; Y3-M7 WeakPolarHBondContact O-CB 3.38Å; Y3-M7 VanDerWaalsContact O-CG 3.26Å; Y3-M7 WeakPolarHBondContact O-CG 3.42Å; Y3-M7 PolarHBondContact O-N 3.3Å; F4-M7 PolarHBondContact O-N 3.08Å; M7-M10 PolarHBondContact O-N 3.32Å; M7-I11 WeakPolarHBondContact O-CB 3.43Å; M7-I11 WeakPolarHBondContact O-CD1 3.46Å; M7-I11 WeakPolarHBondContact O-CG1 3.45Å; M7-I11 PolarHBondContact O-N 3.25Å
8C51.5Low47.6Very low54 Ų54108.6 Ų108.637%0.36560%0.601SS.*Hα-helixtrans-63.3-41.6173.4-750000112.2F4 T5 I11 I12F4-C8 WeakPolarHBondContact O-CB 3.44Å; F4-C8 PolarHBondContact O-N 3.36Å; F4-C8 PolarHBondContact O-SG 2.93Å; T5-C8 PolarHBondContact O-N 3.05Å; C8-I11 PolarHBondContact O-N 3.49Å; C8-I12 WeakPolarHBondContact O-CB 3.43Å; C8-I12 WeakPolarHBondContact O-CD1 3.49Å; C8-I12 WeakPolarHBondContact O-CG1 3.43Å; C8-I12 PolarHBondContact O-N 2.84Å
9V52.8Low47.5Very low97 Ų97110.8 Ų110.859%0.58860%0.604SS**Hα-helixtrans-65.1-38.9176.2170.80000111.3T5 L6 I12 A13T5-V9 WeakPolarHBondContact O-CB 3.13Å; T5-V9 VanDerWaalsContact O-CG2 3.22Å; T5-V9 WeakPolarHBondContact O-CG2 3.03Å; T5-V9 PolarHBondContact O-N 3.11Å; L6-V9 PolarHBondContact O-N 3.36Å; V9-I12 PolarHBondContact O-N 2.87Å; V9-A13 WeakPolarHBondContact O-CB 3.33Å; V9-A13 PolarHBondContact O-N 2.94Å
10M46.2Very low47.4Very low111 Ų111111.1 Ų111.155%0.54760%0.596SS.*Hα-helixtrans-69.9-36.8176.1-73.2-66.2-69.500112.7L6 M7 A13 T14L6-M10 WeakPolarHBondContact O-CB 3.49Å; L6-M10 VanDerWaalsContact O-CG 3.29Å; L6-M10 WeakPolarHBondContact O-CG 3.22Å; L6-M10 PolarHBondContact O-N 2.94Å; M7-M10 PolarHBondContact O-N 3.32Å; M10-A13 PolarHBondContact O-N 3.04Å; M10-T14 WeakPolarHBondContact O-CB 3.14Å; M10-T14 WeakPolarHBondContact O-CG2 3.32Å; M10-T14 PolarHBondContact O-N 3.34Å; M10-T14 PolarHBondContact O-OG1 2.71Å
11I51.7Low47.5Very low115 Ų115114.6 Ų114.659%0.5960%0.601SS**Hα-helixtrans-69.6-37.3175.1-68.3164.6000111.1M7 C8 T14 G15M7-I11 WeakPolarHBondContact O-CB 3.43Å; M7-I11 WeakPolarHBondContact O-CD1 3.46Å; M7-I11 WeakPolarHBondContact O-CG1 3.45Å; M7-I11 PolarHBondContact O-N 3.25Å; C8-I11 PolarHBondContact O-N 3.49Å; I11-T14 PolarHBondContact O-OG1 3.45Å; I11-G15 PolarHBondContact O-N 3.26Å
12I49.8Very low47.8Very low111 Ų111106.8 Ų106.857%0.56956%0.563SS**Hα-helixtrans-67.7-43.5172.3-65.6164.1000109.7C8 V9 G15 V16C8-I12 WeakPolarHBondContact O-CB 3.43Å; C8-I12 WeakPolarHBondContact O-CD1 3.49Å; C8-I12 WeakPolarHBondContact O-CG1 3.43Å; C8-I12 PolarHBondContact O-N 2.84Å; V9-I12 PolarHBondContact O-N 2.87Å; I12-G15 PolarHBondContact O-N 3.45Å; I12-V16 HydrophobicContact CG2-CG2 4.13Å; I12-V16 VanDerWaalsContact O-CB 3.29Å; I12-V16 WeakPolarHBondContact O-CB 3.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.3Å
13A43Very low48.5Very low36 Ų36103.8 Ų103.830%0.29855%0.546SS..Hα-helixtrans-63.8-43.717800000112.1V9 M10 V16 H17V9-A13 WeakPolarHBondContact O-CB 3.33Å; V9-A13 PolarHBondContact O-N 2.94Å; M10-A13 PolarHBondContact O-N 3.04Å; A13-V16 PolarHBondContact O-N 3.42Å; A13-H17 PolarHBondContact O-N 3.12Å; A13-H17 PolarHBondContact O-ND1 3.38Å
14T44.5Very low49.6Very low102 Ų102100.2 Ų100.263%0.62655%0.548SS*.Hα-helixtrans-74.3-26.3178.255.50000113.2M10 I11M10-T14 WeakPolarHBondContact O-CB 3.14Å; M10-T14 WeakPolarHBondContact O-CG2 3.32Å; M10-T14 PolarHBondContact O-N 3.34Å; M10-T14 PolarHBondContact O-OG1 2.71Å; I11-T14 PolarHBondContact O-OG1 3.45Å
15G44.5Very low51Low61 Ų6193.7 Ų93.763%0.62952%0.52SS*.Hα-helixtrans-75.3-25.1171.500000114.6I11 I12I11-G15 PolarHBondContact O-N 3.26Å; I12-G15 PolarHBondContact O-N 3.45Å
16V44.9Very low52.6Low93 Ų9393.9 Ų93.956%0.56452%0.523SS*.Hα-helixtrans-88.1-17.7-176.5171.30000113.1I12 A13 G18I12-V16 HydrophobicContact CG2-CG2 4.13Å; I12-V16 VanDerWaalsContact O-CB 3.29Å; I12-V16 WeakPolarHBondContact O-CB 3.49Å; I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.3Å; A13-V16 PolarHBondContact O-N 3.42Å; V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.32Å
17H43.7Very low54.2Low170 Ų17093 Ų9379%0.78752%0.522SS*.THydrogen-bonded Turntrans-86.413.3-178.1-76.372.7000115A13A13-H17 PolarHBondContact O-N 3.12Å; A13-H17 PolarHBondContact O-ND1 3.38Å
18G44.8Very low55.7Low63 Ų6392.6 Ų92.665%0.64952%0.519SS*.SBendtrans-111.5-29.6-172.700000117.7V16V16-G18 VanDerWaalsContact C-N 3.31Å; V16-G18 PolarHBondContact O-N 3.32Å
19K46.9Very low57Low151 Ų15197.5 Ų97.566%0.65754%0.541SS*.  trans-147.4106.7-179.9-80.8-176.5175.1-177.20109.1W21 D63K19-W21 PolarHBondContact O-N 3.34Å; K19-D63 IonicContact NZ-OD2 2.98Å; K19-D63 PolarHBondContact NZ-OD2 2.84Å
20R44.5Very low58.3Low116 Ų11696 Ų9644%0.43855%0.545SS..PPolyproline II helixtrans-55.2127.6168.2-85.4-176.1-176.7-168.77.6108.7L22 H275 E342R20-L22 PolarHBondContact O-N 3.39Å; R20-H275 HydrophobicContact CB-CB 4.09Å; R20-H275 VanDerWaalsContact CD-CG 3.46Å; R20-H275 HydrophobicContact CG-CB 4.42Å; R20-E342 IonicContact CZ-OE1 3.97Å; R20-E342 IonicContact NE-OE1 2.87Å; R20-E342 PolarHBondContact NE-OE1 2.67Å; R20-E342 IonicContact NH1-OE1 2.65Å; R20-E342 PolarHBondContact NH1-OE1 2.05Å; R20-E342 IonicContact NH2-OE1 3.99Å; R20-E342 PolarHBondContact NH2-OE1 2.86Å; R20-E342 IonicContact NH2-OE2 3.09Å; R20-E342 PolarHBondContact NH2-OE2 3.35Å
21W49.5Very low60.2Low184 Ų18491.8 Ų91.870%0.69753%0.527SS*.PPolyproline II helixtrans-65.5122-177.5-104.246.1000110.8K19 W375K19-W21 PolarHBondContact O-N 3.34Å; W21-W375 HydrophobicContact CE3-CZ2 4.2Å; W21-W375 HydrophobicContact CH2-CH2 4.43Å; W21-W375 HydrophobicContact CH2-CZ2 4.1Å; W21-W375 AromaticContact CZ3-CZ2 3.83Å; W21-W375 HydrophobicContact CZ3-CZ2 3.83Å
22L57Low61.8Low37 Ų3791.4 Ų91.419%0.19452%0.519CS..PPolyproline II helixtrans-77.2134.7173-71.6154.4000109.3R20 L61 R62 G276R20-L22 PolarHBondContact O-N 3.39Å; L22-L61 HydrophobicContact CD1-CB 4.14Å; L22-L61 VanDerWaalsContact CD1-O 3.29Å; L22-L61 WeakPolarHBondContact CD1-O 3.39Å; L22-R62 HydrophobicContact CD1-CB 4.39Å; L22-R62 HydrophobicContact CD1-CG 3.56Å; L22-G276 WeakPolarHBondContact CD2-O 3.19Å
23P61.8Low63.7Low46 Ų4688.6 Ų88.630%0.29950%0.503SS..PPolyproline II helixtrans-58.9152.9178.317.9-25.6000111.5L25 R62P23-L25 PolarHBondContact O-N 3.01Å; P23-R62 PolarHBondContact O-NH1 2.91Å; P23-R62 PolarHBondContact O-NH2 2.8Å
24S66.1Low65.8Low112 Ų11287 Ų8778%0.78349%0.489SS*.PPolyproline II helixtrans-64.1135.7-178.653.40000111.4
25L78.9Confident67.8Low22 Ų2285 Ų8512%0.11548%0.48CS..PPolyproline II helixtrans-69.5143.4172-68173.4000110.1P23 Y32 T58 V121P23-L25 PolarHBondContact O-N 3.01Å; L25-Y32 HydrophobicContact CB-CD1 3.85Å; L25-Y32 HydrophobicContact CB-CG 4.23Å; L25-T58 HydrophobicContact CD1-CG2 3.76Å; L25-T58 HydrophobicContact CD2-CG2 4.01Å; L25-T58 HydrophobicContact CG-CG2 4.46Å; L25-V121 HydrophobicContact CD1-CG1 4.11Å
26P83.4Confident69.9Low80 Ų8085.3 Ų85.352%0.51947%0.471SS..PPolyproline II helixtrans-58.7145.7170.524.3-31000110Y32 Q33P26-Y32 CarbonylContact O-C 3.57Å; P26-Y32 WeakPolarHBondContact O-CA 3.32Å; P26-Q33 WeakPolarHBondContact CD-O 3.4Å; P26-Q33 HydrophobicContact CG-CB 4.27Å; P26-Q33 PolarHBondContact O-N 2.85Å
27V84.1Confident72Confident89 Ų8981.2 Ų81.254%0.53945%0.446SS..EExtended strand (participates in β ladder)trans-111124.4-179.7-179.30000109.1C31 Y32V27-C31 WeakPolarHBondContact CA-O 3.32Å; V27-Y32 HydrophobicContact CG2-CD1 3.51Å; V27-Y32 HydrophobicContact CG2-CE1 3.52Å; V27-Y32 HydrophobicContact CG2-CG 4.42Å
28E80.9Confident74Confident94 Ų9475.4 Ų75.444%0.43942%0.422SS..EExtended strand (participates in β ladder)trans-127.9128.1176-167.6-179.2-174.900108.5G30 C31 Q33E28-G30 PolarHBondContact O-N 2.74Å; E28-G30 VanDerWaalsContact O-N 3.09Å; E28-C31 PolarHBondContact N-O 2.87Å; E28-C31 PolarHBondContact O-N 3.1Å; E28-C31 VanDerWaalsContact O-O 3.12Å; E28-Q33 PolarHBondContact OE2-NE2 3.1Å; E28-Q33 PolarHBondContact OE2-OE1 3.37Å
29N78.5Confident76.2Confident157 Ų15775.5 Ų75.584%0.8441%0.408SS*.THydrogen-bonded Turntrans51.732.9-178.1-58.9-43.7000114.6C31N29-C31 VanDerWaalsContact C-N 3.29Å; N29-C31 PolarHBondContact O-N 3.18Å
30G79.3Confident78.3Confident65 Ų6569.7 Ų69.767%0.6738%0.383SS*.THydrogen-bonded Turntrans78.56.618000000115.1E28E28-G30 PolarHBondContact O-N 2.74Å; E28-G30 VanDerWaalsContact O-N 3.09Å
31C85.3Confident80.6Confident23 Ų2366.6 Ų66.616%0.15537%0.373CS..EExtended strand (participates in β ladder)trans-114.3141.5173.3-65.80000110.6V27 E28 N29 C120 T122V27-C31 WeakPolarHBondContact CA-O 3.32Å; E28-C31 PolarHBondContact N-O 2.87Å; E28-C31 PolarHBondContact O-N 3.1Å; E28-C31 VanDerWaalsContact O-O 3.12Å; N29-C31 VanDerWaalsContact C-N 3.29Å; N29-C31 PolarHBondContact O-N 3.18Å; C31-C120 HydrophobicContact CB-CB 3.74Å; C31-C120 WeakPolarHBondContact CB-SG 3.29Å; C31-C120 WeakPolarHBondContact SG-CB 3.17Å; C31-C120 CovalentContact SG-SG 2.03Å; C31-C120 PolarHBondContact SG-SG 2.89Å; C31-T122 HydrophobicContact CB-CG2 3.96Å
32Y87.3Confident82.7Confident108 Ų10859.3 Ų59.342%0.42435%0.346SS..EExtended strand (participates in β ladder)trans-69.8137.7171.6-66.6-72.9000110.1L25 P26 V27 C120 V121 T122L25-Y32 HydrophobicContact CB-CD1 3.85Å; L25-Y32 HydrophobicContact CB-CG 4.23Å; P26-Y32 CarbonylContact O-C 3.57Å; P26-Y32 WeakPolarHBondContact O-CA 3.32Å; V27-Y32 HydrophobicContact CG2-CD1 3.51Å; V27-Y32 HydrophobicContact CG2-CE1 3.52Å; V27-Y32 HydrophobicContact CG2-CG 4.42Å; Y32-C120 WeakPolarHBondContact CD2-O 3.49Å; Y32-C120 PolarHBondContact N-O 3.1Å; Y32-V121 CarbonylContact O-C 3.47Å; Y32-V121 WeakPolarHBondContact O-CA 2.95Å; Y32-T122 PolarHBondContact O-N 2.94Å; Y32-T122 PolarHBondContact O-OG1 3.01Å
33Q89.3Confident84.5Confident51 Ų5158.5 Ų58.524%0.23834%0.342CS..EExtended strand (participates in β ladder)trans-109.7118.9-177.1-171.1173.442.600110.1P26 E28 T122P26-Q33 WeakPolarHBondContact CD-O 3.4Å; P26-Q33 HydrophobicContact CG-CB 4.27Å; P26-Q33 PolarHBondContact O-N 2.85Å; E28-Q33 PolarHBondContact OE2-NE2 3.1Å; E28-Q33 PolarHBondContact OE2-OE1 3.37Å; Q33-T122 WeakPolarHBondContact CA-O 3.3Å
34A87.5Confident86.2Confident2 Ų260.2 Ų60.22%0.01735%0.346CS..PPolyproline II helixtrans-72.8155.1166.800000109.6F55 T58 T122A34-F55 HydrophobicContact CB-CB 4.45Å; A34-F55 HydrophobicContact CB-CD2 3.97Å; A34-T58 HydrophobicContact CB-CG2 4.19Å; A34-T122 PolarHBondContact N-O 3.36Å
35S85.4Confident87.5Confident60 Ų6056.7 Ų56.742%0.4233%0.327SS..PPolyproline II helixtrans-54.7141.3173.2-57.90000110.6
36P88.5Confident88.3Confident68 Ų6856.1 Ų56.144%0.44232%0.324SS..PPolyproline II helixtrans-63.7146.318027.1-34.2000111.1S124P36-S124 WeakPolarHBondContact CA-O 3.25Å
37E89.9Confident88.8Confident8 Ų852.3 Ų52.34%0.03730%0.299CS..PPolyproline II helixtrans-68.3159.1171-55.9-62.816800110.6F52 P53 I54 F55 S124 I125E37-F52 HydrophobicContact CG-CB 4.15Å; E37-F52 HydrophobicContact CG-CD1 3.88Å; E37-F52 HydrophobicContact CG-CG 4.34Å; E37-F52 WeakPolarHBondContact OE1-CA 3.39Å; E37-F52 WeakPolarHBondContact OE1-CB 3.39Å; E37-P53 WeakPolarHBondContact OE2-CD 3.38Å; E37-P53 WeakPolarHBondContact OE2-CG 3.49Å; E37-I54 WeakPolarHBondContact OE1-CA 3.32Å; E37-I54 WeakPolarHBondContact OE1-CB 3.31Å; E37-I54 PolarHBondContact OE1-N 2.91Å; E37-I54 WeakPolarHBondContact OE2-CB 3.42Å; E37-I54 VanDerWaalsContact OE2-CG1 3.23Å; E37-I54 WeakPolarHBondContact OE2-CG1 3.33Å; E37-I54 PolarHBondContact OE2-N 2.82Å; E37-I54 VanDerWaalsContact OE2-N 3.1Å; E37-F55 PolarHBondContact OE1-N 3.12Å; E37-S124 PolarHBondContact N-O 2.76Å; E37-I125 HydrophobicContact CB-CB 3.76Å; E37-I125 HydrophobicContact CB-CD1 3.74Å; E37-I125 HydrophobicContact CB-CG1 3.65Å; E37-I125 HydrophobicContact CG-CB 4.01Å; E37-I125 HydrophobicContact CG-CD1 4.17Å; E37-I125 HydrophobicContact CG-CG1 4.31Å
38V85.8Confident89.4Confident48 Ų4848.1 Ų48.129%0.29127%0.274SS..PPolyproline II helixtrans-67.9136.2172.7-178.60000109.7L316V38-L316 HydrophobicContact CG2-CB 3.91Å; V38-L316 HydrophobicContact CG2-CD1 3.61Å; V38-L316 HydrophobicContact CG2-CG 4.37Å
39D90.3Very high90Very high65 Ų6544.7 Ų44.735%0.34826%0.258SS..PPolyproline II helixtrans-57.2139.6178.5-66.5-13.6000111.8F41 T126 H128D39-F41 HydrophobicContact CB-CE2 3.96Å; D39-F41 HydrophobicContact CB-CZ 3.79Å; D39-F41 WeakPolarHBondContact O-CE2 3.16Å; D39-T126 WeakPolarHBondContact CA-O 3.4Å; D39-T126 WeakPolarHBondContact OD1-CB 3.47Å; D39-T126 PolarHBondContact OD1-OG1 2.96Å; D39-H128 IonicContact OD2-NE2 3.65Å
40I90.9Very high90.7Very high28 Ų2837.2 Ų37.214%0.14422%0.218CC..EExtended strand (participates in β ladder)trans-108.3128.6-178.4-66.4-175.4000109.4R42 L50 I125 T126 L127 H128I40-R42 HydrophobicContact CG2-CG 3.77Å; I40-R42 VanDerWaalsContact CG2-CZ 3.47Å; I40-L50 HydrophobicContact CD1-CD2 4.08Å; I40-I125 HydrophobicContact CD1-CD1 3.39Å; I40-I125 HydrophobicContact CD1-CG1 4.31Å; I40-I125 HydrophobicContact CG1-CD1 3.87Å; I40-I125 HydrophobicContact CG1-CG1 4.35Å; I40-T126 PolarHBondContact N-O 2.93Å; I40-L127 HydrophobicContact CB-CD1 4.28Å; I40-L127 HydrophobicContact CG2-CD1 3.88Å; I40-L127 CarbonylContact O-C 3.58Å; I40-L127 WeakPolarHBondContact O-CA 3.48Å; I40-H128 PolarHBondContact O-N 3.04Å
41F92.7Very high91.3Very high52 Ų5236.1 Ų36.123%0.22820%0.196CC..EExtended strand (participates in β ladder)trans-113.4123.8178.4-51.5-87.4000110.2D39 H128 Y130 A139 L140D39-F41 HydrophobicContact CB-CE2 3.96Å; D39-F41 HydrophobicContact CB-CZ 3.79Å; D39-F41 WeakPolarHBondContact O-CE2 3.16Å; F41-H128 CarbonylContact C-O 3.53Å; F41-H128 WeakPolarHBondContact CA-O 3.32Å; F41-H128 HydrophobicContact CD1-CB 3.63Å; F41-H128 AromaticContact CD1-CD2 3.86Å; F41-H128 AromaticContact CD1-CG 3.9Å; F41-H128 HydrophobicContact CE1-CB 4.09Å; F41-H128 AromaticContact CE1-CD2 3.48Å; F41-H128 VanDerWaalsContact CE1-CD2 3.48Å; F41-H128 WeakPolarHBondContact CE1-CD2 3.36Å; F41-H128 AromaticContact CE1-CG 3.83Å; F41-Y130 HydrophobicContact CB-CE2 4.42Å; F41-Y130 AromaticContact CD1-CE2 3.99Å; F41-Y130 HydrophobicContact CD1-CE2 3.99Å; F41-A139 WeakPolarHBondContact CB-O 3.39Å; F41-A139 HydrophobicContact CD1-CB 3.82Å; F41-A139 WeakPolarHBondContact CD2-O 3.42Å; F41-A139 HydrophobicContact CE1-CB 4.13Å; F41-A139 HydrophobicContact CG-CB 4.06Å; F41-A139 WeakPolarHBondContact CG-O 3.22Å; F41-L140 HydrophobicContact CB-CD2 3.88Å
42R94.7Very high91.6Very high31 Ų3135 Ų3512%0.11719%0.188CC..EExtended strand (participates in β ladder)trans-138.4167.8-176.5-62.1-66.5178.1-100.72.2110.6I40 V48 L127 H128 V129 Y130I40-R42 HydrophobicContact CG2-CG 3.77Å; I40-R42 VanDerWaalsContact CG2-CZ 3.47Å; R42-V48 HydrophobicContact CB-CG2 3.8Å; R42-V48 HydrophobicContact CG-CG1 4.16Å; R42-V48 HydrophobicContact CG-CG2 3.66Å; R42-L127 HydrophobicContact CB-CD1 4.39Å; R42-L127 HydrophobicContact CG-CD1 4.12Å; R42-H128 PolarHBondContact N-O 2.96Å; R42-V129 CarbonylContact O-C 3.59Å; R42-V129 WeakPolarHBondContact O-CA 3.35Å; R42-Y130 PolarHBondContact O-N 2.87Å
43V94.6Very high91.7Very high19 Ų1932.8 Ų32.812%0.11519%0.187CC..EExtended strand (participates in β ladder)trans-107.1152.2174.8-61.70000110.8E46 Y130 L140V43-E46 HydrophobicContact CG2-CG 3.68Å; V43-E46 WeakPolarHBondContact CG2-OE1 3.41Å; V43-Y130 CarbonylContact C-O 3.52Å; V43-Y130 VanDerWaalsContact CA-O 3.29Å; V43-Y130 WeakPolarHBondContact CA-O 3.14Å; V43-L140 HydrophobicContact CG1-CD1 3.83Å; V43-L140 HydrophobicContact CG1-CD2 4.08Å
44E96.2Very high91.6Very high83 Ų8330.6 Ų30.639%0.38818%0.177SC..THydrogen-bonded Turntrans-60.5143.1178.1178.8164.1-118.200111.5E46 R103 L104 V129 Y130E44-E46 VanDerWaalsContact C-N 3.34Å; E44-R103 WeakPolarHBondContact OE1-CA 3.39Å; E44-L104 HydrophobicContact CB-CD2 4.4Å; E44-L104 HydrophobicContact CB-CG 4.48Å; E44-L104 PolarHBondContact OE1-N 2.94Å; E44-V129 HydrophobicContact CB-CG1 4.11Å; E44-Y130 PolarHBondContact N-O 2.83Å
45G94.6Very high91.7Very high37 Ų3730.5 Ų30.538%0.38118%0.176SC..THydrogen-bonded Turntrans88.1-5.7179.100000114.9P101 A102G45-P101 WeakPolarHBondContact O-CB 3.37Å; G45-A102 PolarHBondContact N-O 2.79Å
46E94.7Very high91.8Very high10 Ų1028.9 Ų28.95%0.04716%0.162CC..BIsolated β-bridgetrans-85.2156174.9-70.7-169.2172.800113.8V43 E44 P101 A102 K214 S216 R217V43-E46 HydrophobicContact CG2-CG 3.68Å; V43-E46 WeakPolarHBondContact CG2-OE1 3.41Å; E44-E46 VanDerWaalsContact C-N 3.34Å; E46-P101 CarbonylContact O-C 3.55Å; E46-P101 WeakPolarHBondContact O-CA 3.26Å; E46-A102 PolarHBondContact O-N 2.81Å; E46-K214 CarbonylContact C-O 3.6Å; E46-K214 WeakPolarHBondContact CA-O 3.3Å; E46-K214 WeakPolarHBondContact CB-O 3.39Å; E46-S216 VanDerWaalsContact CD-N 3.31Å; E46-S216 WeakPolarHBondContact OE1-CA 3.14Å; E46-S216 WeakPolarHBondContact OE1-CB 3.47Å; E46-S216 PolarHBondContact OE1-N 3.22Å; E46-S216 PolarHBondContact OE1-OG 3.08Å; E46-S216 PolarHBondContact OE2-N 2.63Å; E46-R217 IonicContact OE2-NH1 3.29Å; E46-R217 PolarHBondContact OE2-NH1 2.81Å
47A94.8Very high91.5Very high0 Ų029.1 Ų29.10%015%0.154CC..  trans-72.5124.916200000110.1L100 F162 V206 I208 Y213 K214 V215A47-L100 HydrophobicContact CB-CD2 3.61Å; A47-F162 HydrophobicContact CB-CE1 4.05Å; A47-F162 HydrophobicContact CB-CZ 4.34Å; A47-V206 HydrophobicContact CB-CG2 4.3Å; A47-I208 HydrophobicContact CB-CD1 4.25Å; A47-Y213 HydrophobicContact CB-CG 4.11Å; A47-K214 PolarHBondContact N-O 3.02Å; A47-V215 HydrophobicContact CB-CG2 4.14Å
48V95.3Very high91.2Very high1 Ų129.7 Ų29.71%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-123.5130176.3179.20000108.9R42 L50 L99 A102 L127R42-V48 HydrophobicContact CB-CG2 3.8Å; R42-V48 HydrophobicContact CG-CG1 4.16Å; R42-V48 HydrophobicContact CG-CG2 3.66Å; V48-L50 HydrophobicContact CG1-CD2 3.96Å; V48-L99 HydrophobicContact CB-CB 4.22Å; V48-L99 HydrophobicContact CB-CD1 4.37Å; V48-L99 HydrophobicContact CG1-CD1 4.33Å; V48-L99 PolarHBondContact N-O 3.33Å; V48-L99 PolarHBondContact O-N 2.8Å; V48-A102 HydrophobicContact CB-CB 4.2Å; V48-A102 HydrophobicContact CG2-CB 3.64Å; V48-L127 HydrophobicContact CG1-CD1 4.11Å; V48-L127 HydrophobicContact CG1-CD2 4.44Å
49I94Very high91Very high22 Ų2227.5 Ų27.511%0.11315%0.145CC..EExtended strand (participates in β ladder)trans-117.3114.1172.7-58173.6000106.4E96 L97 W98 R161 F162I49-E96 HydrophobicContact CG2-CB 4.14Å; I49-E96 HydrophobicContact CG2-CG 4.5Å; I49-L97 CarbonylContact C-O 3.56Å; I49-L97 WeakPolarHBondContact CA-O 3.34Å; I49-W98 HydrophobicContact CD1-CD2 3.87Å; I49-W98 HydrophobicContact CD1-CE3 3.77Å; I49-W98 HydrophobicContact CD1-CH2 3.92Å; I49-W98 HydrophobicContact CD1-CZ2 3.98Å; I49-W98 HydrophobicContact CD1-CZ3 3.81Å; I49-W98 HydrophobicContact CG1-CD2 3.88Å; I49-W98 HydrophobicContact CG1-CE3 4.05Å; I49-W98 HydrophobicContact CG1-CG 4.14Å; I49-W98 HydrophobicContact CG2-CD2 4.48Å; I49-W98 HydrophobicContact CG2-CG 4.39Å; I49-R161 HydrophobicContact CD1-CB 4.11Å; I49-F162 HydrophobicContact CD1-CD1 4.1Å; I49-F162 HydrophobicContact CD1-CE1 3.62Å; I49-F162 HydrophobicContact CD1-CZ 4.09Å; I49-F162 HydrophobicContact CG1-CE1 4.07Å; I49-F162 HydrophobicContact CG1-CZ 4.21Å
50L94.1Very high90.6Very high0 Ų031.2 Ų31.20%016%0.16CC..EExtended strand (participates in β ladder)trans-83.1126.4171.8-57.1-177.2000108.5I40 V48 E96 L97 L99 Y110 I125 L127I40-L50 HydrophobicContact CD1-CD2 4.08Å; V48-L50 HydrophobicContact CG1-CD2 3.96Å; L50-E96 VanDerWaalsContact O-CA 3.31Å; L50-E96 WeakPolarHBondContact O-CA 3.36Å; L50-L97 HydrophobicContact CB-CB 4.22Å; L50-L97 HydrophobicContact CD1-CD2 4.26Å; L50-L97 PolarHBondContact N-O 2.86Å; L50-L97 PolarHBondContact O-N 2.65Å; L50-L99 HydrophobicContact CD1-CD1 4.47Å; L50-Y110 HydrophobicContact CD1-CD1 4.03Å; L50-Y110 HydrophobicContact CD1-CD2 3.56Å; L50-Y110 HydrophobicContact CD1-CE1 4.25Å; L50-Y110 HydrophobicContact CD1-CE2 3.83Å; L50-Y110 HydrophobicContact CD1-CG 3.67Å; L50-I125 HydrophobicContact CD1-CG2 4.37Å; L50-L127 HydrophobicContact CD1-CB 4.49Å; L50-L127 HydrophobicContact CD1-CD2 4.41Å; L50-L127 HydrophobicContact CD2-CB 4.23Å; L50-L127 HydrophobicContact CD2-CD1 4.2Å; L50-L127 HydrophobicContact CD2-CD2 4.27Å; L50-L127 HydrophobicContact CD2-CG 4.46Å
51H91.9Very high89.8Confident43 Ų4333.8 Ų33.820%0.19917%0.174CC..  trans-134.2146.1178173.863.3000108.1P53 E96 R161H51-P53 VanDerWaalsContact C-CD 3.44Å; H51-P53 WeakPolarHBondContact O-CD 3.21Å; H51-E96 IonicContact ND1-OE1 3.92Å; H51-R161 PolarHBondContact CE1-NH2 2.93Å; H51-R161 PolarHBondContact NE2-NH2 3.06Å
52F92.2Very high89Confident0 Ų034.2 Ų34.20%017%0.174CC..  trans-115.774.5-172.3-60.1-108.1000110.5E37 F55 M56 I73 C112 I125E37-F52 HydrophobicContact CG-CB 4.15Å; E37-F52 HydrophobicContact CG-CD1 3.88Å; E37-F52 HydrophobicContact CG-CG 4.34Å; E37-F52 WeakPolarHBondContact OE1-CA 3.39Å; E37-F52 WeakPolarHBondContact OE1-CB 3.39Å; F52-F55 HydrophobicContact CB-CB 3.71Å; F52-F55 HydrophobicContact CB-CD1 4.01Å; F52-F55 HydrophobicContact CB-CG 4.28Å; F52-F55 PolarHBondContact O-N 3.42Å; F52-M56 WeakPolarHBondContact O-CB 3.39Å; F52-M56 WeakPolarHBondContact O-CG 3.2Å; F52-M56 PolarHBondContact O-N 3.13Å; F52-I73 HydrophobicContact CE2-CD1 4Å; F52-I73 HydrophobicContact CE2-CG1 4.41Å; F52-I73 HydrophobicContact CZ-CG2 4.46Å; F52-C112 HydrophobicContact CD1-CB 3.82Å; F52-C112 HydrophobicContact CD2-CB 3.77Å; F52-C112 HydrophobicContact CE1-CB 3.71Å; F52-C112 HydrophobicContact CE2-CB 3.71Å; F52-C112 HydrophobicContact CG-CB 3.85Å; F52-C112 HydrophobicContact CZ-CB 3.66Å; F52-I125 HydrophobicContact CD1-CB 4.13Å; F52-I125 HydrophobicContact CD1-CG2 4.06Å; F52-I125 HydrophobicContact CE1-CB 3.76Å; F52-I125 HydrophobicContact CE1-CG2 3.31Å; F52-I125 HydrophobicContact CE2-CG2 4.11Å; F52-I125 HydrophobicContact CZ-CB 4.27Å; F52-I125 HydrophobicContact CZ-CG2 3.33Å
53P89.2Confident87.8Confident61 Ų6138 Ų3840%0.39620%0.196SC..Hα-helixtrans-66.3-40-173.826.1-34.6000113.8E37 H51 F55 M56 R57E37-P53 WeakPolarHBondContact OE2-CD 3.38Å; E37-P53 WeakPolarHBondContact OE2-CG 3.49Å; H51-P53 VanDerWaalsContact C-CD 3.44Å; H51-P53 WeakPolarHBondContact O-CD 3.21Å; P53-F55 VanDerWaalsContact C-N 3.33Å; P53-M56 PolarHBondContact O-N 3.15Å; P53-R57 VanDerWaalsContact O-CB 3.28Å; P53-R57 WeakPolarHBondContact O-CB 3.28Å; P53-R57 PolarHBondContact O-N 3.25Å
54I86.8Confident86.7Confident5 Ų538.8 Ų38.83%0.02620%0.2CC..Hα-helixtrans-64.5-43.5177.8-62.6176.7000109.8E37 T58 L316 I336E37-I54 WeakPolarHBondContact OE1-CA 3.32Å; E37-I54 WeakPolarHBondContact OE1-CB 3.31Å; E37-I54 PolarHBondContact OE1-N 2.91Å; E37-I54 WeakPolarHBondContact OE2-CB 3.42Å; E37-I54 VanDerWaalsContact OE2-CG1 3.23Å; E37-I54 WeakPolarHBondContact OE2-CG1 3.33Å; E37-I54 PolarHBondContact OE2-N 2.82Å; E37-I54 VanDerWaalsContact OE2-N 3.1Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 2.75Å; I54-T58 PolarHBondContact O-OG1 2.87Å; I54-L316 HydrophobicContact CD1-CD1 4.41Å; I54-I336 HydrophobicContact CD1-CG2 4.49Å
55F89.2Confident85.1Confident0 Ų037.2 Ų37.20%020%0.201CC..Hα-helixtrans-61.5-51.5175.6171.9-110.9000112.6A34 E37 F52 P53 R57 T58 L59 Y71 C112 V121 G123A34-F55 HydrophobicContact CB-CB 4.45Å; A34-F55 HydrophobicContact CB-CD2 3.97Å; E37-F55 PolarHBondContact OE1-N 3.12Å; F52-F55 HydrophobicContact CB-CB 3.71Å; F52-F55 HydrophobicContact CB-CD1 4.01Å; F52-F55 HydrophobicContact CB-CG 4.28Å; F52-F55 PolarHBondContact O-N 3.42Å; P53-F55 VanDerWaalsContact C-N 3.33Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å; F55-T58 WeakPolarHBondContact O-CA 3.48Å; F55-T58 VanDerWaalsContact O-CB 3.27Å; F55-T58 WeakPolarHBondContact O-CB 3.35Å; F55-T58 PolarHBondContact O-N 2.9Å; F55-L59 HydrophobicContact CD1-CD1 4.33Å; F55-L59 HydrophobicContact CE1-CD1 3.76Å; F55-L59 HydrophobicContact CE2-CD1 4.28Å; F55-L59 HydrophobicContact CE2-CD2 4.39Å; F55-L59 HydrophobicContact CE2-CG 4.38Å; F55-L59 HydrophobicContact CZ-CD1 3.76Å; F55-L59 HydrophobicContact CZ-CG 4.34Å; F55-L59 PolarHBondContact O-N 3.16Å; F55-L59 VanDerWaalsContact O-N 3.09Å; F55-Y71 HydrophobicContact CE1-CD1 4.09Å; F55-Y71 AromaticContact CE1-CE1 3.95Å; F55-Y71 HydrophobicContact CE1-CE1 3.95Å; F55-C112 HydrophobicContact CD1-CB 4.38Å; F55-C112 HydrophobicContact CE1-CB 4.17Å; F55-V121 HydrophobicContact CD2-CG1 4.41Å; F55-V121 HydrophobicContact CE2-CB 4.15Å; F55-V121 HydrophobicContact CE2-CG1 3.9Å; F55-V121 WeakPolarHBondContact CE2-O 3.47Å; F55-G123 VanDerWaalsContact CD2-N 3.27Å
56M87.2Confident83.2Confident26 Ų2638.3 Ų38.313%0.12820%0.201CC..Hα-helixtrans-59.8-44.2-179.3-70.8-64.617500111.3F52 P53 T58 L59 E60 Y71F52-M56 WeakPolarHBondContact O-CB 3.39Å; F52-M56 WeakPolarHBondContact O-CG 3.2Å; F52-M56 PolarHBondContact O-N 3.13Å; P53-M56 PolarHBondContact O-N 3.15Å; M56-T58 VanDerWaalsContact C-N 3.26Å; M56-T58 PolarHBondContact O-N 3.01Å; M56-L59 WeakPolarHBondContact O-CB 3.34Å; M56-L59 PolarHBondContact O-N 2.8Å; M56-L59 VanDerWaalsContact O-N 3.1Å; M56-L59 HydrophobicContact SD-CD1 4.41Å; M56-E60 WeakPolarHBondContact O-CG 3.22Å; M56-E60 PolarHBondContact O-N 2.86Å; M56-Y71 HydrophobicContact CE-CD1 3.75Å; M56-Y71 HydrophobicContact CE-CE1 3.34Å; M56-Y71 HydrophobicContact CE-CG 4.49Å; M56-Y71 HydrophobicContact SD-CE1 3.58Å; M56-Y71 VanDerWaalsContact SD-CE1 3.58Å; M56-Y71 PolarHBondContact SD-OH 2.83Å
57R82.8Confident81.4Confident72 Ų7243.9 Ų43.927%0.27224%0.238SC..Hα-helixtrans-62-35.7175.7-170.2173.3-170147.11.7112.5P53 F55 L59 E60 L61 R314P53-R57 VanDerWaalsContact O-CB 3.28Å; P53-R57 WeakPolarHBondContact O-CB 3.28Å; P53-R57 PolarHBondContact O-N 3.25Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å; R57-L59 VanDerWaalsContact C-N 3.32Å; R57-L59 PolarHBondContact O-N 3.17Å; R57-E60 PolarHBondContact O-N 2.87Å; R57-L61 HydrophobicContact CG-CD1 4.01Å; R57-L61 HydrophobicContact CG-CG 4.25Å; R57-L61 WeakPolarHBondContact O-CB 3.29Å; R57-L61 WeakPolarHBondContact O-CG 3.43Å; R57-L61 PolarHBondContact O-N 3.15Å; R57-R314 VanDerWaalsContact NH1-CB 3.29Å
