A0A3Q0KDZ3_SCHMA Loading...

Rna-binding ras-gap sh3 binding protein related

AlphaFold DB , UniProt , Accession A0A3Q0KDZ3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 378 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
1M56.1Low49.1Very low248 Ų248135.8 Ų135.8100%1.22280%0.796SS**  0118.40-74.6172.6175.800107.3
2V41.7Very low49.3Very low144 Ų144136.4 Ų136.487%0.87379%0.793SS**  trans-110.1114.3168.2-178.30000105.4
3S50.3Low49.5Very low106 Ų106129.5 Ų129.574%0.74176%0.757SS**  trans-99.4122.2174.650.30000108.8
4V44.4Very low50Low111 Ų111126.4 Ų126.467%0.67375%0.753SS**  trans-72.5133.5-179.7177.40000109.6E6V4-E6 HydrophobicContact CG1-CB 4.36Å; V4-E6 HydrophobicContact CG1-CG 3.77Å
5I50.3Low51Low159 Ų159123.7 Ų123.782%0.81573%0.729SS**  trans-99.588.8166.7-57.8175.7000107.1S7I5-S7 PolarHBondContact O-N 3.36Å
6E45.2Very low53.1Low177 Ų177117.4 Ų117.483%0.82769%0.692SS**  trans-85.396.7167.3-93.2167.2-16900108.8V4 N8V4-E6 HydrophobicContact CG1-CB 4.36Å; V4-E6 HydrophobicContact CG1-CG 3.77Å; E6-N8 PolarHBondContact O-N 3.04Å
7S54.9Low55.3Low104 Ų104110.5 Ų110.573%0.72765%0.651SS**  trans-74.7101.4172.554.80000110.1I5 A9I5-S7 PolarHBondContact O-N 3.36Å; S7-A9 PolarHBondContact O-N 3.16Å
8N42.7Very low57.2Low174 Ų174108.2 Ų108.293%0.9364%0.638SS**  trans-65.299177.2-131.9-12.3000110.4E6E6-N8 PolarHBondContact O-N 3.04Å
9A50.3Low58.9Low83 Ų83110.4 Ų110.469%0.68663%0.634SS**  trans-89.5127.4177.800000110.7S7S7-A9 PolarHBondContact O-N 3.16Å
10S49.4Very low60.5Low75 Ų75105.3 Ų105.352%0.52461%0.605SS.*  trans-63136.5-179.1-175.20000112.1D12 S13S10-D12 PolarHBondContact O-N 2.79Å; S10-S13 PolarHBondContact O-N 3.33Å
11P55Low62.1Low113 Ų113106.1 Ų106.173%0.73460%0.603SS**G310 helixtrans-65.1-18.7-178.426.3-35.3000114.5S13P11-S13 PolarHBondContact O-N 3.19Å; P11-S13 VanDerWaalsContact O-N 3.11Å
12D50.9Low63.9Low143 Ų14397.2 Ų97.277%0.76556%0.564SS**G310 helixtrans-74.13.2-179.6-60.3-33.2000114S10S10-D12 PolarHBondContact O-N 2.79Å
13S51.9Low66.4Low47 Ų4794.1 Ų94.133%0.32955%0.549SS..G310 helixtrans-100.317.2-173.7-151.80000113.7S10 P11 F15 R19S10-S13 PolarHBondContact O-N 3.33Å; P11-S13 PolarHBondContact O-N 3.19Å; P11-S13 VanDerWaalsContact O-N 3.11Å; S13-F15 PolarHBondContact O-N 2.87Å; S13-R19 VanDerWaalsContact CB-NH1 3.32Å; S13-R19 PolarHBondContact O-NH1 2.98Å; S13-R19 PolarHBondContact OG-NH1 3.28Å
14A56.5Low68.6Low85 Ų8592.4 Ų92.470%0.70253%0.531SS*.  trans-76.6-12.6-162.800000116.9
15F65Low71Confident87 Ų8787.4 Ų87.438%0.38250%0.501SS..  trans-132.360.3-174-156.5-98.7000113.1S13 M20 C129S13-F15 PolarHBondContact O-N 2.87Å; F15-M20 HydrophobicContact CD1-CE 3.52Å; F15-M20 HydrophobicContact CD2-CE 4.34Å; F15-M20 HydrophobicContact CE1-CE 3.25Å; F15-M20 HydrophobicContact CE2-CE 4.1Å; F15-M20 HydrophobicContact CG-CE 4.09Å; F15-M20 HydrophobicContact CZ-CE 3.57Å; F15-C129 HydrophobicContact CD1-CB 4.37Å; F15-C129 WeakPolarHBondContact CD1-SG 3.48Å
16T85.3Confident73.2Confident23 Ų2381.1 Ų81.114%0.14147%0.468CS..  trans-104.4143.9169.754.80000110V18 R19 M20 E125T16-V18 PolarHBondContact O-N 2.91Å; T16-R19 PolarHBondContact O-N 3.41Å; T16-M20 PolarHBondContact O-N 3.17Å; T16-E125 WeakPolarHBondContact CA-OE1 3.41Å; T16-E125 WeakPolarHBondContact CA-OE2 3.45Å
17V90.2Very high75.7Confident0 Ų075.7 Ų75.70%045%0.45CS..G310 helixtrans-53.5-33.3-178.4170.30000113R19 M20 R93 S98 V99 E125 F131V17-R19 PolarHBondContact O-N 3.1Å; V17-M20 HydrophobicContact CG2-CE 4.12Å; V17-M20 HydrophobicContact CG2-SD 4.16Å; V17-M20 PolarHBondContact O-N 2.67Å; V17-R93 HydrophobicContact CG1-CG 3.77Å; V17-R93 VanDerWaalsContact O-CD 3.3Å; V17-R93 WeakPolarHBondContact O-CD 3.43Å; V17-S98 WeakPolarHBondContact CG1-O 3.2Å; V17-V99 HydrophobicContact CG1-CG2 3.74Å; V17-V99 HydrophobicContact CG2-CG2 3.96Å; V17-E125 HydrophobicContact CG2-CB 4.23Å; V17-E125 WeakPolarHBondContact CG2-OE2 3.41Å; V17-E125 PolarHBondContact N-OE2 3.37Å; V17-F131 HydrophobicContact CG2-CE1 3.48Å; V17-F131 VanDerWaalsContact CG2-CE1 3.48Å; V17-F131 HydrophobicContact CG2-CZ 3.76Å
18V88.9Confident77.6Confident69 Ų6971.8 Ų71.842%0.41842%0.421SS..G310 helixtrans-60.6-26.1178.2-178.40000112.3T16 R93 N97T16-V18 PolarHBondContact O-N 2.91Å; V18-R93 PolarHBondContact O-NH1 3.14Å; V18-N97 VanDerWaalsContact CG2-OD1 3.28Å; V18-N97 WeakPolarHBondContact CG2-OD1 3.07Å
19R90.1Very high80.3Confident149 Ų14963.5 Ų63.556%0.56238%0.377SS*.G310 helixtrans-108.32.8-178.1-59.6-173-176.9123.74.2114.5S13 T16 V17S13-R19 VanDerWaalsContact CB-NH1 3.32Å; S13-R19 PolarHBondContact O-NH1 2.98Å; S13-R19 PolarHBondContact OG-NH1 3.28Å; T16-R19 PolarHBondContact O-N 3.41Å; V17-R19 PolarHBondContact O-N 3.1Å
20M91.3Very high82.5Confident9 Ų959.9 Ų59.94%0.04435%0.347CS..  trans-74.9138.2177.4-68.8-179.4-174.300111.1F15 T16 V17 D24 I25 L28 F131F15-M20 HydrophobicContact CD1-CE 3.52Å; F15-M20 HydrophobicContact CD2-CE 4.34Å; F15-M20 HydrophobicContact CE1-CE 3.25Å; F15-M20 HydrophobicContact CE2-CE 4.1Å; F15-M20 HydrophobicContact CG-CE 4.09Å; F15-M20 HydrophobicContact CZ-CE 3.57Å; T16-M20 PolarHBondContact O-N 3.17Å; V17-M20 HydrophobicContact CG2-CE 4.12Å; V17-M20 HydrophobicContact CG2-SD 4.16Å; V17-M20 PolarHBondContact O-N 2.67Å; M20-D24 HydrophobicContact CB-CB 4.15Å; M20-D24 HydrophobicContact CG-CB 4.43Å; M20-I25 HydrophobicContact CB-CD1 4.28Å; M20-I25 HydrophobicContact CB-CG1 3.69Å; M20-I25 HydrophobicContact SD-CG1 4.39Å; M20-L28 HydrophobicContact CE-CD2 4.25Å; M20-L28 HydrophobicContact SD-CD2 4.04Å; M20-F131 HydrophobicContact CE-CZ 4.05Å
21E94Very high84.8Confident123 Ų12361.9 Ų61.958%0.57535%0.348SS*.  trans-74.9157.9168.1-70.2-60.715100110.5S23 D24 I25E21-S23 PolarHBondContact O-N 3.43Å; E21-S23 VanDerWaalsContact O-N 3.08Å; E21-D24 PolarHBondContact N-OD2 3.12Å; E21-D24 WeakPolarHBondContact O-CB 3.33Å; E21-D24 PolarHBondContact O-N 3.44Å; E21-I25 PolarHBondContact O-N 3.39Å; E21-I25 VanDerWaalsContact O-N 3.16Å
22P93.8Very high86.8Confident60 Ų6057.3 Ų57.339%0.3932%0.317SS..Hα-helixtrans-54.5-31.8-178.4-28.235.9000114.5L26 V191P22-L26 PolarHBondContact O-N 2.66Å; P22-L26 VanDerWaalsContact O-N 3.16Å; P22-V191 HydrophobicContact CB-CG2 4.11Å
23S94.7Very high89.1Confident79 Ų7950.6 Ų50.655%0.55228%0.281SS*.Hα-helixtrans-66.3-37.3174.447.20000113.4E21 L26 S27E21-S23 PolarHBondContact O-N 3.43Å; E21-S23 VanDerWaalsContact O-N 3.08Å; S23-L26 PolarHBondContact O-N 2.91Å; S23-S27 WeakPolarHBondContact O-CB 3.45Å; S23-S27 PolarHBondContact O-N 3.33Å
24D94.9Very high91.2Very high70 Ų7049.4 Ų49.437%0.37427%0.272SS..Hα-helixtrans-73.5-37.9-179.3-55.4-34.1000110.4M20 E21 L26 S27 L28M20-D24 HydrophobicContact CB-CB 4.15Å; M20-D24 HydrophobicContact CG-CB 4.43Å; E21-D24 PolarHBondContact N-OD2 3.12Å; E21-D24 WeakPolarHBondContact O-CB 3.33Å; E21-D24 PolarHBondContact O-N 3.44Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 3.16Å; D24-S27 WeakPolarHBondContact O-CB 3.45Å; D24-S27 PolarHBondContact O-N 3.18Å; D24-L28 WeakPolarHBondContact O-CB 3.34Å; D24-L28 PolarHBondContact O-N 2.85Å
25I96.2Very high93.1Very high7 Ų747.2 Ų47.24%0.03625%0.247CC..Hα-helixtrans-60-44.8173.4-63.1175.6000110.7M20 E21 L28 A29 A91 R93 V99M20-I25 HydrophobicContact CB-CD1 4.28Å; M20-I25 HydrophobicContact CB-CG1 3.69Å; M20-I25 HydrophobicContact SD-CG1 4.39Å; E21-I25 PolarHBondContact O-N 3.39Å; E21-I25 VanDerWaalsContact O-N 3.16Å; I25-L28 PolarHBondContact O-N 3.45Å; I25-A29 WeakPolarHBondContact O-CB 3.29Å; I25-A29 PolarHBondContact O-N 3.36Å; I25-A91 HydrophobicContact CG2-CB 4.11Å; I25-R93 HydrophobicContact CD1-CB 3.74Å; I25-R93 HydrophobicContact CD1-CG 4.24Å; I25-V99 HydrophobicContact CG2-CG1 3.63Å; I25-V99 HydrophobicContact CG2-CG2 4.22Å
26L97Very high94.6Very high26 Ų2643.2 Ų43.214%0.13623%0.229CC..Hα-helixtrans-67.6-37.5176.9-173.760.4000112.3P22 S23 D24 A29 G30 L89 A91 V191 Y196P22-L26 PolarHBondContact O-N 2.66Å; P22-L26 VanDerWaalsContact O-N 3.16Å; S23-L26 PolarHBondContact O-N 2.91Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 3.16Å; L26-A29 PolarHBondContact O-N 2.94Å; L26-G30 PolarHBondContact O-N 2.89Å; L26-L89 HydrophobicContact CD1-CD2 4.46Å; L26-L89 HydrophobicContact CD1-CG 4.28Å; L26-A91 HydrophobicContact CD1-CB 4.12Å; L26-V191 HydrophobicContact CD2-CG1 4.17Å; L26-Y196 HydrophobicContact CD1-CD1 4.44Å; L26-Y196 HydrophobicContact CD2-CD1 4.19Å; L26-Y196 HydrophobicContact CG-CD1 4.49Å
27S96.4Very high95.1Very high64 Ų6442.3 Ų42.345%0.44822%0.223SC..Hα-helixtrans-63.3-47.1174.2-176.80000112S23 D24 A29 G30 Q31S23-S27 WeakPolarHBondContact O-CB 3.45Å; S23-S27 PolarHBondContact O-N 3.33Å; D24-S27 WeakPolarHBondContact O-CB 3.45Å; D24-S27 PolarHBondContact O-N 3.18Å; S27-A29 VanDerWaalsContact C-N 3.35Å; S27-A29 PolarHBondContact O-N 3.08Å; S27-G30 PolarHBondContact O-N 2.95Å; S27-Q31 WeakPolarHBondContact O-CG 3.46Å; S27-Q31 PolarHBondContact O-N 3.26Å; S27-Q31 PolarHBondContact OG-NE2 3.12Å
28L96.2Very high95.3Very high22 Ų2244.6 Ų44.612%0.11524%0.238CC..Hα-helixtrans-58.3-46174.6175.165.2000111.3M20 D24 I25 G30 Q31 F32 V99 F131M20-L28 HydrophobicContact CE-CD2 4.25Å; M20-L28 HydrophobicContact SD-CD2 4.04Å; D24-L28 WeakPolarHBondContact O-CB 3.34Å; D24-L28 PolarHBondContact O-N 2.85Å; I25-L28 PolarHBondContact O-N 3.45Å; L28-G30 PolarHBondContact O-N 2.92Å; L28-Q31 PolarHBondContact O-N 3.04Å; L28-F32 WeakPolarHBondContact O-CB 3.32Å; L28-F32 PolarHBondContact O-N 3Å; L28-V99 HydrophobicContact CD2-CG2 4.21Å; L28-F131 HydrophobicContact CD1-CD2 4.07Å; L28-F131 HydrophobicContact CD1-CE2 3.85Å; L28-F131 HydrophobicContact CD1-CZ 4.33Å; L28-F131 HydrophobicContact CD2-CD1 4.49Å; L28-F131 HydrophobicContact CD2-CE1 3.85Å; L28-F131 HydrophobicContact CD2-CE2 3.95Å; L28-F131 HydrophobicContact CD2-CZ 3.55Å
29A97.7Very high95.6Very high0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-62.2-41.6177.600000112.4I25 L26 S27 F32 V33 A91 I101I25-A29 WeakPolarHBondContact O-CB 3.29Å; I25-A29 PolarHBondContact O-N 3.36Å; L26-A29 PolarHBondContact O-N 2.94Å; S27-A29 VanDerWaalsContact C-N 3.35Å; S27-A29 PolarHBondContact O-N 3.08Å; A29-F32 PolarHBondContact O-N 3.28Å; A29-V33 WeakPolarHBondContact O-CB 3.33Å; A29-V33 WeakPolarHBondContact O-CG2 3.41Å; A29-V33 PolarHBondContact O-N 3.49Å; A29-A91 HydrophobicContact CB-CB 3.45Å; A29-A91 VanDerWaalsContact CB-CB 3.45Å; A29-I101 HydrophobicContact CB-CD1 3.67Å; A29-I101 HydrophobicContact CB-CG1 3.79Å; A29-I101 HydrophobicContact CB-CG2 4.15Å
30G97.7Very high95.7Very high6 Ų634.9 Ų34.96%0.06220%0.195CC..Hα-helixtrans-61.6-47.3175.800000112.5L26 S27 L28 F32 V33 V34L26-G30 PolarHBondContact O-N 2.89Å; S27-G30 PolarHBondContact O-N 2.95Å; L28-G30 PolarHBondContact O-N 2.92Å; G30-F32 PolarHBondContact O-N 3.46Å; G30-V33 PolarHBondContact O-N 3.15Å; G30-V34 WeakPolarHBondContact O-CG2 3.45Å; G30-V34 PolarHBondContact O-N 3.06Å
31Q97.2Very high95.8Very high118 Ų11837.9 Ų37.955%0.55121%0.207SC*.Hα-helixtrans-60.8-45.4176.6-69.3174.349.700112S27 L28 Q35S27-Q31 WeakPolarHBondContact O-CG 3.46Å; S27-Q31 PolarHBondContact O-N 3.26Å; S27-Q31 PolarHBondContact OG-NE2 3.12Å; L28-Q31 PolarHBondContact O-N 3.04Å; Q31-Q35 VanDerWaalsContact O-CB 3.31Å; Q31-Q35 WeakPolarHBondContact O-CB 3.19Å; Q31-Q35 PolarHBondContact O-N 2.84Å; Q31-Q35 VanDerWaalsContact O-N 3.1Å
32F97.8Very high95.7Very high17 Ų1740 Ų408%0.07522%0.215CC..Hα-helixtrans-59.2-48.4175167-99.6000111.7L28 A29 G30 Q35 Y36 F50 I101 F121 L123 V133L28-F32 WeakPolarHBondContact O-CB 3.32Å; L28-F32 PolarHBondContact O-N 3Å; A29-F32 PolarHBondContact O-N 3.28Å; G30-F32 PolarHBondContact O-N 3.46Å; F32-Q35 PolarHBondContact O-N 3.36Å; F32-Y36 HydrophobicContact CE2-CD2 4.11Å; F32-Y36 AromaticContact CZ-CD2 3.76Å; F32-Y36 HydrophobicContact CZ-CD2 3.76Å; F32-Y36 HydrophobicContact CZ-CG 4.07Å; F32-Y36 WeakPolarHBondContact O-CB 3.05Å; F32-Y36 PolarHBondContact O-N 3.2Å; F32-F50 HydrophobicContact CE2-CD1 4.03Å; F32-F50 HydrophobicContact CE2-CE1 4.34Å; F32-I101 HydrophobicContact CD1-CD1 3.65Å; F32-I101 HydrophobicContact CE1-CD1 4.3Å; F32-I101 HydrophobicContact CG-CD1 4.35Å; F32-F121 HydrophobicContact CE1-CB 4.23Å; F32-F121 AromaticContact CE1-CD1 3.93Å; F32-F121 HydrophobicContact CE1-CD1 3.93Å; F32-F121 AromaticContact CE1-CD2 3.78Å; F32-F121 HydrophobicContact CE1-CD2 3.78Å; F32-F121 HydrophobicContact CE1-CE1 4.13Å; F32-F121 AromaticContact CE1-CE2 3.99Å; F32-F121 HydrophobicContact CE1-CE2 3.99Å; F32-F121 AromaticContact CE1-CG 3.72Å; F32-F121 HydrophobicContact CE1-CG 3.72Å; F32-F121 HydrophobicContact CE1-CZ 4.14Å; F32-F121 AromaticContact CZ-CD1 3.94Å; F32-F121 HydrophobicContact CZ-CD1 3.94Å; F32-F121 HydrophobicContact CZ-CE1 4.06Å; F32-F121 HydrophobicContact CZ-CG 4.19Å; F32-F121 HydrophobicContact CZ-CZ 4.42Å; F32-L123 HydrophobicContact CB-CD1 4Å; F32-L123 HydrophobicContact CD1-CD1 4.19Å; F32-L123 HydrophobicContact CD1-CD2 4.18Å; F32-L123 HydrophobicContact CD2-CD1 4.12Å; F32-L123 HydrophobicContact CD2-CD2 3.91Å; F32-L123 HydrophobicContact CE1-CD2 4.04Å; F32-L123 HydrophobicContact CE2-CD2 3.75Å; F32-L123 HydrophobicContact CG-CD1 3.81Å; F32-L123 HydrophobicContact CG-CD2 4.13Å; F32-L123 HydrophobicContact CZ-CD2 3.83Å; F32-V133 HydrophobicContact CE2-CG2 3.6Å; F32-V133 HydrophobicContact CZ-CG2 3.48Å; F32-V133 VanDerWaalsContact CZ-CG2 3.48Å
33V97.9Very high95.6Very high2 Ų239.7 Ų39.71%0.01221%0.214CC..Hα-helixtrans-59.5-50.1-178.7155.80000111.7A29 G30 Q35 Y36 Y37 I86 L89 I101 V103A29-V33 WeakPolarHBondContact O-CB 3.33Å; A29-V33 WeakPolarHBondContact O-CG2 3.41Å; A29-V33 PolarHBondContact O-N 3.49Å; G30-V33 PolarHBondContact O-N 3.15Å; V33-Q35 VanDerWaalsContact C-N 3.27Å; V33-Q35 PolarHBondContact O-N 3.08Å; V33-Y36 PolarHBondContact O-N 3.44Å; V33-Y37 HydrophobicContact CG1-CD2 3.85Å; V33-Y37 HydrophobicContact CG1-CE2 3.88Å; V33-Y37 WeakPolarHBondContact O-CD2 3.46Å; V33-Y37 PolarHBondContact O-N 2.69Å; V33-Y37 VanDerWaalsContact O-N 3.1Å; V33-I86 HydrophobicContact CG1-CG1 4.21Å; V33-L89 HydrophobicContact CG2-CD1 3.86Å; V33-I101 HydrophobicContact CG2-CG2 4.26Å; V33-V103 HydrophobicContact CG2-CG2 3.78Å
34V96.4Very high95.5Very high21 Ų2137.2 Ų37.213%0.12720%0.196CC..Hα-helixtrans-58.2-43.2177.51710000110.7G30 T38 T199 V203G30-V34 WeakPolarHBondContact O-CG2 3.45Å; G30-V34 PolarHBondContact O-N 3.06Å; V34-T38 WeakPolarHBondContact O-CB 3Å; V34-T38 PolarHBondContact O-N 2.8Å; V34-T38 PolarHBondContact O-OG1 2.99Å; V34-T199 HydrophobicContact CG2-CG2 3.99Å; V34-T199 VanDerWaalsContact CG2-O 3.26Å; V34-T199 WeakPolarHBondContact CG2-O 3.41Å; V34-V203 HydrophobicContact CB-CG2 4.24Å; V34-V203 HydrophobicContact CG1-CG2 3.98Å; V34-V203 HydrophobicContact CG2-CG2 3.94Å
35Q96Very high95.4Very high40 Ų4036.7 Ų36.719%0.18720%0.197CC..Hα-helixtrans-69.9-44.3-178.8-165178.154.300112.9Q31 F32 V33 T38 V39 F50 S255 A257Q31-Q35 VanDerWaalsContact O-CB 3.31Å; Q31-Q35 WeakPolarHBondContact O-CB 3.19Å; Q31-Q35 PolarHBondContact O-N 2.84Å; Q31-Q35 VanDerWaalsContact O-N 3.1Å; F32-Q35 PolarHBondContact O-N 3.36Å; V33-Q35 VanDerWaalsContact C-N 3.27Å; V33-Q35 PolarHBondContact O-N 3.08Å; Q35-T38 PolarHBondContact O-N 3.01Å; Q35-V39 WeakPolarHBondContact O-CG2 3.33Å; Q35-V39 PolarHBondContact O-N 2.75Å; Q35-F50 HydrophobicContact CG-CE1 4.38Å; Q35-F50 HydrophobicContact CG-CZ 4.08Å; Q35-S255 PolarHBondContact NE2-OG 3.42Å; Q35-A257 HydrophobicContact CG-CB 4.36Å; Q35-A257 VanDerWaalsContact NE2-N 3.19Å
