A0A060Y8Z4_ONCMY Loading...

Nucleoside diphosphate kinase homolog 5

AlphaFold DB , UniProt , Accession A0A060Y8Z4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 231 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
1M34.6Very low36.1Very low242 Ų242167.5 Ų167.5100%1.19286%0.855SS**  0120.60-81.6176.6-152.800108.9
2N32.7Very low36.4Very low163 Ų163161 Ų16187%0.87285%0.846SS**  trans44.3113.9154.3-70-13000122.8
3L33.2Very low36.2Very low140 Ų140160 Ų16073%0.73384%0.841SS**  trans-54159.6142.1-90.2153.8000111.7L5L3-L5 HydrophobicContact CD2-CD1 4.19Å; L3-L5 HydrophobicContact CD2-CG 4.48Å
4P43.2Very low36.4Very low124 Ų124157.2 Ų157.281%0.80583%0.834SS**  -139145.290.830.6-12.7000115.7
5L39.4Very low36.1Very low148 Ų148156.3 Ų156.378%0.77583%0.825SS**  trans-59.5135.4163.5-74.2105.2000111.8L3L3-L5 HydrophobicContact CD2-CD1 4.19Å; L3-L5 HydrophobicContact CD2-CG 4.48Å
6K38.8Very low36.1Very low209 Ų209155.6 Ų155.691%0.90982%0.822SS**  trans-141122144.8-76.6-166.5178.1178.40111
7R38.5Very low35.8Very low216 Ų216158.4 Ų158.482%0.81582%0.821SS**  trans-46.5138165.9-73.3170.7166.9-176.3-5.2111.4
8L35.6Very low35.9Very low165 Ų165159.8 Ų159.886%0.86482%0.823SS**  trans-143.4101.3140.9-86.3170.8000108.1
9F33.8Very low35.9Very low187 Ų187157.9 Ų157.982%0.8282%0.819SS**  trans-71.6128.1157.2-78.3-94.3000106.8
10T34.3Very low36Very low134 Ų134156.2 Ų156.282%0.82282%0.818SS**  trans-129.2118167.97.50000108
11S33.3Very low36.4Very low114 Ų114158.8 Ų158.880%0.79782%0.823SS**  trans-45.7125.8-177.8-69.60000113.7
12A39Very low36.9Very low90 Ų90153.3 Ų153.374%0.74480%0.799SS**  trans-75.3118.4146.500000107V14A12-V14 PolarHBondContact O-N 3.01Å
13N34.2Very low37.4Very low148 Ų148153.6 Ų153.679%0.79180%0.795SS**  trans-58.3105.5169.1-87-13.3000108.8M15N13-M15 PolarHBondContact O-N 3.34Å
14V38.7Very low37.8Very low121 Ų121154.6 Ų154.673%0.73380%0.798SS**  trans-76.2107.9159.41800000105.1A12 D16A12-V14 PolarHBondContact O-N 3.01Å; V14-D16 PolarHBondContact O-N 2.94Å; V14-D16 VanDerWaalsContact O-N 3.08Å
15M32.7Very low37.9Very low144 Ų144154.7 Ų154.771%0.70979%0.787SS**  trans-66104168.6-70.1-83.2-92.100106.8N13 Y17N13-M15 PolarHBondContact O-N 3.34Å; M15-Y17 VanDerWaalsContact C-N 3.34Å; M15-Y17 HydrophobicContact CB-CD2 4.46Å; M15-Y17 HydrophobicContact CB-CE2 4.34Å; M15-Y17 PolarHBondContact O-N 3.08Å
16D35.4Very low38Very low144 Ų144152.4 Ų152.477%0.7778%0.783SS**  trans-62.797.7168.6-74.3-36.2000108.1V14 E18V14-D16 PolarHBondContact O-N 2.94Å; V14-D16 VanDerWaalsContact O-N 3.08Å; D16-E18 PolarHBondContact O-N 3.03Å
17Y31.3Very low38.1Very low204 Ų204148.1 Ų148.180%0.878%0.777SS**  trans-72.285163.3-82.8-89.6000107.7M15 T19M15-Y17 VanDerWaalsContact C-N 3.34Å; M15-Y17 HydrophobicContact CB-CD2 4.46Å; M15-Y17 HydrophobicContact CB-CE2 4.34Å; M15-Y17 PolarHBondContact O-N 3.08Å; Y17-T19 PolarHBondContact O-N 2.97Å