58T82.8Confident79.8Confident20 Ų2048.7 Ų48.712%0.12327%0.27CS..Hα-helixtrans-62.6-40175-59.80000111.4L25 A34 I54 F55 M56 R62L25-T58 HydrophobicContact CD1-CG2 3.76Å; L25-T58 HydrophobicContact CD2-CG2 4.01Å; L25-T58 HydrophobicContact CG-CG2 4.46Å; A34-T58 HydrophobicContact CB-CG2 4.19Å; I54-T58 WeakPolarHBondContact O-CB 3.4Å; I54-T58 PolarHBondContact O-N 2.75Å; I54-T58 PolarHBondContact O-OG1 2.87Å; F55-T58 WeakPolarHBondContact O-CA 3.48Å; F55-T58 VanDerWaalsContact O-CB 3.27Å; F55-T58 WeakPolarHBondContact O-CB 3.35Å; F55-T58 PolarHBondContact O-N 2.9Å; M56-T58 VanDerWaalsContact C-N 3.26Å; M56-T58 PolarHBondContact O-N 3.01Å; T58-R62 WeakPolarHBondContact O-CB 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.23Å; T58-R62 PolarHBondContact O-N 2.67Å
59L82.4Confident78.5Confident2 Ų249.5 Ų49.51%0.0128%0.276CS..Hα-helixtrans-66.5-44.5175.5-61.7177.8000111.7F55 M56 R57 D63 I64 Y71 Y114 V121F55-L59 HydrophobicContact CD1-CD1 4.33Å; F55-L59 HydrophobicContact CE1-CD1 3.76Å; F55-L59 HydrophobicContact CE2-CD1 4.28Å; F55-L59 HydrophobicContact CE2-CD2 4.39Å; F55-L59 HydrophobicContact CE2-CG 4.38Å; F55-L59 HydrophobicContact CZ-CD1 3.76Å; F55-L59 HydrophobicContact CZ-CG 4.34Å; F55-L59 PolarHBondContact O-N 3.16Å; F55-L59 VanDerWaalsContact O-N 3.09Å; M56-L59 WeakPolarHBondContact O-CB 3.34Å; M56-L59 PolarHBondContact O-N 2.8Å; M56-L59 VanDerWaalsContact O-N 3.1Å; M56-L59 HydrophobicContact SD-CD1 4.41Å; R57-L59 VanDerWaalsContact C-N 3.32Å; R57-L59 PolarHBondContact O-N 3.17Å; L59-D63 PolarHBondContact O-N 2.87Å; L59-I64 HydrophobicContact CD2-CB 4.27Å; L59-I64 HydrophobicContact CD2-CG2 4.02Å; L59-I64 PolarHBondContact O-N 3.22Å; L59-Y71 HydrophobicContact CD1-CE1 3.83Å; L59-Y114 HydrophobicContact CD1-CD1 3.82Å; L59-Y114 HydrophobicContact CD1-CD2 4.29Å; L59-Y114 HydrophobicContact CD1-CE1 4.4Å; L59-Y114 HydrophobicContact CD1-CG 3.73Å; L59-Y114 HydrophobicContact CD2-CD1 3.82Å; L59-Y114 HydrophobicContact CD2-CG 4.37Å; L59-Y114 HydrophobicContact CG-CD1 4.45Å; L59-V121 HydrophobicContact CD2-CB 3.81Å; L59-V121 HydrophobicContact CD2-CG1 4.04Å; L59-V121 HydrophobicContact CD2-CG2 3.89Å
60E81.4Confident77.8Confident143 Ų14355.5 Ų55.567%0.66830%0.304SS*.Hα-helixtrans-62.2-52.3179.5-71.7173-178.500112.2M56 R57 R62 D63M56-E60 WeakPolarHBondContact O-CG 3.22Å; M56-E60 PolarHBondContact O-N 2.86Å; R57-E60 PolarHBondContact O-N 2.87Å; E60-R62 PolarHBondContact O-N 2.69Å; E60-D63 PolarHBondContact O-N 2.92Å; E60-D63 VanDerWaalsContact O-N 3.09Å
61L75.1Confident77.5Confident82 Ų8258.6 Ų58.643%0.42932%0.316SS..Hα-helixtrans-62.8-31.1-177.6-72.9175.1000112.7L22 R57 A339L22-L61 HydrophobicContact CD1-CB 4.14Å; L22-L61 VanDerWaalsContact CD1-O 3.29Å; L22-L61 WeakPolarHBondContact CD1-O 3.39Å; R57-L61 HydrophobicContact CG-CD1 4.01Å; R57-L61 HydrophobicContact CG-CG 4.25Å; R57-L61 WeakPolarHBondContact O-CB 3.29Å; R57-L61 WeakPolarHBondContact O-CG 3.43Å; R57-L61 PolarHBondContact O-N 3.15Å; L61-A339 HydrophobicContact CD1-CB 3.59Å
62R75.5Confident77.4Confident61 Ų6159 Ų5923%0.2332%0.321CS..THydrogen-bonded Turntrans-90.2-1.6179.7-66.1-179.9-175.6-87.2-3.5113.6L22 P23 T58 E60 I64L22-R62 HydrophobicContact CD1-CB 4.39Å; L22-R62 HydrophobicContact CD1-CG 3.56Å; P23-R62 PolarHBondContact O-NH1 2.91Å; P23-R62 PolarHBondContact O-NH2 2.8Å; T58-R62 WeakPolarHBondContact O-CB 3.43Å; T58-R62 WeakPolarHBondContact O-CG 3.23Å; T58-R62 PolarHBondContact O-N 2.67Å; E60-R62 PolarHBondContact O-N 2.69Å; R62-I64 HydrophobicContact CB-CB 4.43Å; R62-I64 HydrophobicContact CB-CD1 3.42Å; R62-I64 VanDerWaalsContact CB-CD1 3.42Å; R62-I64 HydrophobicContact CB-CG1 3.57Å; R62-I64 HydrophobicContact CG-CD1 4.16Å; R62-I64 PolarHBondContact O-N 2.88Å
63D70.2Confident77.3Confident111 Ų11159 Ų5959%0.59432%0.322SS*.THydrogen-bonded Turntrans58.429.3-176.9-146.73000111.7K19 L59 E60 A65K19-D63 IonicContact NZ-OD2 2.98Å; K19-D63 PolarHBondContact NZ-OD2 2.84Å; L59-D63 PolarHBondContact O-N 2.87Å; E60-D63 PolarHBondContact O-N 2.92Å; E60-D63 VanDerWaalsContact O-N 3.09Å; D63-A65 PolarHBondContact O-N 3.38Å
64I69.6Low77.2Confident36 Ų3657.6 Ų57.619%0.18531%0.313CS..  trans-84.33.5-176.5-65.5171.4000110.8L59 R62 P66 Y114 F119 V121L59-I64 HydrophobicContact CD2-CB 4.27Å; L59-I64 HydrophobicContact CD2-CG2 4.02Å; L59-I64 PolarHBondContact O-N 3.22Å; R62-I64 HydrophobicContact CB-CB 4.43Å; R62-I64 HydrophobicContact CB-CD1 3.42Å; R62-I64 VanDerWaalsContact CB-CD1 3.42Å; R62-I64 HydrophobicContact CB-CG1 3.57Å; R62-I64 HydrophobicContact CG-CD1 4.16Å; R62-I64 PolarHBondContact O-N 2.88Å; I64-P66 WeakPolarHBondContact O-CD 3.49Å; I64-Y114 VanDerWaalsContact O-CE1 3.25Å; I64-Y114 WeakPolarHBondContact O-CE1 3.46Å; I64-F119 HydrophobicContact CG2-CD2 3.63Å; I64-F119 HydrophobicContact CG2-CE2 3.9Å; I64-F119 HydrophobicContact CG2-CG 4.06Å; I64-F119 HydrophobicContact CG2-CZ 4.48Å; I64-F119 WeakPolarHBondContact O-CE2 3.37Å; I64-F119 WeakPolarHBondContact O-CZ 3.27Å; I64-V121 HydrophobicContact CD1-CG2 4.35Å; I64-V121 HydrophobicContact CG2-CG2 3.94Å
65A62.7Low77.2Confident49 Ų4960.3 Ų60.341%0.40532%0.323SS..  trans-100.747.5-178.900000115.9D63 Y114D63-A65 PolarHBondContact O-N 3.38Å; A65-Y114 WeakPolarHBondContact CA-OH 3.4Å
66P55.7Low76.2Confident61 Ų6165 Ų6540%0.39635%0.348SS..  trans-74.3140.5169.631.5-28.6000110.2I64 F119I64-P66 WeakPolarHBondContact O-CD 3.49Å; P66-F119 HydrophobicContact CG-CE1 4.03Å; P66-F119 HydrophobicContact CG-CZ 4.19Å
67P56.7Low74.7Confident126 Ų12671.1 Ų71.182%0.81838%0.381SS*.THydrogen-bonded Turntrans-59.1134.7170.720.4-26.7000109.8
68P61.4Low73Confident102 Ų10269.9 Ų69.966%0.66239%0.391SS*.THydrogen-bonded Turncis-123.233.229.442.4-30000115.9
69A68.5Low70.9Confident18 Ų1876.5 Ų76.515%0.14943%0.431CS..  trans-65.2145.4-174.500000114.3Y114 N116 F119A69-Y114 HydrophobicContact CB-CD1 4.34Å; A69-Y114 HydrophobicContact CB-CD2 4.28Å; A69-Y114 HydrophobicContact CB-CE1 3.66Å; A69-Y114 HydrophobicContact CB-CE2 3.61Å; A69-Y114 WeakPolarHBondContact CB-OH 3.48Å; A69-Y114 WeakPolarHBondContact O-CE2 3.47Å; A69-N116 HydrophobicContact CB-CB 3.91Å; A69-F119 HydrophobicContact CB-CE2 3.84Å; A69-F119 HydrophobicContact CB-CZ 3.78Å
70Q79.4Confident69.2Low148 Ų14883 Ų8369%0.69246%0.462SS*.EExtended strand (participates in β ladder)trans-109.7145.2-173.2-66-178.41.600111.8R115Q70-R115 PolarHBondContact N-O 2.79Å; Q70-R115 PolarHBondContact O-N 3.31Å
71Y87.4Confident67.7Low64 Ų6484.2 Ų84.225%0.25147%0.467SS..EExtended strand (participates in β ladder)trans-86.8132.5169.8-63.4-79.6000109.7F55 M56 L59 Q92 G94 T113 Y114F55-Y71 HydrophobicContact CE1-CD1 4.09Å; F55-Y71 AromaticContact CE1-CE1 3.95Å; F55-Y71 HydrophobicContact CE1-CE1 3.95Å; M56-Y71 HydrophobicContact CE-CD1 3.75Å; M56-Y71 HydrophobicContact CE-CE1 3.34Å; M56-Y71 HydrophobicContact CE-CG 4.49Å; M56-Y71 HydrophobicContact SD-CE1 3.58Å; M56-Y71 VanDerWaalsContact SD-CE1 3.58Å; M56-Y71 PolarHBondContact SD-OH 2.83Å; L59-Y71 HydrophobicContact CD1-CE1 3.83Å; Y71-Q92 PolarHBondContact O-NE2 2.49Å; Y71-G94 WeakPolarHBondContact CB-O 3.3Å; Y71-T113 CarbonylContact C-O 3.51Å; Y71-T113 WeakPolarHBondContact CA-O 3.08Å; Y71-Y114 AromaticContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CE2 4.42Å; Y71-Y114 HydrophobicContact CD1-CG 4.31Å; Y71-Y114 HydrophobicContact CD2-CD2 4.22Å; Y71-Y114 HydrophobicContact CD2-CE2 4.35Å; Y71-Y114 AromaticContact CE1-CD2 3.32Å; Y71-Y114 HydrophobicContact CE1-CD2 3.32Å; Y71-Y114 AromaticContact CE1-CE2 3.93Å; Y71-Y114 HydrophobicContact CE1-CE2 3.93Å; Y71-Y114 AromaticContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE2-CD2 4.01Å; Y71-Y114 AromaticContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CG-CD2 4.03Å; Y71-Y114 AromaticContact CZ-CD2 3.56Å; Y71-Y114 AromaticContact CZ-CE2 3.63Å
72V89.1Confident66.5Low51 Ų5183.7 Ų83.731%0.30947%0.467SS..EExtended strand (participates in β ladder)trans-130.2116.5174.3-1790000108.4T113V72-T113 PolarHBondContact N-O 3.4Å; V72-T113 PolarHBondContact O-N 2.78Å
73I90.3Very high65.4Low2 Ų284.7 Ų84.71%0.0149%0.489CS..EExtended strand (participates in β ladder)trans-98125.3177-58.6174.3000108.4F52 Y84 Q92 L97 Y110 T111 C112F52-I73 HydrophobicContact CE2-CD1 4Å; F52-I73 HydrophobicContact CE2-CG1 4.41Å; F52-I73 HydrophobicContact CZ-CG2 4.46Å; I73-Y84 WeakPolarHBondContact O-CE2 3.4Å; I73-Q92 HydrophobicContact CD1-CG 4.17Å; I73-Q92 HydrophobicContact CG1-CG 4.48Å; I73-L97 HydrophobicContact CD1-CB 3.83Å; I73-L97 HydrophobicContact CG2-CB 4.29Å; I73-L97 HydrophobicContact CG2-CD2 4.12Å; I73-Y110 HydrophobicContact CG2-CD1 4.3Å; I73-T111 WeakPolarHBondContact CA-O 3.05Å; I73-C112 HydrophobicContact CG1-CB 4.07Å
74S87.4Confident65.2Low31 Ų3181.9 Ų81.922%0.21747%0.471CS..EExtended strand (participates in β ladder)trans-124.6158.6178.8620000110.8Y110 T111S74-Y110 CarbonylContact O-C 3.53Å; S74-Y110 WeakPolarHBondContact O-CA 3.42Å; S74-T111 PolarHBondContact N-O 2.84Å; S74-T111 PolarHBondContact O-N 3.28Å; S74-T111 PolarHBondContact OG-O 2.82Å
75R87.1Confident64.8Low62 Ų6287.2 Ų87.223%0.23450%0.495CS..EExtended strand (participates in β ladder)trans-116.1131.3177-173.6179177.8-165.4-2.8109.3N77 G78 S105 S107 Y110R75-N77 PolarHBondContact O-N 3.47Å; R75-G78 PolarHBondContact O-N 3.29Å; R75-S105 PolarHBondContact NH1-O 2.82Å; R75-S105 PolarHBondContact NH2-O 2.86Å; R75-S107 PolarHBondContact NH2-O 3.35Å; R75-Y110 HydrophobicContact CB-CD1 4.2Å; R75-Y110 HydrophobicContact CB-CE1 4.15Å; R75-Y110 HydrophobicContact CG-CD1 4.42Å; R75-Y110 HydrophobicContact CG-CE1 4.2Å
76N68.2Low64.8Low98 Ų9890 Ų9052%0.52450%0.503SS..THydrogen-bonded Turntrans-60.2-12-172-83.717000115.9K109 T111N76-K109 PolarHBondContact N-O 3.5Å; N76-K109 WeakPolarHBondContact ND2-CE 3.44Å; N76-T111 PolarHBondContact OD1-OG1 2.95Å
77N55Low65.3Low155 Ų15595.5 Ų95.583%0.82952%0.52SS*.THydrogen-bonded Turntrans-102.15.9-177.4-109.814.1000114.8R75R75-N77 PolarHBondContact O-N 3.47Å
78G46.5Very low66.5Low46 Ų4691.9 Ų91.947%0.47451%0.506SS..  trans-119.2122.4175.100000111R75 E80R75-G78 PolarHBondContact O-N 3.29Å; G78-E80 PolarHBondContact O-N 2.8Å
79T39.4Very low67.9Low158 Ų15889.7 Ų89.797%0.96948%0.484SS*.SBendtrans-65.48.6165.323.40000113.7
80E45.7Very low69Low140 Ų14090 Ų9065%0.65449%0.485SS*.  trans-114.2115.1175.1-70.8-175.1161.500109.3G78 T82G78-E80 PolarHBondContact O-N 2.8Å; E80-T82 HydrophobicContact CB-CG2 4.35Å; E80-T82 PolarHBondContact O-N 2.83Å; E80-T82 PolarHBondContact O-OG1 2.78Å
81Q49.9Very low69.6Low168 Ų16883.6 Ų83.679%0.78546%0.455SS*.  trans-63.972.7152.8-81.9171.5-51.500107.8A83Q81-A83 PolarHBondContact O-N 2.91Å
82T50.2Low69.7Low70 Ų7081.7 Ų81.743%0.42945%0.448SS..  trans-75.4106.5171.311.90000106.6E80 Y84E80-T82 HydrophobicContact CB-CG2 4.35Å; E80-T82 PolarHBondContact O-N 2.83Å; E80-T82 PolarHBondContact O-OG1 2.78Å; T82-Y84 PolarHBondContact O-N 3.32Å
83A53.8Low69.6Low83 Ų8382.6 Ų82.669%0.68645%0.449SS*.  trans-57.3108.8161.100000106.5Q81 E85Q81-A83 PolarHBondContact O-N 2.91Å; A83-E85 PolarHBondContact O-N 2.92Å; A83-E85 VanDerWaalsContact O-N 3.08Å
84Y66.1Low69.5Low52 Ų5284.7 Ų84.720%0.20447%0.471CS..  trans-66.2112.5178.5-62.1-76.7000107.7I73 T82 V90 L97I73-Y84 WeakPolarHBondContact O-CE2 3.4Å; T82-Y84 PolarHBondContact O-N 3.32Å; Y84-V90 HydrophobicContact CD1-CB 3.92Å; Y84-V90 HydrophobicContact CD1-CG1 3.36Å; Y84-V90 HydrophobicContact CE1-CB 4.27Å; Y84-V90 HydrophobicContact CE1-CG1 3.56Å; Y84-V90 HydrophobicContact CG-CG1 3.88Å; Y84-L97 HydrophobicContact CD2-CD1 3.45Å; Y84-L97 VanDerWaalsContact CD2-CD1 3.45Å; Y84-L97 HydrophobicContact CE2-CD1 3.82Å; Y84-L97 HydrophobicContact CE2-CD2 4.38Å; Y84-L97 HydrophobicContact CG-CD1 3.89Å
85E61.1Low69.5Low147 Ų14783.6 Ų83.669%0.68746%0.464SS*.  trans-59.3151.3176.7-66.3-175.7168.700110.7A83 K87A83-E85 PolarHBondContact O-N 2.92Å; A83-E85 VanDerWaalsContact O-N 3.08Å; E85-K87 PolarHBondContact O-N 3.47Å
86D62.7Low69.7Low108 Ų10881.8 Ų81.858%0.57846%0.459SS*.SBendtrans-63.65.3173.4-72.7-20.8000113.6H93D86-H93 IonicContact OD1-CE1 3.79Å
87K64.6Low70.9Confident176 Ų17677.1 Ų77.177%0.76543%0.434SS*.SBendtrans-128.6129.8-177.2-67-178-178.7175.20109.9E85E85-K87 PolarHBondContact O-N 3.47Å
88G83.4Confident72.8Confident50 Ų5072 Ų7252%0.51540%0.403SS..SBendtrans124.9-166.5176.700000112.8Q91G88-Q91 WeakPolarHBondContact O-CG 3.4Å; G88-Q91 PolarHBondContact O-NE2 3.48Å
89R90.5Very high75.1Confident56 Ų5669.8 Ų69.821%0.21138%0.38CS..SBendtrans-74.8-35.2-179.5-173.8-173.16783-3.3112.5L100 P101 D106R89-L100 WeakPolarHBondContact CG-O 3.42Å; R89-L100 PolarHBondContact O-N 3.12Å; R89-P101 WeakPolarHBondContact CD-O 3.28Å; R89-P101 PolarHBondContact NH1-O 2.77Å; R89-D106 IonicContact CZ-OD1 3.18Å; R89-D106 IonicContact CZ-OD2 3.7Å; R89-D106 IonicContact NH1-OD1 2.76Å; R89-D106 PolarHBondContact NH1-OD1 2.83Å; R89-D106 IonicContact NH1-OD2 2.74Å; R89-D106 PolarHBondContact NH1-OD2 3.01Å; R89-D106 IonicContact NH2-OD1 3.2Å; R89-D106 PolarHBondContact NH2-OD1 2.86Å; R89-D106 IonicContact NH2-OD2 3.75Å
90V91.6Very high77.7Confident26 Ų2662.5 Ų62.516%0.15834%0.335CS..EExtended strand (participates in β ladder)trans-109.8118178.4-172.50000107.2Y84 L97 W98 L99Y84-V90 HydrophobicContact CD1-CB 3.92Å; Y84-V90 HydrophobicContact CD1-CG1 3.36Å; Y84-V90 HydrophobicContact CE1-CB 4.27Å; Y84-V90 HydrophobicContact CE1-CG1 3.56Å; Y84-V90 HydrophobicContact CG-CG1 3.88Å; V90-L97 HydrophobicContact CG1-CD1 3.77Å; V90-L97 HydrophobicContact CG1-CD2 4.35Å; V90-L97 HydrophobicContact CG1-CG 4.15Å; V90-W98 WeakPolarHBondContact CA-O 3.3Å; V90-L99 HydrophobicContact CB-CD2 4.35Å; V90-L99 HydrophobicContact CG1-CD2 3.87Å; V90-L99 HydrophobicContact CG2-CD2 3.82Å
91Q90.9Very high80.1Confident12 Ų1258.1 Ų58.16%0.05632%0.319CS..EExtended strand (participates in β ladder)trans-130.7135.8-174.5-55.2168.621.300108.9G88 H93 W98G88-Q91 WeakPolarHBondContact O-CG 3.4Å; G88-Q91 PolarHBondContact O-NE2 3.48Å; Q91-H93 PolarHBondContact OE1-NE2 3.09Å; Q91-H93 VanDerWaalsContact OE1-NE2 3.16Å; Q91-W98 HydrophobicContact CB-CB 4.31Å; Q91-W98 PolarHBondContact N-O 2.69Å; Q91-W98 PolarHBondContact O-N 2.97Å
92Q90.1Very high82.2Confident24 Ų2450.1 Ų50.111%0.11228%0.281CS..EExtended strand (participates in β ladder)trans-106118174.8-177.3-176.8-33.400110.3Y71 I73 G94 E96 L97Y71-Q92 PolarHBondContact O-NE2 2.49Å; I73-Q92 HydrophobicContact CD1-CG 4.17Å; I73-Q92 HydrophobicContact CG1-CG 4.48Å; Q92-G94 WeakPolarHBondContact CG-O 3.44Å; Q92-G94 PolarHBondContact NE2-O 3.15Å; Q92-E96 WeakPolarHBondContact CA-O 3.43Å; Q92-L97 HydrophobicContact CB-CD1 4.12Å
93H88Confident84.4Confident70 Ų7052.9 Ų52.932%0.32428%0.284SS..EExtended strand (participates in β ladder)trans-111.194.8176.4-67.1-81.7000108.7D86 Q91 G95 E96 W98D86-H93 IonicContact OD1-CE1 3.79Å; Q91-H93 PolarHBondContact OE1-NE2 3.09Å; Q91-H93 VanDerWaalsContact OE1-NE2 3.16Å; H93-G95 PolarHBondContact O-N 2.68Å; H93-G95 VanDerWaalsContact O-N 3.15Å; H93-E96 PolarHBondContact N-O 2.84Å; H93-E96 PolarHBondContact O-N 3.34Å; H93-E96 VanDerWaalsContact O-N 3.07Å; H93-W98 AromaticContact CD2-CD1 3.59Å; H93-W98 AromaticContact CD2-CD2 3.93Å; H93-W98 AromaticContact CD2-CE2 3.88Å; H93-W98 AromaticContact CD2-CG 3.77Å; H93-W98 AromaticContact CD2-NE1 3.71Å
94G86.8Confident86.4Confident46 Ų4652.3 Ų52.347%0.47427%0.269SS..THydrogen-bonded Turntrans58.7-117.8-174.200000111.6Y71 Q92 E96Y71-G94 WeakPolarHBondContact CB-O 3.3Å; Q92-G94 WeakPolarHBondContact CG-O 3.44Å; Q92-G94 PolarHBondContact NE2-O 3.15Å; G94-E96 VanDerWaalsContact C-N 3.33Å
95G87.1Confident87.6Confident8 Ų853.2 Ų53.28%0.08228%0.283CS..THydrogen-bonded Turntrans-89.515178.800000115.5H93H93-G95 PolarHBondContact O-N 2.68Å; H93-G95 VanDerWaalsContact O-N 3.15Å
96E92.4Very high89.2Confident25 Ų2546.5 Ų46.512%0.11725%0.252CS..EExtended strand (participates in β ladder)trans-119142.9179.9-60.3-178.7161.700111.5I49 L50 H51 Q92 H93 G94 W98 R161I49-E96 HydrophobicContact CG2-CB 4.14Å; I49-E96 HydrophobicContact CG2-CG 4.5Å; L50-E96 VanDerWaalsContact O-CA 3.31Å; L50-E96 WeakPolarHBondContact O-CA 3.36Å; H51-E96 IonicContact ND1-OE1 3.92Å; Q92-E96 WeakPolarHBondContact CA-O 3.43Å; H93-E96 PolarHBondContact N-O 2.84Å; H93-E96 PolarHBondContact O-N 3.34Å; H93-E96 VanDerWaalsContact O-N 3.07Å; G94-E96 VanDerWaalsContact C-N 3.33Å; E96-W98 PolarHBondContact OE2-NE1 2.67Å; E96-W98 VanDerWaalsContact OE2-NE1 3.1Å; E96-R161 WeakPolarHBondContact OE1-CD 3.45Å; E96-R161 IonicContact OE1-CZ 3.8Å; E96-R161 IonicContact OE1-NE 3.62Å; E96-R161 PolarHBondContact OE1-NE 2.92Å; E96-R161 IonicContact OE1-NH1 3.86Å; E96-R161 PolarHBondContact OE1-NH1 3.26Å; E96-R161 IonicContact OE1-NH2 3.18Å
97L93.8Very high90.7Very high0 Ų043.3 Ų43.30%024%0.238CC..EExtended strand (participates in β ladder)trans-114120.4173-169.272.3000110.4I49 L50 I73 Y84 V90 Q92 Y110I49-L97 CarbonylContact C-O 3.56Å; I49-L97 WeakPolarHBondContact CA-O 3.34Å; L50-L97 HydrophobicContact CB-CB 4.22Å; L50-L97 HydrophobicContact CD1-CD2 4.26Å; L50-L97 PolarHBondContact N-O 2.86Å; L50-L97 PolarHBondContact O-N 2.65Å; I73-L97 HydrophobicContact CD1-CB 3.83Å; I73-L97 HydrophobicContact CG2-CB 4.29Å; I73-L97 HydrophobicContact CG2-CD2 4.12Å; Y84-L97 HydrophobicContact CD2-CD1 3.45Å; Y84-L97 VanDerWaalsContact CD2-CD1 3.45Å; Y84-L97 HydrophobicContact CE2-CD1 3.82Å; Y84-L97 HydrophobicContact CE2-CD2 4.38Å; Y84-L97 HydrophobicContact CG-CD1 3.89Å; V90-L97 HydrophobicContact CG1-CD1 3.77Å; V90-L97 HydrophobicContact CG1-CD2 4.35Å; V90-L97 HydrophobicContact CG1-CG 4.15Å; Q92-L97 HydrophobicContact CB-CD1 4.12Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.38Å
98W94.1Very high92.1Very high46 Ų4636 Ų3617%0.17421%0.212CC..EExtended strand (participates in β ladder)trans-103.5121.5-175.4-63.850.5000109.1I49 V90 Q91 H93 E96 L100 I208I49-W98 HydrophobicContact CD1-CD2 3.87Å; I49-W98 HydrophobicContact CD1-CE3 3.77Å; I49-W98 HydrophobicContact CD1-CH2 3.92Å; I49-W98 HydrophobicContact CD1-CZ2 3.98Å; I49-W98 HydrophobicContact CD1-CZ3 3.81Å; I49-W98 HydrophobicContact CG1-CD2 3.88Å; I49-W98 HydrophobicContact CG1-CE3 4.05Å; I49-W98 HydrophobicContact CG1-CG 4.14Å; I49-W98 HydrophobicContact CG2-CD2 4.48Å; I49-W98 HydrophobicContact CG2-CG 4.39Å; V90-W98 WeakPolarHBondContact CA-O 3.3Å; Q91-W98 HydrophobicContact CB-CB 4.31Å; Q91-W98 PolarHBondContact N-O 2.69Å; Q91-W98 PolarHBondContact O-N 2.97Å; H93-W98 AromaticContact CD2-CD1 3.59Å; H93-W98 AromaticContact CD2-CD2 3.93Å; H93-W98 AromaticContact CD2-CE2 3.88Å; H93-W98 AromaticContact CD2-CG 3.77Å; H93-W98 AromaticContact CD2-NE1 3.71Å; E96-W98 PolarHBondContact OE2-NE1 2.67Å; E96-W98 VanDerWaalsContact OE2-NE1 3.1Å; W98-L100 HydrophobicContact CB-CD1 4.36Å; W98-L100 HydrophobicContact CB-CG 4.23Å; W98-L100 HydrophobicContact CE3-CD1 4.12Å; W98-I208 HydrophobicContact CE3-CD1 4.27Å; W98-I208 HydrophobicContact CE3-CG2 4.14Å; W98-I208 HydrophobicContact CZ3-CD1 4.02Å; W98-I208 HydrophobicContact CZ3-CG1 4.26Å; W98-I208 HydrophobicContact CZ3-CG2 3.76Å
99L94.9Very high92.6Very high0 Ų037.4 Ų37.40%020%0.204CC..EExtended strand (participates in β ladder)trans-112.8102.3179-61.5165.6000108.4V48 L50 V90 P101 A102 D106 L127V48-L99 HydrophobicContact CB-CB 4.22Å; V48-L99 HydrophobicContact CB-CD1 4.37Å; V48-L99 HydrophobicContact CG1-CD1 4.33Å; V48-L99 PolarHBondContact N-O 3.33Å; V48-L99 PolarHBondContact O-N 2.8Å; L50-L99 HydrophobicContact CD1-CD1 4.47Å; V90-L99 HydrophobicContact CB-CD2 4.35Å; V90-L99 HydrophobicContact CG1-CD2 3.87Å; V90-L99 HydrophobicContact CG2-CD2 3.82Å; L99-P101 CarbonylContact O-C 3.55Å; L99-A102 HydrophobicContact CB-CB 4.24Å; L99-A102 PolarHBondContact O-N 3.44Å; L99-D106 HydrophobicContact CD1-CB 4.29Å; L99-D106 HydrophobicContact CD2-CB 4.48Å; L99-L127 HydrophobicContact CD1-CD2 3.39Å
100L94Very high92.8Very high6 Ų634.9 Ų34.93%0.03120%0.195CC..THydrogen-bonded Turntrans-127.983.6-165.3-57.3-178.7000112A47 R89 W98 I208 Y213A47-L100 HydrophobicContact CB-CD2 3.61Å; R89-L100 WeakPolarHBondContact CG-O 3.42Å; R89-L100 PolarHBondContact O-N 3.12Å; W98-L100 HydrophobicContact CB-CD1 4.36Å; W98-L100 HydrophobicContact CB-CG 4.23Å; W98-L100 HydrophobicContact CE3-CD1 4.12Å; L100-I208 HydrophobicContact CD1-CD1 4.38Å; L100-I208 HydrophobicContact CD1-CG2 3.78Å; L100-I208 HydrophobicContact CD2-CD1 3.66Å; L100-Y213 HydrophobicContact CB-CD1 4.36Å; L100-Y213 HydrophobicContact CB-CE1 3.76Å; L100-Y213 HydrophobicContact CB-CE2 4.39Å; L100-Y213 HydrophobicContact CD1-CE2 4.44Å
101P95.3Very high92.8Very high47 Ų4734.6 Ų34.631%0.30519%0.193SC..THydrogen-bonded Turncis-89.6167.4-4.735.3-34.4000113.1G45 E46 R89 L99G45-P101 WeakPolarHBondContact O-CB 3.37Å; E46-P101 CarbonylContact O-C 3.55Å; E46-P101 WeakPolarHBondContact O-CA 3.26Å; R89-P101 WeakPolarHBondContact CD-O 3.28Å; R89-P101 PolarHBondContact NH1-O 2.77Å; L99-P101 CarbonylContact O-C 3.55Å
102A95.8Very high92.8Very high0 Ų034 Ų340%019%0.19CC..  trans-69.2145169.600000111.9G45 E46 V48 L99 D106 V129G45-A102 PolarHBondContact N-O 2.79Å; E46-A102 PolarHBondContact O-N 2.81Å; V48-A102 HydrophobicContact CB-CB 4.2Å; V48-A102 HydrophobicContact CG2-CB 3.64Å; L99-A102 HydrophobicContact CB-CB 4.24Å; L99-A102 PolarHBondContact O-N 3.44Å; A102-D106 WeakPolarHBondContact CA-OD2 3.29Å; A102-V129 HydrophobicContact CB-CG1 4.45Å; A102-V129 HydrophobicContact CB-CG2 4.39Å
103R95.9Very high92.9Very high128 Ų12834.1 Ų34.148%0.48319%0.193SC..  trans-119.8157.8177.1-64.1-179.7179.3179.9-0.9110.4E44 S105 D106E44-R103 WeakPolarHBondContact OE1-CA 3.39Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.16Å; R103-D106 PolarHBondContact N-OD2 2.91Å; R103-D106 WeakPolarHBondContact O-CB 3.37Å; R103-D106 PolarHBondContact O-N 2.88Å
104L94.6Very high92.9Very high71 Ų7131.2 Ų31.237%0.37218%0.179SC..G310 helixtrans-51.1-41.1172.5-67.8178000112.4E44 D106 S107 V129 Y130 E131E44-L104 HydrophobicContact CB-CD2 4.4Å; E44-L104 HydrophobicContact CB-CG 4.48Å; E44-L104 PolarHBondContact OE1-N 2.94Å; L104-D106 PolarHBondContact O-N 3.46Å; L104-D106 VanDerWaalsContact O-N 3.12Å; L104-S107 WeakPolarHBondContact O-CB 3.44Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 VanDerWaalsContact O-N 3.15Å; L104-S107 PolarHBondContact O-OG 2.83Å; L104-V129 WeakPolarHBondContact CD2-O 3.4Å; L104-Y130 VanDerWaalsContact CD2-C 3.49Å; L104-E131 HydrophobicContact CD1-CB 4.45Å; L104-E131 HydrophobicContact CD2-CB 4.21Å
105S92.9Very high92.7Very high72 Ų7236.9 Ų36.950%0.50319%0.186SC..G310 helixtrans-64.7-10.9178.864.30000114.2R75 R103 S107R75-S105 PolarHBondContact NH1-O 2.82Å; R75-S105 PolarHBondContact NH2-O 2.86Å; R103-S105 PolarHBondContact O-N 2.87Å; R103-S105 VanDerWaalsContact O-N 3.16Å; S105-S107 VanDerWaalsContact C-N 3.34Å
106D93.8Very high92.3Very high6 Ų638.5 Ų38.53%0.03219%0.193CC..G310 helixtrans-83.5-10.2177-59.7-31000112R89 L99 A102 R103 L104 G108 Y110 L127 V129R89-D106 IonicContact CZ-OD1 3.18Å; R89-D106 IonicContact CZ-OD2 3.7Å; R89-D106 IonicContact NH1-OD1 2.76Å; R89-D106 PolarHBondContact NH1-OD1 2.83Å; R89-D106 IonicContact NH1-OD2 2.74Å; R89-D106 PolarHBondContact NH1-OD2 3.01Å; R89-D106 IonicContact NH2-OD1 3.2Å; R89-D106 PolarHBondContact NH2-OD1 2.86Å; R89-D106 IonicContact NH2-OD2 3.75Å; L99-D106 HydrophobicContact CD1-CB 4.29Å; L99-D106 HydrophobicContact CD2-CB 4.48Å; A102-D106 WeakPolarHBondContact CA-OD2 3.29Å; R103-D106 PolarHBondContact N-OD2 2.91Å; R103-D106 WeakPolarHBondContact O-CB 3.37Å; R103-D106 PolarHBondContact O-N 2.88Å; L104-D106 PolarHBondContact O-N 3.46Å; L104-D106 VanDerWaalsContact O-N 3.12Å; D106-G108 PolarHBondContact O-N 3.15Å; D106-Y110 WeakPolarHBondContact O-CE2 3.17Å; D106-Y110 PolarHBondContact O-OH 2.8Å; D106-L127 HydrophobicContact CB-CD2 4.41Å; D106-V129 HydrophobicContact CB-CG2 4.44Å
107S94.7Very high91.4Very high40 Ų4046.4 Ų46.428%0.2823%0.23SC..  trans-59.7128.2178.5-570000112.9R75 L104 S105 L127 V129R75-S107 PolarHBondContact NH2-O 3.35Å; L104-S107 WeakPolarHBondContact O-CB 3.44Å; L104-S107 PolarHBondContact O-N 2.94Å; L104-S107 VanDerWaalsContact O-N 3.15Å; L104-S107 PolarHBondContact O-OG 2.83Å; S105-S107 VanDerWaalsContact C-N 3.34Å; S107-L127 CarbonylContact C-O 3.6Å; S107-L127 VanDerWaalsContact CA-O 3.23Å; S107-L127 WeakPolarHBondContact CA-O 3.3Å; S107-V129 WeakPolarHBondContact OG-CB 3.33Å; S107-V129 PolarHBondContact OG-N 2.87Å; S107-V129 PolarHBondContact OG-O 2.83Å
108G93.7Very high90.4Very high22 Ų2252.4 Ų52.423%0.22727%0.266CS..EExtended strand (participates in β ladder)trans158.2-176.4176.100000113.6D106 Y110 L127D106-G108 PolarHBondContact O-N 3.15Å; G108-Y110 WeakPolarHBondContact O-CD2 3.4Å; G108-L127 PolarHBondContact N-O 2.98Å; G108-L127 PolarHBondContact O-N 2.04Å
109K94Very high89.6Confident80 Ų8051.8 Ų51.835%0.34827%0.265SS..EExtended strand (participates in β ladder)trans-86126177.2177.2175.5154.3177.10110.8N76N76-K109 PolarHBondContact N-O 3.5Å; N76-K109 WeakPolarHBondContact ND2-CE 3.44Å
110Y93.6Very high89.2Confident4 Ų452.4 Ų52.42%0.01627%0.269CS..EExtended strand (participates in β ladder)trans-108.6138.3174.9-68.4-96000109.4L50 I73 S74 R75 L97 D106 G108 S124 I125 L127L50-Y110 HydrophobicContact CD1-CD1 4.03Å; L50-Y110 HydrophobicContact CD1-CD2 3.56Å; L50-Y110 HydrophobicContact CD1-CE1 4.25Å; L50-Y110 HydrophobicContact CD1-CE2 3.83Å; L50-Y110 HydrophobicContact CD1-CG 3.67Å; I73-Y110 HydrophobicContact CG2-CD1 4.3Å; S74-Y110 CarbonylContact O-C 3.53Å; S74-Y110 WeakPolarHBondContact O-CA 3.42Å; R75-Y110 HydrophobicContact CB-CD1 4.2Å; R75-Y110 HydrophobicContact CB-CE1 4.15Å; R75-Y110 HydrophobicContact CG-CD1 4.42Å; R75-Y110 HydrophobicContact CG-CE1 4.2Å; L97-Y110 HydrophobicContact CD2-CD1 3.58Å; L97-Y110 HydrophobicContact CD2-CE1 3.38Å; D106-Y110 WeakPolarHBondContact O-CE2 3.17Å; D106-Y110 PolarHBondContact O-OH 2.8Å; G108-Y110 WeakPolarHBondContact O-CD2 3.4Å; Y110-S124 CarbonylContact O-C 3.46Å; Y110-S124 VanDerWaalsContact O-CA 3.23Å; Y110-S124 WeakPolarHBondContact O-CA 3.35Å; Y110-I125 PolarHBondContact N-O 2.97Å; Y110-I125 PolarHBondContact O-N 3.03Å; Y110-L127 HydrophobicContact CD2-CB 4.23Å; Y110-L127 HydrophobicContact CE2-CB 3.92Å; Y110-L127 HydrophobicContact CE2-CD2 4.2Å