36Y97.4Very high95.4Very high3 Ų336.5 Ų36.51%0.01220%0.197CC..Hα-helixtrans-59-52.1179.1-175.3-92000111.1F32 V33 V39 M40 I47 F50 Y51 F121F32-Y36 HydrophobicContact CE2-CD2 4.11Å; F32-Y36 AromaticContact CZ-CD2 3.76Å; F32-Y36 HydrophobicContact CZ-CD2 3.76Å; F32-Y36 HydrophobicContact CZ-CG 4.07Å; F32-Y36 WeakPolarHBondContact O-CB 3.05Å; F32-Y36 PolarHBondContact O-N 3.2Å; V33-Y36 PolarHBondContact O-N 3.44Å; Y36-V39 PolarHBondContact O-N 3.43Å; Y36-M40 WeakPolarHBondContact O-CB 3.33Å; Y36-M40 PolarHBondContact O-N 2.93Å; Y36-I47 HydrophobicContact CE2-CG2 3.69Å; Y36-F50 AromaticContact CD2-CD2 3.83Å; Y36-F50 HydrophobicContact CD2-CD2 3.83Å; Y36-F50 HydrophobicContact CD2-CE2 4.05Å; Y36-F50 HydrophobicContact CD2-CG 4.19Å; Y36-F50 HydrophobicContact CE2-CD2 4.24Å; Y36-Y51 HydrophobicContact CE2-CE2 4.01Å; Y36-Y51 WeakPolarHBondContact CE2-OH 3.32Å; Y36-Y51 PolarHBondContact OH-OH 2.86Å; Y36-F121 HydrophobicContact CD1-CE1 4.37Å; Y36-F121 AromaticContact CD1-CZ 3.92Å; Y36-F121 HydrophobicContact CD1-CZ 3.92Å; Y36-F121 HydrophobicContact CD2-CE1 4.4Å; Y36-F121 HydrophobicContact CE1-CE1 4.06Å; Y36-F121 AromaticContact CE1-CZ 3.84Å; Y36-F121 HydrophobicContact CE1-CZ 3.84Å; Y36-F121 HydrophobicContact CE2-CE1 4.08Å; Y36-F121 HydrophobicContact CG-CZ 4.34Å; Y36-F121 AromaticContact CZ-CE1 3.91Å
37Y96Very high95.3Very high3 Ų335.3 Ų35.31%0.01219%0.19CC..Hα-helixtrans-71.1-30.5179.8-68.7-58.4000113V33 M40 K41 I84 I86 V103 F117 Q119V33-Y37 HydrophobicContact CG1-CD2 3.85Å; V33-Y37 HydrophobicContact CG1-CE2 3.88Å; V33-Y37 WeakPolarHBondContact O-CD2 3.46Å; V33-Y37 PolarHBondContact O-N 2.69Å; V33-Y37 VanDerWaalsContact O-N 3.1Å; Y37-M40 HydrophobicContact CD1-CE 3.73Å; Y37-M40 HydrophobicContact CD1-SD 4.36Å; Y37-M40 HydrophobicContact CE1-CE 4.17Å; Y37-M40 PolarHBondContact O-N 3.38Å; Y37-K41 WeakPolarHBondContact O-CB 3.27Å; Y37-K41 PolarHBondContact O-N 3.3Å; Y37-I84 HydrophobicContact CD1-CD1 4.03Å; Y37-I84 HydrophobicContact CD1-CG1 4.37Å; Y37-I84 HydrophobicContact CD1-CG2 4.15Å; Y37-I84 HydrophobicContact CE1-CG2 4.4Å; Y37-I84 HydrophobicContact CG-CD1 4.36Å; Y37-I84 HydrophobicContact CG-CG2 4.23Å; Y37-I86 HydrophobicContact CD2-CD1 3.8Å; Y37-I86 HydrophobicContact CD2-CG1 4.34Å; Y37-I86 HydrophobicContact CE2-CD1 3.49Å; Y37-I86 VanDerWaalsContact CE2-CD1 3.49Å; Y37-I86 HydrophobicContact CE2-CG1 4.37Å; Y37-V103 HydrophobicContact CE2-CG1 4.22Å; Y37-F117 HydrophobicContact CE1-CZ 4.49Å; Y37-F117 VanDerWaalsContact OH-CE2 3.32Å; Y37-F117 WeakPolarHBondContact OH-CE2 3.1Å; Y37-Q119 PolarHBondContact OH-OE1 3.35Å
38T94.3Very high95.3Very high49 Ų4933.8 Ų33.830%0.30118%0.176SC..Hα-helixtrans-63.6-45.2170.7-66.80000111.8V34 Q35 K42V34-T38 WeakPolarHBondContact O-CB 3Å; V34-T38 PolarHBondContact O-N 2.8Å; V34-T38 PolarHBondContact O-OG1 2.99Å; Q35-T38 PolarHBondContact O-N 3.01Å; T38-K42 HydrophobicContact CG2-CD 3.9Å; T38-K42 WeakPolarHBondContact O-CB 3.37Å; T38-K42 WeakPolarHBondContact O-CG 3.49Å; T38-K42 PolarHBondContact O-N 3.42Å
39V94.4Very high95.4Very high12 Ų1236 Ų367%0.07318%0.183CC..Hα-helixtrans-65-42.1174.5172.30000110Q35 Y36 K41 K42 C43 I47 F50Q35-V39 WeakPolarHBondContact O-CG2 3.33Å; Q35-V39 PolarHBondContact O-N 2.75Å; Y36-V39 PolarHBondContact O-N 3.43Å; V39-K41 PolarHBondContact O-N 2.97Å; V39-K42 PolarHBondContact O-N 3.48Å; V39-C43 CarbonylContact O-C 3.51Å; V39-C43 WeakPolarHBondContact O-CA 3.44Å; V39-C43 PolarHBondContact O-N 2.79Å; V39-I47 HydrophobicContact CG1-CG1 4.07Å; V39-F50 HydrophobicContact CB-CE2 3.89Å; V39-F50 HydrophobicContact CB-CZ 4.38Å; V39-F50 HydrophobicContact CG1-CE2 4.04Å; V39-F50 HydrophobicContact CG2-CE2 3.96Å; V39-F50 HydrophobicContact CG2-CZ 4.03Å
40M93.7Very high95.4Very high2 Ų236.2 Ų36.21%0.0118%0.184CC..Hα-helixtrans-56.3-48.8177-173.5169.887.400112.4Y36 Y37 P44 I47 L79 I84 I107Y36-M40 WeakPolarHBondContact O-CB 3.33Å; Y36-M40 PolarHBondContact O-N 2.93Å; Y37-M40 HydrophobicContact CD1-CE 3.73Å; Y37-M40 HydrophobicContact CD1-SD 4.36Å; Y37-M40 HydrophobicContact CE1-CE 4.17Å; Y37-M40 PolarHBondContact O-N 3.38Å; M40-P44 WeakPolarHBondContact O-CG 3.16Å; M40-I47 HydrophobicContact CB-CD1 3.69Å; M40-I47 HydrophobicContact CB-CG1 4.22Å; M40-I47 HydrophobicContact CG-CD1 3.58Å; M40-I47 HydrophobicContact SD-CD1 4.43Å; M40-L79 HydrophobicContact CG-CB 4.4Å; M40-L79 HydrophobicContact CG-CD1 3.92Å; M40-L79 HydrophobicContact SD-CD1 4.09Å; M40-I84 HydrophobicContact CE-CD1 3.43Å; M40-I84 VanDerWaalsContact CE-CD1 3.43Å; M40-I84 HydrophobicContact CE-CG1 3.84Å; M40-I107 HydrophobicContact CE-CD1 3.58Å
41K91.6Very high95.4Very high71 Ų7136 Ų3631%0.30918%0.181SC..Hα-helixtrans-68.9-42.5179.3-178.1173.7-177.3176.90113.4Y37 V39 S82 C206Y37-K41 WeakPolarHBondContact O-CB 3.27Å; Y37-K41 PolarHBondContact O-N 3.3Å; V39-K41 PolarHBondContact O-N 2.97Å; K41-S82 WeakPolarHBondContact CD-O 3.35Å; K41-S82 WeakPolarHBondContact CG-O 3.47Å; K41-C206 PolarHBondContact NZ-SG 3.21Å
42K92.1Very high95.4Very high169 Ų16932.9 Ų32.974%0.73517%0.166SC*.Hα-helixtrans-93-27.1-170.5-65.1-178.2-179173.10114.6T38 V39T38-K42 HydrophobicContact CG2-CD 3.9Å; T38-K42 WeakPolarHBondContact O-CB 3.37Å; T38-K42 WeakPolarHBondContact O-CG 3.49Å; T38-K42 PolarHBondContact O-N 3.42Å; V39-K42 PolarHBondContact O-N 3.48Å
43C92.2Very high95.4Very high53 Ų5338.7 Ų38.736%0.35820%0.198SC..  trans-156.474-174.9-170.80000110.2V39 S45 G46V39-C43 CarbonylContact O-C 3.51Å; V39-C43 WeakPolarHBondContact O-CA 3.44Å; V39-C43 PolarHBondContact O-N 2.79Å; C43-S45 PolarHBondContact O-N 2.79Å; C43-S45 VanDerWaalsContact O-N 3.07Å; C43-S45 PolarHBondContact SG-OG 2.76Å; C43-G46 WeakPolarHBondContact O-CA 3.49Å; C43-G46 PolarHBondContact O-N 3.11Å
44P92.5Very high95.4Very high27 Ų2741.8 Ų41.818%0.17521%0.214CC..G310 helixtrans-53-33-179.5-23.728.1000113.5M40 G46 I47 M75 L79M40-P44 WeakPolarHBondContact O-CG 3.16Å; P44-G46 PolarHBondContact O-N 2.04Å; P44-I47 VanDerWaalsContact O-CG1 3.32Å; P44-I47 WeakPolarHBondContact O-CG1 3.38Å; P44-I47 PolarHBondContact O-N 3.45Å; P44-M75 HydrophobicContact CB-CE 4.31Å; P44-L79 HydrophobicContact CB-CB 4.31Å; P44-L79 HydrophobicContact CG-CB 4.3Å
45S93.6Very high95.5Very high59 Ų5940.8 Ų40.841%0.41321%0.208SC..G310 helixtrans-65.7-18.4176.558.60000113.6C43 H48 M75C43-S45 PolarHBondContact O-N 2.79Å; C43-S45 VanDerWaalsContact O-N 3.07Å; C43-S45 PolarHBondContact SG-OG 2.76Å; S45-H48 PolarHBondContact O-CE1 3.06Å; S45-H48 PolarHBondContact O-ND1 3.07Å; S45-M75 VanDerWaalsContact CA-CE 3.46Å
46G94.5Very high95.6Very high2 Ų240.2 Ų40.22%0.02121%0.209CC..G310 helixtrans-81-18.217400000115.1C43 P44 H48 R49C43-G46 WeakPolarHBondContact O-CA 3.49Å; C43-G46 PolarHBondContact O-N 3.11Å; P44-G46 PolarHBondContact O-N 2.04Å; G46-H48 VanDerWaalsContact C-N 3.32Å; G46-H48 PolarHBondContact O-N 3.33Å; G46-R49 WeakPolarHBondContact O-CB 3.35Å; G46-R49 WeakPolarHBondContact O-CG 3.42Å; G46-R49 PolarHBondContact O-N 2.8Å; G46-R49 VanDerWaalsContact O-N 3.14Å
47I95.9Very high95.7Very high1 Ų140.1 Ų40.11%0.00521%0.208CC..G310 helixtrans-60.3-40.1-172.2-59.3172.2000112Y36 V39 M40 P44 R49 F50 Y51 I74 L79Y36-I47 HydrophobicContact CE2-CG2 3.69Å; V39-I47 HydrophobicContact CG1-CG1 4.07Å; M40-I47 HydrophobicContact CB-CD1 3.69Å; M40-I47 HydrophobicContact CB-CG1 4.22Å; M40-I47 HydrophobicContact CG-CD1 3.58Å; M40-I47 HydrophobicContact SD-CD1 4.43Å; P44-I47 VanDerWaalsContact O-CG1 3.32Å; P44-I47 WeakPolarHBondContact O-CG1 3.38Å; P44-I47 PolarHBondContact O-N 3.45Å; I47-R49 PolarHBondContact O-N 2.85Å; I47-F50 WeakPolarHBondContact O-CD2 3.16Å; I47-F50 PolarHBondContact O-N 2.86Å; I47-F50 VanDerWaalsContact O-N 3.08Å; I47-Y51 HydrophobicContact CG2-CE2 4.01Å; I47-Y51 WeakPolarHBondContact O-CD2 3.49Å; I47-I74 HydrophobicContact CB-CD1 3.97Å; I47-I74 HydrophobicContact CB-CG2 4.31Å; I47-I74 HydrophobicContact CD1-CG2 3.86Å; I47-I74 HydrophobicContact CG2-CD1 3.69Å; I47-L79 HydrophobicContact CD1-CD1 3.89Å
48H96.4Very high95.8Very high33 Ų3342.4 Ų42.415%0.15322%0.22CC..G310 helixtrans-56.4-24.3-178.675.1-85.2000113.3S45 G46 F50 Y51 Q67 H71S45-H48 PolarHBondContact O-CE1 3.06Å; S45-H48 PolarHBondContact O-ND1 3.07Å; G46-H48 VanDerWaalsContact C-N 3.32Å; G46-H48 PolarHBondContact O-N 3.33Å; H48-F50 VanDerWaalsContact C-N 3.26Å; H48-F50 PolarHBondContact O-N 2.99Å; H48-Y51 WeakPolarHBondContact O-CB 3.28Å; H48-Y51 PolarHBondContact O-N 3.2Å; H48-Q67 HydrophobicContact CB-CG 4.46Å; H48-Q67 VanDerWaalsContact O-CG 3.25Å; H48-Q67 WeakPolarHBondContact O-CG 3.31Å; H48-H71 HydrophobicContact CB-CB 3.57Å; H48-H71 AromaticContact CG-CG 3.77Å; H48-H71 AromaticContact CG-ND1 3.62Å; H48-H71 AromaticContact ND1-CE1 3.66Å; H48-H71 AromaticContact ND1-CG 3.81Å; H48-H71 AromaticContact ND1-ND1 3.26Å; H48-H71 PolarHBondContact ND1-ND1 2.61Å
49R97.1Very high95.7Very high68 Ų6840.5 Ų40.526%0.25721%0.208SC..G310 helixtrans-62.3-33.8-179.7-58.4-173.7-174.8-163.67.2111.7G46 I47 Y51 W256 M259 A260 R262G46-R49 WeakPolarHBondContact O-CB 3.35Å; G46-R49 WeakPolarHBondContact O-CG 3.42Å; G46-R49 PolarHBondContact O-N 2.8Å; G46-R49 VanDerWaalsContact O-N 3.14Å; I47-R49 PolarHBondContact O-N 2.85Å; R49-Y51 PolarHBondContact O-N 2.62Å; R49-W256 VanDerWaalsContact C-CZ2 3.45Å; R49-W256 HydrophobicContact CB-CZ2 3.83Å; R49-W256 WeakPolarHBondContact O-CZ2 3.25Å; R49-M259 PolarHBondContact NH1-O 3.16Å; R49-A260 VanDerWaalsContact CZ-O 3.29Å; R49-A260 PolarHBondContact NH1-O 2.81Å; R49-A260 VanDerWaalsContact NH1-O 3.09Å; R49-R262 PolarHBondContact NH1-O 3.49Å; R49-R262 PolarHBondContact NH2-O 3.48Å
50F97.8Very high95.1Very high5 Ų544 Ų442%0.02222%0.223CC..G310 helixtrans-61.2-12.1176.1-69.2-78.6000113.8F32 Q35 Y36 V39 I47 H48 Y132 V133 W256F32-F50 HydrophobicContact CE2-CD1 4.03Å; F32-F50 HydrophobicContact CE2-CE1 4.34Å; Q35-F50 HydrophobicContact CG-CE1 4.38Å; Q35-F50 HydrophobicContact CG-CZ 4.08Å; Y36-F50 AromaticContact CD2-CD2 3.83Å; Y36-F50 HydrophobicContact CD2-CD2 3.83Å; Y36-F50 HydrophobicContact CD2-CE2 4.05Å; Y36-F50 HydrophobicContact CD2-CG 4.19Å; Y36-F50 HydrophobicContact CE2-CD2 4.24Å; V39-F50 HydrophobicContact CB-CE2 3.89Å; V39-F50 HydrophobicContact CB-CZ 4.38Å; V39-F50 HydrophobicContact CG1-CE2 4.04Å; V39-F50 HydrophobicContact CG2-CE2 3.96Å; V39-F50 HydrophobicContact CG2-CZ 4.03Å; I47-F50 WeakPolarHBondContact O-CD2 3.16Å; I47-F50 PolarHBondContact O-N 2.86Å; I47-F50 VanDerWaalsContact O-N 3.08Å; H48-F50 VanDerWaalsContact C-N 3.26Å; H48-F50 PolarHBondContact O-N 2.99Å; F50-Y132 CarbonylContact O-C 3.55Å; F50-Y132 WeakPolarHBondContact O-CA 3.49Å; F50-Y132 WeakPolarHBondContact O-CB 3.08Å; F50-V133 HydrophobicContact CB-CG2 4.12Å; F50-V133 PolarHBondContact O-N 3.34Å; F50-W256 AromaticContact CD1-CD1 3.56Å; F50-W256 HydrophobicContact CD1-CD2 4.49Å; F50-W256 HydrophobicContact CD1-CG 4.15Å; F50-W256 AromaticContact CD1-NE1 3.62Å; F50-W256 HydrophobicContact CE1-CB 4.36Å; F50-W256 AromaticContact CE1-CD1 3.24Å; F50-W256 AromaticContact CE1-CG 3.84Å; F50-W256 HydrophobicContact CE1-CG 3.84Å; F50-W256 AromaticContact CE1-NE1 3.8Å; F50-W256 AromaticContact CG-NE1 3.82Å; F50-W256 AromaticContact CZ-CD1 3.55Å; F50-W256 HydrophobicContact CZ-CG 4.46Å
51Y98.4Very high94.6Very high0 Ų047.8 Ų47.80%024%0.244CC..  trans-108.4165-177-58.9-93.5000110.9Y36 I47 H48 R49 S55 M57 Q67 I70 V133 D136Y36-Y51 HydrophobicContact CE2-CE2 4.01Å; Y36-Y51 WeakPolarHBondContact CE2-OH 3.32Å; Y36-Y51 PolarHBondContact OH-OH 2.86Å; I47-Y51 HydrophobicContact CG2-CE2 4.01Å; I47-Y51 WeakPolarHBondContact O-CD2 3.49Å; H48-Y51 WeakPolarHBondContact O-CB 3.28Å; H48-Y51 PolarHBondContact O-N 3.2Å; R49-Y51 PolarHBondContact O-N 2.62Å; Y51-S55 WeakPolarHBondContact CA-OG 3.31Å; Y51-M57 HydrophobicContact CE1-CE 3.94Å; Y51-M57 HydrophobicContact CE2-CE 4.03Å; Y51-M57 VanDerWaalsContact CZ-CE 3.49Å; Y51-M57 VanDerWaalsContact OH-CE 3.31Å; Y51-M57 WeakPolarHBondContact OH-CE 3.48Å; Y51-Q67 PolarHBondContact O-NE2 2.82Å; Y51-I70 HydrophobicContact CD1-CD1 3.74Å; Y51-I70 HydrophobicContact CD1-CG2 4.3Å; Y51-I70 HydrophobicContact CD2-CG2 3.83Å; Y51-I70 HydrophobicContact CE1-CD1 4.44Å; Y51-I70 HydrophobicContact CE2-CG2 4.15Å; Y51-I70 HydrophobicContact CG-CD1 4.01Å; Y51-I70 HydrophobicContact CG-CG2 3.92Å; Y51-V133 HydrophobicContact CD1-CB 3.73Å; Y51-V133 HydrophobicContact CD1-CG1 3.89Å; Y51-V133 HydrophobicContact CE1-CB 3.58Å; Y51-V133 HydrophobicContact CE1-CG1 3.32Å; Y51-V133 HydrophobicContact CE1-CG2 4.34Å; Y51-V133 HydrophobicContact CG-CB 4.4Å; Y51-D136 HydrophobicContact CE1-CB 3.93Å; Y51-D136 PolarHBondContact OH-OD2 3.13Å
52K98Very high94.6Very high54 Ų5447 Ų4724%0.23524%0.244CC..  trans-129.1-175177.9-59.8-74.9174.31530109.3D54 S55 Q67 Y132K52-D54 VanDerWaalsContact C-N 3.32Å; K52-D54 VanDerWaalsContact CB-OD1 3.28Å; K52-D54 WeakPolarHBondContact CB-OD1 3.34Å; K52-D54 PolarHBondContact O-N 3.3Å; K52-S55 PolarHBondContact N-OG 3.08Å; K52-S55 WeakPolarHBondContact O-CB 3.43Å; K52-S55 PolarHBondContact O-N 2.87Å; K52-S55 PolarHBondContact O-OG 2.73Å; K52-Q67 PolarHBondContact O-N 2.84Å; K52-Y132 HydrophobicContact CB-CD2 3.77Å; K52-Y132 HydrophobicContact CB-CE2 3.9Å; K52-Y132 HydrophobicContact CB-CG 4.39Å; K52-Y132 HydrophobicContact CD-CG 4.46Å; K52-Y132 HydrophobicContact CG-CD1 4.03Å; K52-Y132 HydrophobicContact CG-CD2 3.31Å; K52-Y132 HydrophobicContact CG-CE1 4.44Å; K52-Y132 HydrophobicContact CG-CE2 3.79Å; K52-Y132 HydrophobicContact CG-CG 3.43Å; K52-Y132 VanDerWaalsContact CG-CG 3.43Å
53D98Very high94.7Very high138 Ų13841.1 Ų41.174%0.73822%0.224SC*.THydrogen-bonded Turntrans-73.4-21.8-176.8-64.7-36.6000113.8G66D53-G66 WeakPolarHBondContact O-CA 3.38Å
54D97.8Very high95Very high67 Ų6739.5 Ų39.536%0.35821%0.212SC..THydrogen-bonded Turntrans-88.8-4.517364.7-41.1000113.6K52 Y132 L134K52-D54 VanDerWaalsContact C-N 3.32Å; K52-D54 VanDerWaalsContact CB-OD1 3.28Å; K52-D54 WeakPolarHBondContact CB-OD1 3.34Å; K52-D54 PolarHBondContact O-N 3.3Å; D54-Y132 VanDerWaalsContact OD1-CE2 3.32Å; D54-Y132 WeakPolarHBondContact OD1-CE2 3.34Å; D54-Y132 PolarHBondContact OD2-OH 3.08Å; D54-L134 WeakPolarHBondContact OD2-CD1 3.17Å
55S98.5Very high95.2Very high0 Ų039.4 Ų39.40%021%0.212CC..  trans-69.2145.8-179.4-65.50000113.3Y51 K52 C65 G66 V133 L134Y51-S55 WeakPolarHBondContact CA-OG 3.31Å; K52-S55 PolarHBondContact N-OG 3.08Å; K52-S55 WeakPolarHBondContact O-CB 3.43Å; K52-S55 PolarHBondContact O-N 2.87Å; K52-S55 PolarHBondContact O-OG 2.73Å; S55-C65 CarbonylContact O-C 3.59Å; S55-C65 WeakPolarHBondContact O-CA 3.33Å; S55-G66 PolarHBondContact O-N 2.93Å; S55-V133 WeakPolarHBondContact CB-O 3.28Å; S55-V133 PolarHBondContact OG-O 3.24Å; S55-L134 CarbonylContact C-O 2.99Å; S55-L134 VanDerWaalsContact CA-O 3.23Å; S55-L134 WeakPolarHBondContact CA-O 3.13Å
56S98.4Very high95.4Very high28 Ų2837.1 Ų37.120%0.19620%0.197CC..EExtended strand (participates in β ladder)trans-123.2140.4172.9-59.80000111.7V64 L134 N135 D136S56-V64 WeakPolarHBondContact CA-O 3.5Å; S56-L134 PolarHBondContact N-O 2.83Å; S56-N135 CarbonylContact O-C 3.56Å; S56-N135 VanDerWaalsContact O-CA 3.31Å; S56-N135 WeakPolarHBondContact O-CA 3.46Å; S56-D136 PolarHBondContact O-N 3.07Å
57M98.1Very high95.6Very high1 Ų139.9 Ų39.91%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-129.1135.1174.4178.1-174.2-71.500110.4Y51 P63 V64 I70 I74 D136Y51-M57 HydrophobicContact CE1-CE 3.94Å; Y51-M57 HydrophobicContact CE2-CE 4.03Å; Y51-M57 VanDerWaalsContact CZ-CE 3.49Å; Y51-M57 VanDerWaalsContact OH-CE 3.31Å; Y51-M57 WeakPolarHBondContact OH-CE 3.48Å; M57-P63 CarbonylContact O-C 3.55Å; M57-P63 WeakPolarHBondContact O-CA 3.36Å; M57-V64 HydrophobicContact CB-CG2 3.86Å; M57-V64 HydrophobicContact CG-CG2 4.49Å; M57-V64 PolarHBondContact N-O 3.13Å; M57-V64 PolarHBondContact O-N 3.08Å; M57-I70 HydrophobicContact CB-CD1 4.3Å; M57-I70 HydrophobicContact CB-CG1 4.02Å; M57-I70 HydrophobicContact CE-CG2 3.66Å; M57-I70 HydrophobicContact SD-CG2 4.43Å; M57-I74 HydrophobicContact CE-CD1 4.17Å; M57-I74 HydrophobicContact CE-CG1 4.38Å; M57-D136 CarbonylContact C-O 3.6Å; M57-D136 VanDerWaalsContact CA-O 3.28Å; M57-D136 WeakPolarHBondContact CA-O 3.47Å; M57-D136 HydrophobicContact CB-CB 4.35Å; M57-D136 HydrophobicContact CE-CB 4.39Å; M57-D136 WeakPolarHBondContact CE-OD2 3.33Å; M57-D136 HydrophobicContact CG-CB 4.14Å