111T92.8Very high88.9Confident19 Ų1952.1 Ų52.112%0.11727%0.268CS..EExtended strand (participates in β ladder)trans-121.1115.6-179.2-540000108.9I73 S74 N76 T122 G123I73-T111 WeakPolarHBondContact CA-O 3.05Å; S74-T111 PolarHBondContact N-O 2.84Å; S74-T111 PolarHBondContact O-N 3.28Å; S74-T111 PolarHBondContact OG-O 2.82Å; N76-T111 PolarHBondContact OD1-OG1 2.95Å; T111-T122 HydrophobicContact CG2-CG2 4.24Å; T111-G123 CarbonylContact C-O 3.47Å; T111-G123 WeakPolarHBondContact CA-O 3.16Å
112C91.7Very high88.7Confident0 Ų050.8 Ų50.80%026%0.259CS..EExtended strand (participates in β ladder)trans-89.3121.3170.9-1710000108.9F52 F55 I73 T122 G123F52-C112 HydrophobicContact CD1-CB 3.82Å; F52-C112 HydrophobicContact CD2-CB 3.77Å; F52-C112 HydrophobicContact CE1-CB 3.71Å; F52-C112 HydrophobicContact CE2-CB 3.71Å; F52-C112 HydrophobicContact CG-CB 3.85Å; F52-C112 HydrophobicContact CZ-CB 3.66Å; F55-C112 HydrophobicContact CD1-CB 4.38Å; F55-C112 HydrophobicContact CE1-CB 4.17Å; I73-C112 HydrophobicContact CG1-CB 4.07Å; C112-T122 CarbonylContact O-C 3.52Å; C112-T122 VanDerWaalsContact O-CA 3.28Å; C112-T122 WeakPolarHBondContact O-CA 3.42Å; C112-G123 PolarHBondContact N-O 2.86Å; C112-G123 PolarHBondContact O-N 3.36Å
113T90.6Very high88.5Confident27 Ų2750.8 Ų50.817%0.16626%0.259CS..EExtended strand (participates in β ladder)trans-109.9124.6179.1-51.60000108.7Y71 V72 R115 T122Y71-T113 CarbonylContact C-O 3.51Å; Y71-T113 WeakPolarHBondContact CA-O 3.08Å; V72-T113 PolarHBondContact N-O 3.4Å; V72-T113 PolarHBondContact O-N 2.78Å; T113-R115 HydrophobicContact CG2-CB 4.18Å; T113-T122 HydrophobicContact CG2-CG2 3.93Å
114Y88.3Confident88.3Confident9 Ų945.3 Ų45.34%0.03524%0.24CC..EExtended strand (participates in β ladder)trans-106.4110.1168.3-173.4-108.8000108.2L59 I64 A65 A69 Y71 F119 V121L59-Y114 HydrophobicContact CD1-CD1 3.82Å; L59-Y114 HydrophobicContact CD1-CD2 4.29Å; L59-Y114 HydrophobicContact CD1-CE1 4.4Å; L59-Y114 HydrophobicContact CD1-CG 3.73Å; L59-Y114 HydrophobicContact CD2-CD1 3.82Å; L59-Y114 HydrophobicContact CD2-CG 4.37Å; L59-Y114 HydrophobicContact CG-CD1 4.45Å; I64-Y114 VanDerWaalsContact O-CE1 3.25Å; I64-Y114 WeakPolarHBondContact O-CE1 3.46Å; A65-Y114 WeakPolarHBondContact CA-OH 3.4Å; A69-Y114 HydrophobicContact CB-CD1 4.34Å; A69-Y114 HydrophobicContact CB-CD2 4.28Å; A69-Y114 HydrophobicContact CB-CE1 3.66Å; A69-Y114 HydrophobicContact CB-CE2 3.61Å; A69-Y114 WeakPolarHBondContact CB-OH 3.48Å; A69-Y114 WeakPolarHBondContact O-CE2 3.47Å; Y71-Y114 AromaticContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CD2 3.59Å; Y71-Y114 HydrophobicContact CD1-CE2 4.42Å; Y71-Y114 HydrophobicContact CD1-CG 4.31Å; Y71-Y114 HydrophobicContact CD2-CD2 4.22Å; Y71-Y114 HydrophobicContact CD2-CE2 4.35Å; Y71-Y114 AromaticContact CE1-CD2 3.32Å; Y71-Y114 HydrophobicContact CE1-CD2 3.32Å; Y71-Y114 AromaticContact CE1-CE2 3.93Å; Y71-Y114 HydrophobicContact CE1-CE2 3.93Å; Y71-Y114 AromaticContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE1-CG 3.97Å; Y71-Y114 HydrophobicContact CE2-CD2 4.01Å; Y71-Y114 AromaticContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CE2-CE2 3.87Å; Y71-Y114 HydrophobicContact CG-CD2 4.03Å; Y71-Y114 AromaticContact CZ-CD2 3.56Å; Y71-Y114 AromaticContact CZ-CE2 3.63Å; Y114-F119 HydrophobicContact CD1-CD2 4.27Å; Y114-F119 AromaticContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CE1-CD2 4.4Å; Y114-F119 AromaticContact CE1-CE2 3.38Å; Y114-F119 HydrophobicContact CE1-CE2 3.38Å; Y114-F119 AromaticContact CE1-CZ 3.96Å; Y114-F119 HydrophobicContact CE1-CZ 3.96Å; Y114-V121 PolarHBondContact N-O 2.98Å; Y114-V121 PolarHBondContact O-N 3.27Å
115R83.6Confident88.3Confident165 Ų16542 Ų4262%0.62322%0.223SC*.EExtended strand (participates in β ladder)trans-128.8137.8-171.9-172.8174.3-176179.72.9111.4Q70 T113 F119 C120Q70-R115 PolarHBondContact N-O 2.79Å; Q70-R115 PolarHBondContact O-N 3.31Å; T113-R115 HydrophobicContact CG2-CB 4.18Å; R115-F119 WeakPolarHBondContact CA-O 3.46Å; R115-C120 HydrophobicContact CG-CB 4.27Å
116N78.1Confident88.4Confident41 Ų4140.3 Ų40.322%0.21921%0.209CC..  trans-124.8-177.8165.5-153.5-12.2000109.5A69 T118 F119A69-N116 HydrophobicContact CB-CB 3.91Å; N116-T118 PolarHBondContact O-N 3Å; N116-F119 HydrophobicContact CB-CD1 3.81Å; N116-F119 HydrophobicContact CB-CD2 3.97Å; N116-F119 HydrophobicContact CB-CE1 3.45Å; N116-F119 VanDerWaalsContact CB-CE1 3.45Å; N116-F119 HydrophobicContact CB-CE2 3.58Å; N116-F119 HydrophobicContact CB-CG 4.08Å; N116-F119 HydrophobicContact CB-CZ 3.34Å; N116-F119 PolarHBondContact N-O 2.82Å; N116-F119 WeakPolarHBondContact ND2-CE1 3.32Å
117E73.2Confident88.5Confident191 Ų19140 Ų4089%0.89321%0.208SC*.SBendtrans-58.6-29.7175-62.6-172.7166.900112.9
118T73.1Confident88.5Confident126 Ų12641 Ų4177%0.77321%0.208SC*.SBendtrans-113.6-20.8-171.948.30000115.1N116N116-T118 PolarHBondContact O-N 3Å
119F76.8Confident88.6Confident34 Ų3440.4 Ų40.415%0.14920%0.2CC..  trans-135.1146.2-177.558.4-99.2000111.5I64 P66 A69 Y114 R115 N116I64-F119 HydrophobicContact CG2-CD2 3.63Å; I64-F119 HydrophobicContact CG2-CE2 3.9Å; I64-F119 HydrophobicContact CG2-CG 4.06Å; I64-F119 HydrophobicContact CG2-CZ 4.48Å; I64-F119 WeakPolarHBondContact O-CE2 3.37Å; I64-F119 WeakPolarHBondContact O-CZ 3.27Å; P66-F119 HydrophobicContact CG-CE1 4.03Å; P66-F119 HydrophobicContact CG-CZ 4.19Å; A69-F119 HydrophobicContact CB-CE2 3.84Å; A69-F119 HydrophobicContact CB-CZ 3.78Å; Y114-F119 HydrophobicContact CD1-CD2 4.27Å; Y114-F119 AromaticContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CD1-CE2 3.62Å; Y114-F119 HydrophobicContact CE1-CD2 4.4Å; Y114-F119 AromaticContact CE1-CE2 3.38Å; Y114-F119 HydrophobicContact CE1-CE2 3.38Å; Y114-F119 AromaticContact CE1-CZ 3.96Å; Y114-F119 HydrophobicContact CE1-CZ 3.96Å; R115-F119 WeakPolarHBondContact CA-O 3.46Å; N116-F119 HydrophobicContact CB-CD1 3.81Å; N116-F119 HydrophobicContact CB-CD2 3.97Å; N116-F119 HydrophobicContact CB-CE1 3.45Å; N116-F119 VanDerWaalsContact CB-CE1 3.45Å; N116-F119 HydrophobicContact CB-CE2 3.58Å; N116-F119 HydrophobicContact CB-CG 4.08Å; N116-F119 HydrophobicContact CB-CZ 3.34Å; N116-F119 PolarHBondContact N-O 2.82Å; N116-F119 WeakPolarHBondContact ND2-CE1 3.32Å
120C86.1Confident88.6Confident12 Ų1239.2 Ų39.28%0.08119%0.194CC..EExtended strand (participates in β ladder)trans-136.3125.6172.9-177.50000108.4C31 Y32 R115C31-C120 HydrophobicContact CB-CB 3.74Å; C31-C120 WeakPolarHBondContact CB-SG 3.29Å; C31-C120 WeakPolarHBondContact SG-CB 3.17Å; C31-C120 CovalentContact SG-SG 2.03Å; C31-C120 PolarHBondContact SG-SG 2.89Å; Y32-C120 WeakPolarHBondContact CD2-O 3.49Å; Y32-C120 PolarHBondContact N-O 3.1Å; R115-C120 HydrophobicContact CG-CB 4.27Å
121V88.2Confident88.6Confident0 Ų046 Ų460%023%0.226CC..EExtended strand (participates in β ladder)trans-130136.3174.8-1670000109L25 Y32 F55 L59 I64 Y114L25-V121 HydrophobicContact CD1-CG1 4.11Å; Y32-V121 CarbonylContact O-C 3.47Å; Y32-V121 WeakPolarHBondContact O-CA 2.95Å; F55-V121 HydrophobicContact CD2-CG1 4.41Å; F55-V121 HydrophobicContact CE2-CB 4.15Å; F55-V121 HydrophobicContact CE2-CG1 3.9Å; F55-V121 WeakPolarHBondContact CE2-O 3.47Å; L59-V121 HydrophobicContact CD2-CB 3.81Å; L59-V121 HydrophobicContact CD2-CG1 4.04Å; L59-V121 HydrophobicContact CD2-CG2 3.89Å; I64-V121 HydrophobicContact CD1-CG2 4.35Å; I64-V121 HydrophobicContact CG2-CG2 3.94Å; Y114-V121 PolarHBondContact N-O 2.98Å; Y114-V121 PolarHBondContact O-N 3.27Å
122T91.3Very high88.5Confident19 Ų1947.3 Ų47.312%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-121.9136.2179.856.90000111.3C31 Y32 Q33 A34 T111 C112 T113C31-T122 HydrophobicContact CB-CG2 3.96Å; Y32-T122 PolarHBondContact O-N 2.94Å; Y32-T122 PolarHBondContact O-OG1 3.01Å; Q33-T122 WeakPolarHBondContact CA-O 3.3Å; A34-T122 PolarHBondContact N-O 3.36Å; T111-T122 HydrophobicContact CG2-CG2 4.24Å; C112-T122 CarbonylContact O-C 3.52Å; C112-T122 VanDerWaalsContact O-CA 3.28Å; C112-T122 WeakPolarHBondContact O-CA 3.42Å; T113-T122 HydrophobicContact CG2-CG2 3.93Å
123G91.2Very high88.1Confident1 Ų148.9 Ų48.91%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-116.6152.4165.700000110F55 T111 C112F55-G123 VanDerWaalsContact CD2-N 3.27Å; T111-G123 CarbonylContact C-O 3.47Å; T111-G123 WeakPolarHBondContact CA-O 3.16Å; C112-G123 PolarHBondContact N-O 2.86Å; C112-G123 PolarHBondContact O-N 3.36Å
124S92.6Very high87.9Confident12 Ų1251.4 Ų51.48%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-132.6144.2-179.564.50000112.7P36 E37 Y110P36-S124 WeakPolarHBondContact CA-O 3.25Å; E37-S124 PolarHBondContact N-O 2.76Å; Y110-S124 CarbonylContact O-C 3.46Å; Y110-S124 VanDerWaalsContact O-CA 3.23Å; Y110-S124 WeakPolarHBondContact O-CA 3.35Å
125I94Very high87.7Confident3 Ų353.9 Ų53.92%0.01528%0.283CS..EExtended strand (participates in β ladder)trans-137.4140.5177.4-167.4162.9000109.9E37 I40 L50 F52 Y110E37-I125 HydrophobicContact CB-CB 3.76Å; E37-I125 HydrophobicContact CB-CD1 3.74Å; E37-I125 HydrophobicContact CB-CG1 3.65Å; E37-I125 HydrophobicContact CG-CB 4.01Å; E37-I125 HydrophobicContact CG-CD1 4.17Å; E37-I125 HydrophobicContact CG-CG1 4.31Å; I40-I125 HydrophobicContact CD1-CD1 3.39Å; I40-I125 HydrophobicContact CD1-CG1 4.31Å; I40-I125 HydrophobicContact CG1-CD1 3.87Å; I40-I125 HydrophobicContact CG1-CG1 4.35Å; L50-I125 HydrophobicContact CD1-CG2 4.37Å; F52-I125 HydrophobicContact CD1-CB 4.13Å; F52-I125 HydrophobicContact CD1-CG2 4.06Å; F52-I125 HydrophobicContact CE1-CB 3.76Å; F52-I125 HydrophobicContact CE1-CG2 3.31Å; F52-I125 HydrophobicContact CE2-CG2 4.11Å; F52-I125 HydrophobicContact CZ-CB 4.27Å; F52-I125 HydrophobicContact CZ-CG2 3.33Å; Y110-I125 PolarHBondContact N-O 2.97Å; Y110-I125 PolarHBondContact O-N 3.03Å
126T95Very high87.9Confident35 Ų3548.8 Ų48.822%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-102.6127.8174.5-37.20000110.1D39 I40 H128D39-T126 WeakPolarHBondContact CA-O 3.4Å; D39-T126 WeakPolarHBondContact OD1-CB 3.47Å; D39-T126 PolarHBondContact OD1-OG1 2.96Å; I40-T126 PolarHBondContact N-O 2.93Å; T126-H128 WeakPolarHBondContact CG2-NE2 3.32Å
127L95.5Very high88.1Confident0 Ų048.6 Ų48.60%027%0.268CS..EExtended strand (participates in β ladder)trans-104132.8171.8175.364000109.7I40 R42 V48 L50 L99 D106 S107 G108 Y110 V129I40-L127 HydrophobicContact CB-CD1 4.28Å; I40-L127 HydrophobicContact CG2-CD1 3.88Å; I40-L127 CarbonylContact O-C 3.58Å; I40-L127 WeakPolarHBondContact O-CA 3.48Å; R42-L127 HydrophobicContact CB-CD1 4.39Å; R42-L127 HydrophobicContact CG-CD1 4.12Å; V48-L127 HydrophobicContact CG1-CD1 4.11Å; V48-L127 HydrophobicContact CG1-CD2 4.44Å; L50-L127 HydrophobicContact CD1-CB 4.49Å; L50-L127 HydrophobicContact CD1-CD2 4.41Å; L50-L127 HydrophobicContact CD2-CB 4.23Å; L50-L127 HydrophobicContact CD2-CD1 4.2Å; L50-L127 HydrophobicContact CD2-CD2 4.27Å; L50-L127 HydrophobicContact CD2-CG 4.46Å; L99-L127 HydrophobicContact CD1-CD2 3.39Å; D106-L127 HydrophobicContact CB-CD2 4.41Å; S107-L127 CarbonylContact C-O 3.6Å; S107-L127 VanDerWaalsContact CA-O 3.23Å; S107-L127 WeakPolarHBondContact CA-O 3.3Å; G108-L127 PolarHBondContact N-O 2.98Å; G108-L127 PolarHBondContact O-N 2.04Å; Y110-L127 HydrophobicContact CD2-CB 4.23Å; Y110-L127 HydrophobicContact CE2-CB 3.92Å; Y110-L127 HydrophobicContact CE2-CD2 4.2Å; L127-V129 HydrophobicContact CD1-CG2 4.19Å; L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.81Å
128H95.4Very high88.5Confident61 Ų6143.3 Ų43.328%0.28224%0.242SC..EExtended strand (participates in β ladder)trans-117.8119.1170-63.2-86.9000109.1D39 I40 F41 R42 T126 Y130D39-H128 IonicContact OD2-NE2 3.65Å; I40-H128 PolarHBondContact O-N 3.04Å; F41-H128 CarbonylContact C-O 3.53Å; F41-H128 WeakPolarHBondContact CA-O 3.32Å; F41-H128 HydrophobicContact CD1-CB 3.63Å; F41-H128 AromaticContact CD1-CD2 3.86Å; F41-H128 AromaticContact CD1-CG 3.9Å; F41-H128 HydrophobicContact CE1-CB 4.09Å; F41-H128 AromaticContact CE1-CD2 3.48Å; F41-H128 VanDerWaalsContact CE1-CD2 3.48Å; F41-H128 WeakPolarHBondContact CE1-CD2 3.36Å; F41-H128 AromaticContact CE1-CG 3.83Å; R42-H128 PolarHBondContact N-O 2.96Å; T126-H128 WeakPolarHBondContact CG2-NE2 3.32Å; H128-Y130 HydrophobicContact CB-CE2 3.93Å
129V95.7Very high88.9Confident10 Ų1038.5 Ų38.56%0.06122%0.215CC..EExtended strand (participates in β ladder)trans-109.5120.5177.3-170.80000109.1R42 E44 A102 L104 D106 S107 L127R42-V129 CarbonylContact O-C 3.59Å; R42-V129 WeakPolarHBondContact O-CA 3.35Å; E44-V129 HydrophobicContact CB-CG1 4.11Å; A102-V129 HydrophobicContact CB-CG1 4.45Å; A102-V129 HydrophobicContact CB-CG2 4.39Å; L104-V129 WeakPolarHBondContact CD2-O 3.4Å; D106-V129 HydrophobicContact CB-CG2 4.44Å; S107-V129 WeakPolarHBondContact OG-CB 3.33Å; S107-V129 PolarHBondContact OG-N 2.87Å; S107-V129 PolarHBondContact OG-O 2.83Å; L127-V129 HydrophobicContact CD1-CG2 4.19Å; L127-V129 HydrophobicContact CD2-CG2 3.82Å; L127-V129 HydrophobicContact CG-CG2 3.81Å
130Y94.8Very high89.4Confident55 Ų5537.7 Ų37.722%0.21621%0.212CC..EExtended strand (participates in β ladder)trans-102.5152.6178.5-67.3-90.1000111.6F41 R42 V43 E44 L104 H128 S132 A135 D136 L140F41-Y130 HydrophobicContact CB-CE2 4.42Å; F41-Y130 AromaticContact CD1-CE2 3.99Å; F41-Y130 HydrophobicContact CD1-CE2 3.99Å; R42-Y130 PolarHBondContact O-N 2.87Å; V43-Y130 CarbonylContact C-O 3.52Å; V43-Y130 VanDerWaalsContact CA-O 3.29Å; V43-Y130 WeakPolarHBondContact CA-O 3.14Å; E44-Y130 PolarHBondContact N-O 2.83Å; L104-Y130 VanDerWaalsContact CD2-C 3.49Å; H128-Y130 HydrophobicContact CB-CE2 3.93Å; Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 3.42Å; Y130-A135 HydrophobicContact CD1-CB 3.78Å; Y130-A135 HydrophobicContact CG-CB 4.35Å; Y130-D136 HydrophobicContact CD1-CB 4.34Å; Y130-D136 HydrophobicContact CE1-CB 3.81Å; Y130-L140 HydrophobicContact CD2-CD1 4.09Å; Y130-L140 HydrophobicContact CD2-CD2 3.98Å; Y130-L140 HydrophobicContact CD2-CG 4.11Å; Y130-L140 HydrophobicContact CG-CD1 4.23Å
131E93.4Very high89.4Confident147 Ų14737.6 Ų37.669%0.68721%0.212SC*.SBendtrans-65.6-38.1179.6-178.4179.4-155.500111.3L104L104-E131 HydrophobicContact CD1-CB 4.45Å; L104-E131 HydrophobicContact CD2-CB 4.21Å
132S90.1Very high89.1Confident46 Ų4640.8 Ų40.832%0.32222%0.224SC..SBendtrans-154.1164.1179.864.50000111.4Y130 S134 A135Y130-S132 VanDerWaalsContact C-N 3.3Å; Y130-S132 PolarHBondContact O-N 3.42Å; S132-S134 PolarHBondContact O-N 3.13Å; S132-S134 PolarHBondContact OG-OG 2.95Å; S132-S134 VanDerWaalsContact OG-OG 3.05Å; S132-A135 VanDerWaalsContact O-CB 3.28Å; S132-A135 WeakPolarHBondContact O-CB 3.41Å; S132-A135 PolarHBondContact O-N 2.95Å; S132-A135 VanDerWaalsContact O-N 3.11Å
133Y84.1Confident88.7Confident33 Ų3344.5 Ų44.513%0.12925%0.249CC..THydrogen-bonded Turntrans-61.4-29.4-179.3-162.7-90.4000113.6A135 V137 L140 S141 F175 V199 A218Y133-A135 PolarHBondContact O-N 2.95Å; Y133-V137 HydrophobicContact CD1-CG2 4.22Å; Y133-V137 HydrophobicContact CE1-CB 4.36Å; Y133-V137 HydrophobicContact CE1-CG1 4.05Å; Y133-V137 HydrophobicContact CE1-CG2 4.14Å; Y133-V137 WeakPolarHBondContact O-CG2 3.5Å; Y133-L140 HydrophobicContact CD2-CB 4.01Å; Y133-L140 HydrophobicContact CD2-CD1 4.19Å; Y133-L140 HydrophobicContact CE2-CB 3.56Å; Y133-L140 WeakPolarHBondContact CE2-O 3.41Å; Y133-L140 PolarHBondContact OH-O 2.92Å; Y133-S141 PolarHBondContact OH-OG 3.24Å; Y133-F175 AromaticContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CZ 4.35Å; Y133-V199 HydrophobicContact CE1-CG1 3.62Å; Y133-A218 HydrophobicContact CE1-CB 4.46Å; Y133-A218 HydrophobicContact CE2-CB 3.57Å; Y133-A218 VanDerWaalsContact CZ-CB 3.42Å; Y133-A218 WeakPolarHBondContact OH-CB 3.42Å
134S84.5Confident88.4Confident80 Ų8047.9 Ų47.956%0.55926%0.261SS*.THydrogen-bonded Turntrans-72.4-14.3178.248.30000113.9S132S132-S134 PolarHBondContact O-N 3.13Å; S132-S134 PolarHBondContact OG-OG 2.95Å; S132-S134 VanDerWaalsContact OG-OG 3.05Å
135A86.1Confident87.9Confident61 Ų6150 Ų5050%0.50428%0.276SS..SBendtrans-65.9-42.3-178.600000112.3Y130 S132 Y133Y130-A135 HydrophobicContact CD1-CB 3.78Å; Y130-A135 HydrophobicContact CG-CB 4.35Å; S132-A135 VanDerWaalsContact O-CB 3.28Å; S132-A135 WeakPolarHBondContact O-CB 3.41Å; S132-A135 PolarHBondContact O-N 2.95Å; S132-A135 VanDerWaalsContact O-N 3.11Å; Y133-A135 PolarHBondContact O-N 2.95Å
136D85.9Confident87.2Confident57 Ų5749.9 Ų49.931%0.30528%0.276SS..  trans-152.184.9172.4-167.1-23.4000110.7Y130 K138 A139 L140Y130-D136 HydrophobicContact CD1-CB 4.34Å; Y130-D136 HydrophobicContact CE1-CB 3.81Å; D136-K138 PolarHBondContact O-N 2.88Å; D136-K138 PolarHBondContact OD1-N 2.8Å; D136-K138 VanDerWaalsContact OD1-N 3.12Å; D136-A139 HydrophobicContact CB-CB 4.06Å; D136-A139 VanDerWaalsContact CG-CB 3.41Å; D136-A139 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact OD1-N 2.8Å; D136-A139 WeakPolarHBondContact OD2-CB 3.33Å; D136-L140 VanDerWaalsContact O-CB 3.32Å; D136-L140 WeakPolarHBondContact O-CB 3.49Å; D136-L140 WeakPolarHBondContact O-CD1 3.4Å; D136-L140 WeakPolarHBondContact O-CG 3.07Å; D136-L140 PolarHBondContact O-N 2.79Å
137V83.7Confident86.6Confident38 Ų3854.7 Ų54.723%0.2329%0.294CS..THydrogen-bonded Turntrans-57.1-34.5179.41720000111.4Y133 S141 F175 V199Y133-V137 HydrophobicContact CD1-CG2 4.22Å; Y133-V137 HydrophobicContact CE1-CB 4.36Å; Y133-V137 HydrophobicContact CE1-CG1 4.05Å; Y133-V137 HydrophobicContact CE1-CG2 4.14Å; Y133-V137 WeakPolarHBondContact O-CG2 3.5Å; V137-S141 WeakPolarHBondContact O-CB 3.43Å; V137-S141 PolarHBondContact O-N 2.75Å; V137-S141 VanDerWaalsContact O-N 3.08Å; V137-S141 PolarHBondContact O-OG 2.8Å; V137-F175 HydrophobicContact CG2-CZ 4.18Å; V137-V199 HydrophobicContact CG1-CG2 3.7Å
138K80.1Confident86.3Confident80 Ų8057 Ų5735%0.34831%0.308SS..THydrogen-bonded Turntrans-76-43.3-174.5-64-173.5-172.4-169.40111.6D136 L140 S141 D293D136-K138 PolarHBondContact O-N 2.88Å; D136-K138 PolarHBondContact OD1-N 2.8Å; D136-K138 VanDerWaalsContact OD1-N 3.12Å; K138-L140 VanDerWaalsContact C-N 3.3Å; K138-S141 PolarHBondContact O-N 3.09Å; K138-D293 VanDerWaalsContact NZ-CA 3.28Å; K138-D293 PolarHBondContact NZ-O 2.8Å; K138-D293 IonicContact NZ-OD1 2.6Å; K138-D293 PolarHBondContact NZ-OD1 2.89Å; K138-D293 IonicContact NZ-OD2 3.3Å
139A83.4Confident85.9Confident25 Ų2556.3 Ų56.321%0.20732%0.318CS..THydrogen-bonded Turntrans-67.6-33.2176.100000112F41 D136F41-A139 WeakPolarHBondContact CB-O 3.39Å; F41-A139 HydrophobicContact CD1-CB 3.82Å; F41-A139 WeakPolarHBondContact CD2-O 3.42Å; F41-A139 HydrophobicContact CE1-CB 4.13Å; F41-A139 HydrophobicContact CG-CB 4.06Å; F41-A139 WeakPolarHBondContact CG-O 3.22Å; D136-A139 HydrophobicContact CB-CB 4.06Å; D136-A139 VanDerWaalsContact CG-CB 3.41Å; D136-A139 PolarHBondContact O-N 2.96Å; D136-A139 PolarHBondContact OD1-N 2.8Å; D136-A139 WeakPolarHBondContact OD2-CB 3.33Å
140L86.1Confident85.5Confident16 Ų1659.8 Ų59.88%0.08433%0.333CS..THydrogen-bonded Turntrans-87.40.1-179.9-67.7167.6000114.1F41 V43 Y130 Y133 D136 K138F41-L140 HydrophobicContact CB-CD2 3.88Å; V43-L140 HydrophobicContact CG1-CD1 3.83Å; V43-L140 HydrophobicContact CG1-CD2 4.08Å; Y130-L140 HydrophobicContact CD2-CD1 4.09Å; Y130-L140 HydrophobicContact CD2-CD2 3.98Å; Y130-L140 HydrophobicContact CD2-CG 4.11Å; Y130-L140 HydrophobicContact CG-CD1 4.23Å; Y133-L140 HydrophobicContact CD2-CB 4.01Å; Y133-L140 HydrophobicContact CD2-CD1 4.19Å; Y133-L140 HydrophobicContact CE2-CB 3.56Å; Y133-L140 WeakPolarHBondContact CE2-O 3.41Å; Y133-L140 PolarHBondContact OH-O 2.92Å; D136-L140 VanDerWaalsContact O-CB 3.32Å; D136-L140 WeakPolarHBondContact O-CB 3.49Å; D136-L140 WeakPolarHBondContact O-CD1 3.4Å; D136-L140 WeakPolarHBondContact O-CG 3.07Å; D136-L140 PolarHBondContact O-N 2.79Å; K138-L140 VanDerWaalsContact C-N 3.3Å
141S85.6Confident85Confident11 Ų1162.7 Ų62.78%0.07735%0.353CS..EExtended strand (participates in β ladder)trans-111.1141.8178.3-66.50000112.7Y133 V137 K138 A218Y133-S141 PolarHBondContact OH-OG 3.24Å; V137-S141 WeakPolarHBondContact O-CB 3.43Å; V137-S141 PolarHBondContact O-N 2.75Å; V137-S141 VanDerWaalsContact O-N 3.08Å; V137-S141 PolarHBondContact O-OG 2.8Å; K138-S141 PolarHBondContact O-N 3.09Å; S141-A218 CarbonylContact C-O 3.48Å; S141-A218 WeakPolarHBondContact CA-O 3.48Å
142Y82Confident84.7Confident66 Ų6655.9 Ų55.926%0.25932%0.321SS..EExtended strand (participates in β ladder)trans-79.8119.1160.3-64.7-92.4000108.7P157 R217 A218 Y219 L220Y142-P157 HydrophobicContact CD2-CB 4.38Å; Y142-P157 HydrophobicContact CD2-CG 3.6Å; Y142-P157 HydrophobicContact CE1-CB 4.46Å; Y142-P157 HydrophobicContact CE2-CB 4.07Å; Y142-P157 HydrophobicContact CE2-CG 3.44Å; Y142-P157 VanDerWaalsContact CE2-CG 3.44Å; Y142-P157 HydrophobicContact CG-CG 4.28Å; Y142-R217 HydrophobicContact CE2-CB 4.49Å; Y142-A218 WeakPolarHBondContact CD2-O 3.12Å; Y142-A218 PolarHBondContact N-O 3.28Å; Y142-Y219 HydrophobicContact CG-CE1 4.32Å; Y142-Y219 CarbonylContact O-C 3.6Å; Y142-Y219 VanDerWaalsContact O-CA 3.26Å; Y142-Y219 WeakPolarHBondContact O-CA 3.41Å; Y142-L220 PolarHBondContact O-N 2.93Å
143P84.1Confident84.7Confident98 Ų9858 Ų5864%0.63633%0.325SS*.EExtended strand (participates in β ladder)trans-69.7134.4179.928.8-33.6000110.4
144W83.6Confident84.9Confident71 Ų7156.4 Ų56.427%0.26932%0.319SS..EExtended strand (participates in β ladder)trans-134.4129.5175.5-168.9-74.1000110.2V152 F154 Y219 L220 L221 H222W144-V152 HydrophobicContact CZ2-CG1 4.21Å; W144-F154 HydrophobicContact CB-CE1 4.09Å; W144-F154 HydrophobicContact CD2-CD1 4.35Å; W144-F154 AromaticContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CE3-CD1 4.34Å; W144-F154 AromaticContact CE3-CE1 3.99Å; W144-F154 HydrophobicContact CE3-CE1 3.99Å; W144-F154 AromaticContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CZ 4.23Å; W144-Y219 HydrophobicContact CB-CD1 4.39Å; W144-Y219 HydrophobicContact CE3-CD1 4.16Å; W144-Y219 AromaticContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CZ3-CE1 4.45Å; W144-L220 PolarHBondContact N-O 2.76Å; W144-L221 HydrophobicContact CB-CD1 4.36Å; W144-L221 VanDerWaalsContact CD1-CD1 3.48Å; W144-L221 HydrophobicContact CG-CD1 4.22Å; W144-L221 CarbonylContact O-C 3.6Å; W144-L221 WeakPolarHBondContact O-CA 3.18Å; W144-H222 PolarHBondContact O-N 2.86Å
145S83Confident85.1Confident56 Ų5657.7 Ų57.739%0.39232%0.316SS..EExtended strand (participates in β ladder)trans-110.9133174.8-69.50000110.1H222S145-H222 WeakPolarHBondContact CA-O 3.21Å
146A80Confident85.2Confident2 Ų255.5 Ų55.52%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-136.7150.2175.400000111.1E150 V152 V192 L221 H222 V223 E224A146-E150 WeakPolarHBondContact CA-OE2 3.42Å; A146-V152 HydrophobicContact CB-CG2 3.53Å; A146-V192 HydrophobicContact CB-CG1 4.28Å; A146-V192 HydrophobicContact CB-CG2 4.3Å; A146-L221 HydrophobicContact CB-CD1 3.88Å; A146-H222 PolarHBondContact N-O 2.81Å; A146-V223 CarbonylContact O-C 3.57Å; A146-V223 VanDerWaalsContact O-CA 3.3Å; A146-V223 WeakPolarHBondContact O-CA 3.4Å; A146-E224 PolarHBondContact O-N 2.84Å
147K82.1Confident85.2Confident135 Ų13553.7 Ų53.759%0.58729%0.289SS*.EExtended strand (participates in β ladder)trans-90.2154.2175.3-66.7179.2-176.91750111.7G149 E150 E224K147-G149 PolarHBondContact O-N 2.97Å; K147-E150 PolarHBondContact N-OE2 2.79Å; K147-E150 WeakPolarHBondContact O-CB 3.28Å; K147-E150 PolarHBondContact O-N 2.82Å; K147-E224 CarbonylContact C-O 3.54Å; K147-E224 VanDerWaalsContact CA-O 3.3Å; K147-E224 WeakPolarHBondContact CA-O 3.43Å
148V88.3Confident85.2Confident48 Ų4854.5 Ų54.529%0.29130%0.299SS..THydrogen-bonded Turntrans-56.2128.9170.9178.10000109.7V192 L194 V223 E224V148-V192 CarbonylContact C-O 3.53Å; V148-V192 VanDerWaalsContact CA-O 3.29Å; V148-V192 WeakPolarHBondContact CA-O 3.13Å; V148-L194 HydrophobicContact CG2-CD2 4.31Å; V148-L194 HydrophobicContact CG2-CG 4.15Å; V148-V223 HydrophobicContact CG2-CG1 3.89Å; V148-E224 PolarHBondContact N-O 2.85Å
149G86.9Confident85.3Confident48 Ų4852.3 Ų52.350%0.49529%0.291SS..THydrogen-bonded Turntrans88.7-8.8-177.100000115.5K147 V192K147-G149 PolarHBondContact O-N 2.97Å; G149-V192 PolarHBondContact N-O 3.46Å
150E87.5Confident85.3Confident83 Ų8355.2 Ų55.239%0.38832%0.323SS..  trans-69.8153.6176.3-167.1172.7169.700111.7A146 K147 A191 V192A146-E150 WeakPolarHBondContact CA-OE2 3.42Å; K147-E150 PolarHBondContact N-OE2 2.79Å; K147-E150 WeakPolarHBondContact O-CB 3.28Å; K147-E150 PolarHBondContact O-N 2.82Å; E150-A191 WeakPolarHBondContact O-CA 3.43Å; E150-A191 PolarHBondContact O-N 2.8Å; E150-V192 VanDerWaalsContact O-CG2 3.28Å; E150-V192 WeakPolarHBondContact O-CG2 3.39Å; E150-V192 PolarHBondContact O-N 2.81Å
151N84.8Confident85.2Confident116 Ų11660.5 Ų60.562%0.6234%0.342SS*.  trans-100.1117.9172.1-69-24.1000109P190 A191N151-P190 VanDerWaalsContact OD1-CA 3.29Å; N151-P190 WeakPolarHBondContact OD1-CA 3.24Å; N151-A191 PolarHBondContact OD1-N 3.16Å
152V87.5Confident85.2Confident3 Ų361 Ų612%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-106.4136.7179.4173.40000109.9W144 A146 F154 T188 I189 V192W144-V152 HydrophobicContact CZ2-CG1 4.21Å; A146-V152 HydrophobicContact CB-CG2 3.53Å; V152-F154 HydrophobicContact CG1-CD1 4.05Å; V152-F154 HydrophobicContact CG1-CD2 4.27Å; V152-F154 HydrophobicContact CG1-CE1 3.65Å; V152-F154 HydrophobicContact CG1-CE2 3.92Å; V152-F154 HydrophobicContact CG1-CG 4.34Å; V152-F154 HydrophobicContact CG1-CZ 3.59Å; V152-T188 CarbonylContact O-C 3.56Å; V152-T188 WeakPolarHBondContact O-CA 3.4Å; V152-I189 HydrophobicContact CB-CB 4.4Å; V152-I189 PolarHBondContact N-O 2.94Å; V152-I189 PolarHBondContact O-N 2.88Å; V152-V192 HydrophobicContact CB-CG2 4.18Å; V152-V192 HydrophobicContact CG2-CG2 3.64Å
153E90.4Very high84.4Confident90 Ų9065.6 Ų65.642%0.42137%0.372SS..EExtended strand (participates in β ladder)trans-125.3121.4171.4-175.6170.5-17000109.9H155 T186 L187E153-H155 IonicContact OE1-CE1 2.79Å; E153-T186 WeakPolarHBondContact OE1-CB 3.29Å; E153-T186 PolarHBondContact OE1-OG1 3.31Å; E153-L187 CarbonylContact C-O 3.56Å; E153-L187 WeakPolarHBondContact CA-O 3.37Å
154F87.7Confident83.6Confident0 Ų068 Ų680%037%0.372CS..EExtended strand (participates in β ladder)trans-100.5127.1176.4-64.3-53.9000111.3W144 V152 W171 T186 L187 I189 Y200 Y219 L221W144-F154 HydrophobicContact CB-CE1 4.09Å; W144-F154 HydrophobicContact CD2-CD1 4.35Å; W144-F154 AromaticContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CD2-CE1 3.62Å; W144-F154 HydrophobicContact CE3-CD1 4.34Å; W144-F154 AromaticContact CE3-CE1 3.99Å; W144-F154 HydrophobicContact CE3-CE1 3.99Å; W144-F154 AromaticContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CE1 3.67Å; W144-F154 HydrophobicContact CG-CZ 4.23Å; V152-F154 HydrophobicContact CG1-CD1 4.05Å; V152-F154 HydrophobicContact CG1-CD2 4.27Å; V152-F154 HydrophobicContact CG1-CE1 3.65Å; V152-F154 HydrophobicContact CG1-CE2 3.92Å; V152-F154 HydrophobicContact CG1-CG 4.34Å; V152-F154 HydrophobicContact CG1-CZ 3.59Å; F154-W171 HydrophobicContact CB-CH2 3.57Å; F154-W171 HydrophobicContact CB-CZ2 4Å; F154-W171 HydrophobicContact CB-CZ3 4.04Å; F154-W171 WeakPolarHBondContact O-CZ2 2.97Å; F154-T186 WeakPolarHBondContact O-CA 3.47Å; F154-L187 HydrophobicContact CB-CB 4.29Å; F154-L187 HydrophobicContact CD2-CD2 3.98Å; F154-L187 HydrophobicContact CD2-CG 4.34Å; F154-L187 PolarHBondContact N-O 2.85Å; F154-L187 PolarHBondContact O-N 2.79Å; F154-I189 HydrophobicContact CD2-CD1 4.37Å; F154-I189 HydrophobicContact CE2-CD1 3.79Å; F154-Y200 HydrophobicContact CD2-CG 4.42Å; F154-Y200 AromaticContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CE2 4.44Å; F154-Y200 AromaticContact CE2-CG 3.96Å; F154-Y200 HydrophobicContact CE2-CG 3.96Å; F154-Y219 HydrophobicContact CB-CD2 4.15Å; F154-Y219 HydrophobicContact CB-CE2 4.09Å; F154-Y219 HydrophobicContact CD1-CD1 4.22Å; F154-Y219 AromaticContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CE1 4.45Å; F154-Y219 AromaticContact CD1-CE2 3.84Å; F154-Y219 HydrophobicContact CD1-CE2 3.84Å; F154-Y219 AromaticContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CD1 4.14Å; F154-Y219 HydrophobicContact CE1-CD2 4.05Å; F154-Y219 AromaticContact CE1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CG 3.78Å; F154-Y219 AromaticContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CE2 4.23Å; F154-Y219 HydrophobicContact CG-CG 4.46Å; F154-Y219 HydrophobicContact CZ-CG 4.46Å; F154-L221 HydrophobicContact CE2-CD2 4.46Å; F154-L221 HydrophobicContact CZ-CB 4.27Å; F154-L221 HydrophobicContact CZ-CD1 4.27Å; F154-L221 HydrophobicContact CZ-CD2 4.29Å
155H89.1Confident82.9Confident107 Ų10768.2 Ų68.250%0.49538%0.382SS..PPolyproline II helixtrans-101.4145.7163.9-58.4-71.8000109E153 P157 T186 Y219E153-H155 IonicContact OE1-CE1 2.79Å; H155-P157 VanDerWaalsContact O-CD 3.24Å; H155-P157 WeakPolarHBondContact O-CD 3.27Å; H155-T186 VanDerWaalsContact CE1-CG2 3.49Å; H155-T186 WeakPolarHBondContact CE1-CG2 3.45Å; H155-T186 WeakPolarHBondContact ND1-CG2 3.45Å; H155-Y219 VanDerWaalsContact O-CE2 3.28Å; H155-Y219 WeakPolarHBondContact O-CE2 3.43Å; H155-Y219 PolarHBondContact O-OH 2.93Å; H155-Y219 VanDerWaalsContact O-OH 3.05Å
156C87.5Confident81.9Confident15 Ų1567.2 Ų67.210%0.10138%0.38CS..PPolyproline II helixtrans-72.3117.2179-167.80000109.6L159 I169 W171 C202C156-L159 HydrophobicContact CB-CD1 3.61Å; C156-L159 HydrophobicContact CB-CG 4.23Å; C156-L159 WeakPolarHBondContact O-CG 3.34Å; C156-I169 HydrophobicContact CB-CD1 4.15Å; C156-I169 HydrophobicContact CB-CG2 4.32Å; C156-W171 HydrophobicContact CB-CZ2 4.18Å; C156-C202 VanDerWaalsContact CA-SG 3.52Å; C156-C202 HydrophobicContact CB-CB 3.69Å; C156-C202 WeakPolarHBondContact CB-SG 3.28Å; C156-C202 WeakPolarHBondContact SG-CB 3.29Å; C156-C202 CovalentContact SG-SG 2.04Å; C156-C202 PolarHBondContact SG-SG 3.33Å
157P86.6Confident81.6Confident20 Ų2074.3 Ų74.313%0.1341%0.406CS..SBendtrans-76.6165-169.429.6-35.4000112.4Y142 H155 L159 R217 Y219Y142-P157 HydrophobicContact CD2-CB 4.38Å; Y142-P157 HydrophobicContact CD2-CG 3.6Å; Y142-P157 HydrophobicContact CE1-CB 4.46Å; Y142-P157 HydrophobicContact CE2-CB 4.07Å; Y142-P157 HydrophobicContact CE2-CG 3.44Å; Y142-P157 VanDerWaalsContact CE2-CG 3.44Å; Y142-P157 HydrophobicContact CG-CG 4.28Å; H155-P157 VanDerWaalsContact O-CD 3.24Å; H155-P157 WeakPolarHBondContact O-CD 3.27Å; P157-L159 VanDerWaalsContact C-N 3.28Å; P157-L159 PolarHBondContact O-N 2.82Å; P157-L159 VanDerWaalsContact O-N 3.15Å; P157-R217 HydrophobicContact CG-CB 3.7Å; P157-R217 HydrophobicContact CG-CG 4.14Å; P157-R217 WeakPolarHBondContact O-CG 3.43Å; P157-Y219 HydrophobicContact CG-CE2 4.22Å
158A82.4Confident81.5Confident54 Ų5471.3 Ų71.345%0.44640%0.401SS..SBendtrans51.940.3171.700000115
159L83.1Confident81.5Confident35 Ų3570.2 Ų70.218%0.18339%0.393CS..  trans-99.8-7.2176.6-64.2-170.4000114.6C156 P157 R161 F162 I169 L204 V215C156-L159 HydrophobicContact CB-CD1 3.61Å; C156-L159 HydrophobicContact CB-CG 4.23Å; C156-L159 WeakPolarHBondContact O-CG 3.34Å; P157-L159 VanDerWaalsContact C-N 3.28Å; P157-L159 PolarHBondContact O-N 2.82Å; P157-L159 VanDerWaalsContact O-N 3.15Å; L159-R161 PolarHBondContact O-N 3.22Å; L159-F162 HydrophobicContact CD2-CD2 4.33Å; L159-F162 PolarHBondContact O-N 3.04Å; L159-I169 HydrophobicContact CD1-CD1 3.92Å; L159-L204 HydrophobicContact CD1-CD1 4.21Å; L159-L204 HydrophobicContact CD1-CD2 4.27Å; L159-L204 HydrophobicContact CD2-CD1 4.12Å; L159-L204 HydrophobicContact CD2-CD2 3.81Å; L159-V215 HydrophobicContact CD2-CG1 4.15Å
160G82.8Confident81.7Confident85 Ų8571.6 Ų71.688%0.87639%0.387SS*.THydrogen-bonded Turntrans-57.9-20.2-170.300000116.1
161R84.8Confident81.9Confident127 Ų12767.6 Ų67.648%0.47937%0.368SS..THydrogen-bonded Turntrans-91.2-8.3176.8-62.1-67.7177.5175.5-9.1113.8I49 H51 E96 L159I49-R161 HydrophobicContact CD1-CB 4.11Å; H51-R161 PolarHBondContact CE1-NH2 2.93Å; H51-R161 PolarHBondContact NE2-NH2 3.06Å; E96-R161 WeakPolarHBondContact OE1-CD 3.45Å; E96-R161 IonicContact OE1-CZ 3.8Å; E96-R161 IonicContact OE1-NE 3.62Å; E96-R161 PolarHBondContact OE1-NE 2.92Å; E96-R161 IonicContact OE1-NH1 3.86Å; E96-R161 PolarHBondContact OE1-NH1 3.26Å; E96-R161 IonicContact OE1-NH2 3.18Å; L159-R161 PolarHBondContact O-N 3.22Å
162F84.7Confident82.1Confident23 Ų2362.4 Ų62.410%0.10134%0.34CS..  trans-102.392.4178.7-61.1-68000110.3A47 I49 L159 V206 I208 V215A47-F162 HydrophobicContact CB-CE1 4.05Å; A47-F162 HydrophobicContact CB-CZ 4.34Å; I49-F162 HydrophobicContact CD1-CD1 4.1Å; I49-F162 HydrophobicContact CD1-CE1 3.62Å; I49-F162 HydrophobicContact CD1-CZ 4.09Å; I49-F162 HydrophobicContact CG1-CE1 4.07Å; I49-F162 HydrophobicContact CG1-CZ 4.21Å; L159-F162 HydrophobicContact CD2-CD2 4.33Å; L159-F162 PolarHBondContact O-N 3.04Å; F162-V206 HydrophobicContact CB-CB 4.46Å; F162-V206 HydrophobicContact CB-CG1 3.75Å; F162-V206 HydrophobicContact CD1-CB 4.11Å; F162-V206 HydrophobicContact CD1-CG1 3.94Å; F162-V206 HydrophobicContact CD1-CG2 3.84Å; F162-V206 HydrophobicContact CE1-CG2 4.12Å; F162-V206 HydrophobicContact CG-CB 4.49Å; F162-V206 HydrophobicContact CG-CG1 3.85Å; F162-I208 HydrophobicContact CD1-CD1 4.34Å; F162-I208 HydrophobicContact CE1-CD1 4.18Å; F162-V215 HydrophobicContact CD2-CG2 4.47Å; F162-V215 HydrophobicContact CE1-CG2 4.19Å; F162-V215 HydrophobicContact CE2-CG1 4.1Å; F162-V215 HydrophobicContact CE2-CG2 4.05Å; F162-V215 HydrophobicContact CZ-CG2 3.89Å
163N66.2Low82.2Confident161 Ų16164.2 Ų64.286%0.86135%0.348SS*.  trans-79.7-18.2-173.4-158.1-2.1000113.8
164K67.3Low81.9Confident148 Ų14862.4 Ų62.464%0.64334%0.341SS*.  trans-126.5106.9-178-67.1-177.3-179.3178.40111.3V206 L207K164-V206 WeakPolarHBondContact O-CA 3.43Å; K164-L207 HydrophobicContact CB-CB 4.31Å; K164-L207 PolarHBondContact O-N 3.41Å
165T67.4Low81.3Confident77 Ų7768.5 Ų68.547%0.47237%0.368SS..BIsolated β-bridgetrans-90.5124.9168.556.80000109.1R167 L204 T205T165-R167 VanDerWaalsContact C-N 3.3Å; T165-L204 HydrophobicContact CG2-CD1 3.6Å; T165-T205 CarbonylContact C-O 3.58Å
166G62.9Low80.7Confident35 Ų3568.5 Ų68.536%0.36137%0.371SS..SBendtrans-78.4-16.4177.900000113.3T205 L207G166-T205 PolarHBondContact N-O 3.31Å; G166-L207 VanDerWaalsContact CA-CD1 3.49Å
167R72.9Confident79.9Confident150 Ų15072.8 Ų72.857%0.56640%0.402SS*.SBendtrans-146.5157.2-178.4-70.3-169-179.9-161.70.1110.4T165T165-R167 VanDerWaalsContact C-N 3.3Å
168P81.4Confident79.6Confident73 Ų7375.1 Ų75.147%0.47442%0.423SS..  trans-60.5154.8173.626.5-34.7000111.4
169I87.8Confident79.5Confident24 Ų2475.1 Ų75.112%0.12342%0.418CS..  trans-69.3131.1174.7-60.6169.7000108.5C156 L159 A185 C202 L204C156-I169 HydrophobicContact CB-CD1 4.15Å; C156-I169 HydrophobicContact CB-CG2 4.32Å; L159-I169 HydrophobicContact CD1-CD1 3.92Å; I169-A185 HydrophobicContact CD1-CB 4.31Å; I169-C202 HydrophobicContact CG2-CB 3.75Å; I169-L204 HydrophobicContact CG1-CB 4.17Å
170E90.2Very high79.3Confident77 Ų7777.2 Ų77.236%0.3643%0.429SS..EExtended strand (participates in β ladder)trans-111126.6177.8-68.1178.2175.900110C202 R203E170-C202 CarbonylContact O-C 3.49Å; E170-C202 WeakPolarHBondContact O-CA 3.42Å; E170-R203 PolarHBondContact N-O 2.89Å; E170-R203 PolarHBondContact O-N 2.96Å
171W91.4Very high78.8Confident0 Ų076.2 Ų76.20%040%0.401CS..EExtended strand (participates in β ladder)trans-100.4131.4178.8-7495.1000111.4F154 C156 P179 L180 A185 L187 T201 C202 Y219F154-W171 HydrophobicContact CB-CH2 3.57Å; F154-W171 HydrophobicContact CB-CZ2 4Å; F154-W171 HydrophobicContact CB-CZ3 4.04Å; F154-W171 WeakPolarHBondContact O-CZ2 2.97Å; C156-W171 HydrophobicContact CB-CZ2 4.18Å; W171-P179 CarbonylContact O-C 3.57Å; W171-P179 VanDerWaalsContact O-CA 3.31Å; W171-P179 WeakPolarHBondContact O-CA 3.09Å; W171-L180 PolarHBondContact O-N 2.88Å; W171-A185 PolarHBondContact NE1-O 2.81Å; W171-L187 HydrophobicContact CB-CB 4.34Å; W171-L187 HydrophobicContact CB-CD2 4.18Å; W171-L187 HydrophobicContact CD2-CB 3.63Å; W171-L187 HydrophobicContact CD2-CD2 4.05Å; W171-L187 HydrophobicContact CD2-CG 4.47Å; W171-L187 HydrophobicContact CE3-CB 4.16Å; W171-L187 HydrophobicContact CE3-CD2 3.87Å; W171-L187 HydrophobicContact CG-CB 3.71Å; W171-L187 HydrophobicContact CG-CD2 4.22Å; W171-L187 HydrophobicContact CG-CG 4.46Å; W171-L187 HydrophobicContact CZ2-CB 4.38Å; W171-T201 WeakPolarHBondContact CA-O 3.42Å; W171-C202 HydrophobicContact CD2-CB 3.86Å; W171-C202 HydrophobicContact CE3-CB 3.81Å; W171-C202 HydrophobicContact CH2-CB 3.74Å; W171-C202 HydrophobicContact CZ2-CB 3.79Å; W171-C202 HydrophobicContact CZ3-CB 3.75Å; W171-Y219 HydrophobicContact CH2-CD2 4.15Å; W171-Y219 HydrophobicContact CH2-CE2 4.06Å; W171-Y219 HydrophobicContact CZ3-CD2 4.19Å
172H89.9Confident77.9Confident6 Ų675.1 Ų75.13%0.02841%0.41CS..EExtended strand (participates in β ladder)trans-121.8140.7177.3-62.2-91000110N176 S177 A178 Y200 T201H172-N176 PolarHBondContact ND1-O 3Å; H172-S177 PolarHBondContact CE1-O 2.78Å; H172-S177 VanDerWaalsContact CE1-O 3.26Å; H172-S177 PolarHBondContact ND1-O 2.78Å; H172-A178 PolarHBondContact ND1-O 2.85Å; H172-Y200 CarbonylContact O-C 3.51Å; H172-Y200 WeakPolarHBondContact O-CA 3.45Å; H172-T201 PolarHBondContact N-O 2.83Å; H172-T201 PolarHBondContact O-N 2.86Å
173K89.9Confident76.9Confident41 Ų4176.9 Ų76.918%0.17844%0.435CS..EExtended strand (participates in β ladder)trans-99.1131.4169.8-165-178.8-178.4-76.30109.1N176 L180 A197 V199 Y200K173-N176 WeakPolarHBondContact O-CB 3.43Å; K173-N176 PolarHBondContact O-N 3.05Å; K173-L180 HydrophobicContact CB-CD1 3.75Å; K173-L180 HydrophobicContact CB-CD2 3.94Å; K173-L180 HydrophobicContact CB-CG 4.17Å; K173-A197 PolarHBondContact NZ-O 2.85Å; K173-V199 CarbonylContact C-O 3.57Å; K173-V199 WeakPolarHBondContact CA-O 3.46Å; K173-Y200 HydrophobicContact CB-CD1 4.29Å; K173-Y200 HydrophobicContact CB-CE1 4.09Å; K173-Y200 HydrophobicContact CD-CE1 3.86Å; K173-Y200 WeakPolarHBondContact CE-OH 3.47Å; K173-Y200 HydrophobicContact CG-CD1 4.14Å; K173-Y200 HydrophobicContact CG-CE1 3.71Å; K173-Y200 HydrophobicContact CG-CE2 4.36Å
174D83Confident77Confident52 Ų5275.7 Ų75.728%0.27842%0.419SS..THydrogen-bonded Turntrans53.9-146.1-179-53.4-47.4000110.5N176 G198 V199D174-N176 PolarHBondContact O-N 3.08Å; D174-G198 WeakPolarHBondContact OD1-CA 3.4Å; D174-V199 PolarHBondContact N-O 3.36Å; D174-V199 PolarHBondContact OD1-N 2.81Å
175F75.8Confident77.6Confident129 Ų12971.3 Ų71.357%0.56641%0.41SS*.THydrogen-bonded Turntrans-87.715.6178.6-58.5-76.3000113.2Y133 V137Y133-F175 AromaticContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CE1 3.95Å; Y133-F175 HydrophobicContact CD1-CZ 4.35Å; V137-F175 HydrophobicContact CG2-CZ 4.18Å
176N76.8Confident78.4Confident107 Ų10769.1 Ų69.157%0.57240%0.397SS*.  trans-75.6136.9-179-72.9-25.9000112.2H172 K173 D174 A178H172-N176 PolarHBondContact ND1-O 3Å; K173-N176 WeakPolarHBondContact O-CB 3.43Å; K173-N176 PolarHBondContact O-N 3.05Å; D174-N176 PolarHBondContact O-N 3.08Å; N176-A178 VanDerWaalsContact C-N 3.35Å; N176-A178 PolarHBondContact O-N 2.81Å
177S70.3Confident79.6Confident105 Ų10567.7 Ų67.773%0.73438%0.381SS*.SBendtrans-77-18.4-177.9-530000113.9H172H172-S177 PolarHBondContact CE1-O 2.78Å; H172-S177 VanDerWaalsContact CE1-O 3.26Å; H172-S177 PolarHBondContact ND1-O 2.78Å
178A79.9Confident80.5Confident69 Ų6962.6 Ų62.657%0.5737%0.366SS*.SBendtrans-80.2132-178.900000111.5H172 N176H172-A178 PolarHBondContact ND1-O 2.85Å; N176-A178 VanDerWaalsContact C-N 3.35Å; N176-A178 PolarHBondContact O-N 2.81Å
179P81Confident80.9Confident54 Ų5459.7 Ų59.735%0.35135%0.347SS..  trans-73.3139.4175.628.9-32.6000111.1W171W171-P179 CarbonylContact O-C 3.57Å; W171-P179 VanDerWaalsContact O-CA 3.31Å; W171-P179 WeakPolarHBondContact O-CA 3.09Å
180L79.6Confident81.1Confident78 Ų7862.7 Ų62.741%0.40837%0.368SS..SBendtrans-71.7-39.6-178.6-67.6169.5000112.8W171 K173 L187 Y200W171-L180 PolarHBondContact O-N 2.88Å; K173-L180 HydrophobicContact CB-CD1 3.75Å; K173-L180 HydrophobicContact CB-CD2 3.94Å; K173-L180 HydrophobicContact CB-CG 4.17Å; L180-L187 HydrophobicContact CB-CD1 4.38Å; L180-L187 HydrophobicContact CD1-CD1 4.15Å; L180-L187 HydrophobicContact CD1-CD2 3.89Å; L180-Y200 HydrophobicContact CD1-CD1 3.84Å; L180-Y200 HydrophobicContact CD1-CE1 3.82Å
181Q71.5Confident81.2Confident65 Ų6561.4 Ų61.430%0.30437%0.37SS..SBendtrans-148.783.8-177-64.8-171.826.900110.1G183 L187Q181-G183 PolarHBondContact O-N 3.15Å; Q181-L187 HydrophobicContact CG-CD1 4.46Å
182P67.1Low81.1Confident103 Ų10361.5 Ų61.567%0.66937%0.371SS*.THydrogen-bonded Turntrans-62.9129.4-178.423.3-30.9000111.3
183G62.7Low81.1Confident60 Ų6066.6 Ų66.662%0.61939%0.393SS*.THydrogen-bonded Turntrans93.4-5.2173.400000116.5Q181Q181-G183 PolarHBondContact O-N 3.15Å
184R69.1Low81Confident137 Ų13768 Ų6852%0.51740%0.402SS..  trans-102127.3172.4-166.8-177-77.7-138.6-1.7110.4T186R184-T186 VanDerWaalsContact C-N 3.28Å; R184-T186 WeakPolarHBondContact CD-O 3.23Å; R184-T186 VanDerWaalsContact CG-O 3.27Å; R184-T186 WeakPolarHBondContact CG-O 3.32Å; R184-T186 PolarHBondContact O-N 3.05Å
185A78.6Confident81.3Confident56 Ų5669.6 Ų69.646%0.46342%0.417SS..SBendtrans-67-30.4179.900000113I169 W171I169-A185 HydrophobicContact CD1-CB 4.31Å; W171-A185 PolarHBondContact NE1-O 2.81Å
186T84.9Confident81.9Confident31 Ų3165.8 Ų65.819%0.1940%0.401CS..SBendtrans-106.2143.1-179.163.20000111.2E153 F154 H155 R184E153-T186 WeakPolarHBondContact OE1-CB 3.29Å; E153-T186 PolarHBondContact OE1-OG1 3.31Å; F154-T186 WeakPolarHBondContact O-CA 3.47Å; H155-T186 VanDerWaalsContact CE1-CG2 3.49Å; H155-T186 WeakPolarHBondContact CE1-CG2 3.45Å; H155-T186 WeakPolarHBondContact ND1-CG2 3.45Å; R184-T186 VanDerWaalsContact C-N 3.28Å; R184-T186 WeakPolarHBondContact CD-O 3.23Å; R184-T186 VanDerWaalsContact CG-O 3.27Å; R184-T186 WeakPolarHBondContact CG-O 3.32Å; R184-T186 PolarHBondContact O-N 3.05Å
187L88.9Confident82.4Confident5 Ų562.6 Ų62.63%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-105.5118.1175.1172.365.3000109.4E153 F154 W171 L180 Q181 Y200E153-L187 CarbonylContact C-O 3.56Å; E153-L187 WeakPolarHBondContact CA-O 3.37Å; F154-L187 HydrophobicContact CB-CB 4.29Å; F154-L187 HydrophobicContact CD2-CD2 3.98Å; F154-L187 HydrophobicContact CD2-CG 4.34Å; F154-L187 PolarHBondContact N-O 2.85Å; F154-L187 PolarHBondContact O-N 2.79Å; W171-L187 HydrophobicContact CB-CB 4.34Å; W171-L187 HydrophobicContact CB-CD2 4.18Å; W171-L187 HydrophobicContact CD2-CB 3.63Å; W171-L187 HydrophobicContact CD2-CD2 4.05Å; W171-L187 HydrophobicContact CD2-CG 4.47Å; W171-L187 HydrophobicContact CE3-CB 4.16Å; W171-L187 HydrophobicContact CE3-CD2 3.87Å; W171-L187 HydrophobicContact CG-CB 3.71Å; W171-L187 HydrophobicContact CG-CD2 4.22Å; W171-L187 HydrophobicContact CG-CG 4.46Å; W171-L187 HydrophobicContact CZ2-CB 4.38Å; L180-L187 HydrophobicContact CB-CD1 4.38Å; L180-L187 HydrophobicContact CD1-CD1 4.15Å; L180-L187 HydrophobicContact CD1-CD2 3.89Å; Q181-L187 HydrophobicContact CG-CD1 4.46Å; L187-Y200 HydrophobicContact CD2-CD1 3.34Å; L187-Y200 HydrophobicContact CD2-CE1 3.88Å; L187-Y200 HydrophobicContact CD2-CG 4.16Å
188T90.2Very high83.3Confident43 Ų4358.3 Ų58.326%0.26436%0.362SS..EExtended strand (participates in β ladder)trans-107.4131.2177.8-42.60000110.5V152V152-T188 CarbonylContact O-C 3.56Å; V152-T188 WeakPolarHBondContact O-CA 3.4Å
189I90.7Very high83.8Confident12 Ų1255.6 Ų55.66%0.06234%0.339CS..EExtended strand (participates in β ladder)trans-116.792.6173.1-54.9173.1000107.2V152 F154 V192 H196 Y200 L221V152-I189 HydrophobicContact CB-CB 4.4Å; V152-I189 PolarHBondContact N-O 2.94Å; V152-I189 PolarHBondContact O-N 2.88Å; F154-I189 HydrophobicContact CD2-CD1 4.37Å; F154-I189 HydrophobicContact CE2-CD1 3.79Å; I189-V192 HydrophobicContact CB-CG2 4.38Å; I189-V192 HydrophobicContact CG2-CG2 3.84Å; I189-H196 HydrophobicContact CG2-CB 4.3Å; I189-H196 WeakPolarHBondContact CG2-ND1 3.32Å; I189-Y200 HydrophobicContact CD1-CE1 3.8Å; I189-Y200 HydrophobicContact CD1-CE2 4.1Å; I189-Y200 WeakPolarHBondContact CD1-OH 3.43Å; I189-L221 HydrophobicContact CD1-CD2 3.95Å
190P91.6Very high84.3Confident87 Ų8753.4 Ų53.457%0.56532%0.323SS*.SBendtrans-73.2143.2174.630.8-33.3000110.2N151N151-P190 VanDerWaalsContact OD1-CA 3.29Å; N151-P190 WeakPolarHBondContact OD1-CA 3.24Å
191A91.5Very high84.8Confident50 Ų5050 Ų5041%0.41331%0.306SS..SBendtrans46.270.1177.800000112.9E150 N151 K193E150-A191 WeakPolarHBondContact O-CA 3.43Å; E150-A191 PolarHBondContact O-N 2.8Å; N151-A191 PolarHBondContact OD1-N 3.16Å; A191-K193 PolarHBondContact O-N 3.5Å
192V91.1Very high85.7Confident1 Ų146.9 Ų46.91%0.00629%0.291CS..  trans-50.4137.7-178.1167.80000111.7A146 V148 G149 E150 V152 I189 V223A146-V192 HydrophobicContact CB-CG1 4.28Å; A146-V192 HydrophobicContact CB-CG2 4.3Å; V148-V192 CarbonylContact C-O 3.53Å; V148-V192 VanDerWaalsContact CA-O 3.29Å; V148-V192 WeakPolarHBondContact CA-O 3.13Å; G149-V192 PolarHBondContact N-O 3.46Å; E150-V192 VanDerWaalsContact O-CG2 3.28Å; E150-V192 WeakPolarHBondContact O-CG2 3.39Å; E150-V192 PolarHBondContact O-N 2.81Å; V152-V192 HydrophobicContact CB-CG2 4.18Å; V152-V192 HydrophobicContact CG2-CG2 3.64Å; I189-V192 HydrophobicContact CB-CG2 4.38Å; I189-V192 HydrophobicContact CG2-CG2 3.84Å; V192-V223 HydrophobicContact CG1-CB 4.21Å; V192-V223 HydrophobicContact CG1-CG1 3.54Å; V192-V223 HydrophobicContact CG1-CG2 3.57Å
193K89.9Confident86.8Confident113 Ų11346.8 Ų46.849%0.49128%0.278SS..  trans-120.3160176.6-62.7179.4-178.5178.30109.4A191 S195 H196A191-K193 PolarHBondContact O-N 3.5Å; K193-S195 PolarHBondContact O-N 2.78Å; K193-S195 VanDerWaalsContact O-N 3.15Å; K193-H196 PolarHBondContact N-ND1 3.34Å; K193-H196 VanDerWaalsContact N-ND1 3.15Å; K193-H196 VanDerWaalsContact O-CB 3.32Å; K193-H196 WeakPolarHBondContact O-CB 3.45Å; K193-H196 PolarHBondContact O-N 3.18Å
194L86.5Confident88.1Confident71 Ų7144.3 Ų44.337%0.37225%0.25SS..G310 helixtrans-54.9-34.9175.2-71.7171.4000112.4V148 H196 A197 V223V148-L194 HydrophobicContact CG2-CD2 4.31Å; V148-L194 HydrophobicContact CG2-CG 4.15Å; L194-H196 PolarHBondContact O-N 2.89Å; L194-A197 WeakPolarHBondContact O-CB 3.49Å; L194-A197 PolarHBondContact O-N 2Å; L194-V223 HydrophobicContact CD2-CB 4.37Å; L194-V223 HydrophobicContact CD2-CG1 4.07Å
195S89.4Confident89.2Confident86 Ų8639.1 Ų39.160%0.60123%0.234SC*.G310 helixtrans-66.7-14.917661.50000114.7K193 A197K193-S195 PolarHBondContact O-N 2.78Å; K193-S195 VanDerWaalsContact O-N 3.15Å; S195-A197 VanDerWaalsContact C-N 3.31Å
196H89.4Confident89.8Confident48 Ų4836.5 Ų36.522%0.22221%0.212CC..G310 helixtrans-80.8-11.2175.6-61.1160.8000112.4I189 K193 L194 Y200 L221I189-H196 HydrophobicContact CG2-CB 4.3Å; I189-H196 WeakPolarHBondContact CG2-ND1 3.32Å; K193-H196 PolarHBondContact N-ND1 3.34Å; K193-H196 VanDerWaalsContact N-ND1 3.15Å; K193-H196 VanDerWaalsContact O-CB 3.32Å; K193-H196 WeakPolarHBondContact O-CB 3.45Å; K193-H196 PolarHBondContact O-N 3.18Å; L194-H196 PolarHBondContact O-N 2.89Å; H196-Y200 VanDerWaalsContact O-CE2 3.25Å; H196-Y200 WeakPolarHBondContact O-CE2 3.31Å; H196-Y200 PolarHBondContact O-OH 2.95Å; H196-L221 HydrophobicContact CB-CD2 4.42Å
197A87.5Confident90Very high40 Ų4038 Ų3833%0.33122%0.218SC..  trans-55.5145.7171.700000111.2K173 L194 S195 L221 V223K173-A197 PolarHBondContact NZ-O 2.85Å; L194-A197 WeakPolarHBondContact O-CB 3.49Å; L194-A197 PolarHBondContact O-N 2Å; S195-A197 VanDerWaalsContact C-N 3.31Å; A197-L221 WeakPolarHBondContact CA-O 3.43Å; A197-V223 HydrophobicContact CB-CB 4.39Å; A197-V223 HydrophobicContact CB-CG2 3.99Å
198G88.4Confident90Very high16 Ų1638.5 Ų38.517%0.16522%0.221CC..EExtended strand (participates in β ladder)trans142.9-168.4-178.600000113.5D174 L221D174-G198 WeakPolarHBondContact OD1-CA 3.4Å; G198-L221 PolarHBondContact N-O 2.84Å; G198-L221 VanDerWaalsContact N-O 3.13Å; G198-L221 PolarHBondContact O-N 2.87Å
199V90.3Very high89.8Confident12 Ų1242 Ų427%0.07324%0.238CC..EExtended strand (participates in β ladder)trans-98.4131.4-177-179.90000109.6Y133 V137 K173 D174 A218 Y219 L220Y133-V199 HydrophobicContact CE1-CG1 3.62Å; V137-V199 HydrophobicContact CG1-CG2 3.7Å; K173-V199 CarbonylContact C-O 3.57Å; K173-V199 WeakPolarHBondContact CA-O 3.46Å; D174-V199 PolarHBondContact N-O 3.36Å; D174-V199 PolarHBondContact OD1-N 2.81Å; V199-A218 HydrophobicContact CG1-CB 4.04Å; V199-Y219 CarbonylContact C-O 3.49Å; V199-Y219 VanDerWaalsContact CA-O 3.3Å; V199-Y219 WeakPolarHBondContact CA-O 3.21Å; V199-L220 HydrophobicContact CG2-CD1 4.03Å
200Y90.6Very high89.5Confident7 Ų749 Ų493%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-117.6106.7176.8-71.3-90.7000109.7F154 H172 K173 L180 L187 I189 H196 A218 Y219 L221F154-Y200 HydrophobicContact CD2-CG 4.42Å; F154-Y200 AromaticContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CD2 3.94Å; F154-Y200 HydrophobicContact CE2-CE2 4.44Å; F154-Y200 AromaticContact CE2-CG 3.96Å; F154-Y200 HydrophobicContact CE2-CG 3.96Å; H172-Y200 CarbonylContact O-C 3.51Å; H172-Y200 WeakPolarHBondContact O-CA 3.45Å; K173-Y200 HydrophobicContact CB-CD1 4.29Å; K173-Y200 HydrophobicContact CB-CE1 4.09Å; K173-Y200 HydrophobicContact CD-CE1 3.86Å; K173-Y200 WeakPolarHBondContact CE-OH 3.47Å; K173-Y200 HydrophobicContact CG-CD1 4.14Å; K173-Y200 HydrophobicContact CG-CE1 3.71Å; K173-Y200 HydrophobicContact CG-CE2 4.36Å; L180-Y200 HydrophobicContact CD1-CD1 3.84Å; L180-Y200 HydrophobicContact CD1-CE1 3.82Å; L187-Y200 HydrophobicContact CD2-CD1 3.34Å; L187-Y200 HydrophobicContact CD2-CE1 3.88Å; L187-Y200 HydrophobicContact CD2-CG 4.16Å; I189-Y200 HydrophobicContact CD1-CE1 3.8Å; I189-Y200 HydrophobicContact CD1-CE2 4.1Å; I189-Y200 WeakPolarHBondContact CD1-OH 3.43Å; H196-Y200 VanDerWaalsContact O-CE2 3.25Å; H196-Y200 WeakPolarHBondContact O-CE2 3.31Å; H196-Y200 PolarHBondContact O-OH 2.95Å; Y200-A218 CarbonylContact O-C 3.5Å; Y200-A218 WeakPolarHBondContact O-CA 3.23Å; Y200-Y219 PolarHBondContact N-O 2.79Å; Y200-Y219 PolarHBondContact O-N 2.89Å; Y200-L221 HydrophobicContact CD2-CB 3.99Å; Y200-L221 HydrophobicContact CD2-CD2 4.46Å; Y200-L221 HydrophobicContact CE2-CB 3.89Å; Y200-L221 HydrophobicContact CE2-CD2 3.76Å; Y200-L221 HydrophobicContact CE2-CG 4.46Å
201T91.1Very high89.4Confident6 Ų649.6 Ų49.64%0.03727%0.274CS..EExtended strand (participates in β ladder)trans-102.2119.4-176.4-52.80000110.6W171 H172 R203 R217 A218W171-T201 WeakPolarHBondContact CA-O 3.42Å; H172-T201 PolarHBondContact N-O 2.83Å; H172-T201 PolarHBondContact O-N 2.86Å; T201-R203 HydrophobicContact CG2-CG 4Å; T201-R217 CarbonylContact C-O 3.58Å; T201-R217 VanDerWaalsContact CA-O 3.3Å; T201-R217 WeakPolarHBondContact CA-O 3.23Å; T201-A218 HydrophobicContact CG2-CB 4.27Å
202C90.8Very high89.4Confident0 Ų053.1 Ų53.10%028%0.281CS..EExtended strand (participates in β ladder)trans-84.3131.2163.156.40000109.7C156 I169 E170 W171 S216 R217C156-C202 VanDerWaalsContact CA-SG 3.52Å; C156-C202 HydrophobicContact CB-CB 3.69Å; C156-C202 WeakPolarHBondContact CB-SG 3.28Å; C156-C202 WeakPolarHBondContact SG-CB 3.29Å; C156-C202 CovalentContact SG-SG 2.04Å; C156-C202 PolarHBondContact SG-SG 3.33Å; I169-C202 HydrophobicContact CG2-CB 3.75Å; E170-C202 CarbonylContact O-C 3.49Å; E170-C202 WeakPolarHBondContact O-CA 3.42Å; W171-C202 HydrophobicContact CD2-CB 3.86Å; W171-C202 HydrophobicContact CE3-CB 3.81Å; W171-C202 HydrophobicContact CH2-CB 3.74Å; W171-C202 HydrophobicContact CZ2-CB 3.79Å; W171-C202 HydrophobicContact CZ3-CB 3.75Å; C202-S216 CarbonylContact O-C 3.58Å; C202-S216 WeakPolarHBondContact O-CA 3.28Å; C202-S216 WeakPolarHBondContact O-CB 3.34Å; C202-R217 PolarHBondContact N-O 3.28Å; C202-R217 PolarHBondContact O-N 2.88Å; C202-R217 PolarHBondContact SG-O 3.26Å
203R90.4Very high89.5Confident102 Ų10254.7 Ų54.739%0.38529%0.287SS..EExtended strand (participates in β ladder)trans-121.3135.2176-64-177.2178.6151.8-2.2109E170 T201E170-R203 PolarHBondContact N-O 2.89Å; E170-R203 PolarHBondContact O-N 2.96Å; T201-R203 HydrophobicContact CG2-CG 4Å
204L90.1Very high89.6Confident8 Ų856.7 Ų56.74%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-146.7163.3175.966.2148.8000110.9L159 T165 I169 V206 V215L159-L204 HydrophobicContact CD1-CD1 4.21Å; L159-L204 HydrophobicContact CD1-CD2 4.27Å; L159-L204 HydrophobicContact CD2-CD1 4.12Å; L159-L204 HydrophobicContact CD2-CD2 3.81Å; T165-L204 HydrophobicContact CG2-CD1 3.6Å; I169-L204 HydrophobicContact CG1-CB 4.17Å; L204-V206 HydrophobicContact CD1-CG1 3.79Å; L204-V206 HydrophobicContact CG-CG1 4.47Å; L204-V215 HydrophobicContact CD2-CB 4.09Å; L204-V215 HydrophobicContact CD2-CG1 4.14Å; L204-V215 WeakPolarHBondContact CD2-O 3.18Å; L204-V215 HydrophobicContact CG-CB 4.12Å; L204-V215 PolarHBondContact N-O 2.95Å; L204-V215 PolarHBondContact O-N 3.1Å