58I97.4Very high95.7Very high52 Ų5247 Ų4727%0.26724%0.237SC..EExtended strand (participates in β ladder)trans-117.1123.7166.5-58.1176.1000108.3P63 D136 I137 F138I58-P63 HydrophobicContact CG1-CB 4.25Å; I58-D136 PolarHBondContact N-O 3.06Å; I58-I137 HydrophobicContact CB-CG1 4.34Å; I58-I137 HydrophobicContact CB-CG2 4.39Å; I58-I137 HydrophobicContact CD1-CD1 4.43Å; I58-I137 HydrophobicContact CD1-CG1 4.39Å; I58-I137 WeakPolarHBondContact O-CA 3.35Å; I58-F138 PolarHBondContact O-N 2.94Å
59R92.4Very high95.7Very high8 Ų849.1 Ų49.13%0.0325%0.247CC..EExtended strand (participates in β ladder)trans-143.5124174.2-173.5172.1-66.5-97.6-8.1109.5D61 T62 M77 D136 F138R59-D61 VanDerWaalsContact C-N 3.29Å; R59-D61 PolarHBondContact O-N 3.36Å; R59-T62 PolarHBondContact N-O 3.12Å; R59-T62 PolarHBondContact O-N 3.14Å; R59-M77 WeakPolarHBondContact CD-SD 3.25Å; R59-M77 HydrophobicContact CG-SD 4.43Å; R59-D136 IonicContact NH2-OD2 3.43Å; R59-D136 PolarHBondContact NH2-OD2 2.82Å; R59-F138 HydrophobicContact CG-CB 4.3Å; R59-F138 HydrophobicContact CG-CD1 3.97Å; R59-F138 HydrophobicContact CG-CG 4.48Å; R59-F138 VanDerWaalsContact CZ-CB 3.47Å; R59-F138 VanDerWaalsContact CZ-CG 3.43Å; R59-F138 VanDerWaalsContact NH1-CD1 3.3Å; R59-F138 VanDerWaalsContact NH1-CD2 3.34Å; R59-F138 VanDerWaalsContact NH2-CB 3.35Å
60E81.9Confident95.8Very high86 Ų8645.9 Ų45.940%0.40224%0.235SC..THydrogen-bonded Turntrans50.952.8-175.2-60.2173.6151.600110.7T62E60-T62 PolarHBondContact O-N 3.19Å; E60-T62 PolarHBondContact O-OG1 3.27Å
61D83.1Confident95.7Very high82 Ų8248.3 Ų48.344%0.43925%0.247SC..THydrogen-bonded Turntrans54.814.8178.3-63.1-65.6000116.2R59 P63 R139R59-D61 VanDerWaalsContact C-N 3.29Å; R59-D61 PolarHBondContact O-N 3.36Å; D61-P63 VanDerWaalsContact O-CD 3.27Å; D61-P63 WeakPolarHBondContact O-CD 3.48Å; D61-R139 VanDerWaalsContact CG-NH1 3.28Å; D61-R139 IonicContact OD1-CZ 3.84Å; D61-R139 IonicContact OD1-NH1 2.76Å; D61-R139 PolarHBondContact OD1-NH1 3.5Å; D61-R139 IonicContact OD1-NH2 2.79Å; D61-R139 PolarHBondContact OD1-NH2 3.2Å; D61-R139 IonicContact OD2-NH1 3.36Å; D61-R139 PolarHBondContact OD2-NH1 2.93Å
62T91.4Very high95.6Very high53 Ų5353 Ų5333%0.32527%0.268SS..EExtended strand (participates in β ladder)trans-96.2107.1169.9-45.30000110R59 E60 V64 K73R59-T62 PolarHBondContact N-O 3.12Å; R59-T62 PolarHBondContact O-N 3.14Å; E60-T62 PolarHBondContact O-N 3.19Å; E60-T62 PolarHBondContact O-OG1 3.27Å; T62-V64 HydrophobicContact CG2-CG1 4.32Å; T62-K73 PolarHBondContact OG1-NZ 2.99Å
63P96Very high95.5Very high46 Ų4652.1 Ų52.130%0.29927%0.265SS..EExtended strand (participates in β ladder)trans-76.3134.2169.130.9-33.4000111M57 I58 D61M57-P63 CarbonylContact O-C 3.55Å; M57-P63 WeakPolarHBondContact O-CA 3.36Å; I58-P63 HydrophobicContact CG1-CB 4.25Å; D61-P63 VanDerWaalsContact O-CD 3.27Å; D61-P63 WeakPolarHBondContact O-CD 3.48Å
64V97.2Very high95.3Very high20 Ų2045.6 Ų45.612%0.12123%0.23CC..EExtended strand (participates in β ladder)trans-134.2143.4170.1-62.40000109.9S56 M57 T62 M69 I70 K73S56-V64 WeakPolarHBondContact CA-O 3.5Å; M57-V64 HydrophobicContact CB-CG2 3.86Å; M57-V64 HydrophobicContact CG-CG2 4.49Å; M57-V64 PolarHBondContact N-O 3.13Å; M57-V64 PolarHBondContact O-N 3.08Å; T62-V64 HydrophobicContact CG2-CG1 4.32Å; V64-M69 HydrophobicContact CB-CB 4.14Å; V64-I70 HydrophobicContact CG2-CG1 3.89Å; V64-K73 HydrophobicContact CG1-CB 4.41Å; V64-K73 HydrophobicContact CG2-CB 4.29Å
65C97.8Very high95.1Very high25 Ų2546.6 Ų46.617%0.16923%0.233CC..EExtended strand (participates in β ladder)trans-124.8144.9179.3-60.20000111.2S55 M69 C174S55-C65 CarbonylContact O-C 3.59Å; S55-C65 WeakPolarHBondContact O-CA 3.33Å; C65-M69 WeakPolarHBondContact O-CB 3.49Å; C65-M69 WeakPolarHBondContact O-CG 3.46Å; C65-C174 HydrophobicContact CB-CB 4.15Å; C65-C174 WeakPolarHBondContact CB-SG 3.26Å; C65-C174 WeakPolarHBondContact SG-CB 3.41Å; C65-C174 CovalentContact SG-SG 2.04Å; C65-C174 PolarHBondContact SG-SG 3.47Å
66G97.7Very high94.8Very high10 Ų1050.8 Ų50.810%0.10326%0.263CS..SBendtrans81.7145178.400000114.1D53 S55 R68 M69 I70D53-G66 WeakPolarHBondContact O-CA 3.38Å; S55-G66 PolarHBondContact O-N 2.93Å; G66-R68 PolarHBondContact O-N 3.1Å; G66-M69 PolarHBondContact O-N 2.87Å; G66-M69 VanDerWaalsContact O-N 3.1Å; G66-I70 WeakPolarHBondContact O-CG1 3.42Å; G66-I70 PolarHBondContact O-N 3.03Å
67Q98.1Very high94.4Very high61 Ų6151.3 Ų51.329%0.28526%0.262SS..Hα-helixtrans-50.6-39.3-171.8-163-168.477.800113.5H48 Y51 K52 H71H48-Q67 HydrophobicContact CB-CG 4.46Å; H48-Q67 VanDerWaalsContact O-CG 3.25Å; H48-Q67 WeakPolarHBondContact O-CG 3.31Å; Y51-Q67 PolarHBondContact O-NE2 2.82Å; K52-Q67 PolarHBondContact O-N 2.84Å; Q67-H71 WeakPolarHBondContact O-CB 3.22Å; Q67-H71 PolarHBondContact O-N 2.86Å
68R97.8Very high93.8Very high150 Ų15055.7 Ų55.757%0.56629%0.286SS*.Hα-helixtrans-67.1-47.9179.8-174.2-178.860.877.91.6113.1G66 I70 H71 E72G66-R68 PolarHBondContact O-N 3.1Å; R68-I70 VanDerWaalsContact C-N 3.3Å; R68-I70 PolarHBondContact O-N 2.91Å; R68-H71 WeakPolarHBondContact O-CB 3.48Å; R68-H71 PolarHBondContact O-N 2.91Å; R68-E72 WeakPolarHBondContact CG-OE1 3.48Å; R68-E72 IonicContact CZ-OE1 3.71Å; R68-E72 VanDerWaalsContact NH1-CD 3.3Å; R68-E72 IonicContact NH1-OE1 3.17Å; R68-E72 PolarHBondContact NH1-OE1 2.95Å; R68-E72 IonicContact NH1-OE2 3.73Å; R68-E72 PolarHBondContact NH1-OE2 3.41Å; R68-E72 VanDerWaalsContact NH1-OE2 3.17Å; R68-E72 WeakPolarHBondContact O-CG 3.31Å; R68-E72 PolarHBondContact O-N 2.95Å
69M97.3Very high93.2Very high77 Ų7753.5 Ų53.538%0.37928%0.275SS..Hα-helixtrans-68.6-35.1179.4-58.4-170.1-169.100110.9V64 C65 G66 E72 K73V64-M69 HydrophobicContact CB-CB 4.14Å; C65-M69 WeakPolarHBondContact O-CB 3.49Å; C65-M69 WeakPolarHBondContact O-CG 3.46Å; G66-M69 PolarHBondContact O-N 2.87Å; G66-M69 VanDerWaalsContact O-N 3.1Å; M69-E72 PolarHBondContact O-N 2.86Å; M69-K73 WeakPolarHBondContact O-CB 3.05Å; M69-K73 PolarHBondContact O-N 3.3Å
70I97.8Very high92.6Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-60.4-45.9170.6-69.5168.6000110.2Y51 M57 V64 G66 R68 E72 K73 I74Y51-I70 HydrophobicContact CD1-CD1 3.74Å; Y51-I70 HydrophobicContact CD1-CG2 4.3Å; Y51-I70 HydrophobicContact CD2-CG2 3.83Å; Y51-I70 HydrophobicContact CE1-CD1 4.44Å; Y51-I70 HydrophobicContact CE2-CG2 4.15Å; Y51-I70 HydrophobicContact CG-CD1 4.01Å; Y51-I70 HydrophobicContact CG-CG2 3.92Å; M57-I70 HydrophobicContact CB-CD1 4.3Å; M57-I70 HydrophobicContact CB-CG1 4.02Å; M57-I70 HydrophobicContact CE-CG2 3.66Å; M57-I70 HydrophobicContact SD-CG2 4.43Å; V64-I70 HydrophobicContact CG2-CG1 3.89Å; G66-I70 WeakPolarHBondContact O-CG1 3.42Å; G66-I70 PolarHBondContact O-N 3.03Å; R68-I70 VanDerWaalsContact C-N 3.3Å; R68-I70 PolarHBondContact O-N 2.91Å; I70-E72 PolarHBondContact O-N 3.47Å; I70-K73 PolarHBondContact O-N 2.73Å; I70-I74 HydrophobicContact CG2-CD1 3.57Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 WeakPolarHBondContact O-CB 3.47Å; I70-I74 WeakPolarHBondContact O-CD1 3.32Å; I70-I74 WeakPolarHBondContact O-CG1 3.34Å; I70-I74 PolarHBondContact O-N 2.9Å
71H97Very high92.7Very high57 Ų5760.2 Ų60.226%0.26431%0.31SS..Hα-helixtrans-59-47.9175.1-174.342.2000112.2H48 Q67 R68 I74 M75H48-H71 HydrophobicContact CB-CB 3.57Å; H48-H71 AromaticContact CG-CG 3.77Å; H48-H71 AromaticContact CG-ND1 3.62Å; H48-H71 AromaticContact ND1-CE1 3.66Å; H48-H71 AromaticContact ND1-CG 3.81Å; H48-H71 AromaticContact ND1-ND1 3.26Å; H48-H71 PolarHBondContact ND1-ND1 2.61Å; Q67-H71 WeakPolarHBondContact O-CB 3.22Å; Q67-H71 PolarHBondContact O-N 2.86Å; R68-H71 WeakPolarHBondContact O-CB 3.48Å; R68-H71 PolarHBondContact O-N 2.91Å; H71-I74 PolarHBondContact O-N 2.87Å; H71-I74 VanDerWaalsContact O-N 3.16Å; H71-M75 VanDerWaalsContact CE1-CG 3.41Å; H71-M75 WeakPolarHBondContact CE1-CG 3.36Å; H71-M75 VanDerWaalsContact CE1-SD 3.59Å; H71-M75 WeakPolarHBondContact O-CG 3.4Å; H71-M75 PolarHBondContact O-N 3.39Å
72E96.2Very high93Very high98 Ų9856.3 Ų56.346%0.45829%0.289SS..Hα-helixtrans-59.7-46.2178.3-73.3160.9-166.300111.6R68 M69 I70 I74 M75 S76R68-E72 WeakPolarHBondContact CG-OE1 3.48Å; R68-E72 IonicContact CZ-OE1 3.71Å; R68-E72 VanDerWaalsContact NH1-CD 3.3Å; R68-E72 IonicContact NH1-OE1 3.17Å; R68-E72 PolarHBondContact NH1-OE1 2.95Å; R68-E72 IonicContact NH1-OE2 3.73Å; R68-E72 PolarHBondContact NH1-OE2 3.41Å; R68-E72 VanDerWaalsContact NH1-OE2 3.17Å; R68-E72 WeakPolarHBondContact O-CG 3.31Å; R68-E72 PolarHBondContact O-N 2.95Å; M69-E72 PolarHBondContact O-N 2.86Å; I70-E72 PolarHBondContact O-N 3.47Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 2.84Å; E72-M75 PolarHBondContact O-N 3.29Å; E72-S76 PolarHBondContact O-N 2.98Å
73K95.2Very high93.1Very high36 Ų3656.2 Ų56.216%0.15729%0.285CS..Hα-helixtrans-60.7-41.3173.8-177.168.1175.9-176.40111.3T62 V64 M69 I70 S76 M77T62-K73 PolarHBondContact OG1-NZ 2.99Å; V64-K73 HydrophobicContact CG1-CB 4.41Å; V64-K73 HydrophobicContact CG2-CB 4.29Å; M69-K73 WeakPolarHBondContact O-CB 3.05Å; M69-K73 PolarHBondContact O-N 3.3Å; I70-K73 PolarHBondContact O-N 2.73Å; K73-S76 PolarHBondContact O-N 2.91Å; K73-S76 PolarHBondContact O-OG 2.85Å; K73-M77 PolarHBondContact O-N 2.79Å
74I94.3Very high93Very high1 Ų154.7 Ų54.71%0.00527%0.274CS..Hα-helixtrans-66.5-39.9176.9-63.7159.8000112.1I47 M57 I70 H71 E72 S76 M77 L79I47-I74 HydrophobicContact CB-CD1 3.97Å; I47-I74 HydrophobicContact CB-CG2 4.31Å; I47-I74 HydrophobicContact CD1-CG2 3.86Å; I47-I74 HydrophobicContact CG2-CD1 3.69Å; M57-I74 HydrophobicContact CE-CD1 4.17Å; M57-I74 HydrophobicContact CE-CG1 4.38Å; I70-I74 HydrophobicContact CG2-CD1 3.57Å; I70-I74 HydrophobicContact CG2-CG1 4.42Å; I70-I74 WeakPolarHBondContact O-CB 3.47Å; I70-I74 WeakPolarHBondContact O-CD1 3.32Å; I70-I74 WeakPolarHBondContact O-CG1 3.34Å; I70-I74 PolarHBondContact O-N 2.9Å; H71-I74 PolarHBondContact O-N 2.87Å; H71-I74 VanDerWaalsContact O-N 3.16Å; E72-I74 VanDerWaalsContact C-N 3.34Å; E72-I74 PolarHBondContact O-N 2.84Å; I74-S76 VanDerWaalsContact C-N 3.29Å; I74-S76 PolarHBondContact O-N 2.87Å; I74-M77 HydrophobicContact CB-CE 4.23Å; I74-M77 HydrophobicContact CG1-CE 3.94Å; I74-M77 PolarHBondContact O-N 3.07Å; I74-M77 VanDerWaalsContact O-N 3.12Å; I74-L79 HydrophobicContact CG2-CD1 4.12Å
75M93.5Very high92.9Very high88 Ų8854.8 Ų54.843%0.43328%0.277SS..Hα-helixtrans-71.2-22.8177.1-63.1-60.786.600113.2P44 S45 H71 E72 M77P44-M75 HydrophobicContact CB-CE 4.31Å; S45-M75 VanDerWaalsContact CA-CE 3.46Å; H71-M75 VanDerWaalsContact CE1-CG 3.41Å; H71-M75 WeakPolarHBondContact CE1-CG 3.36Å; H71-M75 VanDerWaalsContact CE1-SD 3.59Å; H71-M75 WeakPolarHBondContact O-CG 3.4Å; H71-M75 PolarHBondContact O-N 3.39Å; E72-M75 PolarHBondContact O-N 3.29Å; M75-M77 VanDerWaalsContact C-N 3.28Å
76S92.4Very high92.9Very high88 Ų8853.8 Ų53.862%0.61527%0.27SS*.Hα-helixtrans-73.9-15.3169.273.20000114.1E72 K73 I74E72-S76 PolarHBondContact O-N 2.98Å; K73-S76 PolarHBondContact O-N 2.91Å; K73-S76 PolarHBondContact O-OG 2.85Å; I74-S76 VanDerWaalsContact C-N 3.29Å; I74-S76 PolarHBondContact O-N 2.87Å
77M89.2Confident92.8Very high38 Ų3858 Ų5819%0.18729%0.29CS..SBendtrans-93132.8177.8-68.2-172.1-77.400111.4R59 K73 I74 M75 L79R59-M77 WeakPolarHBondContact CD-SD 3.25Å; R59-M77 HydrophobicContact CG-SD 4.43Å; K73-M77 PolarHBondContact O-N 2.79Å; I74-M77 HydrophobicContact CB-CE 4.23Å; I74-M77 HydrophobicContact CG1-CE 3.94Å; I74-M77 PolarHBondContact O-N 3.07Å; I74-M77 VanDerWaalsContact O-N 3.12Å; M75-M77 VanDerWaalsContact C-N 3.28Å; M77-L79 HydrophobicContact CB-CD1 4.28Å; M77-L79 HydrophobicContact CB-CD2 4Å; M77-L79 HydrophobicContact CB-CG 3.73Å; M77-L79 HydrophobicContact CE-CD1 4Å; M77-L79 PolarHBondContact O-N 3.03Å; M77-L79 HydrophobicContact SD-CD2 4.22Å
78N85.4Confident92.8Very high93 Ų9359 Ų5950%0.49729%0.293SS..  trans-81.860.5177-162.128.9000112.2Q80 I109 V110N78-Q80 PolarHBondContact O-N 3.32Å; N78-I109 WeakPolarHBondContact O-CG2 3.3Å; N78-V110 VanDerWaalsContact ND2-CG2 3.33Å; N78-V110 WeakPolarHBondContact ND2-CG2 3.38Å
79L86.1Confident92.8Very high7 Ų752 Ų524%0.03727%0.267CS..  trans-72.512.9-177.4-57.2178.4000114.2M40 P44 I47 I74 M77 I109M40-L79 HydrophobicContact CG-CB 4.4Å; M40-L79 HydrophobicContact CG-CD1 3.92Å; M40-L79 HydrophobicContact SD-CD1 4.09Å; P44-L79 HydrophobicContact CB-CB 4.31Å; P44-L79 HydrophobicContact CG-CB 4.3Å; I47-L79 HydrophobicContact CD1-CD1 3.89Å; I74-L79 HydrophobicContact CG2-CD1 4.12Å; M77-L79 HydrophobicContact CB-CD1 4.28Å; M77-L79 HydrophobicContact CB-CD2 4Å; M77-L79 HydrophobicContact CB-CG 3.73Å; M77-L79 HydrophobicContact CE-CD1 4Å; M77-L79 PolarHBondContact O-N 3.03Å; M77-L79 HydrophobicContact SD-CD2 4.22Å; L79-I109 HydrophobicContact CD2-CD1 4.13Å
80Q80Confident92.9Very high123 Ų12351.2 Ų51.258%0.57526%0.264SS*.THydrogen-bonded Turntrans-68.1142.3177.8-61.7-174.55.800110.2N78 S82N78-Q80 PolarHBondContact O-N 3.32Å; Q80-S82 PolarHBondContact O-N 3.08Å
81D83.1Confident92.9Very high111 Ų11152 Ų5259%0.59427%0.27SS*.THydrogen-bonded Turntrans52.825.7-179.3-57.8-39.2000115.3Q83D81-Q83 PolarHBondContact O-N 2.98Å
82S89.8Confident92.9Very high0 Ų052.4 Ų52.40%028%0.275CS..  trans-61129.8177.667.90000111.8K41 Q80 S108K41-S82 WeakPolarHBondContact CD-O 3.35Å; K41-S82 WeakPolarHBondContact CG-O 3.47Å; Q80-S82 PolarHBondContact O-N 3.08Å; S82-S108 CarbonylContact C-O 3.57Å; S82-S108 VanDerWaalsContact CA-O 3.28Å; S82-S108 WeakPolarHBondContact CA-O 3.35Å
83Q93.1Very high92.9Very high52 Ų5251.1 Ų51.124%0.24327%0.266CS..EExtended strand (participates in β ladder)trans-107.5129.3173.7-53.1-174.62500108.9D81 I107 S108 F114D81-Q83 PolarHBondContact O-N 2.98Å; Q83-I107 CarbonylContact O-C 3.54Å; Q83-I107 VanDerWaalsContact O-CA 3.31Å; Q83-I107 WeakPolarHBondContact O-CA 3.28Å; Q83-S108 PolarHBondContact N-O 2.95Å; Q83-S108 PolarHBondContact O-N 2.92Å; Q83-F114 HydrophobicContact CB-CE1 3.97Å; Q83-F114 HydrophobicContact CB-CZ 3.76Å
84I94.3Very high92.9Very high13 Ų1350.6 Ų50.67%0.06727%0.268CS..EExtended strand (participates in β ladder)trans-131.2126-170.5-55.1128.3000109Y37 M40 I86 E106 I107 F117Y37-I84 HydrophobicContact CD1-CD1 4.03Å; Y37-I84 HydrophobicContact CD1-CG1 4.37Å; Y37-I84 HydrophobicContact CD1-CG2 4.15Å; Y37-I84 HydrophobicContact CE1-CG2 4.4Å; Y37-I84 HydrophobicContact CG-CD1 4.36Å; Y37-I84 HydrophobicContact CG-CG2 4.23Å; M40-I84 HydrophobicContact CE-CD1 3.43Å; M40-I84 VanDerWaalsContact CE-CD1 3.43Å; M40-I84 HydrophobicContact CE-CG1 3.84Å; I84-I86 HydrophobicContact CG2-CD1 3.53Å; I84-I86 HydrophobicContact CG2-CG1 4.34Å; I84-E106 WeakPolarHBondContact CA-O 3.27Å; I84-I107 HydrophobicContact CG1-CD1 3.95Å; I84-I107 HydrophobicContact CG1-CG1 3.86Å; I84-F117 HydrophobicContact CG2-CE1 4.28Å; I84-F117 HydrophobicContact CG2-CZ 4.27Å
85A95.3Very high92.8Very high22 Ų2257.8 Ų57.818%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-113.6114.517000000108.8G105 E106A85-G105 CarbonylContact O-C 3.53Å; A85-G105 WeakPolarHBondContact O-CA 3.42Å; A85-E106 PolarHBondContact N-O 3.32Å; A85-E106 PolarHBondContact O-N 3.04Å