205T90.6Very high89.9Confident28 Ų2853.3 Ų53.317%0.17228%0.279CS..EExtended strand (participates in β ladder)trans-114.2126.6172.8-55.20000109T165 G166 Q212 Y213T165-T205 CarbonylContact C-O 3.58Å; G166-T205 PolarHBondContact N-O 3.31Å; T205-Q212 HydrophobicContact CG2-CB 3.6Å; T205-Q212 HydrophobicContact CG2-CG 3.87Å; T205-Y213 CarbonylContact C-O 3.55Å; T205-Y213 WeakPolarHBondContact CA-O 3.44Å
206V91.3Very high90Very high1 Ų150.2 Ų50.21%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-104.5146.5177.3-58.40000110A47 F162 K164 L204 I208 Q212 Y213 V215A47-V206 HydrophobicContact CB-CG2 4.3Å; F162-V206 HydrophobicContact CB-CB 4.46Å; F162-V206 HydrophobicContact CB-CG1 3.75Å; F162-V206 HydrophobicContact CD1-CB 4.11Å; F162-V206 HydrophobicContact CD1-CG1 3.94Å; F162-V206 HydrophobicContact CD1-CG2 3.84Å; F162-V206 HydrophobicContact CE1-CG2 4.12Å; F162-V206 HydrophobicContact CG-CB 4.49Å; F162-V206 HydrophobicContact CG-CG1 3.85Å; K164-V206 WeakPolarHBondContact O-CA 3.43Å; L204-V206 HydrophobicContact CD1-CG1 3.79Å; L204-V206 HydrophobicContact CG-CG1 4.47Å; V206-I208 HydrophobicContact CG2-CD1 3.96Å; V206-I208 HydrophobicContact CG2-CG1 4.23Å; V206-Q212 WeakPolarHBondContact O-CA 3.34Å; V206-Y213 PolarHBondContact N-O 2.93Å; V206-Y213 PolarHBondContact O-N 2.87Å; V206-V215 HydrophobicContact CG1-CG2 3.96Å; V206-V215 HydrophobicContact CG2-CG2 3.87Å
207L90.2Very high90.1Very high62 Ų6248.6 Ų48.633%0.32525%0.249SC..EExtended strand (participates in β ladder)trans-102.9111177.7-81.8161.1000109.6K164 G166 L211 Q212K164-L207 HydrophobicContact CB-CB 4.31Å; K164-L207 PolarHBondContact O-N 3.41Å; G166-L207 VanDerWaalsContact CA-CD1 3.49Å; L207-L211 WeakPolarHBondContact CA-O 3.4Å; L207-Q212 HydrophobicContact CD2-CG 3.74Å; L207-Q212 HydrophobicContact CG-CG 4.46Å
208I88.5Confident90.2Very high15 Ų1546.7 Ų46.78%0.07723%0.233CC..EExtended strand (participates in β ladder)trans-123.8120.4177.6-58168.8000107.5A47 W98 L100 F162 V206 N210 L211 Y213A47-I208 HydrophobicContact CB-CD1 4.25Å; W98-I208 HydrophobicContact CE3-CD1 4.27Å; W98-I208 HydrophobicContact CE3-CG2 4.14Å; W98-I208 HydrophobicContact CZ3-CD1 4.02Å; W98-I208 HydrophobicContact CZ3-CG1 4.26Å; W98-I208 HydrophobicContact CZ3-CG2 3.76Å; L100-I208 HydrophobicContact CD1-CD1 4.38Å; L100-I208 HydrophobicContact CD1-CG2 3.78Å; L100-I208 HydrophobicContact CD2-CD1 3.66Å; F162-I208 HydrophobicContact CD1-CD1 4.34Å; F162-I208 HydrophobicContact CE1-CD1 4.18Å; V206-I208 HydrophobicContact CG2-CD1 3.96Å; V206-I208 HydrophobicContact CG2-CG1 4.23Å; I208-N210 PolarHBondContact O-N 2.82Å; I208-L211 PolarHBondContact N-O 3.18Å; I208-L211 WeakPolarHBondContact O-CB 3.42Å; I208-L211 PolarHBondContact O-N 2.88Å; I208-Y213 HydrophobicContact CB-CD2 3.96Å; I208-Y213 HydrophobicContact CB-CE2 3.93Å; I208-Y213 HydrophobicContact CD1-CD2 4.1Å; I208-Y213 HydrophobicContact CG1-CD2 4.3Å
209N85.5Confident90.1Very high118 Ų11846.5 Ų46.563%0.63123%0.227SC*.THydrogen-bonded Turntrans50.242.8-176.2-59.7-20.7000113.4L211N209-L211 PolarHBondContact O-N 2.81Å; N209-L211 VanDerWaalsContact O-N 3.13Å
210N85.8Confident89.9Confident157 Ų15748.7 Ų48.784%0.8424%0.238SC*.THydrogen-bonded Turntrans61.99-175-62.8-18.6000115.9I208I208-N210 PolarHBondContact O-N 2.82Å
211L89.2Confident89.7Confident101 Ų10148.5 Ų48.553%0.52924%0.238SC..EExtended strand (participates in β ladder)trans-100.7146172.3-64.5173.1000110.3L207 I208 N209 Y213L207-L211 WeakPolarHBondContact CA-O 3.4Å; I208-L211 PolarHBondContact N-O 3.18Å; I208-L211 WeakPolarHBondContact O-CB 3.42Å; I208-L211 PolarHBondContact O-N 2.88Å; N209-L211 PolarHBondContact O-N 2.81Å; N209-L211 VanDerWaalsContact O-N 3.13Å; L211-Y213 HydrophobicContact CB-CD2 4.47Å; L211-Y213 HydrophobicContact CB-CE2 3.61Å; L211-Y213 WeakPolarHBondContact CD1-OH 3.49Å
212Q91.3Very high89.3Confident123 Ų12352.5 Ų52.558%0.57526%0.256SS*.EExtended strand (participates in β ladder)trans-95.6126.6-179.3-73.8-176.529.300110.6T205 V206 L207T205-Q212 HydrophobicContact CG2-CB 3.6Å; T205-Q212 HydrophobicContact CG2-CG 3.87Å; V206-Q212 WeakPolarHBondContact O-CA 3.34Å; L207-Q212 HydrophobicContact CD2-CG 3.74Å; L207-Q212 HydrophobicContact CG-CG 4.46Å
213Y92.3Very high89Confident35 Ų3553 Ų5314%0.13726%0.259CS..EExtended strand (participates in β ladder)trans-124.5142.8176-60.6-84.1000111A47 L100 T205 V206 I208 L211A47-Y213 HydrophobicContact CB-CG 4.11Å; L100-Y213 HydrophobicContact CB-CD1 4.36Å; L100-Y213 HydrophobicContact CB-CE1 3.76Å; L100-Y213 HydrophobicContact CB-CE2 4.39Å; L100-Y213 HydrophobicContact CD1-CE2 4.44Å; T205-Y213 CarbonylContact C-O 3.55Å; T205-Y213 WeakPolarHBondContact CA-O 3.44Å; V206-Y213 PolarHBondContact N-O 2.93Å; V206-Y213 PolarHBondContact O-N 2.87Å; I208-Y213 HydrophobicContact CB-CD2 3.96Å; I208-Y213 HydrophobicContact CB-CE2 3.93Å; I208-Y213 HydrophobicContact CD1-CD2 4.1Å; I208-Y213 HydrophobicContact CG1-CD2 4.3Å; L211-Y213 HydrophobicContact CB-CD2 4.47Å; L211-Y213 HydrophobicContact CB-CE2 3.61Å; L211-Y213 WeakPolarHBondContact CD1-OH 3.49Å
214K92.3Very high88.6Confident154 Ų15449.8 Ų49.867%0.6725%0.248SC*.EExtended strand (participates in β ladder)trans-80.6141.9176.2-64.6179.6-178.1176.70109.8E46 A47E46-K214 CarbonylContact C-O 3.6Å; E46-K214 WeakPolarHBondContact CA-O 3.3Å; E46-K214 WeakPolarHBondContact CB-O 3.39Å; A47-K214 PolarHBondContact N-O 3.02Å
215V92.6Very high87.7Confident1 Ų151.9 Ų51.91%0.00627%0.272CS..EExtended strand (participates in β ladder)trans-136.8131.5169.8178.40000107.1A47 L159 F162 L204 V206A47-V215 HydrophobicContact CB-CG2 4.14Å; L159-V215 HydrophobicContact CD2-CG1 4.15Å; F162-V215 HydrophobicContact CD2-CG2 4.47Å; F162-V215 HydrophobicContact CE1-CG2 4.19Å; F162-V215 HydrophobicContact CE2-CG1 4.1Å; F162-V215 HydrophobicContact CE2-CG2 4.05Å; F162-V215 HydrophobicContact CZ-CG2 3.89Å; L204-V215 HydrophobicContact CD2-CB 4.09Å; L204-V215 HydrophobicContact CD2-CG1 4.14Å; L204-V215 WeakPolarHBondContact CD2-O 3.18Å; L204-V215 HydrophobicContact CG-CB 4.12Å; L204-V215 PolarHBondContact N-O 2.95Å; L204-V215 PolarHBondContact O-N 3.1Å; V206-V215 HydrophobicContact CG1-CG2 3.96Å; V206-V215 HydrophobicContact CG2-CG2 3.87Å
216S91.7Very high86.7Confident21 Ų2154.9 Ų54.915%0.14729%0.294CS..EExtended strand (participates in β ladder)trans-134.8148.3172.277.50000112.3E46 C202E46-S216 VanDerWaalsContact CD-N 3.31Å; E46-S216 WeakPolarHBondContact OE1-CA 3.14Å; E46-S216 WeakPolarHBondContact OE1-CB 3.47Å; E46-S216 PolarHBondContact OE1-N 3.22Å; E46-S216 PolarHBondContact OE1-OG 3.08Å; E46-S216 PolarHBondContact OE2-N 2.63Å; C202-S216 CarbonylContact O-C 3.58Å; C202-S216 WeakPolarHBondContact O-CA 3.28Å; C202-S216 WeakPolarHBondContact O-CB 3.34Å
217R91.3Very high85Confident13 Ų1359.3 Ų59.35%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-141.2155.3174.5-54.4-75.7179.7-94.7-2.9108.1E46 Y142 P157 T201 C202E46-R217 IonicContact OE2-NH1 3.29Å; E46-R217 PolarHBondContact OE2-NH1 2.81Å; Y142-R217 HydrophobicContact CE2-CB 4.49Å; P157-R217 HydrophobicContact CG-CB 3.7Å; P157-R217 HydrophobicContact CG-CG 4.14Å; P157-R217 WeakPolarHBondContact O-CG 3.43Å; T201-R217 CarbonylContact C-O 3.58Å; T201-R217 VanDerWaalsContact CA-O 3.3Å; T201-R217 WeakPolarHBondContact CA-O 3.23Å; C202-R217 PolarHBondContact N-O 3.28Å; C202-R217 PolarHBondContact O-N 2.88Å; C202-R217 PolarHBondContact SG-O 3.26Å
218A89.3Confident83.2Confident0 Ų061.8 Ų61.80%034%0.34CS..EExtended strand (participates in β ladder)trans-145.3144.9-173.700000112.9Y133 S141 Y142 V199 Y200 T201Y133-A218 HydrophobicContact CE1-CB 4.46Å; Y133-A218 HydrophobicContact CE2-CB 3.57Å; Y133-A218 VanDerWaalsContact CZ-CB 3.42Å; Y133-A218 WeakPolarHBondContact OH-CB 3.42Å; S141-A218 CarbonylContact C-O 3.48Å; S141-A218 WeakPolarHBondContact CA-O 3.48Å; Y142-A218 WeakPolarHBondContact CD2-O 3.12Å; Y142-A218 PolarHBondContact N-O 3.28Å; V199-A218 HydrophobicContact CG1-CB 4.04Å; Y200-A218 CarbonylContact O-C 3.5Å; Y200-A218 WeakPolarHBondContact O-CA 3.23Å; T201-A218 HydrophobicContact CG2-CB 4.27Å
219Y87.4Confident81.4Confident13 Ų1365 Ų655%0.05137%0.369CS..EExtended strand (participates in β ladder)trans-101.6143.3169.6-70.6-80000110.2Y142 W144 F154 H155 P157 W171 V199 Y200Y142-Y219 HydrophobicContact CG-CE1 4.32Å; Y142-Y219 CarbonylContact O-C 3.6Å; Y142-Y219 VanDerWaalsContact O-CA 3.26Å; Y142-Y219 WeakPolarHBondContact O-CA 3.41Å; W144-Y219 HydrophobicContact CB-CD1 4.39Å; W144-Y219 HydrophobicContact CE3-CD1 4.16Å; W144-Y219 AromaticContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CE3-CE1 3.99Å; W144-Y219 HydrophobicContact CZ3-CE1 4.45Å; F154-Y219 HydrophobicContact CB-CD2 4.15Å; F154-Y219 HydrophobicContact CB-CE2 4.09Å; F154-Y219 HydrophobicContact CD1-CD1 4.22Å; F154-Y219 AromaticContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CD2 3.57Å; F154-Y219 HydrophobicContact CD1-CE1 4.45Å; F154-Y219 AromaticContact CD1-CE2 3.84Å; F154-Y219 HydrophobicContact CD1-CE2 3.84Å; F154-Y219 AromaticContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CD1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CD1 4.14Å; F154-Y219 HydrophobicContact CE1-CD2 4.05Å; F154-Y219 AromaticContact CE1-CG 3.78Å; F154-Y219 HydrophobicContact CE1-CG 3.78Å; F154-Y219 AromaticContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CD2 3.91Å; F154-Y219 HydrophobicContact CG-CE2 4.23Å; F154-Y219 HydrophobicContact CG-CG 4.46Å; F154-Y219 HydrophobicContact CZ-CG 4.46Å; H155-Y219 VanDerWaalsContact O-CE2 3.28Å; H155-Y219 WeakPolarHBondContact O-CE2 3.43Å; H155-Y219 PolarHBondContact O-OH 2.93Å; H155-Y219 VanDerWaalsContact O-OH 3.05Å; P157-Y219 HydrophobicContact CG-CE2 4.22Å; W171-Y219 HydrophobicContact CH2-CD2 4.15Å; W171-Y219 HydrophobicContact CH2-CE2 4.06Å; W171-Y219 HydrophobicContact CZ3-CD2 4.19Å; V199-Y219 CarbonylContact C-O 3.49Å; V199-Y219 VanDerWaalsContact CA-O 3.3Å; V199-Y219 WeakPolarHBondContact CA-O 3.21Å; Y200-Y219 PolarHBondContact N-O 2.79Å; Y200-Y219 PolarHBondContact O-N 2.89Å
220L86.3Confident79.2Confident57 Ų5765.1 Ų65.130%0.29837%0.373SS..EExtended strand (participates in β ladder)trans-102.6101.6165.3176.861.3000108Y142 W144 V199Y142-L220 PolarHBondContact O-N 2.93Å; W144-L220 PolarHBondContact N-O 2.76Å; V199-L220 HydrophobicContact CG2-CD1 4.03Å
221L85.6Confident76.9Confident3 Ų364.1 Ų64.12%0.01637%0.373CS..EExtended strand (participates in β ladder)trans-83.4115.1179.7-179.858.5000110.4W144 A146 F154 I189 H196 A197 G198 Y200 V223W144-L221 HydrophobicContact CB-CD1 4.36Å; W144-L221 VanDerWaalsContact CD1-CD1 3.48Å; W144-L221 HydrophobicContact CG-CD1 4.22Å; W144-L221 CarbonylContact O-C 3.6Å; W144-L221 WeakPolarHBondContact O-CA 3.18Å; A146-L221 HydrophobicContact CB-CD1 3.88Å; F154-L221 HydrophobicContact CE2-CD2 4.46Å; F154-L221 HydrophobicContact CZ-CB 4.27Å; F154-L221 HydrophobicContact CZ-CD1 4.27Å; F154-L221 HydrophobicContact CZ-CD2 4.29Å; I189-L221 HydrophobicContact CD1-CD2 3.95Å; H196-L221 HydrophobicContact CB-CD2 4.42Å; A197-L221 WeakPolarHBondContact CA-O 3.43Å; G198-L221 PolarHBondContact N-O 2.84Å; G198-L221 VanDerWaalsContact N-O 3.13Å; G198-L221 PolarHBondContact O-N 2.87Å; Y200-L221 HydrophobicContact CD2-CB 3.99Å; Y200-L221 HydrophobicContact CD2-CD2 4.46Å; Y200-L221 HydrophobicContact CE2-CB 3.89Å; Y200-L221 HydrophobicContact CE2-CD2 3.76Å; Y200-L221 HydrophobicContact CE2-CG 4.46Å; L221-V223 HydrophobicContact CD2-CG2 4.29Å; L221-V223 HydrophobicContact CG-CG2 4.05Å
222H83.4Confident74.2Confident90 Ų9064 Ų6442%0.41738%0.377SS..EExtended strand (participates in β ladder)trans-96.4133.2165.5-167.362000109.9W144 S145 A146 E224W144-H222 PolarHBondContact O-N 2.86Å; S145-H222 WeakPolarHBondContact CA-O 3.21Å; A146-H222 PolarHBondContact N-O 2.81Å; H222-E224 IonicContact CD2-OE1 3.66Å
223V84.1Confident71.8Confident10 Ų1063.1 Ų63.16%0.06138%0.384CS..EExtended strand (participates in β ladder)trans-113.7127.3179.7-176.80000110A146 V148 V192 L194 A197 L221A146-V223 CarbonylContact O-C 3.57Å; A146-V223 VanDerWaalsContact O-CA 3.3Å; A146-V223 WeakPolarHBondContact O-CA 3.4Å; V148-V223 HydrophobicContact CG2-CG1 3.89Å; V192-V223 HydrophobicContact CG1-CB 4.21Å; V192-V223 HydrophobicContact CG1-CG1 3.54Å; V192-V223 HydrophobicContact CG1-CG2 3.57Å; L194-V223 HydrophobicContact CD2-CB 4.37Å; L194-V223 HydrophobicContact CD2-CG1 4.07Å; A197-V223 HydrophobicContact CB-CB 4.39Å; A197-V223 HydrophobicContact CB-CG2 3.99Å; L221-V223 HydrophobicContact CD2-CG2 4.29Å; L221-V223 HydrophobicContact CG-CG2 4.05Å
224E81.5Confident69.2Low35 Ų3567 Ų6716%0.16441%0.411CS..EExtended strand (participates in β ladder)trans-111.4133.1-177.6-61.2-178.7-168.700111.5A146 K147 V148 H222 Q354A146-E224 PolarHBondContact O-N 2.84Å; K147-E224 CarbonylContact C-O 3.54Å; K147-E224 VanDerWaalsContact CA-O 3.3Å; K147-E224 WeakPolarHBondContact CA-O 3.43Å; V148-E224 PolarHBondContact N-O 2.85Å; H222-E224 IonicContact CD2-OE1 3.66Å; E224-Q354 PolarHBondContact OE2-NE2 2.99Å; E224-Q354 PolarHBondContact OE2-OE1 3.34Å
225G72.6Confident66.7Low52 Ų5264.8 Ų64.854%0.53641%0.413SS..SBendtrans135.4170.5174.700000113.8
226S68.1Low64.1Low91 Ų9170.7 Ų70.764%0.63645%0.449SS*.  trans-100.9137.8169.160.60000109.7S228S226-S228 VanDerWaalsContact C-N 3.31Å; S226-S228 PolarHBondContact O-N 2.81Å
227D56Low61.4Low94 Ų9476.4 Ų76.450%0.50348%0.482SS..  trans-62.792.7169.5-92.5-27000109.3A229D227-A229 PolarHBondContact O-N 2.83Å
228S52.8Low58.6Low114 Ų11481 Ų8180%0.79751%0.512SS*.  trans-77.868.3169.7-68.20000109.3S226S226-S228 VanDerWaalsContact C-N 3.31Å; S226-S228 PolarHBondContact O-N 2.81Å
229A49.6Very low55.9Low83 Ų8390 Ų9069%0.68655%0.551SS**  trans-160.260.4165.900000111D227D227-A229 PolarHBondContact O-N 2.83Å
230V40.5Very low53.7Low120 Ų12094 Ų9473%0.72758%0.578SS**  trans-124.180.4149.4-168.10000107.8T232V230-T232 VanDerWaalsContact CG1-OG1 3.22Å; V230-T232 WeakPolarHBondContact CG1-OG1 3.16Å; V230-T232 PolarHBondContact O-N 3.11Å
231T37.3Very low51.3Low136 Ų13696.8 Ų96.883%0.83460%0.603SS**  trans-62.385.1155.6-56.20000107.1S233T231-S233 PolarHBondContact O-N 2.81Å
232T32.8Very low48.9Very low99 Ų99100.5 Ų100.561%0.60764%0.642SS**  trans-85.192.8160.7-48.80000106.1V230 V234V230-T232 VanDerWaalsContact CG1-OG1 3.22Å; V230-T232 WeakPolarHBondContact CG1-OG1 3.16Å; V230-T232 PolarHBondContact O-N 3.11Å; T232-V234 VanDerWaalsContact C-N 3.26Å; T232-V234 HydrophobicContact CG2-CG2 3.95Å; T232-V234 PolarHBondContact O-N 3.36Å
233S40.8Very low46.5Very low104 Ų104101.4 Ų101.473%0.72767%0.665SS**  trans-60.295.9156.551.80000107.2T231 P235T231-S233 PolarHBondContact O-N 2.81Å; S233-P235 WeakPolarHBondContact O-CD 3.15Å
234V38.2Very low44.1Very low117 Ų117104.2 Ų104.271%0.70970%0.696SS**PPolyproline II helixtrans-75.1119.8170.7-179.40000107.2T232T232-V234 VanDerWaalsContact C-N 3.26Å; T232-V234 HydrophobicContact CG2-CG2 3.95Å; T232-V234 PolarHBondContact O-N 3.36Å
235P39.3Very low41.9Very low108 Ų108111.4 Ų111.470%0.70173%0.73SS**PPolyproline II helixtrans-77.3136.216730.4-25.9000109.1S233 V237S233-P235 WeakPolarHBondContact O-CD 3.15Å; P235-V237 PolarHBondContact O-N 2.93Å
236V36.6Very low40.3Very low125 Ų125115.2 Ų115.276%0.75875%0.745SS**PPolyproline II helixtrans-52.7122.4169.1172.10000110.1
237V36.1Very low38.8Very low140 Ų140116 Ų11685%0.84875%0.751SS**  trans-130.8116.1150.1-179.40000108.1P235P235-V237 PolarHBondContact O-N 2.93Å
238T33.2Very low38Very low110 Ų110117.2 Ų117.268%0.67577%0.766SS**  trans-83.1150179.7-44.50000110.6
239K31.7Very low37.4Very low189 Ų189116.7 Ų116.782%0.82276%0.763SS**  trans99.6158.9147.3-118-166.4-178.1178.50117.9
240P41.9Very low36.9Very low96 Ų96118.6 Ų118.662%0.62377%0.766SS**  -129.6171.3-83.241.8-27.5000114.6
241S35.8Very low36.9Very low116 Ų116120.1 Ų120.181%0.81177%0.769SS**  trans44.911314759.80000120.4
242G33.9Very low37Very low82 Ų82118.6 Ų118.685%0.84576%0.764SS**  trans-162.4127.6157.800000110.3
243A33.9Very low37.2Very low109 Ų109119.6 Ų119.690%0.90177%0.77SS**  trans-83.8149.6-169.800000114
244G32.7Very low37.5Very low68 Ų68120.6 Ų120.670%0.70177%0.771SS**  trans96.595.7139.800000118.5
245Q36.8Very low38.3Very low187 Ų187119.7 Ų119.787%0.87477%0.77SS**  trans-172.3130.1131.6-120.7153.1-5100111.1S247Q245-S247 PolarHBondContact O-N 2.79Å
246P38.4Very low39.7Very low132 Ų132121.5 Ų121.586%0.85777%0.772SS**  trans-85.296.3170.131.5-27.5000109.3S248P246-S248 PolarHBondContact O-N 2.83Å
247S35.7Very low41.6Very low108 Ų108120.3 Ų120.376%0.75576%0.76SS**  trans-75.9114.4159.750.20000108.3Q245 S249Q245-S247 PolarHBondContact O-N 2.79Å; S247-S249 PolarHBondContact O-N 2.89Å
248S39.9Very low43.9Very low119 Ų119119.4 Ų119.483%0.83275%0.745SS**  trans-39.898.5169.1165.10000111.7P246 T250P246-S248 PolarHBondContact O-N 2.83Å; S248-T250 PolarHBondContact O-N 3.1Å
249S41.3Very low46.6Very low103 Ų103117.3 Ų117.372%0.7273%0.733SS**  trans-74.9112.5166.944.90000108.1S247 L251S247-S249 PolarHBondContact O-N 2.89Å; S249-L251 PolarHBondContact O-N 2.91Å; S249-L251 VanDerWaalsContact O-N 3.08Å
250T38.3Very low49.6Very low123 Ų123108.4 Ų108.476%0.75569%0.694SS**  trans-48.4117.1156.227.50000107.8S248 S252S248-T250 PolarHBondContact O-N 3.1Å; T250-S252 VanDerWaalsContact C-N 3.26Å; T250-S252 PolarHBondContact O-N 3.47Å
251L39.9Very low52.1Low152 Ų152107.4 Ų107.480%0.79669%0.686SS**  trans-62.390.9173.7-152.486.9000107.2S249 T253S249-L251 PolarHBondContact O-N 2.91Å; S249-L251 VanDerWaalsContact O-N 3.08Å; L251-T253 HydrophobicContact CD2-CG2 4.46Å; L251-T253 PolarHBondContact O-N 3.35Å
252S39.8Very low54.9Low104 Ų104102.8 Ų102.873%0.72765%0.652SS**  trans-63.392.6163.5-61.70000105.9T250 V254T250-S252 VanDerWaalsContact C-N 3.26Å; T250-S252 PolarHBondContact O-N 3.47Å; S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.88Å
253T38Very low57.7Low119 Ų119102.1 Ų102.173%0.7363%0.632SS**  trans-56.799.1165.631.90000106.7L251 S255L251-T253 HydrophobicContact CD2-CG2 4.46Å; L251-T253 PolarHBondContact O-N 3.35Å; T253-S255 PolarHBondContact O-N 3.35Å
254V45.5Very low60.5Low125 Ų12598.8 Ų98.876%0.75860%0.602SS**  trans-58.195.8164.9177.80000105.1S252 I256S252-V254 VanDerWaalsContact C-N 3.26Å; S252-V254 PolarHBondContact O-N 2.88Å; V254-I256 PolarHBondContact O-N 3.32Å
255S56.5Low63.4Low98 Ų9895.7 Ų95.769%0.68557%0.569SS**  trans-66.1100.9175.8-178.30000106.8T253 M257T253-S255 PolarHBondContact O-N 3.35Å; S255-M257 VanDerWaalsContact C-N 3.35Å; S255-M257 PolarHBondContact O-N 3.21Å
256I68.9Low65.9Low146 Ų14692.6 Ų92.675%0.74956%0.558SS**  trans-61.898.7176.5-60.6172.4000107.1V254 K258V254-I256 PolarHBondContact O-N 3.32Å; I256-K258 PolarHBondContact O-N 2.75Å
257M75.1Confident68.5Low101 Ų10191.5 Ų91.550%0.49854%0.544SS..PPolyproline II helixtrans-64.6123.5177-71147.1160.500108.4S255 L291 T356 G357S255-M257 VanDerWaalsContact C-N 3.35Å; S255-M257 PolarHBondContact O-N 3.21Å; M257-L291 HydrophobicContact CB-CD1 4.27Å; M257-L291 HydrophobicContact CG-CD1 4.34Å; M257-T356 PolarHBondContact SD-OG1 3.37Å; M257-T356 VanDerWaalsContact SD-OG1 3.37Å; M257-G357 VanDerWaalsContact O-CA 3.28Å; M257-G357 WeakPolarHBondContact O-CA 3.38Å
258K85.3Confident71Confident121 Ų12188.9 Ų88.953%0.52654%0.535SS..PPolyproline II helixtrans-84.9144.3-179.6-67.5179-178.6174.40110.7I256 N355I256-K258 PolarHBondContact O-N 2.75Å; K258-N355 PolarHBondContact O-ND2 3.01Å; K258-N355 PolarHBondContact O-OD1 2.9Å
259P89.8Confident73.4Confident66 Ų6685.1 Ų85.143%0.42951%0.507SS..PPolyproline II helixtrans-63.4153.6173.926.6-33.6000111.1
260P93.5Very high75.8Confident1 Ų185 Ų851%0.00650%0.497CS..PPolyproline II helixtrans-74.4146.3175.120.2-5.9000109.7V285 T295 T353 N355 G358P260-V285 HydrophobicContact CB-CG1 3.61Å; P260-T295 HydrophobicContact CB-CG2 3.76Å; P260-T295 HydrophobicContact CG-CG2 3.85Å; P260-T353 HydrophobicContact CB-CG2 4.06Å; P260-T353 HydrophobicContact CG-CG2 3.96Å; P260-N355 VanDerWaalsContact CD-CG 3.45Å; P260-N355 WeakPolarHBondContact CD-OD1 3.43Å; P260-N355 HydrophobicContact CG-CB 3.99Å; P260-G358 WeakPolarHBondContact CD-O 3.45Å
261V94.4Very high78.2Confident76 Ų7681.4 Ų81.446%0.46147%0.471SS..EExtended strand (participates in β ladder)trans-113.3123.2-176.7-178.80000109.7V263 V285 V286V261-V263 PolarHBondContact O-N 3.01Å; V261-V285 CarbonylContact O-C 3.51Å; V261-V285 VanDerWaalsContact O-CA 3.32Å; V261-V285 WeakPolarHBondContact O-CA 3.5Å; V261-V286 PolarHBondContact N-O 3.09Å; V261-V286 PolarHBondContact O-N 2.99Å
262I95.6Very high80.6Confident19 Ų1979.5 Ų79.510%0.09746%0.458CS..EExtended strand (participates in β ladder)trans-75.3120.5171.7-56.5173.6000107.8S264 V285 C351 T353 Q360 V362I262-S264 WeakPolarHBondContact CG2-O 3.42Å; I262-V285 HydrophobicContact CG1-CG2 4.19Å; I262-C351 HydrophobicContact CD1-CB 4.42Å; I262-C351 WeakPolarHBondContact CD1-O 3.31Å; I262-T353 HydrophobicContact CD1-CG2 3.92Å; I262-T353 HydrophobicContact CG1-CG2 3.49Å; I262-T353 VanDerWaalsContact CG1-CG2 3.49Å; I262-Q360 HydrophobicContact CD1-CB 4.44Å; I262-Q360 HydrophobicContact CD1-CG 4.06Å; I262-Q360 HydrophobicContact CG1-CB 4.49Å; I262-Q360 HydrophobicContact CG1-CG 4.11Å; I262-V362 HydrophobicContact CB-CG2 3.96Å; I262-V362 HydrophobicContact CD1-CB 3.95Å; I262-V362 HydrophobicContact CD1-CG2 3.78Å; I262-V362 HydrophobicContact CG1-CG2 4.44Å; I262-V362 HydrophobicContact CG2-CB 4.3Å; I262-V362 HydrophobicContact CG2-CG2 3.91Å
263V92.7Very high82.8Confident68 Ų6875 Ų7541%0.41243%0.426SS..EExtended strand (participates in β ladder)trans-100.7-22.3176.1-63.40000112.3V261 Q284 V286V261-V263 PolarHBondContact O-N 3.01Å; V263-Q284 HydrophobicContact CG2-CB 3.53Å; V263-Q284 VanDerWaalsContact CG2-O 3.29Å; V263-Q284 WeakPolarHBondContact CG2-O 3.26Å; V263-Q284 PolarHBondContact N-O 2.75Å; V263-V286 HydrophobicContact CG1-CB 4.36Å; V263-V286 HydrophobicContact CG1-CG2 3.7Å; V263-V286 HydrophobicContact CG2-CG2 4.14Å
264S92Very high84.8Confident38 Ų3870.2 Ų70.227%0.26640%0.398SS..EExtended strand (participates in β ladder)trans-151.4141.6170.4176.50000108.7I262 C283 Q284I262-S264 WeakPolarHBondContact CG2-O 3.42Å; S264-C283 CarbonylContact O-C 3.57Å; S264-C283 VanDerWaalsContact O-CA 3.27Å; S264-C283 WeakPolarHBondContact O-CA 3.36Å; S264-Q284 PolarHBondContact N-O 3.44Å; S264-Q284 PolarHBondContact O-N 2.8Å
265P93.9Very high86.4Confident3 Ų366.6 Ų66.62%0.01937%0.373CS..SBendcis-69.9171.4-5.931.4-35.8000112.5F271 W299 V362 T364P265-F271 HydrophobicContact CB-CE2 4.14Å; P265-F271 HydrophobicContact CB-CZ 4Å; P265-W299 HydrophobicContact CG-CH2 3.91Å; P265-V362 HydrophobicContact CG-CG1 3.88Å; P265-V362 WeakPolarHBondContact O-CG1 3.32Å; P265-T364 HydrophobicContact CB-CG2 3.54Å; P265-T364 HydrophobicContact CG-CG2 3.45Å; P265-T364 VanDerWaalsContact CG-CG2 3.45Å
266I89.6Confident87.2Confident123 Ų12362.5 Ų62.563%0.63135%0.345SS*.PPolyproline II helixtrans-87.4145.5172-58.6173000108.4G268 T269I266-G268 PolarHBondContact O-N 3.12Å; I266-T269 PolarHBondContact N-OG1 2.99Å; I266-T269 VanDerWaalsContact O-CB 3.29Å; I266-T269 WeakPolarHBondContact O-CB 3.42Å; I266-T269 PolarHBondContact O-N 2.83Å; I266-T269 PolarHBondContact O-OG1 2.9Å
267D93Very high87.6Confident108 Ų10856.2 Ų56.258%0.57832%0.315SS*.THydrogen-bonded Turntrans-60.1130.4177.5-16035.8000112.2T269 V362 V363D267-T269 VanDerWaalsContact C-N 3.34Å; D267-V362 HydrophobicContact CB-CG1 4.28Å; D267-V362 HydrophobicContact CB-CG2 4.44Å; D267-V363 PolarHBondContact OD1-N 3.26Å
268G88.9Confident88Confident54 Ų5453.1 Ų53.156%0.55731%0.309SS*.THydrogen-bonded Turntrans789.7-173.200000115.2I266 I270 V363I266-G268 PolarHBondContact O-N 3.12Å; G268-I270 PolarHBondContact O-N 3.07Å; G268-V363 PolarHBondContact N-O 3.44Å
269T89.9Confident88.2Confident40 Ų4048.4 Ų48.425%0.24529%0.289CS..EExtended strand (participates in β ladder)trans-60.3133.1174.3-570000110.2I266 D267 F271 T364 M365I266-T269 PolarHBondContact N-OG1 2.99Å; I266-T269 VanDerWaalsContact O-CB 3.29Å; I266-T269 WeakPolarHBondContact O-CB 3.42Å; I266-T269 PolarHBondContact O-N 2.83Å; I266-T269 PolarHBondContact O-OG1 2.9Å; D267-T269 VanDerWaalsContact C-N 3.34Å; T269-F271 HydrophobicContact CG2-CD1 4.49Å; T269-F271 HydrophobicContact CG2-CD2 4.36Å; T269-F271 HydrophobicContact CG2-CE1 4.08Å; T269-F271 HydrophobicContact CG2-CE2 3.95Å; T269-F271 HydrophobicContact CG2-CZ 3.79Å; T269-T364 VanDerWaalsContact O-CA 3.29Å; T269-T364 WeakPolarHBondContact O-CA 3.36Å; T269-T364 WeakPolarHBondContact O-CB 3.37Å; T269-M365 PolarHBondContact O-N 3.15Å
270I91.4Very high88.2Confident99 Ų9949.1 Ų49.151%0.50829%0.286SS..EExtended strand (participates in β ladder)trans-104.7119173.5-57.8172.7000107.7G268 M365 R367G268-I270 PolarHBondContact O-N 3.07Å; I270-M365 CarbonylContact C-O 3.47Å; I270-M365 WeakPolarHBondContact CA-O 3.29Å; I270-R367 HydrophobicContact CG2-CB 3.58Å
271F89.6Confident88.1Confident49 Ų4949.2 Ų49.222%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-92.1123.4173.6-69.3-73.9000109.4P265 T269 L279 L281 M349 T364 M365 L366 R367P265-F271 HydrophobicContact CB-CE2 4.14Å; P265-F271 HydrophobicContact CB-CZ 4Å; T269-F271 HydrophobicContact CG2-CD1 4.49Å; T269-F271 HydrophobicContact CG2-CD2 4.36Å; T269-F271 HydrophobicContact CG2-CE1 4.08Å; T269-F271 HydrophobicContact CG2-CE2 3.95Å; T269-F271 HydrophobicContact CG2-CZ 3.79Å; F271-L279 HydrophobicContact CB-CD2 4.2Å; F271-L281 HydrophobicContact CB-CD2 4.27Å; F271-L281 HydrophobicContact CD1-CD2 3.54Å; F271-L281 HydrophobicContact CD2-CD1 3.94Å; F271-L281 HydrophobicContact CD2-CD2 3.64Å; F271-L281 HydrophobicContact CD2-CG 4.49Å; F271-L281 HydrophobicContact CE1-CD2 3.67Å; F271-L281 HydrophobicContact CE2-CD1 4.08Å; F271-L281 HydrophobicContact CE2-CD2 3.74Å; F271-L281 HydrophobicContact CE2-CG 4.5Å; F271-L281 HydrophobicContact CG-CD2 3.53Å; F271-L281 HydrophobicContact CZ-CD2 3.77Å; F271-M349 HydrophobicContact CD2-CE 4.35Å; F271-T364 HydrophobicContact CE2-CG2 3.94Å; F271-M365 PolarHBondContact N-O 3.01Å; F271-L366 WeakPolarHBondContact O-CD1 3.44Å; F271-R367 PolarHBondContact O-N 3.1Å