86I96.8Very high92.6Very high5 Ų555.8 Ų55.83%0.02631%0.308CS..EExtended strand (participates in β ladder)trans-85123.3174.4-51.8-54.2000108.2V33 Y37 I84 V103 F117 I200V33-I86 HydrophobicContact CG1-CG1 4.21Å; Y37-I86 HydrophobicContact CD2-CD1 3.8Å; Y37-I86 HydrophobicContact CD2-CG1 4.34Å; Y37-I86 HydrophobicContact CE2-CD1 3.49Å; Y37-I86 VanDerWaalsContact CE2-CD1 3.49Å; Y37-I86 HydrophobicContact CE2-CG1 4.37Å; I84-I86 HydrophobicContact CG2-CD1 3.53Å; I84-I86 HydrophobicContact CG2-CG1 4.34Å; I86-V103 HydrophobicContact CD1-CG1 3.82Å; I86-V103 HydrophobicContact CG2-CG1 3.87Å; I86-F117 HydrophobicContact CD1-CZ 3.98Å; I86-I200 HydrophobicContact CB-CD1 3.99Å; I86-I200 HydrophobicContact CB-CG2 4.05Å; I86-I200 HydrophobicContact CG2-CD1 3.78Å
87L97.1Very high92.6Very high99 Ų9954.5 Ų54.552%0.51829%0.294SS..EExtended strand (participates in β ladder)trans-101-36.7-175.3-63175.8000112A104 E106L87-A104 PolarHBondContact N-O 2.8Å; L87-E106 HydrophobicContact CD1-CG 4.07Å
88K97.6Very high93Very high80 Ų8052.9 Ų52.935%0.34829%0.287SS..EExtended strand (participates in β ladder)trans-146142.8175.4-175.4159.3-179.6139.80111.2D90 A104 E193K88-D90 VanDerWaalsContact CE-CG 3.49Å; K88-D90 WeakPolarHBondContact CE-OD1 3.48Å; K88-D90 WeakPolarHBondContact CE-OD2 3.37Å; K88-D90 IonicContact NZ-OD1 3.33Å; K88-A104 HydrophobicContact CB-CB 4.38Å; K88-A104 PolarHBondContact N-O 2.98Å; K88-A104 PolarHBondContact O-N 3.47Å; K88-E193 IonicContact NZ-OE1 2.99Å; K88-E193 PolarHBondContact NZ-OE1 3.36Å
89L98.2Very high93.6Very high3 Ų348.4 Ų48.42%0.01626%0.263CS..EExtended strand (participates in β ladder)trans-130.7119.5174.7178.262.3000108.9L26 V33 I101 V103 Y196L26-L89 HydrophobicContact CD1-CD2 4.46Å; L26-L89 HydrophobicContact CD1-CG 4.28Å; V33-L89 HydrophobicContact CG2-CD1 3.86Å; L89-I101 HydrophobicContact CD1-CG2 3.53Å; L89-V103 HydrophobicContact CD1-CG2 4Å; L89-Y196 HydrophobicContact CB-CD2 4.49Å; L89-Y196 HydrophobicContact CB-CE2 4.3Å
90D98.2Very high94.2Very high61 Ų6151.1 Ų51.133%0.32628%0.277SS..EExtended strand (participates in β ladder)trans-117.7141172.4-53.9-67.3000108.5K88 H102K88-D90 VanDerWaalsContact CE-CG 3.49Å; K88-D90 WeakPolarHBondContact CE-OD1 3.48Å; K88-D90 WeakPolarHBondContact CE-OD2 3.37Å; K88-D90 IonicContact NZ-OD1 3.33Å; D90-H102 HydrophobicContact CB-CB 4.39Å; D90-H102 PolarHBondContact N-O 3.49Å; D90-H102 PolarHBondContact O-N 2.93Å; D90-H102 IonicContact OD2-ND1 2.8Å; D90-H102 PolarHBondContact OD2-ND1 3.09Å
91A98Very high95.1Very high16 Ų1645.2 Ų45.213%0.13225%0.249CC..EExtended strand (participates in β ladder)trans-143.6134.5179.600000111.5I25 L26 A29 L100I25-A91 HydrophobicContact CG2-CB 4.11Å; L26-A91 HydrophobicContact CD1-CB 4.12Å; A29-A91 HydrophobicContact CB-CB 3.45Å; A29-A91 VanDerWaalsContact CB-CB 3.45Å; A91-L100 CarbonylContact C-O 3.58Å; A91-L100 WeakPolarHBondContact CA-O 3.23Å
92L97.3Very high95.8Very high67 Ų6742.9 Ų42.935%0.35124%0.235SC..EExtended strand (participates in β ladder)trans-132.1147.3-175.2-51-177.9000109.8A94 L100 W188L92-A94 PolarHBondContact O-N 2.99Å; L92-L100 HydrophobicContact CD1-CD2 4.4Å; L92-L100 PolarHBondContact N-O 3.32Å; L92-L100 PolarHBondContact O-N 2.79Å; L92-W188 HydrophobicContact CB-CH2 3.51Å; L92-W188 HydrophobicContact CB-CZ2 4.03Å; L92-W188 HydrophobicContact CB-CZ3 4.22Å; L92-W188 HydrophobicContact CD1-CH2 4.39Å; L92-W188 HydrophobicContact CD1-CZ2 4.38Å; L92-W188 HydrophobicContact CD2-CE3 3.82Å; L92-W188 HydrophobicContact CD2-CH2 3.49Å; L92-W188 VanDerWaalsContact CD2-CH2 3.49Å; L92-W188 HydrophobicContact CD2-CZ2 4.18Å; L92-W188 HydrophobicContact CD2-CZ3 3.28Å; L92-W188 HydrophobicContact CG-CH2 3.94Å; L92-W188 HydrophobicContact CG-CZ2 4.41Å; L92-W188 HydrophobicContact CG-CZ3 4.24Å
93R96.7Very high96.2Very high71 Ų7142.9 Ų42.927%0.26824%0.235SC..EExtended strand (participates in β ladder)trans-65.9129165.6-158.3170.561.1-163.1-3.5109.4V17 V18 I25 H186V17-R93 HydrophobicContact CG1-CG 3.77Å; V17-R93 VanDerWaalsContact O-CD 3.3Å; V17-R93 WeakPolarHBondContact O-CD 3.43Å; V18-R93 PolarHBondContact O-NH1 3.14Å; I25-R93 HydrophobicContact CD1-CB 3.74Å; I25-R93 HydrophobicContact CD1-CG 4.24Å; R93-H186 PolarHBondContact NH2-CD2 3.49Å; R93-H186 PolarHBondContact NH2-CE1 3.4Å; R93-H186 PolarHBondContact NH2-NE2 3.5Å
94A94.8Very high96.4Very high24 Ų2441.3 Ų41.320%0.19823%0.23CC..EExtended strand (participates in β ladder)trans-100.7-177.6172.500000110.6L92 G96 S98 L100L92-A94 PolarHBondContact O-N 2.99Å; A94-G96 PolarHBondContact O-N 2.95Å; A94-S98 WeakPolarHBondContact CA-O 3.34Å; A94-S98 PolarHBondContact N-O 3.41Å; A94-L100 HydrophobicContact CB-CB 4.24Å
95N91.2Very high96.6Very high152 Ų15240.7 Ų40.781%0.81323%0.228SC*.THydrogen-bonded Turntrans-65.5131.3-174.5-64.85.6000112.4
96G90Very high96.7Very high46 Ų4641.8 Ų41.847%0.47423%0.229SC..THydrogen-bonded Turntrans67.6-142.4-176.400000112.3A94 S98A94-G96 PolarHBondContact O-N 2.95Å; G96-S98 PolarHBondContact O-N 2.86Å
97N93.3Very high96.6Very high61 Ų6141.8 Ų41.833%0.32623%0.229SC..THydrogen-bonded Turntrans-85.762.2-177.6-52.14.3000110.5V18 R124 E125V18-N97 VanDerWaalsContact CG2-OD1 3.28Å; V18-N97 WeakPolarHBondContact CG2-OD1 3.07Å; N97-R124 WeakPolarHBondContact O-CD 3.15Å; N97-E125 HydrophobicContact CB-CB 3.83Å; N97-E125 PolarHBondContact O-N 3.36Å
98S96.8Very high96.4Very high4 Ų437.2 Ų37.23%0.02821%0.205CC..EExtended strand (participates in β ladder)trans-144.5149.6-171.7-59.20000113.2V17 A94 G96 L123 R124V17-S98 WeakPolarHBondContact CG1-O 3.2Å; A94-S98 WeakPolarHBondContact CA-O 3.34Å; A94-S98 PolarHBondContact N-O 3.41Å; G96-S98 PolarHBondContact O-N 2.86Å; S98-L123 CarbonylContact C-O 3.53Å; S98-L123 WeakPolarHBondContact CA-O 3.39Å; S98-L123 VanDerWaalsContact CB-O 3.26Å; S98-L123 WeakPolarHBondContact CB-O 3.32Å; S98-R124 WeakPolarHBondContact OG-CD 3.31Å; S98-R124 PolarHBondContact OG-NH1 3.37Å
99V98Very high96.1Very high0 Ų034.9 Ų34.90%020%0.196CC..EExtended strand (participates in β ladder)trans-124.4124.5-178.7176.80000109V17 I25 L28 I101 I122 L123V17-V99 HydrophobicContact CG1-CG2 3.74Å; V17-V99 HydrophobicContact CG2-CG2 3.96Å; I25-V99 HydrophobicContact CG2-CG1 3.63Å; I25-V99 HydrophobicContact CG2-CG2 4.22Å; L28-V99 HydrophobicContact CD2-CG2 4.21Å; V99-I101 HydrophobicContact CG1-CG1 3.9Å; V99-I122 CarbonylContact O-C 3.59Å; V99-I122 WeakPolarHBondContact O-CA 3.36Å; V99-L123 HydrophobicContact CB-CB 4.44Å; V99-L123 PolarHBondContact N-O 3.1Å; V99-L123 PolarHBondContact O-N 2.81Å
100L98.5Very high95.6Very high63 Ų6337.9 Ų37.933%0.3321%0.214SC..EExtended strand (participates in β ladder)trans-85.4127.6168.2174.665.7000108.4A91 L92 A94 F121 I122A91-L100 CarbonylContact C-O 3.58Å; A91-L100 WeakPolarHBondContact CA-O 3.23Å; L92-L100 HydrophobicContact CD1-CD2 4.4Å; L92-L100 PolarHBondContact N-O 3.32Å; L92-L100 PolarHBondContact O-N 2.79Å; A94-L100 HydrophobicContact CB-CB 4.24Å; L100-F121 WeakPolarHBondContact CA-O 3.13Å; L100-I122 HydrophobicContact CD1-CG1 4Å
101I98.6Very high94.7Very high0 Ų040.6 Ų40.60%023%0.229CC..EExtended strand (participates in β ladder)trans-120.1131.2176.3-53.6176.3000107.7A29 F32 V33 L89 V99 V103 C120 F121 L123A29-I101 HydrophobicContact CB-CD1 3.67Å; A29-I101 HydrophobicContact CB-CG1 3.79Å; A29-I101 HydrophobicContact CB-CG2 4.15Å; F32-I101 HydrophobicContact CD1-CD1 3.65Å; F32-I101 HydrophobicContact CE1-CD1 4.3Å; F32-I101 HydrophobicContact CG-CD1 4.35Å; V33-I101 HydrophobicContact CG2-CG2 4.26Å; L89-I101 HydrophobicContact CD1-CG2 3.53Å; V99-I101 HydrophobicContact CG1-CG1 3.9Å; I101-V103 HydrophobicContact CG2-CG2 3.92Å; I101-C120 CarbonylContact O-C 3.49Å; I101-C120 VanDerWaalsContact O-CA 3.3Å; I101-C120 WeakPolarHBondContact O-CA 3.32Å; I101-F121 HydrophobicContact CB-CB 4.25Å; I101-F121 HydrophobicContact CB-CD2 4.49Å; I101-F121 PolarHBondContact N-O 2.86Å; I101-F121 PolarHBondContact O-N 2.78Å; I101-L123 HydrophobicContact CD1-CD1 3.63Å; I101-L123 HydrophobicContact CD1-CG 3.78Å
102H98.5Very high94.3Very high62 Ų6245.7 Ų45.729%0.28725%0.25SS..EExtended strand (participates in β ladder)trans-116.9126.9169.7172.6-110.5000109.5D90D90-H102 HydrophobicContact CB-CB 4.39Å; D90-H102 PolarHBondContact N-O 3.49Å; D90-H102 PolarHBondContact O-N 2.93Å; D90-H102 IonicContact OD2-ND1 2.8Å; D90-H102 PolarHBondContact OD2-ND1 3.09Å
103V98.5Very high94.1Very high0 Ų050.5 Ų50.50%027%0.271CS..EExtended strand (participates in β ladder)trans-119.5128-178.4-169.90000108.5V33 Y37 I86 L89 I101 F117 T118 Q119 F121V33-V103 HydrophobicContact CG2-CG2 3.78Å; Y37-V103 HydrophobicContact CE2-CG1 4.22Å; I86-V103 HydrophobicContact CD1-CG1 3.82Å; I86-V103 HydrophobicContact CG2-CG1 3.87Å; L89-V103 HydrophobicContact CD1-CG2 4Å; I101-V103 HydrophobicContact CG2-CG2 3.92Å; V103-F117 HydrophobicContact CG1-CE2 4.27Å; V103-T118 CarbonylContact O-C 3.57Å; V103-T118 VanDerWaalsContact O-CA 3.29Å; V103-T118 WeakPolarHBondContact O-CA 3.48Å; V103-Q119 HydrophobicContact CB-CB 4.46Å; V103-Q119 PolarHBondContact N-O 2.6Å; V103-Q119 PolarHBondContact O-N 2.74Å; V103-F121 HydrophobicContact CG2-CD2 4.17Å; V103-F121 HydrophobicContact CG2-CE2 3.96Å
104A97.9Very high93.9Very high18 Ų1851.3 Ų51.315%0.14928%0.276CS..EExtended strand (participates in β ladder)trans-117.8135.3167.300000109.6L87 K88 T118L87-A104 PolarHBondContact N-O 2.8Å; K88-A104 HydrophobicContact CB-CB 4.38Å; K88-A104 PolarHBondContact N-O 2.98Å; K88-A104 PolarHBondContact O-N 3.47Å; A104-T118 HydrophobicContact CB-CG2 4.33Å
105G97.6Very high93.9Very high1 Ų153 Ų531%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-166-173.4-174.600000113.8A85 R116 F117A85-G105 CarbonylContact O-C 3.53Å; A85-G105 WeakPolarHBondContact O-CA 3.42Å; G105-R116 CarbonylContact O-C 3.55Å; G105-R116 WeakPolarHBondContact O-CA 3.28Å; G105-F117 VanDerWaalsContact C-CD1 3.46Å; G105-F117 VanDerWaalsContact C-CE1 3.41Å; G105-F117 PolarHBondContact N-O 3.19Å; G105-F117 VanDerWaalsContact N-O 3.13Å; G105-F117 WeakPolarHBondContact O-CD1 3.33Å; G105-F117 PolarHBondContact O-N 3.13Å
106E96.8Very high94.2Very high44 Ų4452.4 Ų52.421%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-123.1137.2173.5-76173.117100108.9I84 A85 L87 F114 R115 R116I84-E106 WeakPolarHBondContact CA-O 3.27Å; A85-E106 PolarHBondContact N-O 3.32Å; A85-E106 PolarHBondContact O-N 3.04Å; L87-E106 HydrophobicContact CD1-CG 4.07Å; E106-F114 HydrophobicContact CB-CB 4.38Å; E106-F114 HydrophobicContact CB-CD1 4.1Å; E106-R115 WeakPolarHBondContact CA-O 3.4Å; E106-R116 HydrophobicContact CG-CB 4.37Å; E106-R116 HydrophobicContact CG-CG 3.48Å; E106-R116 VanDerWaalsContact CG-CG 3.48Å; E106-R116 WeakPolarHBondContact OE1-CG 3.32Å; E106-R116 IonicContact OE1-CZ 2.67Å; E106-R116 IonicContact OE1-NE 3.2Å; E106-R116 PolarHBondContact OE1-NE 2.83Å; E106-R116 IonicContact OE1-NH2 2.69Å; E106-R116 PolarHBondContact OE1-NH2 2.84Å
107I95.1Very high94.4Very high5 Ų550.2 Ų50.23%0.02624%0.241CC..EExtended strand (participates in β ladder)trans-131.8131.2178.4-172174.4000110.4M40 Q83 I84 I109 R115 F117 F138 Y140M40-I107 HydrophobicContact CE-CD1 3.58Å; Q83-I107 CarbonylContact O-C 3.54Å; Q83-I107 VanDerWaalsContact O-CA 3.31Å; Q83-I107 WeakPolarHBondContact O-CA 3.28Å; I84-I107 HydrophobicContact CG1-CD1 3.95Å; I84-I107 HydrophobicContact CG1-CG1 3.86Å; I107-I109 HydrophobicContact CD1-CD1 4.32Å; I107-I109 HydrophobicContact CD1-CG1 4.18Å; I107-I109 HydrophobicContact CG1-CG1 4.18Å; I107-R115 PolarHBondContact N-O 2.86Å; I107-R115 PolarHBondContact O-N 2.9Å; I107-F117 HydrophobicContact CB-CD1 3.87Å; I107-F117 HydrophobicContact CB-CE1 3.96Å; I107-F117 HydrophobicContact CG2-CD1 3.66Å; I107-F117 HydrophobicContact CG2-CE1 4.26Å; I107-F117 HydrophobicContact CG2-CG 4.36Å; I107-F138 HydrophobicContact CG2-CZ 4.34Å; I107-Y140 HydrophobicContact CG2-CE1 3.58Å
108S93.8Very high94.6Very high3 Ų349.3 Ų49.32%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-106.3142.1164.2167.90000108.4S82 Q83 E112S82-S108 CarbonylContact C-O 3.57Å; S82-S108 VanDerWaalsContact CA-O 3.28Å; S82-S108 WeakPolarHBondContact CA-O 3.35Å; Q83-S108 PolarHBondContact N-O 2.95Å; Q83-S108 PolarHBondContact O-N 2.92Å; S108-E112 WeakPolarHBondContact CB-O 3.34Å; S108-E112 PolarHBondContact OG-O 3.37Å
109I89.7Confident94.7Very high31 Ų3149.1 Ų49.116%0.15924%0.237CC..SBendtrans-124.6131.5177.7-67.4178.1000106.5N78 L79 I107 N111 E112 Y140N78-I109 WeakPolarHBondContact O-CG2 3.3Å; L79-I109 HydrophobicContact CD2-CD1 4.13Å; I107-I109 HydrophobicContact CD1-CD1 4.32Å; I107-I109 HydrophobicContact CD1-CG1 4.18Å; I107-I109 HydrophobicContact CG1-CG1 4.18Å; I109-N111 PolarHBondContact O-N 3.33Å; I109-N111 VanDerWaalsContact O-N 3.08Å; I109-E112 VanDerWaalsContact O-CB 3.29Å; I109-E112 WeakPolarHBondContact O-CB 3.29Å; I109-E112 WeakPolarHBondContact O-CG 3.36Å; I109-E112 PolarHBondContact O-N 3.3Å; I109-Y140 WeakPolarHBondContact CD1-OH 3.33Å
110V87.4Confident94.7Very high66 Ų6651.2 Ų51.240%0.425%0.251SS..THydrogen-bonded Turntrans54.333.5176.1-169.70000113.2N78 E112N78-V110 VanDerWaalsContact ND2-CG2 3.33Å; N78-V110 WeakPolarHBondContact ND2-CG2 3.38Å; V110-E112 VanDerWaalsContact C-N 3.25Å; V110-E112 PolarHBondContact O-N 2.86Å
111N80.6Confident94.7Very high118 Ų11848.3 Ų48.363%0.63124%0.236SC*.THydrogen-bonded Turntrans62.821.8-176.1-45.3-67.8000115.4I109I109-N111 PolarHBondContact O-N 3.33Å; I109-N111 VanDerWaalsContact O-N 3.08Å
112E89.3Confident94.7Very high123 Ų12350.4 Ų50.458%0.57525%0.246SC*.  trans-67.9171.8165.5-66.1-177.2171.500111.8S108 I109 V110S108-E112 WeakPolarHBondContact CB-O 3.34Å; S108-E112 PolarHBondContact OG-O 3.37Å; I109-E112 VanDerWaalsContact O-CB 3.29Å; I109-E112 WeakPolarHBondContact O-CB 3.29Å; I109-E112 WeakPolarHBondContact O-CG 3.36Å; I109-E112 PolarHBondContact O-N 3.3Å; V110-E112 VanDerWaalsContact C-N 3.25Å; V110-E112 PolarHBondContact O-N 2.86Å
113E92.3Very high94.7Very high168 Ų16847.5 Ų47.579%0.78523%0.233SC*.  trans-57.4145.2175.5-170.3176.9177.600111.7R115E113-R115 PolarHBondContact O-N 2.88Å
114F93.9Very high94.6Very high88 Ų8851.3 Ų51.339%0.38625%0.247SC..  trans-66.4116174.6-83.8-86.1000110.9Q83 E106Q83-F114 HydrophobicContact CB-CE1 3.97Å; Q83-F114 HydrophobicContact CB-CZ 3.76Å; E106-F114 HydrophobicContact CB-CB 4.38Å; E106-F114 HydrophobicContact CB-CD1 4.1Å
115R94.6Very high94.5Very high59 Ų5951 Ų5122%0.22324%0.243CC..EExtended strand (participates in β ladder)trans-102.9130.3178.2-66.4174.566-148.3-6110.1E106 I107 E113 Y140 D142E106-R115 WeakPolarHBondContact CA-O 3.4Å; I107-R115 PolarHBondContact N-O 2.86Å; I107-R115 PolarHBondContact O-N 2.9Å; E113-R115 PolarHBondContact O-N 2.88Å; R115-Y140 HydrophobicContact CB-CD1 3.67Å; R115-Y140 HydrophobicContact CB-CE1 3.69Å; R115-Y140 VanDerWaalsContact NH2-CD2 3.33Å; R115-Y140 VanDerWaalsContact NH2-CG 3.32Å; R115-D142 IonicContact CZ-OD1 3.11Å; R115-D142 IonicContact CZ-OD2 2.74Å; R115-D142 IonicContact NE-OD1 3.43Å; R115-D142 IonicContact NE-OD2 3.19Å; R115-D142 PolarHBondContact NE-OD2 2.83Å; R115-D142 VanDerWaalsContact NH2-CG 3.32Å; R115-D142 IonicContact NH2-OD1 3.41Å; R115-D142 PolarHBondContact NH2-OD1 2.88Å; R115-D142 IonicContact NH2-OD2 2.62Å; R115-D142 PolarHBondContact NH2-OD2 3.48Å; R115-D142 VanDerWaalsContact NH2-OD2 3.11Å
116R96.1Very high94.3Very high140 Ų14056.4 Ų56.453%0.52827%0.268SS..EExtended strand (participates in β ladder)trans-68.5137.6175.7-72.5175.5-175.2146.613.8110.8G105 E106 Y140 Q141G105-R116 CarbonylContact O-C 3.55Å; G105-R116 WeakPolarHBondContact O-CA 3.28Å; E106-R116 HydrophobicContact CG-CB 4.37Å; E106-R116 HydrophobicContact CG-CG 3.48Å; E106-R116 VanDerWaalsContact CG-CG 3.48Å; E106-R116 WeakPolarHBondContact OE1-CG 3.32Å; E106-R116 IonicContact OE1-CZ 2.67Å; E106-R116 IonicContact OE1-NE 3.2Å; E106-R116 PolarHBondContact OE1-NE 2.83Å; E106-R116 IonicContact OE1-NH2 2.69Å; E106-R116 PolarHBondContact OE1-NH2 2.84Å; R116-Y140 CarbonylContact O-C 3.5Å; R116-Y140 WeakPolarHBondContact O-CA 3.33Å; R116-Q141 HydrophobicContact CB-CB 4Å; R116-Q141 HydrophobicContact CB-CG 3.89Å; R116-Q141 PolarHBondContact O-N 2.84Å
117F96.1Very high94Very high0 Ų056.3 Ų56.30%028%0.275CS..EExtended strand (participates in β ladder)trans-133.9158.4177.874.8-89.2000111.6Y37 I84 I86 V103 G105 I107 Q119 F138 R139 Y140Y37-F117 HydrophobicContact CE1-CZ 4.49Å; Y37-F117 VanDerWaalsContact OH-CE2 3.32Å; Y37-F117 WeakPolarHBondContact OH-CE2 3.1Å; I84-F117 HydrophobicContact CG2-CE1 4.28Å; I84-F117 HydrophobicContact CG2-CZ 4.27Å; I86-F117 HydrophobicContact CD1-CZ 3.98Å; V103-F117 HydrophobicContact CG1-CE2 4.27Å; G105-F117 VanDerWaalsContact C-CD1 3.46Å; G105-F117 VanDerWaalsContact C-CE1 3.41Å; G105-F117 PolarHBondContact N-O 3.19Å; G105-F117 VanDerWaalsContact N-O 3.13Å; G105-F117 WeakPolarHBondContact O-CD1 3.33Å; G105-F117 PolarHBondContact O-N 3.13Å; I107-F117 HydrophobicContact CB-CD1 3.87Å; I107-F117 HydrophobicContact CB-CE1 3.96Å; I107-F117 HydrophobicContact CG2-CD1 3.66Å; I107-F117 HydrophobicContact CG2-CE1 4.26Å; I107-F117 HydrophobicContact CG2-CG 4.36Å; F117-Q119 HydrophobicContact CD2-CB 4.11Å; F117-Q119 HydrophobicContact CE2-CB 4.08Å; F117-F138 HydrophobicContact CB-CE2 3.66Å; F117-F138 HydrophobicContact CB-CZ 3.67Å; F117-F138 HydrophobicContact CD1-CE2 4.43Å; F117-F138 HydrophobicContact CD2-CD2 4.02Å; F117-F138 AromaticContact CD2-CE2 3.53Å; F117-F138 HydrophobicContact CD2-CE2 3.53Å; F117-F138 HydrophobicContact CD2-CZ 4.41Å; F117-F138 HydrophobicContact CE2-CE2 4.28Å; F117-F138 HydrophobicContact CG-CD2 4.49Å; F117-F138 AromaticContact CG-CE2 3.62Å; F117-F138 HydrophobicContact CG-CE2 3.62Å; F117-F138 HydrophobicContact CG-CZ 4.08Å; F117-R139 CarbonylContact C-O 3.54Å; F117-R139 VanDerWaalsContact CA-O 3.25Å; F117-R139 WeakPolarHBondContact CA-O 3.22Å; F117-R139 WeakPolarHBondContact CB-O 3.48Å; F117-Y140 HydrophobicContact CB-CD1 4.28Å
118T97.3Very high93.6Very high42 Ų4259.9 Ų59.926%0.25830%0.298SS..EExtended strand (participates in β ladder)trans-120.5143.9157.357.90000109.6V103 A104 R139V103-T118 CarbonylContact O-C 3.57Å; V103-T118 VanDerWaalsContact O-CA 3.29Å; V103-T118 WeakPolarHBondContact O-CA 3.48Å; A104-T118 HydrophobicContact CB-CG2 4.33Å; T118-R139 PolarHBondContact N-O 2.96Å; T118-R139 PolarHBondContact O-N 2.83Å
119Q97.8Very high93.2Very high1 Ų163.1 Ų63.11%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-137.4127.4176.4-164.2167.52.600110.2Y37 V103 F117 F121 D136 I137 F138Y37-Q119 PolarHBondContact OH-OE1 3.35Å; V103-Q119 HydrophobicContact CB-CB 4.46Å; V103-Q119 PolarHBondContact N-O 2.6Å; V103-Q119 PolarHBondContact O-N 2.74Å; F117-Q119 HydrophobicContact CD2-CB 4.11Å; F117-Q119 HydrophobicContact CE2-CB 4.08Å; Q119-F121 HydrophobicContact CB-CE2 4.29Å; Q119-F121 HydrophobicContact CG-CD2 4.42Å; Q119-F121 HydrophobicContact CG-CE1 4.24Å; Q119-F121 HydrophobicContact CG-CE2 3.78Å; Q119-F121 HydrophobicContact CG-CZ 3.7Å; Q119-D136 VanDerWaalsContact CG-OD1 3.22Å; Q119-D136 WeakPolarHBondContact CG-OD1 3.33Å; Q119-D136 PolarHBondContact NE2-OD1 2.62Å; Q119-D136 PolarHBondContact NE2-OD2 3.43Å; Q119-I137 CarbonylContact C-O 3.49Å; Q119-I137 VanDerWaalsContact CA-O 3.28Å; Q119-I137 WeakPolarHBondContact CA-O 3.26Å; Q119-F138 HydrophobicContact CB-CD2 4.07Å; Q119-F138 HydrophobicContact CG-CB 4.05Å; Q119-F138 HydrophobicContact CG-CD2 4.05Å
120C98.2Very high93.3Very high44 Ų4464.1 Ų64.130%0.29733%0.326SS..EExtended strand (participates in β ladder)trans-108.1128.4175.5-65.30000109.7I101 D136 I137I101-C120 CarbonylContact O-C 3.49Å; I101-C120 VanDerWaalsContact O-CA 3.3Å; I101-C120 WeakPolarHBondContact O-CA 3.32Å; C120-D136 CarbonylContact O-C 3.56Å; C120-D136 WeakPolarHBondContact O-CA 3.43Å; C120-I137 HydrophobicContact CB-CB 4.46Å; C120-I137 PolarHBondContact N-O 2.84Å; C120-I137 PolarHBondContact O-N 2.93Å
121F98.6Very high93.8Very high1 Ų162.3 Ų62.30%0.00431%0.313CS..EExtended strand (participates in β ladder)trans-114.4145.3170.3-55.3-88000110.4F32 Y36 L100 I101 V103 Q119 V133 N135 D136F32-F121 HydrophobicContact CE1-CB 4.23Å; F32-F121 AromaticContact CE1-CD1 3.93Å; F32-F121 HydrophobicContact CE1-CD1 3.93Å; F32-F121 AromaticContact CE1-CD2 3.78Å; F32-F121 HydrophobicContact CE1-CD2 3.78Å; F32-F121 HydrophobicContact CE1-CE1 4.13Å; F32-F121 AromaticContact CE1-CE2 3.99Å; F32-F121 HydrophobicContact CE1-CE2 3.99Å; F32-F121 AromaticContact CE1-CG 3.72Å; F32-F121 HydrophobicContact CE1-CG 3.72Å; F32-F121 HydrophobicContact CE1-CZ 4.14Å; F32-F121 AromaticContact CZ-CD1 3.94Å; F32-F121 HydrophobicContact CZ-CD1 3.94Å; F32-F121 HydrophobicContact CZ-CE1 4.06Å; F32-F121 HydrophobicContact CZ-CG 4.19Å; F32-F121 HydrophobicContact CZ-CZ 4.42Å; Y36-F121 HydrophobicContact CD1-CE1 4.37Å; Y36-F121 AromaticContact CD1-CZ 3.92Å; Y36-F121 HydrophobicContact CD1-CZ 3.92Å; Y36-F121 HydrophobicContact CD2-CE1 4.4Å; Y36-F121 HydrophobicContact CE1-CE1 4.06Å; Y36-F121 AromaticContact CE1-CZ 3.84Å; Y36-F121 HydrophobicContact CE1-CZ 3.84Å; Y36-F121 HydrophobicContact CE2-CE1 4.08Å; Y36-F121 HydrophobicContact CG-CZ 4.34Å; Y36-F121 AromaticContact CZ-CE1 3.91Å; L100-F121 WeakPolarHBondContact CA-O 3.13Å; I101-F121 HydrophobicContact CB-CB 4.25Å; I101-F121 HydrophobicContact CB-CD2 4.49Å; I101-F121 PolarHBondContact N-O 2.86Å; I101-F121 PolarHBondContact O-N 2.78Å; V103-F121 HydrophobicContact CG2-CD2 4.17Å; V103-F121 HydrophobicContact CG2-CE2 3.96Å; Q119-F121 HydrophobicContact CB-CE2 4.29Å; Q119-F121 HydrophobicContact CG-CD2 4.42Å; Q119-F121 HydrophobicContact CG-CE1 4.24Å; Q119-F121 HydrophobicContact CG-CE2 3.78Å; Q119-F121 HydrophobicContact CG-CZ 3.7Å; F121-V133 HydrophobicContact CD1-CG1 3.93Å; F121-V133 HydrophobicContact CD1-CG2 4.37Å; F121-N135 CarbonylContact C-O 3.59Å; F121-N135 VanDerWaalsContact CA-O 3.27Å; F121-N135 WeakPolarHBondContact CA-O 3.33Å; F121-D136 HydrophobicContact CD1-CB 4.19Å; F121-D136 HydrophobicContact CE1-CB 4.37Å
122I98.4Very high94.6Very high44 Ų4457.9 Ų57.923%0.22629%0.287CS..EExtended strand (participates in β ladder)trans-112115.2157.1-57.9-173.7000107.4V99 L100 L134 N135V99-I122 CarbonylContact O-C 3.59Å; V99-I122 WeakPolarHBondContact O-CA 3.36Å; L100-I122 HydrophobicContact CD1-CG1 4Å; I122-L134 HydrophobicContact CG2-CB 4.48Å; I122-L134 HydrophobicContact CG2-CD2 4.43Å; I122-L134 WeakPolarHBondContact O-CB 3.26Å; I122-L134 PolarHBondContact O-N 3.41Å; I122-N135 HydrophobicContact CB-CB 4.16Å; I122-N135 HydrophobicContact CD1-CB 4.46Å; I122-N135 HydrophobicContact CG1-CB 4.24Å; I122-N135 PolarHBondContact N-O 3.27Å; I122-N135 PolarHBondContact O-N 2.99Å
123L98.3Very high95Very high1 Ų152 Ų521%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-84.3139.7169-56.7-171.8000109.8F32 S98 V99 I101 F131 Y132 V133F32-L123 HydrophobicContact CB-CD1 4Å; F32-L123 HydrophobicContact CD1-CD1 4.19Å; F32-L123 HydrophobicContact CD1-CD2 4.18Å; F32-L123 HydrophobicContact CD2-CD1 4.12Å; F32-L123 HydrophobicContact CD2-CD2 3.91Å; F32-L123 HydrophobicContact CE1-CD2 4.04Å; F32-L123 HydrophobicContact CE2-CD2 3.75Å; F32-L123 HydrophobicContact CG-CD1 3.81Å; F32-L123 HydrophobicContact CG-CD2 4.13Å; F32-L123 HydrophobicContact CZ-CD2 3.83Å; S98-L123 CarbonylContact C-O 3.53Å; S98-L123 WeakPolarHBondContact CA-O 3.39Å; S98-L123 VanDerWaalsContact CB-O 3.26Å; S98-L123 WeakPolarHBondContact CB-O 3.32Å; V99-L123 HydrophobicContact CB-CB 4.44Å; V99-L123 PolarHBondContact N-O 3.1Å; V99-L123 PolarHBondContact O-N 2.81Å; I101-L123 HydrophobicContact CD1-CD1 3.63Å; I101-L123 HydrophobicContact CD1-CG 3.78Å; L123-F131 HydrophobicContact CB-CD1 4.24Å; L123-Y132 CarbonylContact C-O 3.55Å; L123-Y132 WeakPolarHBondContact CA-O 3.43Å; L123-V133 HydrophobicContact CD2-CB 4.47Å; L123-V133 HydrophobicContact CD2-CG2 3.78Å
124R97.3Very high95.3Very high80 Ų8045 Ų4530%0.30223%0.228SC..EExtended strand (participates in β ladder)trans-115.7126.1172.1-178.763.2172.7-165.4-1.4109N97 S98 Q126 F131 Y132 L134N97-R124 WeakPolarHBondContact O-CD 3.15Å; S98-R124 WeakPolarHBondContact OG-CD 3.31Å; S98-R124 PolarHBondContact OG-NH1 3.37Å; R124-Q126 PolarHBondContact O-N 2.7Å; R124-F131 WeakPolarHBondContact O-CA 3.34Å; R124-Y132 HydrophobicContact CB-CD1 4.05Å; R124-Y132 HydrophobicContact CB-CE1 3.55Å; R124-Y132 HydrophobicContact CB-CE2 4.26Å; R124-Y132 HydrophobicContact CG-CD1 4.39Å; R124-Y132 HydrophobicContact CG-CE1 3.49Å; R124-Y132 VanDerWaalsContact CG-CE1 3.49Å; R124-Y132 PolarHBondContact N-O 3.34Å; R124-Y132 WeakPolarHBondContact O-CD1 3.48Å; R124-Y132 PolarHBondContact O-N 3.11Å; R124-L134 HydrophobicContact CB-CB 4.05Å
125E95.9Very high95.5Very high12 Ų1243.2 Ų43.26%0.05622%0.222CC..EExtended strand (participates in β ladder)trans-72.8122170.9-166.5-175165.700108.9T16 V17 N97 A127 D130 F131T16-E125 WeakPolarHBondContact CA-OE1 3.41Å; T16-E125 WeakPolarHBondContact CA-OE2 3.45Å; V17-E125 HydrophobicContact CG2-CB 4.23Å; V17-E125 WeakPolarHBondContact CG2-OE2 3.41Å; V17-E125 PolarHBondContact N-OE2 3.37Å; N97-E125 HydrophobicContact CB-CB 3.83Å; N97-E125 PolarHBondContact O-N 3.36Å; E125-A127 VanDerWaalsContact CG-O 3.26Å; E125-A127 WeakPolarHBondContact CG-O 3.16Å; E125-D130 CarbonylContact C-O 3.57Å; E125-D130 WeakPolarHBondContact CA-O 3.44Å; E125-F131 HydrophobicContact CB-CD1 4.06Å; E125-F131 HydrophobicContact CB-CE1 3.64Å; E125-F131 HydrophobicContact CB-CZ 4.22Å; E125-F131 HydrophobicContact CG-CD1 4.49Å; E125-F131 HydrophobicContact CG-CE1 3.93Å; E125-F131 HydrophobicContact CG-CZ 3.99Å
126Q92.5Very high95.7Very high114 Ų11440.4 Ų40.453%0.53321%0.212SC..EExtended strand (participates in β ladder)trans-93.5-36.8174.8178.8164.313.500111.5R124 D130 Y132R124-Q126 PolarHBondContact O-N 2.7Å; Q126-D130 PolarHBondContact N-O 2.99Å; Q126-Y132 HydrophobicContact CB-CD1 4.2Å; Q126-Y132 HydrophobicContact CB-CE1 4.3Å
127A91Very high95.8Very high43 Ų4337.1 Ų37.136%0.35520%0.204SC..EExtended strand (participates in β ladder)trans-151.1169.2174.200000108.4E125 C129 D130E125-A127 VanDerWaalsContact CG-O 3.26Å; E125-A127 WeakPolarHBondContact CG-O 3.16Å; A127-C129 PolarHBondContact O-N 2.82Å; A127-C129 VanDerWaalsContact O-N 3.16Å; A127-D130 HydrophobicContact CB-CB 4.05Å; A127-D130 PolarHBondContact O-N 3.08Å
128P87.1Confident95.8Very high79 Ų7937.3 Ų37.351%0.51320%0.204SC..THydrogen-bonded Turntrans-52.3124.6176.8-26.935.8000111.4D130P128-D130 PolarHBondContact O-N 3.23Å
129C85.1Confident95.7Very high72 Ų7238.8 Ų38.849%0.48621%0.205SC..THydrogen-bonded Turntrans644.2-173.6-50.90000117F15 A127F15-C129 HydrophobicContact CD1-CB 4.37Å; F15-C129 WeakPolarHBondContact CD1-SG 3.48Å; A127-C129 PolarHBondContact O-N 2.82Å; A127-C129 VanDerWaalsContact O-N 3.16Å
130D92.3Very high95.6Very high51 Ų5139.5 Ų39.527%0.27321%0.208SC..EExtended strand (participates in β ladder)trans-107.3119.5177.6-175.328.8000111E125 Q126 A127 P128E125-D130 CarbonylContact C-O 3.57Å; E125-D130 WeakPolarHBondContact CA-O 3.44Å; Q126-D130 PolarHBondContact N-O 2.99Å; A127-D130 HydrophobicContact CB-CB 4.05Å; A127-D130 PolarHBondContact O-N 3.08Å; P128-D130 PolarHBondContact O-N 3.23Å
131F96.8Very high95.3Very high29 Ų2940.3 Ų40.313%0.12721%0.208CC..EExtended strand (participates in β ladder)trans-131.5141-170.1-69.9-86.8000111.8V17 M20 L28 L123 R124 E125V17-F131 HydrophobicContact CG2-CE1 3.48Å; V17-F131 VanDerWaalsContact CG2-CE1 3.48Å; V17-F131 HydrophobicContact CG2-CZ 3.76Å; M20-F131 HydrophobicContact CE-CZ 4.05Å; L28-F131 HydrophobicContact CD1-CD2 4.07Å; L28-F131 HydrophobicContact CD1-CE2 3.85Å; L28-F131 HydrophobicContact CD1-CZ 4.33Å; L28-F131 HydrophobicContact CD2-CD1 4.49Å; L28-F131 HydrophobicContact CD2-CE1 3.85Å; L28-F131 HydrophobicContact CD2-CE2 3.95Å; L28-F131 HydrophobicContact CD2-CZ 3.55Å; L123-F131 HydrophobicContact CB-CD1 4.24Å; R124-F131 WeakPolarHBondContact O-CA 3.34Å; E125-F131 HydrophobicContact CB-CD1 4.06Å; E125-F131 HydrophobicContact CB-CE1 3.64Å; E125-F131 HydrophobicContact CB-CZ 4.22Å; E125-F131 HydrophobicContact CG-CD1 4.49Å; E125-F131 HydrophobicContact CG-CE1 3.93Å; E125-F131 HydrophobicContact CG-CZ 3.99Å
132Y98Very high94.9Very high24 Ų2443.1 Ų43.19%0.09422%0.222CC..EExtended strand (participates in β ladder)trans-128.8158.6168.172.2-81.1000111.3F50 K52 D54 L123 R124 Q126 L134F50-Y132 CarbonylContact O-C 3.55Å; F50-Y132 WeakPolarHBondContact O-CA 3.49Å; F50-Y132 WeakPolarHBondContact O-CB 3.08Å; K52-Y132 HydrophobicContact CB-CD2 3.77Å; K52-Y132 HydrophobicContact CB-CE2 3.9Å; K52-Y132 HydrophobicContact CB-CG 4.39Å; K52-Y132 HydrophobicContact CD-CG 4.46Å; K52-Y132 HydrophobicContact CG-CD1 4.03Å; K52-Y132 HydrophobicContact CG-CD2 3.31Å; K52-Y132 HydrophobicContact CG-CE1 4.44Å; K52-Y132 HydrophobicContact CG-CE2 3.79Å; K52-Y132 HydrophobicContact CG-CG 3.43Å; K52-Y132 VanDerWaalsContact CG-CG 3.43Å; D54-Y132 VanDerWaalsContact OD1-CE2 3.32Å; D54-Y132 WeakPolarHBondContact OD1-CE2 3.34Å; D54-Y132 PolarHBondContact OD2-OH 3.08Å; L123-Y132 CarbonylContact C-O 3.55Å; L123-Y132 WeakPolarHBondContact CA-O 3.43Å; R124-Y132 HydrophobicContact CB-CD1 4.05Å; R124-Y132 HydrophobicContact CB-CE1 3.55Å; R124-Y132 HydrophobicContact CB-CE2 4.26Å; R124-Y132 HydrophobicContact CG-CD1 4.39Å; R124-Y132 HydrophobicContact CG-CE1 3.49Å; R124-Y132 VanDerWaalsContact CG-CE1 3.49Å; R124-Y132 PolarHBondContact N-O 3.34Å; R124-Y132 WeakPolarHBondContact O-CD1 3.48Å; R124-Y132 PolarHBondContact O-N 3.11Å; Q126-Y132 HydrophobicContact CB-CD1 4.2Å; Q126-Y132 HydrophobicContact CB-CE1 4.3Å; Y132-L134 HydrophobicContact CE2-CB 4.38Å; Y132-L134 HydrophobicContact CE2-CD1 4.18Å; Y132-L134 PolarHBondContact O-N 2.79Å
133V98.5Very high94.3Very high0 Ų048.7 Ų48.70%024%0.242CC..EExtended strand (participates in β ladder)trans-79.6108.3174.8-177.60000108.5F32 F50 Y51 S55 F121 L123 N135 D136F32-V133 HydrophobicContact CE2-CG2 3.6Å; F32-V133 HydrophobicContact CZ-CG2 3.48Å; F32-V133 VanDerWaalsContact CZ-CG2 3.48Å; F50-V133 HydrophobicContact CB-CG2 4.12Å; F50-V133 PolarHBondContact O-N 3.34Å; Y51-V133 HydrophobicContact CD1-CB 3.73Å; Y51-V133 HydrophobicContact CD1-CG1 3.89Å; Y51-V133 HydrophobicContact CE1-CB 3.58Å; Y51-V133 HydrophobicContact CE1-CG1 3.32Å; Y51-V133 HydrophobicContact CE1-CG2 4.34Å; Y51-V133 HydrophobicContact CG-CB 4.4Å; S55-V133 WeakPolarHBondContact CB-O 3.28Å; S55-V133 PolarHBondContact OG-O 3.24Å; F121-V133 HydrophobicContact CD1-CG1 3.93Å; F121-V133 HydrophobicContact CD1-CG2 4.37Å; L123-V133 HydrophobicContact CD2-CB 4.47Å; L123-V133 HydrophobicContact CD2-CG2 3.78Å; V133-N135 WeakPolarHBondContact CG1-O 3.41Å; V133-D136 HydrophobicContact CG1-CB 4.19Å
134L98.4Very high93.6Very high21 Ų2152.3 Ų52.311%0.1126%0.264CS..EExtended strand (participates in β ladder)trans-74.4-47173.3179.862.4000110.8D54 S55 S56 I122 R124 Y132 M176D54-L134 WeakPolarHBondContact OD2-CD1 3.17Å; S55-L134 CarbonylContact C-O 2.99Å; S55-L134 VanDerWaalsContact CA-O 3.23Å; S55-L134 WeakPolarHBondContact CA-O 3.13Å; S56-L134 PolarHBondContact N-O 2.83Å; I122-L134 HydrophobicContact CG2-CB 4.48Å; I122-L134 HydrophobicContact CG2-CD2 4.43Å; I122-L134 WeakPolarHBondContact O-CB 3.26Å; I122-L134 PolarHBondContact O-N 3.41Å; R124-L134 HydrophobicContact CB-CB 4.05Å; Y132-L134 HydrophobicContact CE2-CB 4.38Å; Y132-L134 HydrophobicContact CE2-CD1 4.18Å; Y132-L134 PolarHBondContact O-N 2.79Å; L134-M176 HydrophobicContact CD1-CE 4.24Å