272E89.6Confident88.1Confident112 Ų11248.7 Ų48.752%0.52328%0.279SS..EExtended strand (participates in β ladder)trans-97.3130.8176.4-66.7-173.6160.600109.7R367E272-R367 VanDerWaalsContact CA-O 3.31Å; E272-R367 WeakPolarHBondContact CA-O 3.4Å; E272-R367 HydrophobicContact CG-CB 4.17Å; E272-R367 HydrophobicContact CG-CG 4.43Å; E272-R367 WeakPolarHBondContact OE1-CD 3.43Å; E272-R367 IonicContact OE1-CZ 3.49Å; E272-R367 IonicContact OE1-NE 3.48Å; E272-R367 IonicContact OE1-NH1 2.84Å; E272-R367 PolarHBondContact OE1-NH1 2.65Å
273S84.9Confident88Confident8 Ų847.8 Ų47.86%0.05627%0.274CS..EExtended strand (participates in β ladder)trans-145.6140-179.5-168.10000110.6S277 I340 R367 L368 E369S273-S277 PolarHBondContact OG-OG 3.38Å; S273-I340 WeakPolarHBondContact OG-CG1 3.05Å; S273-R367 PolarHBondContact N-O 3.45Å; S273-L368 WeakPolarHBondContact O-CA 3.16Å; S273-E369 PolarHBondContact O-N 3.38Å
274S80.1Confident88.2Confident19 Ų1947.1 Ų47.113%0.13327%0.266CS..  trans-72.6156.4176.5-290000110.9G276 S277 E369S274-G276 PolarHBondContact O-N 3.3Å; S274-S277 PolarHBondContact O-N 2.6Å; S274-S277 PolarHBondContact O-OG 2.83Å; S274-E369 PolarHBondContact OG-OE2 2.96Å
275H78.8Confident88.3Confident50 Ų5045.3 Ų45.323%0.23125%0.254CS..THydrogen-bonded Turntrans-62.5132.4177-178.7-87.8000111.7R20 S277 L368R20-H275 HydrophobicContact CB-CB 4.09Å; R20-H275 VanDerWaalsContact CD-CG 3.46Å; R20-H275 HydrophobicContact CG-CB 4.42Å; H275-S277 PolarHBondContact O-N 2.84Å; H275-L368 HydrophobicContact CB-CD2 4.36Å
276G74.6Confident88.3Confident11 Ų1146.6 Ų46.611%0.11326%0.261CS..THydrogen-bonded Turntrans72.53.9178.400000114.9L22 S274 I340L22-G276 WeakPolarHBondContact CD2-O 3.19Å; S274-G276 PolarHBondContact O-N 3.3Å; G276-I340 VanDerWaalsContact CA-O 3.28Å; G276-I340 WeakPolarHBondContact CA-O 3.35Å; G276-I340 PolarHBondContact N-O 3.36Å
277S77.7Confident88.5Confident15 Ų1541 Ų4111%0.10523%0.233CC..  trans-75.9153168.373.70000110.9S273 S274 H275 A339 I340S273-S277 PolarHBondContact OG-OG 3.38Å; S274-S277 PolarHBondContact O-N 2.6Å; S274-S277 PolarHBondContact O-OG 2.83Å; H275-S277 PolarHBondContact O-N 2.84Å; S277-A339 CarbonylContact O-C 3.58Å; S277-A339 VanDerWaalsContact O-CA 3.29Å; S277-A339 WeakPolarHBondContact O-CA 3.41Å; S277-I340 PolarHBondContact O-N 3.02Å
278G82.8Confident88.4Confident36 Ų3639 Ų3937%0.37122%0.22SC..  trans-73.5149.9164.900000110.5I337 S338G278-I337 CarbonylContact C-O 3.59Å; G278-I337 WeakPolarHBondContact CA-O 3.47Å; G278-S338 WeakPolarHBondContact CA-O 3.49Å
279L89.2Confident88.2Confident21 Ų2137.7 Ų37.711%0.1120%0.202CC..EExtended strand (participates in β ladder)trans-125.2125.2172.5-179.963.3000108.7F271 L281 I336 I337 I340 L366F271-L279 HydrophobicContact CB-CD2 4.2Å; L279-L281 HydrophobicContact CD1-CD2 3.94Å; L279-L281 HydrophobicContact CD2-CD1 4.4Å; L279-L281 HydrophobicContact CD2-CD2 4.04Å; L279-L281 HydrophobicContact CD2-CG 4.3Å; L279-L281 HydrophobicContact CG-CD2 3.83Å; L279-L281 HydrophobicContact CG-CG 4.13Å; L279-I336 CarbonylContact O-C 3.43Å; L279-I336 WeakPolarHBondContact O-CA 3.46Å; L279-I337 PolarHBondContact N-O 2.79Å; L279-I337 PolarHBondContact O-N 2.88Å; L279-I340 HydrophobicContact CB-CD1 3.91Å; L279-I340 HydrophobicContact CB-CG1 4.19Å; L279-I340 HydrophobicContact CD2-CD1 4.34Å; L279-L366 HydrophobicContact CD2-CD1 3.51Å
280E90.1Very high88.1Confident81 Ų8144.7 Ų44.738%0.37923%0.232SC..EExtended strand (participates in β ladder)trans-111.7120.5175.7-178.6174.1-149.300109.4F282 R334 I336E280-F282 VanDerWaalsContact CD-CZ 3.42Å; E280-F282 HydrophobicContact CG-CE1 4.41Å; E280-F282 HydrophobicContact CG-CE2 3.8Å; E280-F282 HydrophobicContact CG-CZ 3.7Å; E280-R334 WeakPolarHBondContact OE1-CD 3.36Å; E280-R334 IonicContact OE1-CZ 3.39Å; E280-R334 IonicContact OE1-NE 2.96Å; E280-R334 IonicContact OE1-NH1 3.73Å; E280-R334 PolarHBondContact OE1-NH1 3.49Å; E280-I336 HydrophobicContact CB-CG1 4.25Å; E280-I336 HydrophobicContact CG-CD1 4.48Å; E280-I336 HydrophobicContact CG-CG1 3.9Å
281L91.9Very high87.9Confident3 Ų341 Ų412%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-113.1146.8178.2-55.7-172.6000110.1F271 L279 W299 R334 F335 M349F271-L281 HydrophobicContact CB-CD2 4.27Å; F271-L281 HydrophobicContact CD1-CD2 3.54Å; F271-L281 HydrophobicContact CD2-CD1 3.94Å; F271-L281 HydrophobicContact CD2-CD2 3.64Å; F271-L281 HydrophobicContact CD2-CG 4.49Å; F271-L281 HydrophobicContact CE1-CD2 3.67Å; F271-L281 HydrophobicContact CE2-CD1 4.08Å; F271-L281 HydrophobicContact CE2-CD2 3.74Å; F271-L281 HydrophobicContact CE2-CG 4.5Å; F271-L281 HydrophobicContact CG-CD2 3.53Å; F271-L281 HydrophobicContact CZ-CD2 3.77Å; L279-L281 HydrophobicContact CD1-CD2 3.94Å; L279-L281 HydrophobicContact CD2-CD1 4.4Å; L279-L281 HydrophobicContact CD2-CD2 4.04Å; L279-L281 HydrophobicContact CD2-CG 4.3Å; L279-L281 HydrophobicContact CG-CD2 3.83Å; L279-L281 HydrophobicContact CG-CG 4.13Å; L281-W299 HydrophobicContact CB-CH2 3.89Å; L281-W299 HydrophobicContact CB-CZ2 3.91Å; L281-W299 HydrophobicContact CD1-CH2 4.14Å; L281-W299 HydrophobicContact CD1-CZ3 4.27Å; L281-R334 WeakPolarHBondContact O-CA 3.2Å; L281-F335 HydrophobicContact CB-CB 4.41Å; L281-F335 HydrophobicContact CB-CD1 4.42Å; L281-F335 HydrophobicContact CD1-CD1 4.06Å; L281-F335 HydrophobicContact CG-CD1 4.45Å; L281-F335 PolarHBondContact N-O 2.91Å; L281-F335 PolarHBondContact O-N 2.77Å; L281-M349 HydrophobicContact CD1-CE 3.89Å; L281-M349 HydrophobicContact CD1-SD 3.58Å; L281-M349 VanDerWaalsContact CD1-SD 3.58Å
282F93.3Very high87.7Confident66 Ų6638.8 Ų38.829%0.28920%0.204SC..EExtended strand (participates in β ladder)trans-120.9124.2179.2-61.6-89000110.1E280 Q284 E332 R334E280-F282 VanDerWaalsContact CD-CZ 3.42Å; E280-F282 HydrophobicContact CG-CE1 4.41Å; E280-F282 HydrophobicContact CG-CE2 3.8Å; E280-F282 HydrophobicContact CG-CZ 3.7Å; F282-Q284 HydrophobicContact CB-CG 4.49Å; F282-E332 HydrophobicContact CD1-CG 3.89Å; F282-R334 HydrophobicContact CD1-CG 3.89Å; F282-R334 HydrophobicContact CE1-CG 3.75Å
283C94.9Very high87.4Confident0 Ų038.4 Ų38.40%021%0.206CC..EExtended strand (participates in β ladder)trans-96.8108.7164.1-167.60000109.6S264 V297 W299 E332 V333 C351S264-C283 CarbonylContact O-C 3.57Å; S264-C283 VanDerWaalsContact O-CA 3.27Å; S264-C283 WeakPolarHBondContact O-CA 3.36Å; C283-V297 HydrophobicContact CB-CG1 4.14Å; C283-W299 HydrophobicContact CB-CZ2 3.72Å; C283-E332 WeakPolarHBondContact O-CA 3.25Å; C283-V333 PolarHBondContact N-O 3.36Å; C283-V333 PolarHBondContact O-N 3.23Å; C283-C351 HydrophobicContact CB-CB 3.77Å; C283-C351 WeakPolarHBondContact CB-SG 3.45Å; C283-C351 WeakPolarHBondContact SG-CB 3.05Å; C283-C351 CovalentContact SG-SG 2Å; C283-C351 PolarHBondContact SG-SG 2.85Å
284Q95.1Very high87.3Confident53 Ų5340.8 Ų40.825%0.24822%0.222CC..EExtended strand (participates in β ladder)trans-102.6123.3177.2-65.6-179.2-13.100109V263 S264 F282 I331 E332V263-Q284 HydrophobicContact CG2-CB 3.53Å; V263-Q284 VanDerWaalsContact CG2-O 3.29Å; V263-Q284 WeakPolarHBondContact CG2-O 3.26Å; V263-Q284 PolarHBondContact N-O 2.75Å; S264-Q284 PolarHBondContact N-O 3.44Å; S264-Q284 PolarHBondContact O-N 2.8Å; F282-Q284 HydrophobicContact CB-CG 4.49Å; Q284-I331 CarbonylContact C-O 3.58Å; Q284-I331 WeakPolarHBondContact CA-O 3.34Å; Q284-E332 HydrophobicContact CG-CG 4.19Å; Q284-E332 PolarHBondContact NE2-OE2 3.44Å
285V95.5Very high87.6Confident0 Ų040 Ų400%022%0.217CC..EExtended strand (participates in β ladder)trans-126.9127.1-174.2179.70000109.3P260 V261 I262 T295 V297 Q330 I331 T353P260-V285 HydrophobicContact CB-CG1 3.61Å; V261-V285 CarbonylContact O-C 3.51Å; V261-V285 VanDerWaalsContact O-CA 3.32Å; V261-V285 WeakPolarHBondContact O-CA 3.5Å; I262-V285 HydrophobicContact CG1-CG2 4.19Å; V285-T295 HydrophobicContact CG1-CG2 4.46Å; V285-V297 HydrophobicContact CB-CG2 4.14Å; V285-V297 HydrophobicContact CG1-CG2 4.48Å; V285-V297 HydrophobicContact CG2-CG1 3.86Å; V285-V297 HydrophobicContact CG2-CG2 3.83Å; V285-Q330 CarbonylContact O-C 3.53Å; V285-Q330 VanDerWaalsContact O-CA 3.3Å; V285-Q330 WeakPolarHBondContact O-CA 3.37Å; V285-I331 HydrophobicContact CB-CB 4.43Å; V285-I331 PolarHBondContact N-O 2.76Å; V285-I331 PolarHBondContact O-N 2.69Å; V285-T353 HydrophobicContact CG1-CG2 3.9Å; V285-T353 HydrophobicContact CG2-CG2 4.08Å
286V93.9Very high88.2Confident30 Ų3038.9 Ų38.918%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-100.2128174.9179.20000109.4V261 V263 R328 Q330V261-V286 PolarHBondContact N-O 3.09Å; V261-V286 PolarHBondContact O-N 2.99Å; V263-V286 HydrophobicContact CG1-CB 4.36Å; V263-V286 HydrophobicContact CG1-CG2 3.7Å; V263-V286 HydrophobicContact CG2-CG2 4.14Å; V286-R328 HydrophobicContact CG1-CB 3.9Å; V286-R328 HydrophobicContact CG1-CG 4.48Å; V286-Q330 HydrophobicContact CG2-CB 4.46Å; V286-Q330 HydrophobicContact CG2-CG 4.43Å
287T93.6Very high89.2Confident5 Ų539 Ų393%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-143.7169178.9-171.20000110.2A292 T295 C329 I331 N355T287-A292 HydrophobicContact CG2-CB 4.06Å; T287-T295 HydrophobicContact CG2-CG2 4.42Å; T287-T295 PolarHBondContact OG1-OG1 2.77Å; T287-C329 PolarHBondContact N-O 2.69Å; T287-C329 PolarHBondContact O-N 3.05Å; T287-C329 VanDerWaalsContact O-O 3.1Å; T287-I331 HydrophobicContact CG2-CD1 3.79Å; T287-I331 HydrophobicContact CG2-CG1 4.28Å; T287-N355 PolarHBondContact OG1-ND2 2.76Å
288E91Very high89.9Confident66 Ų6640.5 Ų40.531%0.30822%0.223SC..EExtended strand (participates in β ladder)trans-67.4137.4172.7-65.4-61.1157.700109.5Q290 L291 A292 R328E288-Q290 PolarHBondContact O-N 3.4Å; E288-Q290 VanDerWaalsContact O-N 3.1Å; E288-L291 HydrophobicContact CB-CD1 4.46Å; E288-L291 CarbonylContact O-C 3.52Å; E288-L291 WeakPolarHBondContact O-CA 3.49Å; E288-L291 PolarHBondContact O-N 2.85Å; E288-A292 PolarHBondContact O-N 2.87Å; E288-R328 IonicContact OE1-CZ 3.6Å; E288-R328 IonicContact OE1-NE 2.69Å; E288-R328 PolarHBondContact OE1-NE 3.18Å; E288-R328 IonicContact OE1-NH2 3.61Å
289C85.3Confident90.5Very high28 Ų2838.9 Ų38.919%0.18921%0.206CC..THydrogen-bonded Turntrans-59.3-29.6-174-76.30000114.1L291 A292 C329C289-L291 PolarHBondContact O-N 3.39Å; C289-A292 WeakPolarHBondContact O-CB 3.27Å; C289-A292 PolarHBondContact O-N 2.83Å; C289-C329 WeakPolarHBondContact CA-SG 3.48Å; C289-C329 HydrophobicContact CB-CB 3.97Å; C289-C329 WeakPolarHBondContact CB-SG 3.18Å; C289-C329 WeakPolarHBondContact SG-CB 3.47Å; C289-C329 PolarHBondContact SG-N 2.86Å; C289-C329 CovalentContact SG-SG 2.05Å; C289-C329 PolarHBondContact SG-SG 2.89Å
290Q86.6Confident90.7Very high187 Ų18739.8 Ų39.887%0.87421%0.211SC*.THydrogen-bonded Turntrans-66.7-27.4176-58.5179.924.200112.5E288E288-Q290 PolarHBondContact O-N 3.4Å; E288-Q290 VanDerWaalsContact O-N 3.1Å
291L87.6Confident91Very high20 Ų2036 Ų3611%0.10519%0.193CC..THydrogen-bonded Turntrans-99.4-7.8179.3-63.8173.9000112.2M257 E288 C289 D293 S294 T295M257-L291 HydrophobicContact CB-CD1 4.27Å; M257-L291 HydrophobicContact CG-CD1 4.34Å; E288-L291 HydrophobicContact CB-CD1 4.46Å; E288-L291 CarbonylContact O-C 3.52Å; E288-L291 WeakPolarHBondContact O-CA 3.49Å; E288-L291 PolarHBondContact O-N 2.85Å; C289-L291 PolarHBondContact O-N 3.39Å; L291-D293 PolarHBondContact O-N 2.03Å; L291-D293 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-N 2.76Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3Å; L291-T295 WeakPolarHBondContact O-CB 3.28Å; L291-T295 PolarHBondContact O-N 3.24Å; L291-T295 PolarHBondContact O-OG1 2.77Å
292A85.8Confident91.1Very high3 Ų339.9 Ų39.93%0.02521%0.214CC..THydrogen-bonded Turntrans-53.6-39.2-176.300000111.5T287 E288 C289 R320 V322 C329 I331T287-A292 HydrophobicContact CG2-CB 4.06Å; E288-A292 PolarHBondContact O-N 2.87Å; C289-A292 WeakPolarHBondContact O-CB 3.27Å; C289-A292 PolarHBondContact O-N 2.83Å; A292-R320 PolarHBondContact O-NH2 3.32Å; A292-V322 HydrophobicContact CB-CG1 4.14Å; A292-C329 HydrophobicContact CB-CB 3.76Å; A292-I331 HydrophobicContact CB-CD1 4.43Å; A292-I331 VanDerWaalsContact O-CD1 3.29Å; A292-I331 WeakPolarHBondContact O-CD1 3.44Å
293D82.7Confident90.8Very high104 Ų10439 Ų3956%0.55622%0.224SC*.THydrogen-bonded Turntrans-75.3-26-176.7-88.3-23.9000116K138 L291 R320K138-D293 VanDerWaalsContact NZ-CA 3.28Å; K138-D293 PolarHBondContact NZ-O 2.8Å; K138-D293 IonicContact NZ-OD1 2.6Å; K138-D293 PolarHBondContact NZ-OD1 2.89Å; K138-D293 IonicContact NZ-OD2 3.3Å; L291-D293 PolarHBondContact O-N 2.03Å; L291-D293 VanDerWaalsContact O-N 3.1Å; D293-R320 IonicContact OD1-NH2 3.18Å
294S83.1Confident90.5Very high58 Ų5843.9 Ų43.941%0.40625%0.246SC..THydrogen-bonded Turntrans-100.8-7.1175.656.30000113L291 A296L291-S294 PolarHBondContact O-N 2.76Å; L291-S294 VanDerWaalsContact O-N 3.1Å; L291-S294 PolarHBondContact O-OG 3Å; S294-A296 PolarHBondContact O-N 2.73Å
295T86.8Confident90.2Very high4 Ų443.9 Ų43.93%0.02525%0.253CS..  trans-76.4112.8176.5-60.20000109.4P260 V285 T287 L291 V297 I331 T353 Q354 N355P260-T295 HydrophobicContact CB-CG2 3.76Å; P260-T295 HydrophobicContact CG-CG2 3.85Å; V285-T295 HydrophobicContact CG1-CG2 4.46Å; T287-T295 HydrophobicContact CG2-CG2 4.42Å; T287-T295 PolarHBondContact OG1-OG1 2.77Å; L291-T295 WeakPolarHBondContact O-CB 3.28Å; L291-T295 PolarHBondContact O-N 3.24Å; L291-T295 PolarHBondContact O-OG1 2.77Å; T295-V297 HydrophobicContact CG2-CG2 4.35Å; T295-I331 HydrophobicContact CG2-CD1 3.84Å; T295-T353 WeakPolarHBondContact CG2-OG1 3.46Å; T295-Q354 CarbonylContact C-O 3.58Å; T295-Q354 WeakPolarHBondContact CA-O 3.39Å; T295-N355 HydrophobicContact CG2-CB 4.31Å; T295-N355 WeakPolarHBondContact OG1-CB 3.42Å
296A91.3Very high89.8Confident26 Ų2644.2 Ų44.222%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-76.7140.3173.200000110.1S294 T353 Q354S294-A296 PolarHBondContact O-N 2.73Å; A296-T353 CarbonylContact O-C 3.59Å; A296-T353 WeakPolarHBondContact O-CA 3.28Å; A296-T353 WeakPolarHBondContact O-CB 3.4Å; A296-T353 PolarHBondContact O-OG1 3.05Å; A296-Q354 PolarHBondContact N-O 3.13Å; A296-Q354 PolarHBondContact O-N 3.49Å
297V94.4Very high89.3Confident14 Ų1447.7 Ų47.79%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-140.1119174.7-175.50000107.6C283 V285 T295 I331 V333 V352C283-V297 HydrophobicContact CB-CG1 4.14Å; V285-V297 HydrophobicContact CB-CG2 4.14Å; V285-V297 HydrophobicContact CG1-CG2 4.48Å; V285-V297 HydrophobicContact CG2-CG1 3.86Å; V285-V297 HydrophobicContact CG2-CG2 3.83Å; T295-V297 HydrophobicContact CG2-CG2 4.35Å; V297-I331 HydrophobicContact CG2-CB 4.36Å; V297-I331 HydrophobicContact CG2-CD1 4.39Å; V297-I331 HydrophobicContact CG2-CG2 3.95Å; V297-V333 HydrophobicContact CB-CB 4.48Å; V297-V333 HydrophobicContact CB-CG2 3.74Å; V297-V333 HydrophobicContact CG1-CB 3.97Å; V297-V333 HydrophobicContact CG1-CG2 3.75Å; V297-V352 CarbonylContact C-O 3.58Å; V297-V352 WeakPolarHBondContact CA-O 3.37Å
298T93.3Very high88.7Confident45 Ų4550.8 Ų50.828%0.27629%0.291SS..EExtended strand (participates in β ladder)trans-140.5159.6-176.258.30000111.6V352T298-V352 PolarHBondContact N-O 3.36Å; T298-V352 PolarHBondContact O-N 3.09Å
299W95.3Very high88.6Confident2 Ų248.1 Ų48.11%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-108.2138.9172.7-74.489.2000109.9P265 L281 C283 V306 Q317 F335 M349 K350 C351P265-W299 HydrophobicContact CG-CH2 3.91Å; L281-W299 HydrophobicContact CB-CH2 3.89Å; L281-W299 HydrophobicContact CB-CZ2 3.91Å; L281-W299 HydrophobicContact CD1-CH2 4.14Å; L281-W299 HydrophobicContact CD1-CZ3 4.27Å; C283-W299 HydrophobicContact CB-CZ2 3.72Å; W299-V306 HydrophobicContact CB-CG2 4.18Å; W299-Q317 PolarHBondContact O-OE1 3.31Å; W299-F335 HydrophobicContact CB-CB 4.35Å; W299-F335 HydrophobicContact CB-CD2 4.18Å; W299-F335 HydrophobicContact CB-CG 4.2Å; W299-F335 HydrophobicContact CD2-CB 3.71Å; W299-F335 HydrophobicContact CD2-CD1 4.18Å; W299-F335 HydrophobicContact CD2-CG 4.04Å; W299-F335 HydrophobicContact CE3-CD1 4.18Å; W299-F335 HydrophobicContact CE3-CG 4.49Å; W299-F335 HydrophobicContact CG-CB 3.62Å; W299-F335 HydrophobicContact CG-CD1 4.47Å; W299-F335 HydrophobicContact CG-CD2 4.34Å; W299-F335 AromaticContact CG-CG 3.92Å; W299-F335 HydrophobicContact CG-CG 3.92Å; W299-F335 HydrophobicContact CZ2-CB 4.3Å; W299-M349 HydrophobicContact CE3-CB 4.33Å; W299-M349 HydrophobicContact CZ3-CB 4.12Å; W299-K350 CarbonylContact C-O 3.53Å; W299-K350 WeakPolarHBondContact CA-O 3.29Å; W299-C351 HydrophobicContact CD2-CB 4.3Å; W299-C351 HydrophobicContact CE3-CB 4.25Å; W299-C351 HydrophobicContact CH2-CB 4.29Å; W299-C351 HydrophobicContact CZ2-CB 4.32Å; W299-C351 HydrophobicContact CZ3-CB 4.24Å
300L94.2Very high88.8Confident41 Ų4151 Ų5122%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-117.7143171.2-57.6177.6000109.5Q304 M349 K350 V352L300-Q304 CarbonylContact C-O 3.52Å; L300-Q304 WeakPolarHBondContact CA-O 3.44Å; L300-Q304 WeakPolarHBondContact CB-O 3.34Å; L300-M349 WeakPolarHBondContact O-CA 3.33Å; L300-K350 HydrophobicContact CB-CB 4.29Å; L300-K350 HydrophobicContact CD1-CD 4.49Å; L300-K350 PolarHBondContact N-O 3.39Å; L300-K350 PolarHBondContact O-N 3.36Å; L300-V352 HydrophobicContact CD1-CG2 3.7Å; L300-V352 HydrophobicContact CG-CG2 4.08Å
301V95.6Very high88.9Confident1 Ų142.1 Ų42.11%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-116.8115.5177.1179.60000107G303 Q304 V306 Y310 L311 F335 T347V301-G303 PolarHBondContact O-N 3.49Å; V301-G303 VanDerWaalsContact O-N 3.13Å; V301-Q304 PolarHBondContact N-O 3.39Å; V301-Q304 PolarHBondContact O-N 3.09Å; V301-V306 HydrophobicContact CG2-CG2 4.21Å; V301-Y310 HydrophobicContact CG1-CD1 4.32Å; V301-Y310 HydrophobicContact CG1-CE1 3.81Å; V301-L311 HydrophobicContact CB-CD1 4.36Å; V301-L311 HydrophobicContact CG1-CD1 3.59Å; V301-L311 HydrophobicContact CG1-CG 3.87Å; V301-L311 HydrophobicContact CG2-CD1 3.85Å; V301-F335 HydrophobicContact CG2-CE2 4.25Å; V301-F335 HydrophobicContact CG2-CZ 3.72Å; V301-T347 HydrophobicContact CG1-CG2 3.8Å
302N93Very high88.5Confident85 Ų8544.5 Ų44.546%0.45526%0.258SS..THydrogen-bonded Turntrans49.138.5-174.6-60.6-28.6000112.7Q304 E348N302-Q304 VanDerWaalsContact C-N 3.29Å; N302-Q304 PolarHBondContact O-N 3.05Å; N302-E348 PolarHBondContact N-O 2.98Å; N302-E348 PolarHBondContact OD1-N 3.48Å; N302-E348 VanDerWaalsContact OD1-N 3.08Å
303G87.6Confident88.2Confident48 Ų4855.3 Ų55.350%0.49530%0.298SS..THydrogen-bonded Turntrans79.2-2.8-178.900000116.1V301V301-G303 PolarHBondContact O-N 3.49Å; V301-G303 VanDerWaalsContact O-N 3.13Å
304Q89.2Confident88.3Confident101 Ų10151.2 Ų51.247%0.47228%0.275SS..EExtended strand (participates in β ladder)trans-100.5157.2176.4-67.3-179-20.800111.2L300 V301 N302 S308L300-Q304 CarbonylContact C-O 3.52Å; L300-Q304 WeakPolarHBondContact CA-O 3.44Å; L300-Q304 WeakPolarHBondContact CB-O 3.34Å; V301-Q304 PolarHBondContact N-O 3.39Å; V301-Q304 PolarHBondContact O-N 3.09Å; N302-Q304 VanDerWaalsContact C-N 3.29Å; N302-Q304 PolarHBondContact O-N 3.05Å; Q304-S308 PolarHBondContact OE1-O 3Å
305S88.4Confident88.6Confident54 Ų5448.6 Ų48.638%0.37826%0.257SS..EExtended strand (participates in β ladder)trans-62.815516979.60000110.4E307 S308 S309S305-E307 VanDerWaalsContact C-N 3.29Å; S305-E307 PolarHBondContact O-N 3.07Å; S305-S308 PolarHBondContact N-OG 3.01Å; S305-S308 VanDerWaalsContact N-OG 3.11Å; S305-S308 PolarHBondContact O-N 3.04Å; S305-S308 VanDerWaalsContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 3.3Å; S305-S308 WeakPolarHBondContact OG-CB 3.42Å; S305-S308 PolarHBondContact OG-N 3.08Å; S305-S308 PolarHBondContact OG-OG 3.48Å; S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 2.86Å
306V87.6Confident88.5Confident7 Ų751.5 Ų51.54%0.04227%0.272CS..G310 helixtrans-54.5-46.6180179.80000111.4W299 V301 S308 S309 D312 A315 Q317 F335W299-V306 HydrophobicContact CB-CG2 4.18Å; V301-V306 HydrophobicContact CG2-CG2 4.21Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.34Å; V306-S309 PolarHBondContact O-N 3.01Å; V306-S309 PolarHBondContact O-OG 3.1Å; V306-D312 WeakPolarHBondContact O-CA 3.49Å; V306-D312 PolarHBondContact O-N 2.85Å; V306-A315 HydrophobicContact CG1-CB 3.94Å; V306-A315 WeakPolarHBondContact CG1-O 3.29Å; V306-Q317 HydrophobicContact CG2-CB 4.18Å; V306-F335 HydrophobicContact CB-CE2 4.31Å; V306-F335 HydrophobicContact CG1-CE2 3.79Å; V306-F335 HydrophobicContact CG2-CD2 3.9Å; V306-F335 HydrophobicContact CG2-CE2 3.48Å; V306-F335 VanDerWaalsContact CG2-CE2 3.48Å; V306-F335 HydrophobicContact CG2-CZ 4.41Å
307E83.9Confident88.5Confident103 Ų10353.2 Ų53.248%0.48128%0.275SS..G310 helixtrans-67.8-25.1-179.2-60.8-177.8173.800113.8S305 D312S305-E307 VanDerWaalsContact C-N 3.29Å; S305-E307 PolarHBondContact O-N 3.07Å; E307-D312 VanDerWaalsContact CA-OD1 3.31Å; E307-D312 WeakPolarHBondContact CA-OD1 3.5Å; E307-D312 VanDerWaalsContact O-CB 3.26Å; E307-D312 WeakPolarHBondContact O-CB 3.29Å
308S79.4Confident87.8Confident70 Ų7053.6 Ų53.649%0.4928%0.282SS..G310 helixtrans-94.1-7.7176.860.70000113.6Q304 S305 V306Q304-S308 PolarHBondContact OE1-O 3Å; S305-S308 PolarHBondContact N-OG 3.01Å; S305-S308 VanDerWaalsContact N-OG 3.11Å; S305-S308 PolarHBondContact O-N 3.04Å; S305-S308 VanDerWaalsContact O-N 3.12Å; S305-S308 PolarHBondContact O-OG 3.3Å; S305-S308 WeakPolarHBondContact OG-CB 3.42Å; S305-S308 PolarHBondContact OG-N 3.08Å; S305-S308 PolarHBondContact OG-OG 3.48Å; V306-S308 VanDerWaalsContact C-N 3.31Å; V306-S308 PolarHBondContact O-N 3.34Å
309S89.8Confident86.8Confident10 Ų1053.3 Ų53.37%0.0729%0.288CS..SBendtrans-87.3169-176.176.60000111.8S305 V306 L311 D312S305-S309 WeakPolarHBondContact O-CB 3.29Å; S305-S309 PolarHBondContact O-N 2.86Å; V306-S309 PolarHBondContact O-N 3.01Å; V306-S309 PolarHBondContact O-OG 3.1Å; S309-L311 PolarHBondContact O-N 3.39Å; S309-L311 WeakPolarHBondContact OG-CB 3.31Å; S309-L311 PolarHBondContact OG-N 2.99Å; S309-L311 VanDerWaalsContact OG-N 3.08Å; S309-D312 WeakPolarHBondContact O-CB 3.38Å; S309-D312 PolarHBondContact O-N 2.84Å
310Y89.5Confident86.4Confident89 Ų8957.8 Ų57.835%0.34931%0.305SS..THydrogen-bonded Turntrans-59.8-13.2170.384-78.4000113.1V301 D344 T347V301-Y310 HydrophobicContact CG1-CD1 4.32Å; V301-Y310 HydrophobicContact CG1-CE1 3.81Å; Y310-D344 VanDerWaalsContact CE2-OD1 3.23Å; Y310-D344 WeakPolarHBondContact CE2-OD1 3.29Å; Y310-D344 PolarHBondContact OH-OD1 3.25Å; Y310-T347 HydrophobicContact CE1-CG2 4.25Å; Y310-T347 PolarHBondContact OH-OG1 3.49Å
311L89Confident86.1Confident0 Ų061.7 Ų61.70%032%0.317CS..THydrogen-bonded Turntrans-87.7-5.9175.5-60.1-169.9000114.9V301 S309 R313 R314 A315 F335 I337V301-L311 HydrophobicContact CB-CD1 4.36Å; V301-L311 HydrophobicContact CG1-CD1 3.59Å; V301-L311 HydrophobicContact CG1-CG 3.87Å; V301-L311 HydrophobicContact CG2-CD1 3.85Å; S309-L311 PolarHBondContact O-N 3.39Å; S309-L311 WeakPolarHBondContact OG-CB 3.31Å; S309-L311 PolarHBondContact OG-N 2.99Å; S309-L311 VanDerWaalsContact OG-N 3.08Å; L311-R313 VanDerWaalsContact C-N 3.32Å; L311-R313 PolarHBondContact O-N 2.67Å; L311-R314 HydrophobicContact CB-CG 4.32Å; L311-R314 HydrophobicContact CD2-CG 3.94Å; L311-R314 VanDerWaalsContact CD2-CZ 3.41Å; L311-R314 CarbonylContact O-C 3.57Å; L311-R314 WeakPolarHBondContact O-CG 3.2Å; L311-R314 PolarHBondContact O-N 3.5Å; L311-A315 HydrophobicContact CB-CB 3.68Å; L311-A315 HydrophobicContact CD1-CB 4.23Å; L311-A315 PolarHBondContact O-N 2.84Å; L311-F335 HydrophobicContact CD1-CZ 4.11Å; L311-I337 HydrophobicContact CD1-CD1 4.05Å; L311-I337 HydrophobicContact CD1-CG1 4.41Å
312D78.2Confident85.8Confident70 Ų7064.5 Ų64.537%0.37433%0.334SS..THydrogen-bonded Turntrans-40.3-52.3-174.3171.846.7000114.8V306 E307 S309 R314V306-D312 WeakPolarHBondContact O-CA 3.49Å; V306-D312 PolarHBondContact O-N 2.85Å; E307-D312 VanDerWaalsContact CA-OD1 3.31Å; E307-D312 WeakPolarHBondContact CA-OD1 3.5Å; E307-D312 VanDerWaalsContact O-CB 3.26Å; E307-D312 WeakPolarHBondContact O-CB 3.29Å; S309-D312 WeakPolarHBondContact O-CB 3.38Å; S309-D312 PolarHBondContact O-N 2.84Å; D312-R314 VanDerWaalsContact C-N 3.3Å; D312-R314 PolarHBondContact O-N 3.17Å
313R80.7Confident85.6Confident229 Ų22962.9 Ų62.986%0.86433%0.327SS*.THydrogen-bonded Turntrans-82.3-4-176-60.9-174.2179-169.50.4114.9L311L311-R313 VanDerWaalsContact C-N 3.32Å; L311-R313 PolarHBondContact O-N 2.67Å
314R85Confident85.7Confident19 Ų1970 Ų707%0.07234%0.339CS..THydrogen-bonded Turntrans-135.8-2.6-169.365.8-173.9-134.69248.3113.4R57 L311 D312 I337 S338 A339 T341 D344R57-R314 VanDerWaalsContact NH1-CB 3.29Å; L311-R314 HydrophobicContact CB-CG 4.32Å; L311-R314 HydrophobicContact CD2-CG 3.94Å; L311-R314 VanDerWaalsContact CD2-CZ 3.41Å; L311-R314 CarbonylContact O-C 3.57Å; L311-R314 WeakPolarHBondContact O-CG 3.2Å; L311-R314 PolarHBondContact O-N 3.5Å; D312-R314 VanDerWaalsContact C-N 3.3Å; D312-R314 PolarHBondContact O-N 3.17Å; R314-I337 VanDerWaalsContact NH2-CG2 3.29Å; R314-I337 CarbonylContact O-C 3.42Å; R314-I337 WeakPolarHBondContact O-CA 3.42Å; R314-S338 PolarHBondContact O-N 3.04Å; R314-S338 PolarHBondContact O-OG 2.88Å; R314-A339 PolarHBondContact NH1-O 2.9Å; R314-A339 PolarHBondContact NH2-O 3.36Å; R314-T341 PolarHBondContact NH1-OG1 2.72Å; R314-D344 IonicContact CZ-OD1 3.96Å; R314-D344 IonicContact CZ-OD2 3.66Å; R314-D344 IonicContact NE-OD1 2.8Å; R314-D344 IonicContact NH1-OD1 2.84Å; R314-D344 IonicContact NH1-OD2 3.85Å; R314-D344 PolarHBondContact NH1-OD2 3.4Å; R314-D344 IonicContact NH2-OD1 2.76Å; R314-D344 PolarHBondContact NH2-OD1 2.89Å; R314-D344 IonicContact NH2-OD2 2.88Å; R314-D344 PolarHBondContact NH2-OD2 3.23Å