135N98.3Very high93.1Very high50 Ų5054.7 Ų54.727%0.26727%0.274SS..EExtended strand (participates in β ladder)trans-131.1137.7178.3-65.1-41.5000110.7S56 F121 I122 V133S56-N135 CarbonylContact O-C 3.56Å; S56-N135 VanDerWaalsContact O-CA 3.31Å; S56-N135 WeakPolarHBondContact O-CA 3.46Å; F121-N135 CarbonylContact C-O 3.59Å; F121-N135 VanDerWaalsContact CA-O 3.27Å; F121-N135 WeakPolarHBondContact CA-O 3.33Å; I122-N135 HydrophobicContact CB-CB 4.16Å; I122-N135 HydrophobicContact CD1-CB 4.46Å; I122-N135 HydrophobicContact CG1-CB 4.24Å; I122-N135 PolarHBondContact N-O 3.27Å; I122-N135 PolarHBondContact O-N 2.99Å; V133-N135 WeakPolarHBondContact CG1-O 3.41Å
136D98.2Very high91.9Very high1 Ų155.5 Ų55.51%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-125.1129.6166.8177.224.7000109.9Y51 S56 M57 I58 R59 Q119 C120 F121 V133Y51-D136 HydrophobicContact CE1-CB 3.93Å; Y51-D136 PolarHBondContact OH-OD2 3.13Å; S56-D136 PolarHBondContact O-N 3.07Å; M57-D136 CarbonylContact C-O 3.6Å; M57-D136 VanDerWaalsContact CA-O 3.28Å; M57-D136 WeakPolarHBondContact CA-O 3.47Å; M57-D136 HydrophobicContact CB-CB 4.35Å; M57-D136 HydrophobicContact CE-CB 4.39Å; M57-D136 WeakPolarHBondContact CE-OD2 3.33Å; M57-D136 HydrophobicContact CG-CB 4.14Å; I58-D136 PolarHBondContact N-O 3.06Å; R59-D136 IonicContact NH2-OD2 3.43Å; R59-D136 PolarHBondContact NH2-OD2 2.82Å; Q119-D136 VanDerWaalsContact CG-OD1 3.22Å; Q119-D136 WeakPolarHBondContact CG-OD1 3.33Å; Q119-D136 PolarHBondContact NE2-OD1 2.62Å; Q119-D136 PolarHBondContact NE2-OD2 3.43Å; C120-D136 CarbonylContact O-C 3.56Å; C120-D136 WeakPolarHBondContact O-CA 3.43Å; F121-D136 HydrophobicContact CD1-CB 4.19Å; F121-D136 HydrophobicContact CE1-CB 4.37Å; V133-D136 HydrophobicContact CG1-CB 4.19Å
137I97.9Very high90.5Very high70 Ų7056.6 Ų56.636%0.35930%0.295SS..EExtended strand (participates in β ladder)trans-129113.5170.1-56.8179.1000108.3I58 Q119 C120I58-I137 HydrophobicContact CB-CG1 4.34Å; I58-I137 HydrophobicContact CB-CG2 4.39Å; I58-I137 HydrophobicContact CD1-CD1 4.43Å; I58-I137 HydrophobicContact CD1-CG1 4.39Å; I58-I137 WeakPolarHBondContact O-CA 3.35Å; Q119-I137 CarbonylContact C-O 3.49Å; Q119-I137 VanDerWaalsContact CA-O 3.28Å; Q119-I137 WeakPolarHBondContact CA-O 3.26Å; C120-I137 HydrophobicContact CB-CB 4.46Å; C120-I137 PolarHBondContact N-O 2.84Å; C120-I137 PolarHBondContact O-N 2.93Å
138F96.8Very high89Confident4 Ų460.5 Ų60.52%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-111.6132.2176.3177.4-84.2000111.5I58 R59 I107 F117 Q119 Y140I58-F138 PolarHBondContact O-N 2.94Å; R59-F138 HydrophobicContact CG-CB 4.3Å; R59-F138 HydrophobicContact CG-CD1 3.97Å; R59-F138 HydrophobicContact CG-CG 4.48Å; R59-F138 VanDerWaalsContact CZ-CB 3.47Å; R59-F138 VanDerWaalsContact CZ-CG 3.43Å; R59-F138 VanDerWaalsContact NH1-CD1 3.3Å; R59-F138 VanDerWaalsContact NH1-CD2 3.34Å; R59-F138 VanDerWaalsContact NH2-CB 3.35Å; I107-F138 HydrophobicContact CG2-CZ 4.34Å; F117-F138 HydrophobicContact CB-CE2 3.66Å; F117-F138 HydrophobicContact CB-CZ 3.67Å; F117-F138 HydrophobicContact CD1-CE2 4.43Å; F117-F138 HydrophobicContact CD2-CD2 4.02Å; F117-F138 AromaticContact CD2-CE2 3.53Å; F117-F138 HydrophobicContact CD2-CE2 3.53Å; F117-F138 HydrophobicContact CD2-CZ 4.41Å; F117-F138 HydrophobicContact CE2-CE2 4.28Å; F117-F138 HydrophobicContact CG-CD2 4.49Å; F117-F138 AromaticContact CG-CE2 3.62Å; F117-F138 HydrophobicContact CG-CE2 3.62Å; F117-F138 HydrophobicContact CG-CZ 4.08Å; Q119-F138 HydrophobicContact CB-CD2 4.07Å; Q119-F138 HydrophobicContact CG-CB 4.05Å; Q119-F138 HydrophobicContact CG-CD2 4.05Å; F138-Y140 HydrophobicContact CE1-CD1 4.29Å; F138-Y140 AromaticContact CE1-CD2 3.79Å; F138-Y140 HydrophobicContact CE1-CD2 3.79Å; F138-Y140 HydrophobicContact CE1-CE1 4.16Å; F138-Y140 AromaticContact CE1-CE2 3.62Å; F138-Y140 HydrophobicContact CE1-CE2 3.62Å; F138-Y140 HydrophobicContact CE1-CG 4.12Å; F138-Y140 AromaticContact CE1-CZ 3.81Å; F138-Y140 HydrophobicContact CZ-CD1 4.2Å; F138-Y140 HydrophobicContact CZ-CD2 4.46Å; F138-Y140 AromaticContact CZ-CE1 3.88Å; F138-Y140 HydrophobicContact CZ-CE1 3.88Å; F138-Y140 HydrophobicContact CZ-CE2 4.15Å; F138-Y140 HydrophobicContact CZ-CG 4.48Å; F138-Y140 AromaticContact CZ-CZ 3.85Å
139R95.3Very high87.5Confident73 Ų7364.8 Ų64.828%0.27532%0.32SS..EExtended strand (participates in β ladder)trans-137.9136.6173.7-65.3-171.5174.4-77.1-4.6111.3D61 F117 T118 V144D61-R139 VanDerWaalsContact CG-NH1 3.28Å; D61-R139 IonicContact OD1-CZ 3.84Å; D61-R139 IonicContact OD1-NH1 2.76Å; D61-R139 PolarHBondContact OD1-NH1 3.5Å; D61-R139 IonicContact OD1-NH2 2.79Å; D61-R139 PolarHBondContact OD1-NH2 3.2Å; D61-R139 IonicContact OD2-NH1 3.36Å; D61-R139 PolarHBondContact OD2-NH1 2.93Å; F117-R139 CarbonylContact C-O 3.54Å; F117-R139 VanDerWaalsContact CA-O 3.25Å; F117-R139 WeakPolarHBondContact CA-O 3.22Å; F117-R139 WeakPolarHBondContact CB-O 3.48Å; T118-R139 PolarHBondContact N-O 2.96Å; T118-R139 PolarHBondContact O-N 2.83Å; R139-V144 HydrophobicContact CB-CG2 4.48Å
140Y94.4Very high85.9Confident17 Ų1766.9 Ų66.97%0.06733%0.33CS..EExtended strand (participates in β ladder)trans-75.7143.3161.6-68.5-74.8000110.3I107 I109 R115 R116 F117 F138 D142 Y143I107-Y140 HydrophobicContact CG2-CE1 3.58Å; I109-Y140 WeakPolarHBondContact CD1-OH 3.33Å; R115-Y140 HydrophobicContact CB-CD1 3.67Å; R115-Y140 HydrophobicContact CB-CE1 3.69Å; R115-Y140 VanDerWaalsContact NH2-CD2 3.33Å; R115-Y140 VanDerWaalsContact NH2-CG 3.32Å; R116-Y140 CarbonylContact O-C 3.5Å; R116-Y140 WeakPolarHBondContact O-CA 3.33Å; F117-Y140 HydrophobicContact CB-CD1 4.28Å; F138-Y140 HydrophobicContact CE1-CD1 4.29Å; F138-Y140 AromaticContact CE1-CD2 3.79Å; F138-Y140 HydrophobicContact CE1-CD2 3.79Å; F138-Y140 HydrophobicContact CE1-CE1 4.16Å; F138-Y140 AromaticContact CE1-CE2 3.62Å; F138-Y140 HydrophobicContact CE1-CE2 3.62Å; F138-Y140 HydrophobicContact CE1-CG 4.12Å; F138-Y140 AromaticContact CE1-CZ 3.81Å; F138-Y140 HydrophobicContact CZ-CD1 4.2Å; F138-Y140 HydrophobicContact CZ-CD2 4.46Å; F138-Y140 AromaticContact CZ-CE1 3.88Å; F138-Y140 HydrophobicContact CZ-CE1 3.88Å; F138-Y140 HydrophobicContact CZ-CE2 4.15Å; F138-Y140 HydrophobicContact CZ-CG 4.48Å; F138-Y140 AromaticContact CZ-CZ 3.85Å; Y140-D142 VanDerWaalsContact C-N 3.34Å; Y140-D142 WeakPolarHBondContact CB-OD1 2.9Å; Y140-Y143 HydrophobicContact CD2-CD2 4.46Å; Y140-Y143 PolarHBondContact O-N 3.04Å
141Q93Very high83.7Confident61 Ų6170.1 Ų70.129%0.28535%0.348SS..Hα-helixtrans-70.7-31.1179.1-67.3-174.6-0.400112.2R116 Y143 V144 Y145R116-Q141 HydrophobicContact CB-CB 4Å; R116-Q141 HydrophobicContact CB-CG 3.89Å; R116-Q141 PolarHBondContact O-N 2.84Å; Q141-Y143 VanDerWaalsContact C-N 3.33Å; Q141-Y143 PolarHBondContact O-N 2.8Å; Q141-V144 PolarHBondContact O-N 3.23Å; Q141-V144 VanDerWaalsContact O-N 3.1Å; Q141-Y145 HydrophobicContact CB-CD2 4.17Å; Q141-Y145 HydrophobicContact CB-CE2 4.43Å; Q141-Y145 WeakPolarHBondContact O-CD2 3.43Å; Q141-Y145 PolarHBondContact O-N 3.44Å
142D90.7Very high81.6Confident59 Ų5972.7 Ų72.732%0.31637%0.374SS..Hα-helixtrans-66.3-31.3176.256.613.5000112.9R115 Y140 V144 G146R115-D142 IonicContact CZ-OD1 3.11Å; R115-D142 IonicContact CZ-OD2 2.74Å; R115-D142 IonicContact NE-OD1 3.43Å; R115-D142 IonicContact NE-OD2 3.19Å; R115-D142 PolarHBondContact NE-OD2 2.83Å; R115-D142 VanDerWaalsContact NH2-CG 3.32Å; R115-D142 IonicContact NH2-OD1 3.41Å; R115-D142 PolarHBondContact NH2-OD1 2.88Å; R115-D142 IonicContact NH2-OD2 2.62Å; R115-D142 PolarHBondContact NH2-OD2 3.48Å; R115-D142 VanDerWaalsContact NH2-OD2 3.11Å; Y140-D142 VanDerWaalsContact C-N 3.34Å; Y140-D142 WeakPolarHBondContact CB-OD1 2.9Å; D142-V144 VanDerWaalsContact C-N 3.27Å; D142-V144 PolarHBondContact O-N 3.01Å; D142-G146 WeakPolarHBondContact O-CA 3.37Å; D142-G146 PolarHBondContact O-N 2.92Å
143Y84.9Confident79.4Confident161 Ų16180.7 Ų80.763%0.63141%0.412SS*.Hα-helixtrans-68.9-23.3170.1-93.6-91000113.6Y140 Q141Y140-Y143 HydrophobicContact CD2-CD2 4.46Å; Y140-Y143 PolarHBondContact O-N 3.04Å; Q141-Y143 VanDerWaalsContact C-N 3.33Å; Q141-Y143 PolarHBondContact O-N 2.8Å
144V83.7Confident76.9Confident77 Ų7785.6 Ų85.647%0.46744%0.442SS..Hα-helixtrans-91-31.4179.1-1800000111.9R139 Q141 D142R139-V144 HydrophobicContact CB-CG2 4.48Å; Q141-V144 PolarHBondContact O-N 3.23Å; Q141-V144 VanDerWaalsContact O-N 3.1Å; D142-V144 VanDerWaalsContact C-N 3.27Å; D142-V144 PolarHBondContact O-N 3.01Å
145Y86.5Confident74.2Confident131 Ų13191.8 Ų91.851%0.51448%0.476SS..Hα-helixtrans-121.95-172.6-55.4-65.1000114.4Q141 D147 L148Q141-Y145 HydrophobicContact CB-CD2 4.17Å; Q141-Y145 HydrophobicContact CB-CE2 4.43Å; Q141-Y145 WeakPolarHBondContact O-CD2 3.43Å; Q141-Y145 PolarHBondContact O-N 3.44Å; Y145-D147 PolarHBondContact O-N 3.31Å; Y145-L148 HydrophobicContact CD1-CD1 3.94Å; Y145-L148 WeakPolarHBondContact O-CB 3.46Å; Y145-L148 PolarHBondContact O-N 3.01Å; Y145-L148 VanDerWaalsContact O-N 3.15Å
146G70.9Confident71.4Confident28 Ų2897.3 Ų97.329%0.28951%0.505SS..Hα-helixtrans-60-46.4-171.300000113.5D142 L148 K149D142-G146 WeakPolarHBondContact O-CA 3.37Å; D142-G146 PolarHBondContact O-N 2.92Å; G146-L148 PolarHBondContact O-N 3.49Å; G146-L148 VanDerWaalsContact O-N 3.08Å; G146-K149 PolarHBondContact O-N 3.1Å
147D62.7Low68.7Low138 Ų138104 Ų10474%0.73854%0.541SS*.Hα-helixtrans-62.7-16.7179.1-65-22.3000113.8Y145 N151Y145-D147 PolarHBondContact O-N 3.31Å; D147-N151 PolarHBondContact O-ND2 2.87Å; D147-N151 VanDerWaalsContact O-ND2 3.12Å
148L59.9Low66.3Low125 Ų125108.7 Ų108.765%0.65456%0.561SS**Hα-helixtrans-79.5-22.6176-57.4174.9000112.5Y145 G146Y145-L148 HydrophobicContact CD1-CD1 3.94Å; Y145-L148 WeakPolarHBondContact O-CB 3.46Å; Y145-L148 PolarHBondContact O-N 3.01Å; Y145-L148 VanDerWaalsContact O-N 3.15Å; G146-L148 PolarHBondContact O-N 3.49Å; G146-L148 VanDerWaalsContact O-N 3.08Å
149K55.2Low63.6Low169 Ų169117 Ų11774%0.73561%0.605SS**Hα-helixtrans-83.1-28.4-177.1-68.9-171.7-177.5-178.40113.3G146G146-K149 PolarHBondContact O-N 3.1Å
150T51Low60.8Low115 Ų115116.8 Ų116.871%0.70662%0.618SS**THydrogen-bonded Turntrans-81.7-15.8-175-20.30000113.9
151N47.1Very low58.4Low120 Ų120125.2 Ų125.264%0.64266%0.655SS**THydrogen-bonded Turntrans-1095.4-172.5-65.1-41.5000114.1D147 E153D147-N151 PolarHBondContact O-ND2 2.87Å; D147-N151 VanDerWaalsContact O-ND2 3.12Å; N151-E153 VanDerWaalsContact C-N 3.31Å; N151-E153 PolarHBondContact O-N 3.37Å
152A51.8Low55.7Low83 Ų83129.3 Ų129.369%0.68668%0.684SS**THydrogen-bonded Turntrans-79-5.1-172.700000115.2
153E52.5Low53.5Low191 Ų191133.5 Ų133.589%0.89371%0.707SS**THydrogen-bonded Turntrans-108.71.3-177.1-64.4-162.8148.200114.8N151N151-E153 VanDerWaalsContact C-N 3.31Å; N151-E153 PolarHBondContact O-N 3.37Å
154T45.7Very low50.9Low103 Ų103134.3 Ų134.363%0.63272%0.716SS**SBendtrans-146.4118.41787.10000114.6
155N42.5Very low48.7Very low152 Ų152140 Ų14081%0.81373%0.73SS**  trans77.4122.1161.2-52.9-44.8000118.5
156D39.2Very low46.2Very low165 Ų165138.6 Ų138.688%0.88274%0.74SS**SBendtrans-49.1158.9156-129.2-29.1000112.3
157D40.8Very low44.6Very low143 Ų143141.6 Ų141.677%0.76576%0.755SS**  trans72.272.1163.5-153.225.7000119.4
158H48.7Very low43.6Very low168 Ų168139.1 Ų139.178%0.77875%0.748SS**  trans-157.980.9138.4-132.4-83.4000115A160H158-A160 VanDerWaalsContact C-N 3.26Å; H158-A160 PolarHBondContact O-N 3.2Å
159L39.6Very low42.7Very low179 Ų179142.3 Ų142.394%0.93776%0.759SS**  trans-83.558.4178.3-150.5160.2000112
160A35.8Very low42.1Very low67 Ų67140 Ų14055%0.55476%0.755SS**  trans-165.587.5174.200000114.3H158H158-A160 VanDerWaalsContact C-N 3.26Å; H158-A160 PolarHBondContact O-N 3.2Å
161K43.5Very low41.5Very low194 Ų194139.2 Ų139.284%0.84375%0.75SS**  trans-142.485.9150.2-78.7-163.4179.6179.80110.1N163K161-N163 PolarHBondContact O-N 2.99Å; K161-N163 VanDerWaalsContact O-N 3.13Å
162V38Very low41.5Very low147 Ų147136.5 Ų136.589%0.89174%0.741SS**  trans-66.8104.7154.4175.30000105.2E164V162-E164 PolarHBondContact O-N 2.71Å
163N42.7Very low41.1Very low148 Ų148140.1 Ų140.179%0.79174%0.743SS**  trans-67.1123.5-179.7-156.233.5000108.3K161 Y165K161-N163 PolarHBondContact O-N 2.99Å; K161-N163 VanDerWaalsContact O-N 3.13Å; N163-Y165 PolarHBondContact O-N 2.87Å; N163-Y165 VanDerWaalsContact O-N 3.08Å
164E32.2Very low40.5Very low177 Ų177133.5 Ų133.583%0.82772%0.717SS**  trans-67110.1-174.7-169.7167.5-174.500109V162 S166V162-E164 PolarHBondContact O-N 2.71Å; E164-S166 VanDerWaalsContact C-N 3.26Å; E164-S166 PolarHBondContact O-N 3.22Å
165Y36Very low40.3Very low196 Ų196133.8 Ų133.877%0.76972%0.723SS**  trans-73.582.4-177.6-164.5-85.1000109.4N163 P167N163-Y165 PolarHBondContact O-N 2.87Å; N163-Y165 VanDerWaalsContact O-N 3.08Å; Y165-P167 WeakPolarHBondContact O-CD 3.41Å
166S33.6Very low40.6Very low102 Ų102131 Ų13171%0.71371%0.706SS**  trans-76.3115.7167.8-169.20000108.4E164 S168E164-S166 VanDerWaalsContact C-N 3.26Å; E164-S166 PolarHBondContact O-N 3.22Å; S166-S168 PolarHBondContact O-N 3.44Å
167P37.4Very low41.1Very low92 Ų92128.8 Ų128.860%0.59770%0.701SS**  trans-61.8121.9173.1-17.131.5000108.5Y165 E169Y165-P167 WeakPolarHBondContact O-CD 3.41Å; P167-E169 PolarHBondContact O-N 2.84Å
168S42.8Very low41Very low86 Ų86131 Ų13160%0.60171%0.707SS**  trans-61.6131.1171.346.90000109.2S166 N170S166-S168 PolarHBondContact O-N 3.44Å; S168-N170 PolarHBondContact O-N 3.39Å
169E40.9Very low40.9Very low191 Ų191128.2 Ų128.289%0.89371%0.706SS**SBendtrans-71.725-171.6-63.6-173.2123.400114.6P167 V171P167-E169 PolarHBondContact O-N 2.84Å; E169-V171 PolarHBondContact O-N 2.8Å
170N41.8Very low41.3Very low122 Ų122124.4 Ų124.465%0.65270%0.7SS**  trans-82.353.8166.2-85-12.6000111S168 S172S168-N170 PolarHBondContact O-N 3.39Å; N170-S172 VanDerWaalsContact C-N 3.27Å; N170-S172 PolarHBondContact O-N 3.33Å
171V38.8Very low41.5Very low98 Ų98132.9 Ų132.959%0.59472%0.718SS**  trans-77.581.7170.3-174.10000108.7E169 H173E169-V171 PolarHBondContact O-N 2.8Å; V171-H173 PolarHBondContact O-N 2.85Å; V171-H173 VanDerWaalsContact O-N 3.16Å
172S48Very low41.7Very low63 Ų63130.6 Ų130.644%0.44172%0.715SS.*  trans-62114.5157.7-167.10000107.2N170 C174N170-S172 VanDerWaalsContact C-N 3.27Å; N170-S172 PolarHBondContact O-N 3.33Å; S172-C174 VanDerWaalsContact C-N 3.26Å; S172-C174 PolarHBondContact O-N 2.83Å; S172-C174 PolarHBondContact O-SG 3.04Å
173H41.8Very low41.5Very low159 Ų159130.8 Ų130.874%0.73671%0.711SS**  trans-72.272.7-171-95.9-89.7000112.6V171 S175V171-H173 PolarHBondContact O-N 2.85Å; V171-H173 VanDerWaalsContact O-N 3.16Å; H173-S175 VanDerWaalsContact C-N 3.33Å; H173-S175 PolarHBondContact O-N 3Å; H173-S175 PolarHBondContact O-OG 3Å
174C41.1Very low42Very low52 Ų52130.3 Ų130.335%0.35170%0.703SS.*  trans-77.485.8177.7-49.20000109.1C65 S172 M176C65-C174 HydrophobicContact CB-CB 4.15Å; C65-C174 WeakPolarHBondContact CB-SG 3.26Å; C65-C174 WeakPolarHBondContact SG-CB 3.41Å; C65-C174 CovalentContact SG-SG 2.04Å; C65-C174 PolarHBondContact SG-SG 3.47Å; S172-C174 VanDerWaalsContact C-N 3.26Å; S172-C174 PolarHBondContact O-N 2.83Å; S172-C174 PolarHBondContact O-SG 3.04Å; C174-M176 PolarHBondContact O-N 2.97Å
175S40.6Very low42.3Very low108 Ų108127.6 Ų127.676%0.75570%0.704SS**  trans-73.689.6-174.7-59.50000111.3H173H173-S175 VanDerWaalsContact C-N 3.33Å; H173-S175 PolarHBondContact O-N 3Å; H173-S175 PolarHBondContact O-OG 3Å
176M48.7Very low42.9Very low94 Ų94123.4 Ų123.446%0.46369%0.691SS.*  trans-73.5130.6178.1-68.4-66.6-86.100111.8L134 C174 H178L134-M176 HydrophobicContact CD1-CE 4.24Å; C174-M176 PolarHBondContact O-N 2.97Å; M176-H178 PolarHBondContact O-N 3.44Å
177P50Low43Very low118 Ų118123.1 Ų123.177%0.76669%0.689SS**  trans-74.3112.4170.429.2-31.9000110.4S179P177-S179 PolarHBondContact O-N 2.96Å; P177-S179 VanDerWaalsContact O-N 3.13Å
178H40Very low43Very low191 Ų191126 Ų12688%0.88469%0.688SS**  trans-71.5101.8173.7-78-80.2000111.6M176M176-H178 PolarHBondContact O-N 3.44Å
179S46.2Very low42.6Very low109 Ų109130.4 Ų130.476%0.76270%0.699SS**  trans-80.3145.9158.355.30000110.7P177P177-S179 PolarHBondContact O-N 2.96Å; P177-S179 VanDerWaalsContact O-N 3.13Å
180A48.4Very low42.3Very low99 Ų99125.1 Ų125.182%0.81870%0.696SS**  trans-78.8155.2-163.600000114.9
181R38.6Very low42.4Very low245 Ų245123.5 Ų123.593%0.92569%0.691SS**  trans-32.8128.2173-61.5165.8176.4137.40.4115.8
182D47.5Very low42.6Very low146 Ų146123.9 Ų123.978%0.78170%0.698SS**  trans-114.7137.4141.9-84.2-46.5000108.3
183D34.8Very low42.6Very low150 Ų150127.5 Ų127.580%0.80271%0.708SS**  trans-109104-177.1-177.120.4000110
184H53.3Low42.5Very low138 Ų138122.9 Ų122.964%0.63970%0.703SS**  trans-132.389.4-178.6-74.3-18000111H186H184-H186 PolarHBondContact O-N 3.39Å
185S37.5Very low42.5Very low121 Ų121127 Ų12785%0.84672%0.722SS**  trans-62.4111.3166.1178.10000110.6
186H49.4Very low42.7Very low108 Ų108123.4 Ų123.450%0.569%0.692SS.*  trans-111.9131.1169.6-85.8-97.8000110.4R93 H184R93-H186 PolarHBondContact NH2-CD2 3.49Å; R93-H186 PolarHBondContact NH2-CE1 3.4Å; R93-H186 PolarHBondContact NH2-NE2 3.5Å; H184-H186 PolarHBondContact O-N 3.39Å
187S34.8Very low42.5Very low96 Ų96126.2 Ų126.267%0.67170%0.702SS**  trans-72.7136.3176-164.50000110.8
188W39.1Very low42.3Very low152 Ų152128.1 Ų128.158%0.57670%0.7SS**  trans-106.581.8-179.3-67.898.6000110.6L92L92-W188 HydrophobicContact CB-CH2 3.51Å; L92-W188 HydrophobicContact CB-CZ2 4.03Å; L92-W188 HydrophobicContact CB-CZ3 4.22Å; L92-W188 HydrophobicContact CD1-CH2 4.39Å; L92-W188 HydrophobicContact CD1-CZ2 4.38Å; L92-W188 HydrophobicContact CD2-CE3 3.82Å; L92-W188 HydrophobicContact CD2-CH2 3.49Å; L92-W188 VanDerWaalsContact CD2-CH2 3.49Å; L92-W188 HydrophobicContact CD2-CZ2 4.18Å; L92-W188 HydrophobicContact CD2-CZ3 3.28Å; L92-W188 HydrophobicContact CG-CH2 3.94Å; L92-W188 HydrophobicContact CG-CZ2 4.41Å; L92-W188 HydrophobicContact CG-CZ3 4.24Å
189E33.7Very low42.4Very low178 Ų178121.6 Ų121.683%0.83267%0.674SS**  trans-127.9112.4176.9-70.8178128.300110.8
190G33.9Very low42.7Very low80 Ų80116.9 Ų116.983%0.82564%0.64SS**  trans88.355.5160.800000118.6
191V44Very low42.4Very low89 Ų89116.1 Ų116.154%0.53962%0.622SS.*  trans-90.2114.8159.4-1770000109.2P22 L26P22-V191 HydrophobicContact CB-CG2 4.11Å; L26-V191 HydrophobicContact CD2-CG1 4.17Å
192S43.5Very low42.9Very low106 Ų106111.8 Ų111.874%0.74161%0.612SS**  trans-86.2144.3-177.2-164.70000112G194S192-G194 PolarHBondContact O-N 2.85Å
193E48.7Very low43Very low138 Ų138106 Ų10665%0.64558%0.582SS**SBendtrans-72.828.4-169-58.9-172.2129.300115.3K88K88-E193 IonicContact NZ-OE1 2.99Å; K88-E193 PolarHBondContact NZ-OE1 3.36Å
194G38.4Very low43.6Very low63 Ų63102.7 Ų102.765%0.64956%0.562SS**  trans-87.3-33-151.200000119.4S192S192-G194 PolarHBondContact O-N 2.85Å
195N42.1Very low42.7Very low139 Ų139101.5 Ų101.574%0.74356%0.564SS**SBendtrans-125.3-5.3-153.9-152.948.5000118
196Y44.5Very low42.5Very low32 Ų3299.3 Ų99.313%0.12555%0.549CS..SBendtrans-92.3-13.8-176.563.5-104.7000114.6L26 L89 Q198 T199 I200L26-Y196 HydrophobicContact CD1-CD1 4.44Å; L26-Y196 HydrophobicContact CD2-CD1 4.19Å; L26-Y196 HydrophobicContact CG-CD1 4.49Å; L89-Y196 HydrophobicContact CB-CD2 4.49Å; L89-Y196 HydrophobicContact CB-CE2 4.3Å; Y196-Q198 VanDerWaalsContact C-N 3.3Å; Y196-Q198 PolarHBondContact O-N 3.01Å; Y196-T199 PolarHBondContact O-N 3.27Å; Y196-T199 VanDerWaalsContact O-N 3.13Å; Y196-I200 HydrophobicContact CD2-CD1 3.42Å; Y196-I200 VanDerWaalsContact CD2-CD1 3.42Å; Y196-I200 HydrophobicContact CD2-CG1 4.28Å; Y196-I200 HydrophobicContact CE2-CD1 3.76Å; Y196-I200 PolarHBondContact O-N 2.95Å
197K44.6Very low41.5Very low152 Ų15299.4 Ų99.466%0.66156%0.561SS**Hα-helixtrans-55.1-44.7-179.1-83.5-169.6167.6-172.30112.7T199 I200 D201K197-T199 PolarHBondContact O-N 3.27Å; K197-T199 VanDerWaalsContact O-N 3.11Å; K197-I200 PolarHBondContact O-N 3.13Å; K197-D201 PolarHBondContact O-N 3.31Å
198Q45.6Very low41.7Very low159 Ų15999.5 Ų99.574%0.74356%0.56SS**Hα-helixtrans-61.9-23-177.8-166.2170.68.600113.6Y196Y196-Q198 VanDerWaalsContact C-N 3.3Å; Y196-Q198 PolarHBondContact O-N 3.01Å
199T42.4Very low41.6Very low54 Ų5499.3 Ų99.333%0.33157%0.565SS.*Hα-helixtrans-89.9-22.4173.7-18.30000112.7V34 Y196 K197V34-T199 HydrophobicContact CG2-CG2 3.99Å; V34-T199 VanDerWaalsContact CG2-O 3.26Å; V34-T199 WeakPolarHBondContact CG2-O 3.41Å; Y196-T199 PolarHBondContact O-N 3.27Å; Y196-T199 VanDerWaalsContact O-N 3.13Å; K197-T199 PolarHBondContact O-N 3.27Å; K197-T199 VanDerWaalsContact O-N 3.11Å
200I52.4Low41.6Very low10 Ų1096.6 Ų96.65%0.05156%0.561CS.*Hα-helixtrans-81.4-31.4176.9-67.2-177.6000111.6I86 Y196 K197 E202 V203 Q204I86-I200 HydrophobicContact CB-CD1 3.99Å; I86-I200 HydrophobicContact CB-CG2 4.05Å; I86-I200 HydrophobicContact CG2-CD1 3.78Å; Y196-I200 HydrophobicContact CD2-CD1 3.42Å; Y196-I200 VanDerWaalsContact CD2-CD1 3.42Å; Y196-I200 HydrophobicContact CD2-CG1 4.28Å; Y196-I200 HydrophobicContact CE2-CD1 3.76Å; Y196-I200 PolarHBondContact O-N 2.95Å; K197-I200 PolarHBondContact O-N 3.13Å; I200-E202 PolarHBondContact O-N 2.85Å; I200-V203 WeakPolarHBondContact O-CA 3.36Å; I200-V203 WeakPolarHBondContact O-CB 3.37Å; I200-V203 PolarHBondContact O-N 3.16Å; I200-Q204 HydrophobicContact CG2-CG 4.21Å; I200-Q204 PolarHBondContact O-N 2.91Å; I200-Q204 VanDerWaalsContact O-N 3.11Å
201D42.5Very low41.6Very low82 Ų82100.5 Ų100.544%0.43956%0.555SS.*Hα-helixtrans-56.7-33.5177.6-67.9-37.6000112.2K197 V203 Q204 T205K197-D201 PolarHBondContact O-N 3.31Å; D201-V203 VanDerWaalsContact C-N 3.28Å; D201-V203 PolarHBondContact O-N 3.25Å; D201-Q204 PolarHBondContact O-N 3.11Å; D201-T205 PolarHBondContact O-N 3.03Å; D201-T205 VanDerWaalsContact O-N 3.08Å; D201-T205 PolarHBondContact O-OG1 3.23Å
202E48.3Very low41.1Very low154 Ų154104 Ų10472%0.7257%0.566SS**Hα-helixtrans-63.3-29.9172.9-74-163.3134.700113.5I200I200-E202 PolarHBondContact O-N 2.85Å
203V49.3Very low40.7Very low24 Ų24106.5 Ų106.515%0.14557%0.57CS.*Hα-helixtrans-80.3-32.6176.1-173.60000110.8V34 I200 D201V34-V203 HydrophobicContact CB-CG2 4.24Å; V34-V203 HydrophobicContact CG1-CG2 3.98Å; V34-V203 HydrophobicContact CG2-CG2 3.94Å; I200-V203 WeakPolarHBondContact O-CA 3.36Å; I200-V203 WeakPolarHBondContact O-CB 3.37Å; I200-V203 PolarHBondContact O-N 3.16Å; D201-V203 VanDerWaalsContact C-N 3.28Å; D201-V203 PolarHBondContact O-N 3.25Å
204Q47Very low39.9Very low82 Ų82107.2 Ų107.238%0.38357%0.574SS.*Hα-helixtrans-80.8-19.9-177.7-74.6176.7-32.400114.6I200 D201 C206I200-Q204 HydrophobicContact CG2-CG 4.21Å; I200-Q204 PolarHBondContact O-N 2.91Å; I200-Q204 VanDerWaalsContact O-N 3.11Å; D201-Q204 PolarHBondContact O-N 3.11Å; Q204-C206 PolarHBondContact O-N 3.07Å
205T35.3Very low39.9Very low112 Ų112112.5 Ų112.569%0.68759%0.586SS**  trans-78.359.6-173.3-52.10000113.6D201D201-T205 PolarHBondContact O-N 3.03Å; D201-T205 VanDerWaalsContact O-N 3.08Å; D201-T205 PolarHBondContact O-OG1 3.23Å
206C32.3Very low39.4Very low76 Ų76111.3 Ų111.351%0.51458%0.584SS.*  trans-144.160.5172.6-82.60000111.5K41 Q204K41-C206 PolarHBondContact NZ-SG 3.21Å; Q204-C206 PolarHBondContact O-N 3.07Å
207S29.7Very low39.2Very low110 Ų110115.8 Ų115.877%0.76961%0.614SS**  trans-101.9129.5166.4-175.70000109.8E209S207-E209 PolarHBondContact O-N 3.19Å
208P38.1Very low38.8Very low98 Ų98115.8 Ų115.864%0.63662%0.622SS**  trans-85.8100.1-177.833.2-32.4000111.2V210P208-V210 VanDerWaalsContact C-N 3.26Å; P208-V210 HydrophobicContact CB-CG2 4.28Å; P208-V210 PolarHBondContact O-N 3.49Å
209E36.7Very low38.5Very low147 Ų147117 Ų11769%0.68763%0.627SS**  trans-74.881.1167.4-161.5-176.1134.600110S207 K211S207-E209 PolarHBondContact O-N 3.19Å; E209-K211 VanDerWaalsContact C-N 3.34Å; E209-K211 PolarHBondContact O-N 3.29Å; E209-K211 WeakPolarHBondContact OE1-CE 3.28Å; E209-K211 IonicContact OE1-NZ 3.79Å; E209-K211 PolarHBondContact OE1-NZ 3.16Å
210V33.9Very low38.4Very low122 Ų122121.4 Ų121.474%0.73965%0.654SS**  trans-72.788.1174.9-177.40000109.4P208 Q212P208-V210 VanDerWaalsContact C-N 3.26Å; P208-V210 HydrophobicContact CB-CG2 4.28Å; P208-V210 PolarHBondContact O-N 3.49Å; V210-Q212 PolarHBondContact O-N 3.41Å
211K35.3Very low37.8Very low162 Ų162127 Ų12770%0.70469%0.688SS**  trans-76.399.3162.8-85.7174.5171.2142.60109.6E209 D213E209-K211 VanDerWaalsContact C-N 3.34Å; E209-K211 PolarHBondContact O-N 3.29Å; E209-K211 WeakPolarHBondContact OE1-CE 3.28Å; E209-K211 IonicContact OE1-NZ 3.79Å; E209-K211 PolarHBondContact OE1-NZ 3.16Å; K211-D213 PolarHBondContact O-N 3.46Å; K211-D213 VanDerWaalsContact O-N 3.12Å
212Q31.9Very low37.6Very low163 Ų163128.2 Ų128.276%0.76270%0.701SS**  trans-75.586.2174.6-176.7179.213.900110.2V210V210-Q212 PolarHBondContact O-N 3.41Å
213D35.8Very low37Very low158 Ų158132.5 Ų132.585%0.84571%0.71SS**  trans-86.5115.8165.3-91.2-36.1000110.5K211K211-D213 PolarHBondContact O-N 3.46Å; K211-D213 VanDerWaalsContact O-N 3.12Å
214Q33Very low36.6Very low153 Ų153136.1 Ų136.172%0.71574%0.737SS**  trans-95.6105.8-175.5-178.2-177.5106.500109.4
215L37.4Very low36.4Very low173 Ų173137.2 Ų137.291%0.90675%0.754SS**  trans-123.891.2168.7-82.4172.4000111.1
216T31Very low36.7Very low114 Ų114136.2 Ų136.270%0.69976%0.756SS**  trans-68.2137.9161.8-36.50000109.5
217V40.5Very low37.3Very low126 Ų126138.5 Ų138.576%0.76477%0.773SS**  trans177.9113.5131.1159.50000109.7
218D37.8Very low38.2Very low152 Ų152138.9 Ų138.981%0.81377%0.773SS**  trans34.3135.5152-61.2-47.4000124.9
219H38Very low38.3Very low185 Ų185139.2 Ų139.286%0.85678%0.778SS**  trans-77.2131.5166.9-62.5-85.5000112.6
220T40.8Very low38.6Very low146 Ų146139 Ų13990%0.89678%0.781SS**  -156.9140.8127.8-16.80000112.6
221V40.3Very low38.8Very low128 Ų128140.3 Ų140.378%0.77678%0.779SS**  trans-118.3167.3173.4-127.80000106.3
222P38.2Very low38.9Very low108 Ų108140.8 Ų140.870%0.70178%0.784SS**  cis-144.91703.642.7-23.4000118.6
223R34Very low39.4Very low243 Ų243142.6 Ų142.692%0.91779%0.792SS**  trans53.9115.2134.6-173.7-172.7-157.9177.26.8120.5
224S41.5Very low39.4Very low101 Ų101141.9 Ų141.971%0.70679%0.787SS**  -171.5138.9113-163.60000115.5
225S42.8Very low39.9Very low105 Ų105141.1 Ų141.173%0.73479%0.793SS**  trans45.9118.714362.50000123.1
226A42.5Very low39.8Very low90 Ų90139.2 Ų139.274%0.74478%0.784SS**  142.897.6103.500000115.8
227S45.1Very low40.3Very low124 Ų124143.2 Ų143.287%0.86779%0.794SS**  trans49.8154.7132.6-59.70000124.6
228P48.1Very low40.1Very low118 Ų118141.6 Ų141.677%0.76679%0.788SS**  trans-121.1179.6-154.943.4-30.5000115.3
229S40.4Very low40.3Very low105 Ų105143.8 Ų143.873%0.73479%0.794SS**  trans-171.1131.9156.2-86.80000115.3
230L42.4Very low40.1Very low143 Ų143141.2 Ų141.275%0.74979%0.791SS**  trans57.9152.9138.5-50.3175.2000119.5
231Q39.1Very low40.1Very low149 Ų149142 Ų14270%0.69679%0.788SS**  cis-160.9130.2-9.3-110.6160-2000105.5
232Q36.3Very low40.2Very low173 Ų173141.1 Ų141.181%0.80879%0.787SS**  66.9107.290.3-172174.474.100116.1
233E41.9Very low40Very low200 Ų200141.4 Ų141.494%0.93579%0.792SS**  trans-151.8163.3138.3-140.8173.610800111.3
234L36.4Very low40.6Very low144 Ų144135.6 Ų135.675%0.75479%0.786SS**  trans-141.9145.2-158.1-172.996000109.4
235V43Very low40.3Very low137 Ų137136.2 Ų136.283%0.8379%0.786SS**  trans-171.4140.1140.7136.30000111.6
236N35.2Very low39.8Very low133 Ų133139.6 Ų139.671%0.71180%0.796SS**  trans-83.1157.7-178.3-69.3-30.9000113.4
237Q41.5Very low39.5Very low197 Ų197140.8 Ų140.892%0.92179%0.794SS**  -150.5151.1128.5-117.916686.900111.7
238S36.8Very low38.7Very low92 Ų92139.3 Ų139.364%0.64379%0.789SS**  trans-134.3135.9-155.553.30000112.5
239H42.7Very low38.2Very low199 Ų199140.6 Ų140.692%0.92179%0.794SS**  trans-143.8125.6154.8-77.7-62.9000111.8
240T32.9Very low38.2Very low130 Ų130144.1 Ų144.180%0.79880%0.799SS**  trans-86.9150.9176.1450000112
241I41.6Very low37.8Very low162 Ų162143.3 Ų143.383%0.83181%0.805SS**  trans-161.6122.9141-102.7148.4000111.9
242S41.5Very low38.3Very low110 Ų110139 Ų13977%0.76980%0.801SS**  trans46.7116.4146.6-47.10000123.5
243S35.1Very low39Very low115 Ų115135.9 Ų135.980%0.80480%0.796SS**  trans-72.3166.6155.9-14.10000113.1
244P46.4Very low39.8Very low121 Ų121129.8 Ų129.879%0.78677%0.773SS**  trans-119.3111.714333-23.1000112.5
245T33.7Very low41Very low114 Ų114125.9 Ų125.970%0.69976%0.758SS**  trans26.1112.4137.4-410000119.6T247T245-T247 PolarHBondContact O-N 3.27Å
246N32.9Very low41.4Very low176 Ų176121.4 Ų121.494%0.94173%0.726SS**  trans-64.1107.8153.9-92.4-27.3000109.6
247T35.3Very low41.9Very low115 Ų115117 Ų11771%0.70671%0.709SS**PPolyproline II helixtrans-92133170.2-56.20000109.4T245 V249T245-T247 PolarHBondContact O-N 3.27Å; T247-V249 PolarHBondContact O-N 2.98Å
248A30.3Very low42.7Very low92 Ų92113.2 Ų113.276%0.7669%0.691SS**PPolyproline II helixtrans-60.3119.2-175.400000112.4
249V36.9Very low44.1Very low145 Ų145113 Ų11388%0.87968%0.68SS**PPolyproline II helixtrans-78.5125.1166.8-179.90000108.2T247T247-V249 PolarHBondContact O-N 2.98Å
250Q39.7Very low44.7Very low180 Ų180104 Ų10484%0.84164%0.64SS**PPolyproline II helixtrans-68.6150.8-174.6-65.4170.51.100111.6G252Q250-G252 PolarHBondContact O-N 3.23Å
251S34.9Very low45.7Very low126 Ų126102 Ų10288%0.88163%0.632SS**  trans-69.695.3-178.5520000112.2
252G49.9Very low46.6Very low58 Ų58103.7 Ų103.760%0.59863%0.628SS**PPolyproline II helixtrans-70.1160.5158.800000111.6Q250Q250-G252 PolarHBondContact O-N 3.23Å
253P51.3Low46.6Very low108 Ų108104.9 Ų104.970%0.70162%0.621SS**PPolyproline II helixtrans-59.4148.7173.326.3-33.9000110.6S255P253-S255 PolarHBondContact O-N 3.18Å
254P58.6Low47.2Very low72 Ų72105 Ų10547%0.46862%0.619SS.*PPolyproline II helixtrans-61.7126.4-177.9-16.628000110.5Q258 M259P254-Q258 HydrophobicContact CB-CB 4.42Å; P254-M259 HydrophobicContact CB-CE 4.01Å; P254-M259 HydrophobicContact CB-CG 4.11Å; P254-M259 HydrophobicContact CG-CE 4.23Å; P254-M259 WeakPolarHBondContact O-CE 3.28Å
255S60.8Low47.3Very low61 Ų61106.5 Ų106.543%0.42762%0.615SS.*PPolyproline II helixtrans-54140.6170.1170.70000109.8Q35 P253 A257 Q258 M259Q35-S255 PolarHBondContact NE2-OG 3.42Å; P253-S255 PolarHBondContact O-N 3.18Å; S255-A257 PolarHBondContact O-N 3.23Å; S255-Q258 WeakPolarHBondContact O-CA 3.3Å; S255-Q258 WeakPolarHBondContact O-CB 3.49Å; S255-Q258 PolarHBondContact O-N 2.91Å; S255-M259 PolarHBondContact O-N 3.1Å
256W51.2Low47.4Very low44 Ų44110.2 Ų110.217%0.16763%0.625CS.*Hα-helixtrans-48.8-35.9-178.6-166.3-95.6000113.1R49 F50 Q258 M259 A260R49-W256 VanDerWaalsContact C-CZ2 3.45Å; R49-W256 HydrophobicContact CB-CZ2 3.83Å; R49-W256 WeakPolarHBondContact O-CZ2 3.25Å; F50-W256 AromaticContact CD1-CD1 3.56Å; F50-W256 HydrophobicContact CD1-CD2 4.49Å; F50-W256 HydrophobicContact CD1-CG 4.15Å; F50-W256 AromaticContact CD1-NE1 3.62Å; F50-W256 HydrophobicContact CE1-CB 4.36Å; F50-W256 AromaticContact CE1-CD1 3.24Å; F50-W256 AromaticContact CE1-CG 3.84Å; F50-W256 HydrophobicContact CE1-CG 3.84Å; F50-W256 AromaticContact CE1-NE1 3.8Å; F50-W256 AromaticContact CG-NE1 3.82Å; F50-W256 AromaticContact CZ-CD1 3.55Å; F50-W256 HydrophobicContact CZ-CG 4.46Å; W256-Q258 VanDerWaalsContact C-N 3.32Å; W256-Q258 PolarHBondContact O-N 2.96Å; W256-M259 PolarHBondContact O-N 2.89Å; W256-M259 VanDerWaalsContact O-N 3.08Å; W256-A260 WeakPolarHBondContact O-CB 3.48Å; W256-A260 PolarHBondContact O-N 2.82Å