315A87.9Confident85.3Confident2 Ų268.6 Ų68.62%0.01734%0.337CS..EExtended strand (participates in β ladder)trans-133.4143171.900000110.5V306 L311 F335 I336 I337V306-A315 HydrophobicContact CG1-CB 3.94Å; V306-A315 WeakPolarHBondContact CG1-O 3.29Å; L311-A315 HydrophobicContact CB-CB 3.68Å; L311-A315 HydrophobicContact CD1-CB 4.23Å; L311-A315 PolarHBondContact O-N 2.84Å; A315-F335 HydrophobicContact CB-CE2 3.63Å; A315-F335 HydrophobicContact CB-CZ 3.88Å; A315-I336 CarbonylContact C-O 3.51Å; A315-I336 WeakPolarHBondContact CA-O 3.36Å; A315-I337 HydrophobicContact CB-CB 4.48Å; A315-I337 HydrophobicContact CB-CG1 4.04Å
316L85.5Confident84.4Confident65 Ų6572.1 Ų72.134%0.3436%0.362SS..EExtended strand (participates in β ladder)trans-129.2135.7-177-63167.4000108.2V38 I54 F335 I336V38-L316 HydrophobicContact CG2-CB 3.91Å; V38-L316 HydrophobicContact CG2-CD1 3.61Å; V38-L316 HydrophobicContact CG2-CG 4.37Å; I54-L316 HydrophobicContact CD1-CD1 4.41Å; L316-F335 WeakPolarHBondContact O-CA 3.38Å; L316-I336 PolarHBondContact N-O 2.93Å; L316-I336 PolarHBondContact O-N 3.37Å
317Q90.3Very high83.9Confident62 Ų6274.6 Ų74.629%0.2939%0.388SS..EExtended strand (participates in β ladder)trans-108.6134.7169.2-178.1-171.1-55.800108.8W299 V306 V333 R334 F335W299-Q317 PolarHBondContact O-OE1 3.31Å; V306-Q317 HydrophobicContact CG2-CB 4.18Å; Q317-V333 HydrophobicContact CG-CG1 3.91Å; Q317-R334 WeakPolarHBondContact CA-O 3.45Å; Q317-F335 HydrophobicContact CB-CD2 4.47Å
318G79.4Confident84.1Confident23 Ų2374.7 Ų74.724%0.23738%0.384CS..EExtended strand (participates in β ladder)trans172.6-163179.100000114.7R334G318-R334 PolarHBondContact N-O 3.17Å; G318-R334 WeakPolarHBondContact O-CB 3.37Å; G318-R334 PolarHBondContact O-N 3Å
319G74.1Confident84.6Confident38 Ų3871.9 Ų71.939%0.39237%0.365SS..EExtended strand (participates in β ladder)trans67.843175.800000113.9R321G319-R321 PolarHBondContact O-N 2.66Å; G319-R321 VanDerWaalsContact O-N 3.09Å
320R85.7Confident84.8Confident97 Ų9773.3 Ų73.337%0.36637%0.37SS..EExtended strand (participates in β ladder)trans-61.5111.4178.4-178.5176.7175-87.81.1110.4A292 D293 I331 E332 V333A292-R320 PolarHBondContact O-NH2 3.32Å; D293-R320 IonicContact OD1-NH2 3.18Å; R320-I331 HydrophobicContact CG-CG2 4.03Å; R320-E332 CarbonylContact C-O 3.42Å; R320-E332 WeakPolarHBondContact CA-O 2.94Å; R320-V333 HydrophobicContact CB-CG2 4.29Å; R320-V333 HydrophobicContact CG-CG2 4.28Å
321R87.9Confident85Confident123 Ų12369 Ų6946%0.46435%0.354SS..EExtended strand (participates in β ladder)trans-114.7131.1177-174.4173.668.4175.51.9110.2G319 T323 I331 E332G319-R321 PolarHBondContact O-N 2.66Å; G319-R321 VanDerWaalsContact O-N 3.09Å; R321-T323 HydrophobicContact CG-CG2 4.3Å; R321-I331 CarbonylContact O-C 3.58Å; R321-I331 WeakPolarHBondContact O-CA 3.45Å; R321-E332 HydrophobicContact CB-CB 4.4Å; R321-E332 IonicContact CZ-OE1 3.99Å; R321-E332 IonicContact CZ-OE2 3.93Å; R321-E332 PolarHBondContact N-O 2.78Å; R321-E332 IonicContact NE-OE1 3.46Å; R321-E332 IonicContact NE-OE2 3.36Å; R321-E332 IonicContact NH2-OE1 3.65Å; R321-E332 PolarHBondContact NH2-OE1 2.85Å; R321-E332 IonicContact NH2-OE2 2.88Å; R321-E332 PolarHBondContact NH2-OE2 3.32Å; R321-E332 PolarHBondContact O-N 2.89Å
322V89.6Confident85.2Confident59 Ų5969.5 Ų69.536%0.35836%0.356SS..EExtended strand (participates in β ladder)trans-113.5121.3176.5-173.60000109.4A292 C329 Q330 I331A292-V322 HydrophobicContact CB-CG1 4.14Å; V322-C329 HydrophobicContact CG1-CB 4.06Å; V322-Q330 CarbonylContact C-O 3.52Å; V322-Q330 WeakPolarHBondContact CA-O 3.23Å; V322-I331 HydrophobicContact CG2-CG1 4.28Å
323T87.9Confident85.7Confident51 Ų5166.4 Ų66.431%0.31334%0.339SS..EExtended strand (participates in β ladder)trans-119.2134.1177.353.10000110R321 C329 Q330R321-T323 HydrophobicContact CG-CG2 4.3Å; T323-C329 CarbonylContact O-C 3.48Å; T323-C329 WeakPolarHBondContact O-CA 3.44Å; T323-Q330 PolarHBondContact N-O 3.5Å; T323-Q330 PolarHBondContact O-N 3.08Å
324R89.6Confident86.2Confident197 Ų19759.4 Ų59.474%0.74331%0.313SS*.EExtended strand (participates in β ladder)trans-84.3123.2174.6-179.1177.7-87.5-177.2-4.5109R328R324-R328 CarbonylContact C-O 3.55Å
325V82.3Confident86.6Confident72 Ų7258.5 Ų58.544%0.43631%0.31SS..EExtended strand (participates in β ladder)trans-130.9114.6-179.2-173.80000108.8G327 R328 Q330V325-G327 VanDerWaalsContact C-N 3.29Å; V325-G327 PolarHBondContact O-N 2.6Å; V325-G327 VanDerWaalsContact O-N 3.12Å; V325-R328 CarbonylContact C-O 3.57Å; V325-R328 PolarHBondContact N-O 3.41Å; V325-R328 PolarHBondContact O-N 3.01Å; V325-Q330 HydrophobicContact CG2-CB 4.35Å
326S69.7Low86.8Confident129 Ų12959.4 Ų59.490%0.90231%0.314SS*.THydrogen-bonded Turntrans5042.1170.8-55.40000115.1R328S326-R328 VanDerWaalsContact C-N 3.33Å; S326-R328 PolarHBondContact O-N 2.85Å
327G77.3Confident87.1Confident58 Ų5856.3 Ų56.360%0.59830%0.298SS*.THydrogen-bonded Turntrans87.2-8.3178.700000115.4V325V325-G327 VanDerWaalsContact C-N 3.29Å; V325-G327 PolarHBondContact O-N 2.6Å; V325-G327 VanDerWaalsContact O-N 3.12Å
328R87.7Confident86.6Confident105 Ų10554.2 Ų54.240%0.39629%0.29SS..EExtended strand (participates in β ladder)trans-110.1167170.1-67.2-167.2173.5-1797.9111.1V286 E288 R324 V325 S326V286-R328 HydrophobicContact CG1-CB 3.9Å; V286-R328 HydrophobicContact CG1-CG 4.48Å; E288-R328 IonicContact OE1-CZ 3.6Å; E288-R328 IonicContact OE1-NE 2.69Å; E288-R328 PolarHBondContact OE1-NE 3.18Å; E288-R328 IonicContact OE1-NH2 3.61Å; R324-R328 CarbonylContact C-O 3.55Å; V325-R328 CarbonylContact C-O 3.57Å; V325-R328 PolarHBondContact N-O 3.41Å; V325-R328 PolarHBondContact O-N 3.01Å; S326-R328 VanDerWaalsContact C-N 3.33Å; S326-R328 PolarHBondContact O-N 2.85Å
329C89.8Confident86.7Confident11 Ų1153.3 Ų53.37%0.07428%0.28CS..EExtended strand (participates in β ladder)trans-113.5129.9176.2-79.90000109.4T287 C289 A292 V322 T323T287-C329 PolarHBondContact N-O 2.69Å; T287-C329 PolarHBondContact O-N 3.05Å; T287-C329 VanDerWaalsContact O-O 3.1Å; C289-C329 WeakPolarHBondContact CA-SG 3.48Å; C289-C329 HydrophobicContact CB-CB 3.97Å; C289-C329 WeakPolarHBondContact CB-SG 3.18Å; C289-C329 WeakPolarHBondContact SG-CB 3.47Å; C289-C329 PolarHBondContact SG-N 2.86Å; C289-C329 CovalentContact SG-SG 2.05Å; C289-C329 PolarHBondContact SG-SG 2.89Å; A292-C329 HydrophobicContact CB-CB 3.76Å; V322-C329 HydrophobicContact CG1-CB 4.06Å; T323-C329 CarbonylContact O-C 3.48Å; T323-C329 WeakPolarHBondContact O-CA 3.44Å
330Q93.9Very high87.3Confident40 Ų4051.5 Ų51.519%0.18726%0.261CS..EExtended strand (participates in β ladder)trans-99125.7174-178.4174.5-50.800108.5V285 V286 V322 T323 V325V285-Q330 CarbonylContact O-C 3.53Å; V285-Q330 VanDerWaalsContact O-CA 3.3Å; V285-Q330 WeakPolarHBondContact O-CA 3.37Å; V286-Q330 HydrophobicContact CG2-CB 4.46Å; V286-Q330 HydrophobicContact CG2-CG 4.43Å; V322-Q330 CarbonylContact C-O 3.52Å; V322-Q330 WeakPolarHBondContact CA-O 3.23Å; T323-Q330 PolarHBondContact N-O 3.5Å; T323-Q330 PolarHBondContact O-N 3.08Å; V325-Q330 HydrophobicContact CG2-CB 4.35Å
331I92.6Very high87.3Confident0 Ų048.7 Ų48.70%026%0.255CS..EExtended strand (participates in β ladder)trans-104129.5175.6-52.5172.5000106.9Q284 V285 T287 A292 T295 V297 R320 R321 V322 V333Q284-I331 CarbonylContact C-O 3.58Å; Q284-I331 WeakPolarHBondContact CA-O 3.34Å; V285-I331 HydrophobicContact CB-CB 4.43Å; V285-I331 PolarHBondContact N-O 2.76Å; V285-I331 PolarHBondContact O-N 2.69Å; T287-I331 HydrophobicContact CG2-CD1 3.79Å; T287-I331 HydrophobicContact CG2-CG1 4.28Å; A292-I331 HydrophobicContact CB-CD1 4.43Å; A292-I331 VanDerWaalsContact O-CD1 3.29Å; A292-I331 WeakPolarHBondContact O-CD1 3.44Å; T295-I331 HydrophobicContact CG2-CD1 3.84Å; V297-I331 HydrophobicContact CG2-CB 4.36Å; V297-I331 HydrophobicContact CG2-CD1 4.39Å; V297-I331 HydrophobicContact CG2-CG2 3.95Å; R320-I331 HydrophobicContact CG-CG2 4.03Å; R321-I331 CarbonylContact O-C 3.58Å; R321-I331 WeakPolarHBondContact O-CA 3.45Å; V322-I331 HydrophobicContact CG2-CG1 4.28Å; I331-V333 HydrophobicContact CG2-CG2 4.33Å
332E93.2Very high87.1Confident9 Ų947.9 Ų47.94%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-118125.6176.1-175.8-177.7107.700108.7F282 C283 Q284 R320 R321F282-E332 HydrophobicContact CD1-CG 3.89Å; C283-E332 WeakPolarHBondContact O-CA 3.25Å; Q284-E332 HydrophobicContact CG-CG 4.19Å; Q284-E332 PolarHBondContact NE2-OE2 3.44Å; R320-E332 CarbonylContact C-O 3.42Å; R320-E332 WeakPolarHBondContact CA-O 2.94Å; R321-E332 HydrophobicContact CB-CB 4.4Å; R321-E332 IonicContact CZ-OE1 3.99Å; R321-E332 IonicContact CZ-OE2 3.93Å; R321-E332 PolarHBondContact N-O 2.78Å; R321-E332 IonicContact NE-OE1 3.46Å; R321-E332 IonicContact NE-OE2 3.36Å; R321-E332 IonicContact NH2-OE1 3.65Å; R321-E332 PolarHBondContact NH2-OE1 2.85Å; R321-E332 IonicContact NH2-OE2 2.88Å; R321-E332 PolarHBondContact NH2-OE2 3.32Å; R321-E332 PolarHBondContact O-N 2.89Å
333V90.6Very high86.9Confident5 Ų552.6 Ų52.63%0.0327%0.274CS..EExtended strand (participates in β ladder)trans-124.2129.5173.9177.50000109.2C283 V297 Q317 R320 I331C283-V333 PolarHBondContact N-O 3.36Å; C283-V333 PolarHBondContact O-N 3.23Å; V297-V333 HydrophobicContact CB-CB 4.48Å; V297-V333 HydrophobicContact CB-CG2 3.74Å; V297-V333 HydrophobicContact CG1-CB 3.97Å; V297-V333 HydrophobicContact CG1-CG2 3.75Å; Q317-V333 HydrophobicContact CG-CG1 3.91Å; R320-V333 HydrophobicContact CB-CG2 4.29Å; R320-V333 HydrophobicContact CG-CG2 4.28Å; I331-V333 HydrophobicContact CG2-CG2 4.33Å
334R90.9Very high87Confident82 Ų8250.1 Ų50.131%0.30926%0.259SS..EExtended strand (participates in β ladder)trans-90.9144.4-177.8-57.4-176.9-179.7-164.86.2110.7E280 L281 F282 Q317 G318E280-R334 WeakPolarHBondContact OE1-CD 3.36Å; E280-R334 IonicContact OE1-CZ 3.39Å; E280-R334 IonicContact OE1-NE 2.96Å; E280-R334 IonicContact OE1-NH1 3.73Å; E280-R334 PolarHBondContact OE1-NH1 3.49Å; L281-R334 WeakPolarHBondContact O-CA 3.2Å; F282-R334 HydrophobicContact CD1-CG 3.89Å; F282-R334 HydrophobicContact CE1-CG 3.75Å; Q317-R334 WeakPolarHBondContact CA-O 3.45Å; G318-R334 PolarHBondContact N-O 3.17Å; G318-R334 WeakPolarHBondContact O-CB 3.37Å; G318-R334 PolarHBondContact O-N 3Å
335F93.8Very high86.9Confident1 Ų145.7 Ų45.70%0.00425%0.247CC..EExtended strand (participates in β ladder)trans-130.7117.3169.1175.5-118.4000108.3L281 W299 V301 V306 L311 A315 L316 Q317 I337 M349L281-F335 HydrophobicContact CB-CB 4.41Å; L281-F335 HydrophobicContact CB-CD1 4.42Å; L281-F335 HydrophobicContact CD1-CD1 4.06Å; L281-F335 HydrophobicContact CG-CD1 4.45Å; L281-F335 PolarHBondContact N-O 2.91Å; L281-F335 PolarHBondContact O-N 2.77Å; W299-F335 HydrophobicContact CB-CB 4.35Å; W299-F335 HydrophobicContact CB-CD2 4.18Å; W299-F335 HydrophobicContact CB-CG 4.2Å; W299-F335 HydrophobicContact CD2-CB 3.71Å; W299-F335 HydrophobicContact CD2-CD1 4.18Å; W299-F335 HydrophobicContact CD2-CG 4.04Å; W299-F335 HydrophobicContact CE3-CD1 4.18Å; W299-F335 HydrophobicContact CE3-CG 4.49Å; W299-F335 HydrophobicContact CG-CB 3.62Å; W299-F335 HydrophobicContact CG-CD1 4.47Å; W299-F335 HydrophobicContact CG-CD2 4.34Å; W299-F335 AromaticContact CG-CG 3.92Å; W299-F335 HydrophobicContact CG-CG 3.92Å; W299-F335 HydrophobicContact CZ2-CB 4.3Å; V301-F335 HydrophobicContact CG2-CE2 4.25Å; V301-F335 HydrophobicContact CG2-CZ 3.72Å; V306-F335 HydrophobicContact CB-CE2 4.31Å; V306-F335 HydrophobicContact CG1-CE2 3.79Å; V306-F335 HydrophobicContact CG2-CD2 3.9Å; V306-F335 HydrophobicContact CG2-CE2 3.48Å; V306-F335 VanDerWaalsContact CG2-CE2 3.48Å; V306-F335 HydrophobicContact CG2-CZ 4.41Å; L311-F335 HydrophobicContact CD1-CZ 4.11Å; A315-F335 HydrophobicContact CB-CE2 3.63Å; A315-F335 HydrophobicContact CB-CZ 3.88Å; L316-F335 WeakPolarHBondContact O-CA 3.38Å; Q317-F335 HydrophobicContact CB-CD2 4.47Å; F335-I337 HydrophobicContact CE1-CD1 3.9Å; F335-I337 HydrophobicContact CE1-CG1 3.8Å; F335-I337 HydrophobicContact CZ-CD1 4.21Å; F335-I337 HydrophobicContact CZ-CG1 3.89Å; F335-M349 HydrophobicContact CE1-CG 4.13Å; F335-M349 HydrophobicContact CE1-SD 3.91Å
336I90.1Very high87.1Confident21 Ų2149.4 Ų49.411%0.10826%0.257CS..EExtended strand (participates in β ladder)trans-119122-172.8-61.8169.2000107.7I54 L279 E280 A315 L316I54-I336 HydrophobicContact CD1-CG2 4.49Å; L279-I336 CarbonylContact O-C 3.43Å; L279-I336 WeakPolarHBondContact O-CA 3.46Å; E280-I336 HydrophobicContact CB-CG1 4.25Å; E280-I336 HydrophobicContact CG-CD1 4.48Å; E280-I336 HydrophobicContact CG-CG1 3.9Å; A315-I336 CarbonylContact C-O 3.51Å; A315-I336 WeakPolarHBondContact CA-O 3.36Å; L316-I336 PolarHBondContact N-O 2.93Å; L316-I336 PolarHBondContact O-N 3.37Å
337I92.3Very high88.1Confident0 Ų043.5 Ų43.50%022%0.216CC..EExtended strand (participates in β ladder)trans-97.6120.2166.5-51.3175.6000107G278 L279 L311 R314 A315 F335 A339 I340 M349G278-I337 CarbonylContact C-O 3.59Å; G278-I337 WeakPolarHBondContact CA-O 3.47Å; L279-I337 PolarHBondContact N-O 2.79Å; L279-I337 PolarHBondContact O-N 2.88Å; L311-I337 HydrophobicContact CD1-CD1 4.05Å; L311-I337 HydrophobicContact CD1-CG1 4.41Å; R314-I337 VanDerWaalsContact NH2-CG2 3.29Å; R314-I337 CarbonylContact O-C 3.42Å; R314-I337 WeakPolarHBondContact O-CA 3.42Å; A315-I337 HydrophobicContact CB-CB 4.48Å; A315-I337 HydrophobicContact CB-CG1 4.04Å; F335-I337 HydrophobicContact CE1-CD1 3.9Å; F335-I337 HydrophobicContact CE1-CG1 3.8Å; F335-I337 HydrophobicContact CZ-CD1 4.21Å; F335-I337 HydrophobicContact CZ-CG1 3.89Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 3Å; I337-I340 HydrophobicContact CB-CD1 3.84Å; I337-I340 HydrophobicContact CD1-CD1 3.93Å; I337-I340 HydrophobicContact CG1-CD1 4.49Å; I337-I340 HydrophobicContact CG2-CD1 3.64Å; I337-M349 HydrophobicContact CD1-SD 4.04Å
338S80.6Confident89Confident18 Ų1843.9 Ų43.913%0.12620%0.202CC..SBendtrans-66.7-33.1-172.5-50.30000113.2G278 R314G278-S338 WeakPolarHBondContact CA-O 3.49Å; R314-S338 PolarHBondContact O-N 3.04Å; R314-S338 PolarHBondContact O-OG 2.88Å
339A80.4Confident89.3Confident3 Ų338.9 Ų38.93%0.02518%0.183CC..SBendtrans-154.4125.6178.300000110.2L61 S277 R314 I337L61-A339 HydrophobicContact CD1-CB 3.59Å; S277-A339 CarbonylContact O-C 3.58Å; S277-A339 VanDerWaalsContact O-CA 3.29Å; S277-A339 WeakPolarHBondContact O-CA 3.41Å; R314-A339 PolarHBondContact NH1-O 2.9Å; R314-A339 PolarHBondContact NH2-O 3.36Å; I337-A339 VanDerWaalsContact C-N 3.33Å; I337-A339 PolarHBondContact O-N 3Å
340I86.9Confident89.6Confident0 Ų040 Ų400%019%0.187CC..  trans-77.2131.9174.3-59.9-46000110.6S273 G276 S277 L279 I337 D344 L366 L368S273-I340 WeakPolarHBondContact OG-CG1 3.05Å; G276-I340 VanDerWaalsContact CA-O 3.28Å; G276-I340 WeakPolarHBondContact CA-O 3.35Å; G276-I340 PolarHBondContact N-O 3.36Å; S277-I340 PolarHBondContact O-N 3.02Å; L279-I340 HydrophobicContact CB-CD1 3.91Å; L279-I340 HydrophobicContact CB-CG1 4.19Å; L279-I340 HydrophobicContact CD2-CD1 4.34Å; I337-I340 HydrophobicContact CB-CD1 3.84Å; I337-I340 HydrophobicContact CD1-CD1 3.93Å; I337-I340 HydrophobicContact CG1-CD1 4.49Å; I337-I340 HydrophobicContact CG2-CD1 3.64Å; I340-D344 WeakPolarHBondContact CA-OD2 3.28Å; I340-D344 HydrophobicContact CG2-CB 4.31Å; I340-L366 HydrophobicContact CD1-CD2 3.73Å; I340-L366 HydrophobicContact CG1-CD2 4.4Å; I340-L366 HydrophobicContact CG2-CD2 4.07Å; I340-L368 HydrophobicContact CG2-CD1 3.68Å; I340-L368 HydrophobicContact CG2-CD2 4.48Å; I340-L368 HydrophobicContact CG2-CG 3.95Å
341T85.4Confident89.7Confident38 Ų3838.1 Ų38.123%0.23318%0.178CC..  trans-114.3164.9176.345.70000110.1R314 E343 D344R314-T341 PolarHBondContact NH1-OG1 2.72Å; T341-E343 PolarHBondContact O-N 3.23Å; T341-D344 PolarHBondContact N-OD2 3.09Å; T341-D344 WeakPolarHBondContact O-CB 3.42Å; T341-D344 PolarHBondContact O-N 3.19Å; T341-D344 PolarHBondContact OG1-OD1 3.13Å; T341-D344 PolarHBondContact OG1-OD2 3.24Å; T341-D344 VanDerWaalsContact OG1-OD2 3.05Å
342E83.5Confident89.9Confident107 Ų10738.7 Ų38.750%0.518%0.181SC..G310 helixtrans-59.6-31.9176.9-44.2-163.4167.400112.4R20 D344 E345R20-E342 IonicContact CZ-OE1 3.97Å; R20-E342 IonicContact NE-OE1 2.87Å; R20-E342 PolarHBondContact NE-OE1 2.67Å; R20-E342 IonicContact NH1-OE1 2.65Å; R20-E342 PolarHBondContact NH1-OE1 2.05Å; R20-E342 IonicContact NH2-OE1 3.99Å; R20-E342 PolarHBondContact NH2-OE1 2.86Å; R20-E342 IonicContact NH2-OE2 3.09Å; R20-E342 PolarHBondContact NH2-OE2 3.35Å; E342-D344 PolarHBondContact O-N 3Å; E342-D344 VanDerWaalsContact O-N 3.13Å; E342-E345 WeakPolarHBondContact O-CB 3.36Å; E342-E345 PolarHBondContact O-N 3.07Å
343E86.1Confident89.9Confident157 Ų15738.3 Ų38.373%0.73418%0.18SC*.G310 helixtrans-61.5-17.8175.4-62.1178.7-175.100113.5T341 E345T341-E343 PolarHBondContact O-N 3.23Å; E343-E345 VanDerWaalsContact C-N 3.35Å
344D89.4Confident90Very high0 Ų040.6 Ų40.60%019%0.19CC..G310 helixtrans-88.8-4.4-179-49.8-44.8000113.5Y310 R314 I340 T341 E342 K346 T347 L366Y310-D344 VanDerWaalsContact CE2-OD1 3.23Å; Y310-D344 WeakPolarHBondContact CE2-OD1 3.29Å; Y310-D344 PolarHBondContact OH-OD1 3.25Å; R314-D344 IonicContact CZ-OD1 3.96Å; R314-D344 IonicContact CZ-OD2 3.66Å; R314-D344 IonicContact NE-OD1 2.8Å; R314-D344 IonicContact NH1-OD1 2.84Å; R314-D344 IonicContact NH1-OD2 3.85Å; R314-D344 PolarHBondContact NH1-OD2 3.4Å; R314-D344 IonicContact NH2-OD1 2.76Å; R314-D344 PolarHBondContact NH2-OD1 2.89Å; R314-D344 IonicContact NH2-OD2 2.88Å; R314-D344 PolarHBondContact NH2-OD2 3.23Å; I340-D344 WeakPolarHBondContact CA-OD2 3.28Å; I340-D344 HydrophobicContact CG2-CB 4.31Å; T341-D344 PolarHBondContact N-OD2 3.09Å; T341-D344 WeakPolarHBondContact O-CB 3.42Å; T341-D344 PolarHBondContact O-N 3.19Å; T341-D344 PolarHBondContact OG1-OD1 3.13Å; T341-D344 PolarHBondContact OG1-OD2 3.24Å; T341-D344 VanDerWaalsContact OG1-OD2 3.05Å; E342-D344 PolarHBondContact O-N 3Å; E342-D344 VanDerWaalsContact O-N 3.13Å; D344-K346 PolarHBondContact O-N 3.34Å; D344-T347 WeakPolarHBondContact CA-OG1 3.24Å; D344-T347 VanDerWaalsContact O-CB 3.29Å; D344-T347 WeakPolarHBondContact O-CB 3.33Å; D344-T347 PolarHBondContact O-N 3.5Å; D344-T347 PolarHBondContact O-OG1 2.84Å; D344-L366 HydrophobicContact CB-CD2 3.47Å; D344-L366 VanDerWaalsContact CB-CD2 3.47Å; D344-L366 WeakPolarHBondContact O-CD2 3.4Å
345E87.7Confident90Very high104 Ų10437.3 Ų37.349%0.48618%0.179SC..THydrogen-bonded Turntrans-58.8127177.8-157.3-167.8148.700109.8E342 E343 T347 L368E342-E345 WeakPolarHBondContact O-CB 3.36Å; E342-E345 PolarHBondContact O-N 3.07Å; E343-E345 VanDerWaalsContact C-N 3.35Å; E345-T347 VanDerWaalsContact C-N 3.26Å; E345-T347 PolarHBondContact O-N 3.3Å; E345-L368 HydrophobicContact CB-CD1 3.96Å; E345-L368 HydrophobicContact CG-CD1 4.25Å
346K86.2Confident89.7Confident150 Ų15042 Ų4265%0.65221%0.207SC*.THydrogen-bonded Turntrans66.422.3-176.7-51.8164.9-176.61690114.4D344 E348 M365 L366D344-K346 PolarHBondContact O-N 3.34Å; K346-E348 PolarHBondContact O-N 2.87Å; K346-M365 HydrophobicContact CB-CE 4.38Å; K346-L366 WeakPolarHBondContact CA-O 3.26Å; K346-L366 PolarHBondContact N-O 2.71Å
347T92.4Very high89.4Confident5 Ų542.2 Ų42.23%0.03122%0.215CC..  trans-61.7127169.4-58.40000110.1V301 Y310 D344 E345 M349 L366V301-T347 HydrophobicContact CG1-CG2 3.8Å; Y310-T347 HydrophobicContact CE1-CG2 4.25Å; Y310-T347 PolarHBondContact OH-OG1 3.49Å; D344-T347 WeakPolarHBondContact CA-OG1 3.24Å; D344-T347 VanDerWaalsContact O-CB 3.29Å; D344-T347 WeakPolarHBondContact O-CB 3.33Å; D344-T347 PolarHBondContact O-N 3.5Å; D344-T347 PolarHBondContact O-OG1 2.84Å; E345-T347 VanDerWaalsContact C-N 3.26Å; E345-T347 PolarHBondContact O-N 3.3Å; T347-M349 HydrophobicContact CG2-CG 4.2Å; T347-L366 PolarHBondContact O-N 2.99Å; T347-L366 VanDerWaalsContact O-N 3.17Å
348E94.7Very high89.2Confident65 Ų6543.5 Ų43.530%0.30423%0.228SC..EExtended strand (participates in β ladder)trans-83.3115.8174.1-169.9-174.4100.600109.2N302 K346 V363 M365N302-E348 PolarHBondContact N-O 2.98Å; N302-E348 PolarHBondContact OD1-N 3.48Å; N302-E348 VanDerWaalsContact OD1-N 3.08Å; K346-E348 PolarHBondContact O-N 2.87Å; E348-V363 HydrophobicContact CG-CG1 3.38Å; E348-M365 HydrophobicContact CB-SD 3.97Å; E348-M365 HydrophobicContact CG-SD 4.14Å
349M94.6Very high89.8Confident0 Ų047.7 Ų47.70%024%0.244CC..EExtended strand (participates in β ladder)trans-112.9119.2176.2-60.7165.3-65.200108.3F271 L281 W299 L300 F335 I337 T347 T364 L366F271-M349 HydrophobicContact CD2-CE 4.35Å; L281-M349 HydrophobicContact CD1-CE 3.89Å; L281-M349 HydrophobicContact CD1-SD 3.58Å; L281-M349 VanDerWaalsContact CD1-SD 3.58Å; W299-M349 HydrophobicContact CE3-CB 4.33Å; W299-M349 HydrophobicContact CZ3-CB 4.12Å; L300-M349 WeakPolarHBondContact O-CA 3.33Å; F335-M349 HydrophobicContact CE1-CG 4.13Å; F335-M349 HydrophobicContact CE1-SD 3.91Å; I337-M349 HydrophobicContact CD1-SD 4.04Å; T347-M349 HydrophobicContact CG2-CG 4.2Å; M349-T364 PolarHBondContact N-O 3Å; M349-T364 PolarHBondContact O-N 3.39Å; M349-T364 PolarHBondContact O-OG1 3.38Å; M349-L366 HydrophobicContact CE-CB 3.69Å
350K96.4Very high90.4Very high36 Ų3651.8 Ų51.816%0.15726%0.263CS..EExtended strand (participates in β ladder)trans-115.4121.4-175.4-175.5-176.1-66-161.40110W299 L300 V352 E361 V362 V363W299-K350 CarbonylContact C-O 3.53Å; W299-K350 WeakPolarHBondContact CA-O 3.29Å; L300-K350 HydrophobicContact CB-CB 4.29Å; L300-K350 HydrophobicContact CD1-CD 4.49Å; L300-K350 PolarHBondContact N-O 3.39Å; L300-K350 PolarHBondContact O-N 3.36Å; K350-V352 HydrophobicContact CD-CG2 3.87Å; K350-V352 HydrophobicContact CG-CG2 3.85Å; K350-E361 HydrophobicContact CD-CB 4.05Å; K350-E361 HydrophobicContact CD-CG 4.41Å; K350-E361 HydrophobicContact CG-CB 4.17Å; K350-E361 IonicContact NZ-OE1 3.54Å; K350-E361 PolarHBondContact NZ-OE1 2.98Å; K350-V362 CarbonylContact C-O 3.55Å; K350-V362 VanDerWaalsContact CA-O 3.23Å; K350-V362 WeakPolarHBondContact CA-O 3.29Å; K350-V362 WeakPolarHBondContact CG-O 3.42Å; K350-V363 HydrophobicContact CD-CG2 4.48Å; K350-V363 HydrophobicContact CG-CG2 4.25Å
351C96.3Very high90.8Very high0 Ų055.2 Ų55.20%028%0.279CS..EExtended strand (participates in β ladder)trans-85129.2165-178.50000109.3I262 C283 W299 E361 V362I262-C351 HydrophobicContact CD1-CB 4.42Å; I262-C351 WeakPolarHBondContact CD1-O 3.31Å; C283-C351 HydrophobicContact CB-CB 3.77Å; C283-C351 WeakPolarHBondContact CB-SG 3.45Å; C283-C351 WeakPolarHBondContact SG-CB 3.05Å; C283-C351 CovalentContact SG-SG 2Å; C283-C351 PolarHBondContact SG-SG 2.85Å; W299-C351 HydrophobicContact CD2-CB 4.3Å; W299-C351 HydrophobicContact CE3-CB 4.25Å; W299-C351 HydrophobicContact CH2-CB 4.29Å; W299-C351 HydrophobicContact CZ2-CB 4.32Å; W299-C351 HydrophobicContact CZ3-CB 4.24Å; C351-E361 CarbonylContact O-C 3.57Å; C351-E361 VanDerWaalsContact O-CA 3.28Å; C351-E361 WeakPolarHBondContact O-CA 3.47Å; C351-V362 PolarHBondContact N-O 2.92Å; C351-V362 PolarHBondContact O-N 3.3Å
352V95.8Very high91.3Very high11 Ų1153.9 Ų53.97%0.06727%0.271CS..EExtended strand (participates in β ladder)trans-120.6130.8178.9-176.30000108.7V297 T298 L300 K350 K359 E361V297-V352 CarbonylContact C-O 3.58Å; V297-V352 WeakPolarHBondContact CA-O 3.37Å; T298-V352 PolarHBondContact N-O 3.36Å; T298-V352 PolarHBondContact O-N 3.09Å; L300-V352 HydrophobicContact CD1-CG2 3.7Å; L300-V352 HydrophobicContact CG-CG2 4.08Å; K350-V352 HydrophobicContact CD-CG2 3.87Å; K350-V352 HydrophobicContact CG-CG2 3.85Å; V352-K359 HydrophobicContact CG1-CD 4.42Å; V352-K359 HydrophobicContact CG1-CG 4.32Å; V352-E361 HydrophobicContact CG2-CB 4.07Å
353T94.6Very high91.8Very high1 Ų150.6 Ų50.61%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-131144.4172-175.60000111.6P260 I262 V285 T295 A296 K359 Q360P260-T353 HydrophobicContact CB-CG2 4.06Å; P260-T353 HydrophobicContact CG-CG2 3.96Å; I262-T353 HydrophobicContact CD1-CG2 3.92Å; I262-T353 HydrophobicContact CG1-CG2 3.49Å; I262-T353 VanDerWaalsContact CG1-CG2 3.49Å; V285-T353 HydrophobicContact CG1-CG2 3.9Å; V285-T353 HydrophobicContact CG2-CG2 4.08Å; T295-T353 WeakPolarHBondContact CG2-OG1 3.46Å; A296-T353 CarbonylContact O-C 3.59Å; A296-T353 WeakPolarHBondContact O-CA 3.28Å; A296-T353 WeakPolarHBondContact O-CB 3.4Å; A296-T353 PolarHBondContact O-OG1 3.05Å; T353-K359 CarbonylContact O-C 3.58Å; T353-K359 WeakPolarHBondContact O-CA 3.42Å; T353-Q360 HydrophobicContact CG2-CB 3.9Å; T353-Q360 PolarHBondContact N-O 3.24Å; T353-Q360 PolarHBondContact O-N 2.5Å; T353-Q360 VanDerWaalsContact O-O 3.08Å
354Q92.8Very high92.3Very high53 Ų5343.1 Ų43.125%0.24822%0.223CC..EExtended strand (participates in β ladder)trans-148.5135.9-175.9-171.5168.1-23.100110.9E224 T295 A296 G358 K359E224-Q354 PolarHBondContact OE2-NE2 2.99Å; E224-Q354 PolarHBondContact OE2-OE1 3.34Å; T295-Q354 CarbonylContact C-O 3.58Å; T295-Q354 WeakPolarHBondContact CA-O 3.39Å; A296-Q354 PolarHBondContact N-O 3.13Å; A296-Q354 PolarHBondContact O-N 3.49Å; Q354-G358 WeakPolarHBondContact CA-O 3.31Å; Q354-K359 HydrophobicContact CB-CB 4.33Å; Q354-K359 HydrophobicContact CB-CG 4.25Å; Q354-K359 HydrophobicContact CG-CB 3.98Å; Q354-K359 HydrophobicContact CG-CG 4.32Å
355N90.3Very high92.4Very high14 Ų1446.4 Ų46.48%0.07524%0.239CC..EExtended strand (participates in β ladder)trans-135.7-176.3167.974.18.2000109.5K258 P260 T287 T295 G357 G358K258-N355 PolarHBondContact O-ND2 3.01Å; K258-N355 PolarHBondContact O-OD1 2.9Å; P260-N355 VanDerWaalsContact CD-CG 3.45Å; P260-N355 WeakPolarHBondContact CD-OD1 3.43Å; P260-N355 HydrophobicContact CG-CB 3.99Å; T287-N355 PolarHBondContact OG1-ND2 2.76Å; T295-N355 HydrophobicContact CG2-CB 4.31Å; T295-N355 WeakPolarHBondContact OG1-CB 3.42Å; N355-G357 PolarHBondContact O-N 2.81Å; N355-G357 VanDerWaalsContact O-N 3.15Å; N355-G357 VanDerWaalsContact OD1-CA 3.22Å; N355-G357 WeakPolarHBondContact OD1-CA 3.26Å; N355-G357 PolarHBondContact OD1-N 3.42Å; N355-G358 PolarHBondContact N-O 2.79Å; N355-G358 PolarHBondContact O-N 3.43Å; N355-G358 VanDerWaalsContact O-N 3.09Å; N355-G358 PolarHBondContact OD1-N 3.3Å; N355-G358 VanDerWaalsContact OD1-N 3.12Å
356T86.5Confident92.6Very high98 Ų9841.6 Ų41.660%0.60122%0.217SC*.THydrogen-bonded Turntrans-62.4-19.117854.20000114.1M257M257-T356 PolarHBondContact SD-OG1 3.37Å; M257-T356 VanDerWaalsContact SD-OG1 3.37Å