257A45.6Very low47.6Very low41 Ų41105.3 Ų105.334%0.33962%0.616SS.*Hα-helixtrans-58.6-34.7174.500000114.3Q35 S255 S261Q35-A257 HydrophobicContact CG-CB 4.36Å; Q35-A257 VanDerWaalsContact NE2-N 3.19Å; S255-A257 PolarHBondContact O-N 3.23Å; A257-S261 WeakPolarHBondContact O-CB 3.46Å; A257-S261 PolarHBondContact O-N 3.08Å; A257-S261 PolarHBondContact O-OG 2.91Å
258Q59.2Low47.7Very low117 Ų117106 Ų10655%0.54762%0.619SS.*Hα-helixtrans-76-26.7174.3-72.7178.9-35.400113P254 S255 W256 S261P254-Q258 HydrophobicContact CB-CB 4.42Å; S255-Q258 WeakPolarHBondContact O-CA 3.3Å; S255-Q258 WeakPolarHBondContact O-CB 3.49Å; S255-Q258 PolarHBondContact O-N 2.91Å; W256-Q258 VanDerWaalsContact C-N 3.32Å; W256-Q258 PolarHBondContact O-N 2.96Å; Q258-S261 PolarHBondContact O-OG 3.26Å
259M65Low48.2Very low86 Ų86107.1 Ų107.142%0.42462%0.619SS.*Hα-helixtrans-78.2-36.2171.2-54.9-156.9-147.200111.1R49 P254 S255 W256R49-M259 PolarHBondContact NH1-O 3.16Å; P254-M259 HydrophobicContact CB-CE 4.01Å; P254-M259 HydrophobicContact CB-CG 4.11Å; P254-M259 HydrophobicContact CG-CE 4.23Å; P254-M259 WeakPolarHBondContact O-CE 3.28Å; S255-M259 PolarHBondContact O-N 3.1Å; W256-M259 PolarHBondContact O-N 2.89Å; W256-M259 VanDerWaalsContact O-N 3.08Å
260A54.9Low48.2Very low10 Ų10106.9 Ų106.98%0.08361%0.613CS.*Hα-helixtrans-70-34.2178.600000113.4R49 W256 R262R49-A260 VanDerWaalsContact CZ-O 3.29Å; R49-A260 PolarHBondContact NH1-O 2.81Å; R49-A260 VanDerWaalsContact NH1-O 3.09Å; W256-A260 WeakPolarHBondContact O-CB 3.48Å; W256-A260 PolarHBondContact O-N 2.82Å; A260-R262 VanDerWaalsContact C-N 3.32Å; A260-R262 PolarHBondContact O-N 2.73Å
261S55.4Low48.2Very low89 Ų89104.3 Ų104.362%0.62261%0.61SS**SBendtrans-74.3-18.4179.164.20000114.2A257 Q258 Q263A257-S261 WeakPolarHBondContact O-CB 3.46Å; A257-S261 PolarHBondContact O-N 3.08Å; A257-S261 PolarHBondContact O-OG 2.91Å; Q258-S261 PolarHBondContact O-OG 3.26Å; S261-Q263 PolarHBondContact O-N 3.21Å; S261-Q263 VanDerWaalsContact O-N 3.14Å
262R59.6Low48.6Very low198 Ų198106.7 Ų106.775%0.74761%0.607SS**  trans-71.1109173.1-70.4179.2-177.6-107.81.4109.6R49 A260R49-R262 PolarHBondContact NH1-O 3.49Å; R49-R262 PolarHBondContact NH2-O 3.48Å; A260-R262 VanDerWaalsContact C-N 3.32Å; A260-R262 PolarHBondContact O-N 2.73Å
263Q42.8Very low47.8Very low135 Ų135108.3 Ų108.363%0.63161%0.614SS**  trans-74143.8162.2-68.1-175.5-4.300109.4S261 H265S261-Q263 PolarHBondContact O-N 3.21Å; S261-Q263 VanDerWaalsContact O-N 3.14Å; Q263-H265 VanDerWaalsContact C-N 3.28Å; Q263-H265 PolarHBondContact O-N 3.4Å; Q263-H265 PolarHBondContact OE1-CE1 3.36Å
264P46.1Very low47.5Very low117 Ų117109.2 Ų109.276%0.7662%0.62SS**  trans-73.284.9167.631-33000109.4Q266P264-Q266 PolarHBondContact O-N 3.11Å
265H48.8Very low46.8Very low152 Ų152115.9 Ų115.970%0.70464%0.642SS**  trans-65.3121168.2-59.9-57.9000109Q263 G267Q263-H265 VanDerWaalsContact C-N 3.28Å; Q263-H265 PolarHBondContact O-N 3.4Å; Q263-H265 PolarHBondContact OE1-CE1 3.36Å; H265-G267 PolarHBondContact O-N 3.02Å
266Q35.3Very low45.8Very low193 Ų193116.4 Ų116.490%0.90266%0.657SS**  trans-65.992.8176.6-69.9176.4-12.200110.1P264 V268P264-Q266 PolarHBondContact O-N 3.11Å; Q266-V268 PolarHBondContact O-N 3.18Å
267G37.5Very low45.5Very low72 Ų72122.9 Ų122.974%0.74269%0.694SS**  trans-87.598.7176.900000111.7H265H265-G267 PolarHBondContact O-N 3.02Å
268V38.3Very low45.3Very low130 Ų130131.4 Ų131.479%0.78872%0.717SS**  trans-66.7128174.9-1640000109.7Q266 N270Q266-V268 PolarHBondContact O-N 3.18Å; V268-N270 PolarHBondContact O-N 3.39Å
269P40.5Very low44.6Very low116 Ų116131.4 Ų131.475%0.75372%0.721SS**  trans-76.598.3177.530-32.7000110.1
270N36.6Very low43.5Very low140 Ų140134.4 Ų134.475%0.74974%0.739SS**  trans-84.3114.7174.2-167.214.1000110.6V268V268-N270 PolarHBondContact O-N 3.39Å
271T39.5Very low42.9Very low126 Ų126137.5 Ų137.577%0.77376%0.764SS**  trans-80.5119.6-175.9-44.30000111.4
272Q43.2Very low42.3Very low175 Ų175140.6 Ų140.682%0.81877%0.774SS**  trans-129.5119.4162.3-71.7-168.46.700110.8
273A34.4Very low41.6Very low92 Ų92136.7 Ų136.776%0.7677%0.772SS**PPolyproline II helixtrans-102.1141.4176.700000111
274P44.8Very low41.7Very low127 Ų127134.5 Ų134.583%0.82577%0.771SS**PPolyproline II helixtrans-103.8143.2157.129.9-19.4000112.4
275K44.5Very low41.5Very low213 Ų213137.8 Ų137.893%0.92678%0.777SS**PPolyproline II helixtrans-73.9150.6-170.3-59.1152.2178.71750113.9
276G39.6Very low41.2Very low72 Ų72141.6 Ų141.674%0.74279%0.786SS**  trans95.5139.416200000114.3
277L44.3Very low41.4Very low179 Ų179141.2 Ų141.294%0.93778%0.784SS**  cis-134.6159.624.3-100.167.8000114.3
278R41.7Very low41.9Very low221 Ų221144.6 Ų144.683%0.83479%0.791SS**  trans-38.7159.4155.4-81.8169.7123.1168.31.5114.8
279N44.3Very low42.1Very low116 Ų116143 Ų14362%0.6279%0.785SS**  cis-165.6156.926-112.8-7.4000111.4
280N41.5Very low42.6Very low150 Ų150145.4 Ų145.480%0.80279%0.792SS**  trans55150149.3-72.210.8000121.9
281A43.5Very low42.8Very low74 Ų74146.1 Ų146.161%0.61279%0.791SS**  cis-170.9168.2-1500000110.8
282N41.1Very low43.5Very low155 Ų155151.7 Ų151.783%0.82980%0.798SS**  trans70140162.1-76.28.3000118.7
283V46Very low43.8Very low116 Ų116151.2 Ų151.270%0.70380%0.795SS**  cis-174.9155.991210000110.3
284S45.4Very low44.1Very low89 Ų89157.9 Ų157.962%0.62280%0.801SS**  trans53.5119.116360.40000120.1
285E40Very low44Very low186 Ų186156.8 Ų156.887%0.86980%0.802SS**  82.5109.655.6-74.2-178.9151.100115.5
286Y44.4Very low43.9Very low232 Ų232149.9 Ų149.991%0.9179%0.791SS**  trans-153125.913433.5-94.8000110.7
287E39Very low44.4Very low184 Ų184154 Ų15486%0.8680%0.795SS**  trans-77.5161.3175.8-58.2169.598.800111.8
288T47.2Very low44.6Very low143 Ų143156.3 Ų156.388%0.87779%0.792SS**  -159133.9126-65.50000109.1
289S43.3Very low45.5Very low96 Ų96151.5 Ų151.567%0.67179%0.789SS**  trans-95.8161.6-173.750.90000113.6
290N51.1Low46.1Very low167 Ų167151.6 Ų151.689%0.89380%0.796SS**  trans-160.1109.7149.3-120.1-34.6000111.8
291E40.5Very low46.5Very low156 Ų156150.8 Ų150.873%0.72980%0.796SS**  trans-92.6141173.6-67.9175.48100111.7
292R53.6Low46.8Very low243 Ų243155 Ų15592%0.91781%0.809SS**  trans-14786.6149.2-74.8-156.7176.3-179.20.5113.8
293H49Very low46.9Very low164 Ų164150.5 Ų150.576%0.75980%0.798SS**  38.3121.4125.5-78.2-171000122.5
294R41.9Very low47.2Very low233 Ų233150.6 Ų150.688%0.87980%0.804SS**  101.790119-161.2175-166.3160.64.3121.5
295A41.8Very low47.3Very low104 Ų104154.8 Ų154.886%0.8681%0.814SS**  41.3131.3120.600000123.9
296G43.3Very low47.6Very low67 Ų67156.6 Ų156.669%0.69181%0.813SS**  trans168.897.2158.300000112
297L49.6Very low47.8Very low158 Ų158150.7 Ų150.783%0.82780%0.801SS**  93.1103.585.1-81.3170.8000116.6
298R49.4Very low48.1Very low228 Ų228152.3 Ų152.386%0.8680%0.799SS**  trans63.7133.4143.8-64.4-179.2169.6-162.6-4123.5
299P59.9Low48Very low121 Ų121150.2 Ų150.279%0.78679%0.79SS**  trans-108.7164.1143.238.4-29.8000112.2
300P58Low48Very low117 Ų117154.7 Ų154.776%0.7680%0.803SS**  -159.6157.9109.539.2-19.4000119.3
301V48.3Very low47.9Very low134 Ų134150.3 Ų150.381%0.81280%0.797SS**  trans45.5124.9133.6-175.50000122.5
302D49.7Very low48.4Very low163 Ų163148.7 Ų148.787%0.87280%0.8SS**  168.6163.8104.5-1587.4000113.9
303G44.8Very low47.9Very low59 Ų59147.7 Ų147.761%0.60880%0.797SS**  trans128.586.8144.300000122.7
304S52.2Low47.9Very low118 Ų118147.2 Ų147.283%0.82580%0.795SS**  trans68.895.7131.7-58.90000125.4
305Q47.3Very low47.8Very low178 Ų178145.6 Ų145.683%0.83280%0.797SS**  20.6154.2124.4-65.2-172-2.600126
306R44.9Very low48.2Very low223 Ų223144.5 Ų144.584%0.84280%0.795SS**  trans81.6147.6147.8-86.7-170.2158-169.8-3.5119.2
307V48.8Very low48Very low108 Ų108150.5 Ų150.566%0.65581%0.806SS**  cis-169.8150.2-2198.80000113.4
308R44.8Very low47.7Very low219 Ų219147.7 Ų147.783%0.82680%0.799SS**  trans65.2118.3152.6-72.1175.1-171.5-173.9-1.2124.6
309S45.6Very low47.3Very low99 Ų99148 Ų14869%0.69280%0.8SS**  94.1121.8108.476.60000124.5
310M43.5Very low46.3Very low189 Ų189145.9 Ų145.993%0.93180%0.8SS**  74.5119.9128.4-68.2-85.7-82.500121.3
311G48.2Very low45.5Very low76 Ų76148.9 Ų148.978%0.78481%0.808SS**  trans163.5114.8153.600000114.8
312P51.6Low45.2Very low121 Ų121147.5 Ų147.579%0.78680%0.804SS**  trans-131128.5166.535.7-21.3000114
313R43.6Very low44.7Very low223 Ų223148.1 Ų148.184%0.84280%0.802SS**  trans-174.5148.6147.7-120.5-176.3149.8160-8.5115.8
314Q47.9Very low44.7Very low154 Ų154150.8 Ų150.872%0.7281%0.806SS**  trans84.3107.3149.9-70.7172.9123.600121.1
315Q41.5Very low43.9Very low199 Ų199152.1 Ų152.193%0.9380%0.804SS**  trans12134.5135.7-71.5169.9-23.400120.2
316G49.9Very low43.2Very low80 Ų80153.5 Ų153.583%0.82580%0.803SS**  trans-154.8121.7151.900000110.1
317E37.7Very low43Very low194 Ų194149.4 Ų149.491%0.90780%0.803SS**  trans-85.6130.4172.9-65171.599.300110.4
318S45.1Very low42.7Very low98 Ų98152.1 Ų152.169%0.68581%0.809SS**  trans-179.3128.8143-90.90000114.6
319R40.6Very low42.7Very low236 Ų236149.1 Ų149.189%0.89181%0.809SS**  trans57.5105.8137-61.3178.5173.5134-0.4119.6
320G37.5Very low42.6Very low75 Ų75151.7 Ų151.777%0.77382%0.815SS**  92.311810700000118.2
321I41.2Very low42.4Very low180 Ų180153.4 Ų153.492%0.92381%0.811SS**  trans-141.5146.3148.70.7177.7000108.9
322S43Very low42Very low106 Ų106155.5 Ų155.574%0.74181%0.808SS**  trans-102.3167.6-158520000114.5
323E38.4Very low41.6Very low176 Ų176156.2 Ų156.282%0.82281%0.81SS**  trans-50.8152.6167.8-62.7166.2107.400113
324V45.4Very low41.5Very low115 Ų115150.2 Ų150.270%0.69780%0.803SS**  trans-123.2104.7168.1-175.70000107.8Y326V324-Y326 HydrophobicContact CG1-CD2 3.69Å; V324-Y326 HydrophobicContact CG1-CE2 3.37Å
325N35.9Very low41.2Very low146 Ų146154.5 Ų154.578%0.78181%0.812SS**  trans-111.7120.6176.2-132.2-19.1000107.7
326Y31.3Very low41Very low206 Ų206148.3 Ų148.381%0.80880%0.802SS**  trans-107.5104.2178.8-85.1-75.5000110.8V324V324-Y326 HydrophobicContact CG1-CD2 3.69Å; V324-Y326 HydrophobicContact CG1-CE2 3.37Å
327T40.8Very low40.9Very low137 Ų137152.9 Ų152.984%0.8481%0.807SS**  trans-121.8121155.7410000108.1
328Q43.6Very low41.1Very low166 Ų166147.9 Ų147.978%0.77680%0.799SS**  trans-131.790.9171.9-168.5168.613.100109.6
329D43.5Very low41.8Very low155 Ų155148.9 Ų148.983%0.82980%0.803SS**  trans-55.5135.9158.8-86.7-58.5000109.5
330N44.1Very low41.9Very low153 Ų153149.8 Ų149.882%0.81881%0.807SS**  trans-136.3120165.3-145.72.3000109.4
331R39.3Very low42.3Very low225 Ų225149.6 Ų149.685%0.84981%0.805SS**  trans-140.6160.3-171-140.7178.7-168.1173.55.6109.8
332V41Very low42.5Very low120 Ų120146.7 Ų146.773%0.72780%0.8SS**  trans87.6128.3163.3-144.40000118.6
333T42.3Very low42.5Very low136 Ų136145 Ų14583%0.83480%0.799SS**  trans77151.8164.374.70000119.3
334S41.1Very low42.9Very low97 Ų97147.1 Ų147.168%0.67881%0.806SS**  cis-175.9145.3-36.7-170.80000108
335R41.7Very low42.7Very low245 Ų245145.3 Ų145.393%0.92581%0.811SS**  trans66.7142.7178.8-49.5168.3171.4175.3-5113.8
336G37.8Very low43.2Very low69 Ų69142.1 Ų142.171%0.71181%0.813SS**  cis145.8107.5-4.500000111.1
337N47.8Very low43.8Very low175 Ų175138.1 Ų138.194%0.93682%0.815SS**  trans-171.3142.8157-114.5-2.7000111.9
338A42.5Very low44.3Very low89 Ų89137 Ų13774%0.73681%0.813SS**  trans-139.4150.1162.200000107.3
339P58.7Low44.4Very low119 Ų119141.2 Ų141.277%0.77382%0.822SS**  -151.3140.9111.535-17.1000117.3
340R42.2Very low44.5Very low255 Ų255137.9 Ų137.996%0.96282%0.824SS**  trans28.6129.1133.4-62.4-177.4169.7-154-3.9122.4
341G46.5Very low44.6Very low71 Ų71134.8 Ų134.873%0.73283%0.828SS**  trans161.5145.314000000111.6
342S45.4Very low45Very low119 Ų119127.7 Ų127.783%0.83283%0.825SS**  cis168.2133.6-21.941.60000108
343G42.9Very low45.4Very low70 Ų70134.3 Ų134.372%0.72284%0.837SS**  trans84.9148178.700000114.1
344F46.7Very low45.7Very low221 Ų221132 Ų13297%0.96984%0.839SS**  cis-147.4169.4-2.2-83.2-96.7000108.1
345G42.4Very low46.1Very low77 Ų77131.3 Ų131.379%0.79485%0.848SS**  cis146.581.9-5.300000113.9
346G45.3Very low46.5Very low80 Ų80132.1 Ų132.183%0.82585%0.851SS**  trans-172.8134.6179.300000114.5
347S44.2Very low47Very low121 Ų121132.8 Ų132.885%0.84686%0.858SS**  trans-135.4144.3-173.9-54.20000112.9
348S51Low47Very low114 Ų114128.1 Ų128.180%0.79785%0.851SS**  trans174.9119.3145.8-81.20000108.8
349R46.1Very low47.3Very low255 Ų255133 Ų13396%0.96286%0.864SS**  85.2110.164.4-86.6-169167.2-170.3-2.2114.4
350G45.8Very low46.8Very low85 Ų85131.3 Ų131.388%0.87687%0.868SS**  trans140.5132.7166.100000112.1
351G45.3Very low47.1Very low88 Ų88127.6 Ų127.691%0.90787%0.867SS**  cis147.299.2-9.900000114.2
352G47.8Very low47.3Very low75 Ų75128 Ų12877%0.77387%0.871SS**  trans128.5123.6171.600000112.1
353R50.8Low47.4Very low260 Ų260128 Ų12898%0.98187%0.871SS**  cis89.3119.239-82.6-163.4168.2-161.4-1.1115.2
354G48.7Very low48.2Very low86 Ų86133.8 Ų133.889%0.88788%0.882SS**  trans106.1134.1167.100000113.3
355G49.5Very low48.2Very low83 Ų83127.3 Ų127.386%0.85688%0.877SS**  cis-160.2176.11.500000113.1
356R50.2Low48.6Very low262 Ų262126.9 Ų126.999%0.98987%0.873SS**  trans-95.5153.9-174.8-90.6175.6157.4-167.4-4113.2
357G47.5Very low48.9Very low83 Ų83135.4 Ų135.486%0.85688%0.88SS**  trans140.1138.5158.400000111.9
358G48.4Very low49.2Very low78 Ų78133 Ų13380%0.80487%0.874SS**  cis-164.7164.2-3.400000110.5
359L49.2Very low49.5Very low192 Ų192133.6 Ų133.6100%1.00588%0.878SS**  trans-83.8149.1-177.6-67.6159.8000111.7
360G47.9Very low49.8Very low82 Ų82125.3 Ų125.385%0.84587%0.872SS**  trans-165.393171.700000112
361N47.1Very low50.3Low178 Ų178125.8 Ų125.895%0.95287%0.868SS**  trans-106.6129.9176.1-154.319.9000108.6
362G50.4Low50.9Low78 Ų78128 Ų12880%0.80486%0.863SS**  trans-148.1111.1-173.300000112.5
363S48.4Very low51Low121 Ų121132 Ų13285%0.84687%0.867SS**  trans-114.2133.3177.6171.10000109.6
364M58.7Low51.4Low191 Ų191124.8 Ų124.894%0.94185%0.854SS**  trans-172129.4156.7-113.1174.9-173.600114.4
365G46.9Very low52Low84 Ų84132.3 Ų132.387%0.86686%0.856SS**  trans78.7138.8153.700000118.2
366G50.6Low52.4Low69 Ų69139.5 Ų139.571%0.71186%0.857SS**  cis133.1135.3-7.800000114.2
367R51.8Low53Low259 Ų259133 Ų13398%0.97785%0.847SS**  trans82.1136.5-175.7-52.9167.2174.9-116.6-4.5113
368G50.9Low53.9Low69 Ų69138.7 Ų138.771%0.71187%0.873SS**  cis10913321.400000109.2
369S57.5Low54.1Low127 Ų127141.8 Ų141.889%0.88888%0.877SS**  cis-166.9154.119.3-58.70000112.6
370G52.5Low54.4Low81 Ų81139.1 Ų139.184%0.83587%0.87SS**  trans72.5161.8152.300000119.3
371A55.7Low54.8Low96 Ų96142.3 Ų142.379%0.79387%0.872SS**  cis-163.5138.6-1200000112.7
372V57.5Low55.2Low134 Ų134140.2 Ų140.281%0.81287%0.867SS**  trans52.799142.1-172.70000121.1
373N50.9Low55.5Low159 Ų159144.1 Ų144.185%0.8587%0.871SS**  51.2161.9107.8-100.22.9000123.3
374P59.9Low56Low109 Ų109145.6 Ų145.671%0.70887%0.872SS**  trans-124.7-175.9-139.142.8-27.6000114.4
375R60.3Low55.8Low244 Ų244142.4 Ų142.492%0.92187%0.868SS**  trans-155.5138.4153.1-118.9169.3-170.5-127.51.8114.9
376R57.4Low56.5Low233 Ų233146.8 Ų146.888%0.87987%0.868SS**  trans-96.7140.9168.7-179.6-172.9-168.7-132.97.6107.9
377T63.8Low56.9Low126 Ų126153.3 Ų153.377%0.77388%0.881SS**  trans159.2109.3142.943.70000111.6
378S65.1Low57.4Low203 Ų203143.7 Ų143.7100%1.4287%0.872SS**  trans-177.30135.4-74.50000107

Retrieved 378 of 378 residues in 274.6 ms (Link to these results)

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