357G84.7Confident92.8Very high26 Ų2640.9 Ų40.927%0.26821%0.21SC..THydrogen-bonded Turntrans-88.1-11.3176.100000114.6M257 N355M257-G357 VanDerWaalsContact O-CA 3.28Å; M257-G357 WeakPolarHBondContact O-CA 3.38Å; N355-G357 PolarHBondContact O-N 2.81Å; N355-G357 VanDerWaalsContact O-N 3.15Å; N355-G357 VanDerWaalsContact OD1-CA 3.22Å; N355-G357 WeakPolarHBondContact OD1-CA 3.26Å; N355-G357 PolarHBondContact OD1-N 3.42Å
358G88.2Confident92.5Very high27 Ų2741.6 Ų41.628%0.27821%0.213SC..EExtended strand (participates in β ladder)trans148.5178.617300000114.8P260 Q354 N355P260-G358 WeakPolarHBondContact CD-O 3.45Å; Q354-G358 WeakPolarHBondContact CA-O 3.31Å; N355-G358 PolarHBondContact N-O 2.79Å; N355-G358 PolarHBondContact O-N 3.43Å; N355-G358 VanDerWaalsContact O-N 3.09Å; N355-G358 PolarHBondContact OD1-N 3.3Å; N355-G358 VanDerWaalsContact OD1-N 3.12Å
359K92.3Very high91.8Very high107 Ų10743.2 Ų43.247%0.46522%0.221SC..EExtended strand (participates in β ladder)trans-112.3137.2179.1-175.6-173.6175.1-149.60109.7V352 T353 Q354 E361V352-K359 HydrophobicContact CG1-CD 4.42Å; V352-K359 HydrophobicContact CG1-CG 4.32Å; T353-K359 CarbonylContact O-C 3.58Å; T353-K359 WeakPolarHBondContact O-CA 3.42Å; Q354-K359 HydrophobicContact CB-CB 4.33Å; Q354-K359 HydrophobicContact CB-CG 4.25Å; Q354-K359 HydrophobicContact CG-CB 3.98Å; Q354-K359 HydrophobicContact CG-CG 4.32Å; K359-E361 WeakPolarHBondContact CE-OE2 3.02Å; K359-E361 IonicContact NZ-OE2 3.73Å; K359-E361 PolarHBondContact NZ-OE2 3.27Å
360Q92.9Very high90.6Very high89 Ų8947.9 Ų47.942%0.41625%0.246SC..EExtended strand (participates in β ladder)trans-127.2144.7171.3-171.863.437.300109.2I262 T353I262-Q360 HydrophobicContact CD1-CB 4.44Å; I262-Q360 HydrophobicContact CD1-CG 4.06Å; I262-Q360 HydrophobicContact CG1-CB 4.49Å; I262-Q360 HydrophobicContact CG1-CG 4.11Å; T353-Q360 HydrophobicContact CG2-CB 3.9Å; T353-Q360 PolarHBondContact N-O 3.24Å; T353-Q360 PolarHBondContact O-N 2.5Å; T353-Q360 VanDerWaalsContact O-O 3.08Å
361E95.5Very high89.1Confident71 Ų7148.4 Ų48.433%0.33225%0.252SS..EExtended strand (participates in β ladder)trans-138.4151.8172.656.8-174.8-118.900110.9K350 C351 V352 K359K350-E361 HydrophobicContact CD-CB 4.05Å; K350-E361 HydrophobicContact CD-CG 4.41Å; K350-E361 HydrophobicContact CG-CB 4.17Å; K350-E361 IonicContact NZ-OE1 3.54Å; K350-E361 PolarHBondContact NZ-OE1 2.98Å; C351-E361 CarbonylContact O-C 3.57Å; C351-E361 VanDerWaalsContact O-CA 3.28Å; C351-E361 WeakPolarHBondContact O-CA 3.47Å; V352-E361 HydrophobicContact CG2-CB 4.07Å; K359-E361 WeakPolarHBondContact CE-OE2 3.02Å; K359-E361 IonicContact NZ-OE2 3.73Å; K359-E361 PolarHBondContact NZ-OE2 3.27Å
362V96.3Very high87.8Confident11 Ų1152.4 Ų52.47%0.06728%0.277CS..EExtended strand (participates in β ladder)trans-136.7133.4178.7160.80000108.3I262 P265 D267 K350 C351 T364I262-V362 HydrophobicContact CB-CG2 3.96Å; I262-V362 HydrophobicContact CD1-CB 3.95Å; I262-V362 HydrophobicContact CD1-CG2 3.78Å; I262-V362 HydrophobicContact CG1-CG2 4.44Å; I262-V362 HydrophobicContact CG2-CB 4.3Å; I262-V362 HydrophobicContact CG2-CG2 3.91Å; P265-V362 HydrophobicContact CG-CG1 3.88Å; P265-V362 WeakPolarHBondContact O-CG1 3.32Å; D267-V362 HydrophobicContact CB-CG1 4.28Å; D267-V362 HydrophobicContact CB-CG2 4.44Å; K350-V362 CarbonylContact C-O 3.55Å; K350-V362 VanDerWaalsContact CA-O 3.23Å; K350-V362 WeakPolarHBondContact CA-O 3.29Å; K350-V362 WeakPolarHBondContact CG-O 3.42Å; C351-V362 PolarHBondContact N-O 2.92Å; C351-V362 PolarHBondContact O-N 3.3Å; V362-T364 HydrophobicContact CG1-CG2 4.27Å
363V95.4Very high86.4Confident37 Ų3758.5 Ų58.522%0.22430%0.302CS..EExtended strand (participates in β ladder)trans-105136.4-178.4-171.80000110.5D267 G268 E348 K350D267-V363 PolarHBondContact OD1-N 3.26Å; G268-V363 PolarHBondContact N-O 3.44Å; E348-V363 HydrophobicContact CG-CG1 3.38Å; K350-V363 HydrophobicContact CD-CG2 4.48Å; K350-V363 HydrophobicContact CG-CG2 4.25Å
364T94.9Very high85.1Confident0 Ų062.3 Ų62.30%033%0.326CS..EExtended strand (participates in β ladder)trans-135.4155.5176.8620000110.3P265 T269 F271 M349 V362P265-T364 HydrophobicContact CB-CG2 3.54Å; P265-T364 HydrophobicContact CG-CG2 3.45Å; P265-T364 VanDerWaalsContact CG-CG2 3.45Å; T269-T364 VanDerWaalsContact O-CA 3.29Å; T269-T364 WeakPolarHBondContact O-CA 3.36Å; T269-T364 WeakPolarHBondContact O-CB 3.37Å; F271-T364 HydrophobicContact CE2-CG2 3.94Å; M349-T364 PolarHBondContact N-O 3Å; M349-T364 PolarHBondContact O-N 3.39Å; M349-T364 PolarHBondContact O-OG1 3.38Å; V362-T364 HydrophobicContact CG1-CG2 4.27Å
365M92.7Very high83.9Confident70 Ų7066.5 Ų66.535%0.34534%0.34SS..EExtended strand (participates in β ladder)trans-123143.5-176.3-63.5-65.3-99.100110.7T269 I270 F271 K346 E348T269-M365 PolarHBondContact O-N 3.15Å; I270-M365 CarbonylContact C-O 3.47Å; I270-M365 WeakPolarHBondContact CA-O 3.29Å; F271-M365 PolarHBondContact N-O 3.01Å; K346-M365 HydrophobicContact CB-CE 4.38Å; E348-M365 HydrophobicContact CB-SD 3.97Å; E348-M365 HydrophobicContact CG-SD 4.14Å
366L91.8Very high83.1Confident3 Ų371.3 Ų71.32%0.01637%0.365CS..EExtended strand (participates in β ladder)trans-92.4136.2171.7-177.658.9000110.8F271 L279 I340 D344 K346 T347 M349F271-L366 WeakPolarHBondContact O-CD1 3.44Å; L279-L366 HydrophobicContact CD2-CD1 3.51Å; I340-L366 HydrophobicContact CD1-CD2 3.73Å; I340-L366 HydrophobicContact CG1-CD2 4.4Å; I340-L366 HydrophobicContact CG2-CD2 4.07Å; D344-L366 HydrophobicContact CB-CD2 3.47Å; D344-L366 VanDerWaalsContact CB-CD2 3.47Å; D344-L366 WeakPolarHBondContact O-CD2 3.4Å; K346-L366 WeakPolarHBondContact CA-O 3.26Å; K346-L366 PolarHBondContact N-O 2.71Å; T347-L366 PolarHBondContact O-N 2.99Å; T347-L366 VanDerWaalsContact O-N 3.17Å; M349-L366 HydrophobicContact CE-CB 3.69Å
367R90Very high82.7Confident134 Ų13470 Ų7051%0.50636%0.356SS..EExtended strand (participates in β ladder)trans-128134173.1-176.8177.1-174.8-161.87.5109.7I270 F271 E272 S273I270-R367 HydrophobicContact CG2-CB 3.58Å; F271-R367 PolarHBondContact O-N 3.1Å; E272-R367 VanDerWaalsContact CA-O 3.31Å; E272-R367 WeakPolarHBondContact CA-O 3.4Å; E272-R367 HydrophobicContact CG-CB 4.17Å; E272-R367 HydrophobicContact CG-CG 4.43Å; E272-R367 WeakPolarHBondContact OE1-CD 3.43Å; E272-R367 IonicContact OE1-CZ 3.49Å; E272-R367 IonicContact OE1-NE 3.48Å; E272-R367 IonicContact OE1-NH1 2.84Å; E272-R367 PolarHBondContact OE1-NH1 2.65Å; S273-R367 PolarHBondContact N-O 3.45Å
368L86.2Confident82.7Confident20 Ų2071.8 Ų71.811%0.10536%0.362CS..EExtended strand (participates in β ladder)trans-78.6134.7173.2-88.173.8000110.1S273 H275 I340 E345 D370S273-L368 WeakPolarHBondContact O-CA 3.16Å; H275-L368 HydrophobicContact CB-CD2 4.36Å; I340-L368 HydrophobicContact CG2-CD1 3.68Å; I340-L368 HydrophobicContact CG2-CD2 4.48Å; I340-L368 HydrophobicContact CG2-CG 3.95Å; E345-L368 HydrophobicContact CB-CD1 3.96Å; E345-L368 HydrophobicContact CG-CD1 4.25Å; L368-D370 PolarHBondContact O-N 3.37Å
369E80.6Confident82.5Confident99 Ų9972.2 Ų72.246%0.46337%0.366SS..  trans-70.4126.7174.8-169.1-179.8-168.800110.5S273 S274 T371S273-E369 PolarHBondContact O-N 3.38Å; S274-E369 PolarHBondContact OG-OE2 2.96Å; E369-T371 PolarHBondContact O-N 3.32Å
370D69.1Low82.4Confident98 Ų9872 Ų7252%0.52437%0.374SS..  trans-79.688.2178.9-173.4-14.7000110.5L368 T372 F373L368-D370 PolarHBondContact O-N 3.37Å; D370-T372 PolarHBondContact O-N 3.1Å; D370-T372 WeakPolarHBondContact OD1-CA 3.43Å; D370-T372 VanDerWaalsContact OD1-CB 3.29Å; D370-T372 WeakPolarHBondContact OD1-CB 3.21Å; D370-T372 PolarHBondContact OD1-N 2.94Å; D370-T372 PolarHBondContact OD1-OG1 3.3Å; D370-F373 PolarHBondContact OD1-N 2.94Å
371T65.4Low82.3Confident48 Ų4871.6 Ų71.629%0.29438%0.377SS..Hα-helixtrans-68.4-19.6176.261.30000113.2E369 W375E369-T371 PolarHBondContact O-N 3.32Å; T371-W375 VanDerWaalsContact O-CD1 3.29Å; T371-W375 PolarHBondContact O-N 3.39Å
372T67.3Low82Confident83 Ų8372.1 Ų72.151%0.50939%0.386SS..Hα-helixtrans-67.6-38.2-1778.40000111.6D370 L376D370-T372 PolarHBondContact O-N 3.1Å; D370-T372 WeakPolarHBondContact OD1-CA 3.43Å; D370-T372 VanDerWaalsContact OD1-CB 3.29Å; D370-T372 WeakPolarHBondContact OD1-CB 3.21Å; D370-T372 PolarHBondContact OD1-N 2.94Å; D370-T372 PolarHBondContact OD1-OG1 3.3Å; T372-L376 WeakPolarHBondContact O-CB 3.33Å; T372-L376 VanDerWaalsContact O-CG 3.24Å; T372-L376 WeakPolarHBondContact O-CG 3.43Å; T372-L376 PolarHBondContact O-N 3.42Å
373F66.3Low81.8Confident139 Ų13974 Ų7461%0.6140%0.403SS*.Hα-helixtrans-62.5-45.1178.5-174.9-102.4000112.7D370 L376 V377D370-F373 PolarHBondContact OD1-N 2.94Å; F373-L376 PolarHBondContact O-N 2.92Å; F373-V377 HydrophobicContact CE1-CG2 4.2Å; F373-V377 HydrophobicContact CZ-CG2 4.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.35Å; F373-V377 PolarHBondContact O-N 3.42Å; F373-V377 VanDerWaalsContact O-N 3.09Å
374T67.7Low81.6Confident82 Ų8275.5 Ų75.550%0.50341%0.414SS..Hα-helixtrans-64.1-44.8-178.4-49.80000111.9V377 V378T374-V377 PolarHBondContact O-N 2.99Å; T374-V378 WeakPolarHBondContact O-CG2 3.4Å; T374-V378 PolarHBondContact O-N 2.92Å
375W68.7Low81.5Confident140 Ų14079.1 Ų79.153%0.5344%0.439SS..Hα-helixtrans-70.7-31.3178.4-77.9106.7000113.4W21 T371 V378 G379W21-W375 HydrophobicContact CE3-CZ2 4.2Å; W21-W375 HydrophobicContact CH2-CH2 4.43Å; W21-W375 HydrophobicContact CH2-CZ2 4.1Å; W21-W375 AromaticContact CZ3-CZ2 3.83Å; W21-W375 HydrophobicContact CZ3-CZ2 3.83Å; T371-W375 VanDerWaalsContact O-CD1 3.29Å; T371-W375 PolarHBondContact O-N 3.39Å; W375-V378 HydrophobicContact CE3-CB 4.43Å; W375-V378 HydrophobicContact CE3-CG1 4.32Å; W375-V378 HydrophobicContact CZ3-CG1 4.4Å; W375-V378 PolarHBondContact O-N 3.49Å; W375-G379 PolarHBondContact O-N 2.92Å
376L73.3Confident81.5Confident116 Ų11682.7 Ų82.761%0.60745%0.453SS*.Hα-helixtrans-61.9-45.3170.3-78.1169.8000111.2T372 F373 G379 V380T372-L376 WeakPolarHBondContact O-CB 3.33Å; T372-L376 VanDerWaalsContact O-CG 3.24Å; T372-L376 WeakPolarHBondContact O-CG 3.43Å; T372-L376 PolarHBondContact O-N 3.42Å; F373-L376 PolarHBondContact O-N 2.92Å; L376-G379 PolarHBondContact O-N 2.85Å; L376-V380 VanDerWaalsContact O-CG2 3.31Å; L376-V380 WeakPolarHBondContact O-CG2 3.47Å; L376-V380 PolarHBondContact O-N 2.81Å
377V77.9Confident81.5Confident70 Ų7087.5 Ų87.542%0.42448%0.478SS..Hα-helixtrans-62-46.3176.1174.60000110.8F373 T374 G379 V380 V381F373-V377 HydrophobicContact CE1-CG2 4.2Å; F373-V377 HydrophobicContact CZ-CG2 4.3Å; F373-V377 WeakPolarHBondContact O-CG2 3.35Å; F373-V377 PolarHBondContact O-N 3.42Å; F373-V377 VanDerWaalsContact O-N 3.09Å; T374-V377 PolarHBondContact O-N 2.99Å; V377-G379 VanDerWaalsContact C-N 3.33Å; V377-G379 PolarHBondContact O-N 2.89Å; V377-V380 PolarHBondContact O-N 3.4Å; V377-V381 HydrophobicContact CG1-CG2 4.34Å; V377-V381 VanDerWaalsContact O-CG2 3.28Å; V377-V381 WeakPolarHBondContact O-CG2 3.39Å; V377-V381 PolarHBondContact O-N 3.34Å
378V83.4Confident81.6Confident63 Ų6386.9 Ų86.938%0.38248%0.482SS..Hα-helixtrans-60.2-42.7176.2173.40000111.3T374 W375 V381 T382T374-V378 WeakPolarHBondContact O-CG2 3.4Å; T374-V378 PolarHBondContact O-N 2.92Å; W375-V378 HydrophobicContact CE3-CB 4.43Å; W375-V378 HydrophobicContact CE3-CG1 4.32Å; W375-V378 HydrophobicContact CZ3-CG1 4.4Å; W375-V378 PolarHBondContact O-N 3.49Å; V378-V381 PolarHBondContact O-N 2.96Å; V378-T382 HydrophobicContact CG1-CG2 4.25Å; V378-T382 WeakPolarHBondContact O-CB 3.32Å; V378-T382 VanDerWaalsContact O-CG2 3.26Å; V378-T382 WeakPolarHBondContact O-CG2 3.44Å; V378-T382 PolarHBondContact O-N 3.38Å; V378-T382 PolarHBondContact O-OG1 3.36Å
379G85.1Confident81.9Confident36 Ų3690.8 Ų90.837%0.37151%0.506SS..Hα-helixtrans-61.8-43.1176.500000112.8W375 L376 V377 T382 A383W375-G379 PolarHBondContact O-N 2.92Å; L376-G379 PolarHBondContact O-N 2.85Å; V377-G379 VanDerWaalsContact C-N 3.33Å; V377-G379 PolarHBondContact O-N 2.89Å; G379-T382 WeakPolarHBondContact CA-OG1 3.33Å; G379-T382 PolarHBondContact O-OG1 2.98Å; G379-A383 VanDerWaalsContact O-CB 3.26Å; G379-A383 WeakPolarHBondContact O-CB 3.22Å; G379-A383 PolarHBondContact O-N 2.93Å
380V90.1Very high82.4Confident102 Ų10288.5 Ų88.562%0.61850%0.499SS*.Hα-helixtrans-66.1-44.8177.2171.20000111.2L376 V377 S384L376-V380 VanDerWaalsContact O-CG2 3.31Å; L376-V380 WeakPolarHBondContact O-CG2 3.47Å; L376-V380 PolarHBondContact O-N 2.81Å; V377-V380 PolarHBondContact O-N 3.4Å; V380-S384 VanDerWaalsContact O-CB 3.32Å; V380-S384 WeakPolarHBondContact O-CB 3.48Å; V380-S384 PolarHBondContact O-N 3.5Å
381V91.8Very high83.4Confident82 Ų8287.4 Ų87.450%0.49750%0.498SS..Hα-helixtrans-64.4-45.8179.3172.90000110.9V377 V378 S384 C385V377-V381 HydrophobicContact CG1-CG2 4.34Å; V377-V381 VanDerWaalsContact O-CG2 3.28Å; V377-V381 WeakPolarHBondContact O-CG2 3.39Å; V377-V381 PolarHBondContact O-N 3.34Å; V378-V381 PolarHBondContact O-N 2.96Å; V381-S384 PolarHBondContact O-N 3.22Å; V381-C385 PolarHBondContact O-N 3.41Å; V381-C385 PolarHBondContact O-SG 2.93Å; V381-C385 VanDerWaalsContact O-SG 3.37Å
382T88.8Confident84.6Confident82 Ų8289.1 Ų89.150%0.50351%0.509SS..Hα-helixtrans-65.2-42179.251.40000112.2V378 G379 C385 F386V378-T382 HydrophobicContact CG1-CG2 4.25Å; V378-T382 WeakPolarHBondContact O-CB 3.32Å; V378-T382 VanDerWaalsContact O-CG2 3.26Å; V378-T382 WeakPolarHBondContact O-CG2 3.44Å; V378-T382 PolarHBondContact O-N 3.38Å; V378-T382 PolarHBondContact O-OG1 3.36Å; G379-T382 WeakPolarHBondContact CA-OG1 3.33Å; G379-T382 PolarHBondContact O-OG1 2.98Å; T382-C385 PolarHBondContact O-N 2.98Å; T382-F386 WeakPolarHBondContact O-CB 3.38Å; T382-F386 PolarHBondContact O-N 3.35Å
383A92.4Very high85.6Confident51 Ų5191.2 Ų91.242%0.42151%0.511SS..Hα-helixtrans-62.8-41.8174.300000112.1G379 F386 L387G379-A383 VanDerWaalsContact O-CB 3.26Å; G379-A383 WeakPolarHBondContact O-CB 3.22Å; G379-A383 PolarHBondContact O-N 2.93Å; A383-F386 PolarHBondContact O-N 3.43Å; A383-L387 WeakPolarHBondContact O-CB 3.42Å; A383-L387 WeakPolarHBondContact O-CG 3.19Å; A383-L387 PolarHBondContact O-N 3.47Å
384S90.9Very high86.6Confident68 Ų6888.3 Ų88.348%0.47650%0.501SS..Hα-helixtrans-61.7-47.2176-176.80000111.9V380 V381 F386 L387 M388V380-S384 VanDerWaalsContact O-CB 3.32Å; V380-S384 WeakPolarHBondContact O-CB 3.48Å; V380-S384 PolarHBondContact O-N 3.5Å; V381-S384 PolarHBondContact O-N 3.22Å; S384-F386 PolarHBondContact O-N 2.93Å; S384-L387 PolarHBondContact O-N 2.88Å; S384-M388 WeakPolarHBondContact O-CG 3.35Å; S384-M388 PolarHBondContact O-N 2.96Å
385C91.8Very high87.5Confident76 Ų7691.6 Ų91.651%0.51451%0.506SS..Hα-helixtrans-60.3-44.4175.6-71.20000112.1V381 T382 M388 V389V381-C385 PolarHBondContact O-N 3.41Å; V381-C385 PolarHBondContact O-SG 2.93Å; V381-C385 VanDerWaalsContact O-SG 3.37Å; T382-C385 PolarHBondContact O-N 2.98Å; C385-M388 PolarHBondContact O-N 3.22Å; C385-V389 WeakPolarHBondContact O-CG2 3.47Å; C385-V389 PolarHBondContact O-N 2.84Å; C385-V389 VanDerWaalsContact O-N 3.1Å
386F92.7Very high88.2Confident144 Ų14489.4 Ų89.463%0.63251%0.508SS*.Hα-helixtrans-62.2-45.9177.9-177.9-97.9000111.8T382 A383 S384 M388 V389 V390T382-F386 WeakPolarHBondContact O-CB 3.38Å; T382-F386 PolarHBondContact O-N 3.35Å; A383-F386 PolarHBondContact O-N 3.43Å; S384-F386 PolarHBondContact O-N 2.93Å; F386-M388 VanDerWaalsContact C-N 3.31Å; F386-M388 PolarHBondContact O-N 2.93Å; F386-V389 PolarHBondContact O-N 3.35Å; F386-V390 HydrophobicContact CD1-CG2 4.08Å; F386-V390 HydrophobicContact CE1-CG2 3.68Å; F386-V390 HydrophobicContact CE2-CG2 4.4Å; F386-V390 HydrophobicContact CZ-CG2 3.86Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.86Å
387L92.8Very high88.7Confident105 Ų10589 Ų8955%0.5551%0.506SS..Hα-helixtrans-60.8-40176.8-75.3172.2000112A383 S384 V390 C391A383-L387 WeakPolarHBondContact O-CB 3.42Å; A383-L387 WeakPolarHBondContact O-CG 3.19Å; A383-L387 PolarHBondContact O-N 3.47Å; S384-L387 PolarHBondContact O-N 2.88Å; L387-V390 PolarHBondContact O-N 3.28Å; L387-C391 WeakPolarHBondContact O-CB 3.44Å; L387-C391 PolarHBondContact O-N 3.36Å; L387-C391 PolarHBondContact O-SG 3.36Å
388M91.8Very high88.7Confident121 Ų12193.3 Ų93.360%0.59652%0.519SS*.Hα-helixtrans-60.9-44.8175.3-77-63.2-66.300112.2S384 C385 F386 C391 V392S384-M388 WeakPolarHBondContact O-CG 3.35Å; S384-M388 PolarHBondContact O-N 2.96Å; C385-M388 PolarHBondContact O-N 3.22Å; F386-M388 VanDerWaalsContact C-N 3.31Å; F386-M388 PolarHBondContact O-N 2.93Å; M388-C391 PolarHBondContact O-N 3.28Å; M388-V392 WeakPolarHBondContact O-CG2 3.33Å; M388-V392 PolarHBondContact O-N 3.48Å
389V92.7Very high88.3Confident101 Ų10196.6 Ų96.661%0.61253%0.528SS*.Hα-helixtrans-62.7-45177.2174.50000111C385 F386 C391 V392 F393C385-V389 WeakPolarHBondContact O-CG2 3.47Å; C385-V389 PolarHBondContact O-N 2.84Å; C385-V389 VanDerWaalsContact O-N 3.1Å; F386-V389 PolarHBondContact O-N 3.35Å; V389-C391 PolarHBondContact O-N 2.84Å; V389-V392 PolarHBondContact O-N 3.31Å; V389-F393 WeakPolarHBondContact O-CB 3.28Å; V389-F393 PolarHBondContact O-N 3.5Å
390V91.5Very high87.3Confident51 Ų51100.1 Ų100.131%0.30954%0.544SS..Hα-helixtrans-61.8-44.3176.8173.20000111F386 L387 V392 F393 L394F386-V390 HydrophobicContact CD1-CG2 4.08Å; F386-V390 HydrophobicContact CE1-CG2 3.68Å; F386-V390 HydrophobicContact CE2-CG2 4.4Å; F386-V390 HydrophobicContact CZ-CG2 3.86Å; F386-V390 WeakPolarHBondContact O-CG2 3.29Å; F386-V390 PolarHBondContact O-N 2.86Å; L387-V390 PolarHBondContact O-N 3.28Å; V390-V392 PolarHBondContact O-N 3.13Å; V390-F393 PolarHBondContact O-N 3.01Å; V390-L394 HydrophobicContact CG1-CD1 3.81Å; V390-L394 HydrophobicContact CG1-CG 4.22Å; V390-L394 WeakPolarHBondContact O-CB 3.42Å; V390-L394 VanDerWaalsContact O-CG 3.25Å; V390-L394 WeakPolarHBondContact O-CG 3.25Å; V390-L394 PolarHBondContact O-N 3.02Å
391C89Confident86.1Confident75 Ų75104.8 Ų104.851%0.50756%0.556SS.*Hα-helixtrans-61-43.6177.1-75.70000112.3L387 M388 V389 L394 Y395L387-C391 WeakPolarHBondContact O-CB 3.44Å; L387-C391 PolarHBondContact O-N 3.36Å; L387-C391 PolarHBondContact O-SG 3.36Å; M388-C391 PolarHBondContact O-N 3.28Å; V389-C391 PolarHBondContact O-N 2.84Å; C391-L394 PolarHBondContact O-N 3.29Å; C391-Y395 VanDerWaalsContact O-CB 3.28Å; C391-Y395 WeakPolarHBondContact O-CB 3.45Å; C391-Y395 PolarHBondContact O-N 2.79Å
392V90.3Very high84.5Confident84 Ų84105.9 Ų105.951%0.50957%0.568SS.*Hα-helixtrans-63.9-44175.7171.30000110.8M388 V389 V390 Y395 V396M388-V392 WeakPolarHBondContact O-CG2 3.33Å; M388-V392 PolarHBondContact O-N 3.48Å; V389-V392 PolarHBondContact O-N 3.31Å; V390-V392 PolarHBondContact O-N 3.13Å; V392-Y395 PolarHBondContact O-N 3.16Å; V392-V396 WeakPolarHBondContact O-CG2 3.48Å; V392-V396 PolarHBondContact O-N 3.43Å
393F89.5Confident82.9Confident127 Ų127111.2 Ų111.256%0.55758%0.584SS**Hα-helixtrans-61.3-47.2178-176.4-102.6000111.8V389 V390 V396 L397V389-F393 WeakPolarHBondContact O-CB 3.28Å; V389-F393 PolarHBondContact O-N 3.5Å; V390-F393 PolarHBondContact O-N 3.01Å; F393-V396 PolarHBondContact O-N 2.86Å; F393-L397 HydrophobicContact CD1-CD1 3.77Å; F393-L397 HydrophobicContact CD1-CG 4.41Å; F393-L397 HydrophobicContact CE1-CD1 3.28Å; F393-L397 HydrophobicContact CE1-CG 4.13Å; F393-L397 HydrophobicContact CZ-CD1 3.75Å; F393-L397 HydrophobicContact CZ-CG 4.27Å; F393-L397 WeakPolarHBondContact O-CG 3.26Å; F393-L397 PolarHBondContact O-N 2.98Å
394L87.4Confident81.1Confident78 Ų78118.5 Ų118.541%0.40861%0.606SS.*Hα-helixtrans-63.3-41.2175.1-66.6173.7000111.5V390 C391 V396 L397 F398V390-L394 HydrophobicContact CG1-CD1 3.81Å; V390-L394 HydrophobicContact CG1-CG 4.22Å; V390-L394 WeakPolarHBondContact O-CB 3.42Å; V390-L394 VanDerWaalsContact O-CG 3.25Å; V390-L394 WeakPolarHBondContact O-CG 3.25Å; V390-L394 PolarHBondContact O-N 3.02Å; C391-L394 PolarHBondContact O-N 3.29Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.84Å; L394-L397 PolarHBondContact O-N 3.29Å; L394-F398 HydrophobicContact CB-CD2 4.29Å; L394-F398 HydrophobicContact CD2-CD2 4.38Å; L394-F398 HydrophobicContact CD2-CE2 3.91Å; L394-F398 WeakPolarHBondContact O-CB 3.26Å; L394-F398 VanDerWaalsContact O-CD2 3.24Å; L394-F398 WeakPolarHBondContact O-CD2 3.29Å; L394-F398 PolarHBondContact O-N 3.41Å
395Y85.7Confident79Confident151 Ų151124 Ų12459%0.59262%0.621SS**Hα-helixtrans-59.9-41.3175.5174.6-96.4000111.9C391 V392 K399C391-Y395 VanDerWaalsContact O-CB 3.28Å; C391-Y395 WeakPolarHBondContact O-CB 3.45Å; C391-Y395 PolarHBondContact O-N 2.79Å; V392-Y395 PolarHBondContact O-N 3.16Å; Y395-K399 VanDerWaalsContact O-CA 3.29Å; Y395-K399 WeakPolarHBondContact O-CA 3.43Å; Y395-K399 VanDerWaalsContact O-CB 3.26Å; Y395-K399 WeakPolarHBondContact O-CB 3.24Å; Y395-K399 PolarHBondContact O-N 3.28Å
396V83.9Confident77.3Confident95 Ų95125.8 Ų125.858%0.57662%0.624SS**Hα-helixtrans-67.3-43.1177171.20000111.3V392 F393 L394 K399V392-V396 WeakPolarHBondContact O-CG2 3.48Å; V392-V396 PolarHBondContact O-N 3.43Å; F393-V396 PolarHBondContact O-N 2.86Å; L394-V396 VanDerWaalsContact C-N 3.31Å; L394-V396 PolarHBondContact O-N 2.84Å; V396-K399 WeakPolarHBondContact O-CB 3.12Å
397L83Confident75.3Confident108 Ų108125.9 Ų125.957%0.56563%0.631SS**Hα-helixtrans-66.4-42.8178.6-73.5-178.7000112.9F393 L394F393-L397 HydrophobicContact CD1-CD1 3.77Å; F393-L397 HydrophobicContact CD1-CG 4.41Å; F393-L397 HydrophobicContact CE1-CD1 3.28Å; F393-L397 HydrophobicContact CE1-CG 4.13Å; F393-L397 HydrophobicContact CZ-CD1 3.75Å; F393-L397 HydrophobicContact CZ-CG 4.27Å; F393-L397 WeakPolarHBondContact O-CG 3.26Å; F393-L397 PolarHBondContact O-N 2.98Å; L394-L397 PolarHBondContact O-N 3.29Å
398F79.1Confident73.4Confident160 Ų160129 Ų12970%0.70264%0.636SS**SBendtrans-93.15.4-178.7-68-70000113.2L394 P400L394-F398 HydrophobicContact CB-CD2 4.29Å; L394-F398 HydrophobicContact CD2-CD2 4.38Å; L394-F398 HydrophobicContact CD2-CE2 3.91Å; L394-F398 WeakPolarHBondContact O-CB 3.26Å; L394-F398 VanDerWaalsContact O-CD2 3.24Å; L394-F398 WeakPolarHBondContact O-CD2 3.29Å; L394-F398 PolarHBondContact O-N 3.41Å; F398-P400 WeakPolarHBondContact O-CD 3.38Å
399K74.3Confident71.5Confident132 Ų132127.5 Ų127.557%0.57463%0.63SS**  trans-53.8110.8177.9-167.6176.2-177.9178.20107.6Y395 V396 K401Y395-K399 VanDerWaalsContact O-CA 3.29Å; Y395-K399 WeakPolarHBondContact O-CA 3.43Å; Y395-K399 VanDerWaalsContact O-CB 3.26Å; Y395-K399 WeakPolarHBondContact O-CB 3.24Å; Y395-K399 PolarHBondContact O-N 3.28Å; V396-K399 WeakPolarHBondContact O-CB 3.12Å; K399-K401 PolarHBondContact O-N 2.82Å
400P65.1Low69.5Low110 Ų110129.5 Ų129.571%0.71464%0.636SS**  trans-62.1121.5179.722.6-29000106.5F398 S402F398-P400 WeakPolarHBondContact O-CD 3.38Å; P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 PolarHBondContact O-N 3.04Å
401K63.8Low67.6Low200 Ų200130.5 Ų130.587%0.8765%0.649SS**  trans-54.1106.8164.9-73.9-177.4180178.60105K399 K403K399-K401 PolarHBondContact O-N 2.82Å; K401-K403 PolarHBondContact O-N 2.85Å
402S57.6Low65.6Low105 Ų105137.4 Ų137.473%0.73467%0.665SS**  trans-45.9111.3172.3165.80000106.5P400 K404P400-S402 VanDerWaalsContact C-N 3.32Å; P400-S402 PolarHBondContact O-N 3.04Å; S402-K404 PolarHBondContact O-N 2.85Å
403K55.6Low63.7Low194 Ų194141.6 Ų141.684%0.84368%0.679SS**  trans-62.598.5168.2-81.7-176.7176.7178.90104.3K401 K405K401-K403 PolarHBondContact O-N 2.85Å; K403-K405 PolarHBondContact O-N 2.77Å
404K54Low61.9Low204 Ų204140.5 Ų140.589%0.88769%0.687SS**  trans-53.795.2157.3-89.6-171.6174.5-175.30105.7S402 M406S402-K404 PolarHBondContact O-N 2.85Å; K404-M406 VanDerWaalsContact C-N 3.34Å; K404-M406 PolarHBondContact O-N 3.28Å
405K47.7Very low60.3Low184 Ų184141 Ų14180%0.870%0.697SS**  trans-74.692.5-178.3-157.9-176.1-174.6-172.10106.4K403 D407K403-K405 PolarHBondContact O-N 2.77Å; K405-D407 PolarHBondContact O-N 3Å
406M55.5Low58.6Low113 Ų113140.6 Ų140.656%0.55771%0.71SS**  trans4958.8138.8-154.5145.77200118.1K404 Y408 I409K404-M406 VanDerWaalsContact C-N 3.34Å; K404-M406 PolarHBondContact O-N 3.28Å; M406-Y408 VanDerWaalsContact C-N 3.28Å; M406-Y408 HydrophobicContact CG-CD1 3.97Å; M406-Y408 HydrophobicContact CG-CE1 3.74Å; M406-Y408 HydrophobicContact SD-CE1 4.02Å; M406-I409 HydrophobicContact CE-CD1 4.16Å; M406-I409 HydrophobicContact CG-CD1 3.74Å; M406-I409 HydrophobicContact CG-CG1 3.83Å; M406-I409 HydrophobicContact SD-CD1 3.52Å; M406-I409 VanDerWaalsContact SD-CD1 3.52Å; M406-I409 HydrophobicContact SD-CG1 4.26Å
407D50.1Low56.7Low146 Ų146145.4 Ų145.478%0.78172%0.724SS**  trans-86.85.9162.8-68.4-35000113K405K405-D407 PolarHBondContact O-N 3Å
408Y53.6Low54.8Low171 Ų171145.1 Ų145.167%0.67173%0.731SS**SBendtrans-85.8-14.6-178.485-93.6000114M406M406-Y408 VanDerWaalsContact C-N 3.28Å; M406-Y408 HydrophobicContact CG-CD1 3.97Å; M406-Y408 HydrophobicContact CG-CE1 3.74Å; M406-Y408 HydrophobicContact SD-CE1 4.02Å
409I51.3Low53.1Low89 Ų89147.8 Ų147.846%0.45676%0.76SS.*SBendtrans-84-24.1-175.3-64.4-171.8000112.4M406M406-I409 HydrophobicContact CE-CD1 4.16Å; M406-I409 HydrophobicContact CG-CD1 3.74Å; M406-I409 HydrophobicContact CG-CG1 3.83Å; M406-I409 HydrophobicContact SD-CD1 3.52Å; M406-I409 VanDerWaalsContact SD-CD1 3.52Å; M406-I409 HydrophobicContact SD-CG1 4.26Å
410L52.5Low52Low143 Ų143148.6 Ų148.675%0.74977%0.77SS**THydrogen-bonded Turntrans-81.9-12.9176.4-75.1168.2000114
411A50.4Low51.3Low71 Ų71150.6 Ų150.659%0.58777%0.772SS**THydrogen-bonded Turntrans-86.4-7.6179.100000114.2
412R47.1Very low50.6Low221 Ų221147.9 Ų147.983%0.83477%0.767SS**SBendtrans-96.5-5-177.4-162.9168.5179.3156.70.9114.3
413Q51.1Low50.2Low171 Ų171150.4 Ų150.480%0.79977%0.769SS**SBendtrans-94.4-2.9-176.5-92.4-175.6-28.500115.4
414S51.5Low49.9Very low105 Ų105147.7 Ų147.773%0.73476%0.764SS**SBendtrans-11012.3-174.356.50000115.9
415S54.1Low49.6Very low88 Ų88143.9 Ų143.962%0.61576%0.756SS**  trans-135.771.6-178.858.60000112.4
416T48.8Very low49.8Very low142 Ų142141.1 Ų141.187%0.87175%0.753SS**  trans-122.596.3154.7-33.90000107
417F45.6Very low49.3Very low196 Ų196143.2 Ų143.286%0.8677%0.768SS**  trans-76.8139.4172.6-111.1-95.9000109.8
418S42.2Very low49.3Very low102 Ų102143 Ų14371%0.71377%0.767SS**  trans-51.6142.2167.2460000114.4
419V43Very low48.9Very low217 Ų217140.5 Ų140.5100%1.31578%0.776SS**  trans-116.10149.91760000107.7

Retrieved 419 of 419 residues in 163.1 ms (Link to these results)