18E38.2Very low38.7Very low183 Ų183145.6 Ų145.686%0.85577%0.767SS**  trans-59.1108.8159.7-81.1-172.6153.900108.1D16 P20D16-E18 PolarHBondContact O-N 3.03Å; E18-P20 WeakPolarHBondContact O-CD 3.48Å
19T35.1Very low39.6Very low124 Ų124144.9 Ų144.976%0.76176%0.763SS**  trans-69.4122.4172.410.90000107.6Y17 K21Y17-T19 PolarHBondContact O-N 2.97Å; T19-K21 PolarHBondContact O-N 2.86Å
20P37.2Very low41Very low123 Ų123141.6 Ų141.680%0.79975%0.746SS**  trans-66.9112.8179.717.6-18.4000109E18 N22E18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-N22 PolarHBondContact O-N 2.94Å
21K45.3Very low43.2Very low212 Ų212138 Ų13892%0.92272%0.724SS**  trans-70.575.5167.4-73.9-177.4-178.61740109T19T19-K21 PolarHBondContact O-N 2.86Å
22N45.3Very low45.9Very low127 Ų127133.4 Ų133.468%0.67969%0.69SS**  trans-138.166161.8-144.812000109.7P20 M24P20-N22 PolarHBondContact O-N 2.94Å; N22-M24 PolarHBondContact O-N 3.01Å
23Q44.1Very low48.5Very low168 Ų168132.4 Ų132.479%0.78567%0.667SS**  trans-69.286.2156.5-89-177.9-9.300107.1H25Q23-H25 PolarHBondContact O-N 2.81Å
24M41.3Very low51.6Low162 Ų162125.3 Ų125.380%0.79863%0.629SS**  trans-5991160.3-70.2-109.3-9900106.8N22 S26N22-M24 PolarHBondContact O-N 3.01Å; M24-S26 PolarHBondContact O-N 3.34Å; M24-S26 VanDerWaalsContact O-N 3.12Å
25H43.7Very low54.4Low125 Ų125119.6 Ų119.658%0.57959%0.594SS**  trans-57.1117.8166.5-92.264.1000106.1Q23Q23-H25 PolarHBondContact O-N 2.81Å
26S42.5Very low57.5Low100 Ų100112.7 Ų112.770%0.69956%0.56SS**  trans-43.7130165.8-55.40000107.7M24 R28M24-S26 PolarHBondContact O-N 3.34Å; M24-S26 VanDerWaalsContact O-N 3.12Å; S26-R28 PolarHBondContact O-N 3.12Å
27P41.6Very low60.5Low119 Ų119105.9 Ų105.977%0.77352%0.524SS*.  trans-58.3108.1-179.622.3-30.5000106.7I29P27-I29 PolarHBondContact O-N 3.5Å
28R50.5Low63.8Low163 Ų16396.2 Ų96.262%0.61549%0.486SS*.  trans-64.4108.5172.7-74.9-170.2179.8-175.15.2104.9S26 Y30 M172S26-R28 PolarHBondContact O-N 3.12Å; R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.04Å; R28-M172 VanDerWaalsContact CZ-CE 3.48Å; R28-M172 PolarHBondContact NH1-SD 2.9Å; R28-M172 PolarHBondContact NH2-SD 2.62Å; R28-M172 VanDerWaalsContact NH2-SD 3.39Å
29I53.5Low66.6Low151 Ų15188 Ų8877%0.77445%0.447SS*.  trans-67.997.7173.4-57.6177.6000105.5P27 V31P27-I29 PolarHBondContact O-N 3.5Å; I29-V31 HydrophobicContact CG2-CG2 4.01Å; I29-V31 PolarHBondContact O-N 3.13Å
30Y64.3Low69.7Low118 Ų11883.1 Ų83.146%0.46342%0.418SS..  trans-73.3111.4171-179.8-91.8000107.3R28 E32 P169R28-Y30 VanDerWaalsContact C-N 3.3Å; R28-Y30 PolarHBondContact O-N 3.04Å; Y30-E32 HydrophobicContact CE1-CB 4.5Å; Y30-P169 HydrophobicContact CE2-CB 4.32Å; Y30-P169 HydrophobicContact CE2-CG 4.05Å
31V80.1Confident72.6Confident58 Ų5879.2 Ų79.235%0.35239%0.39SS..  trans-96.6119.8173.4-176.20000107.2I29 A104 R105I29-V31 HydrophobicContact CG2-CG2 4.01Å; I29-V31 PolarHBondContact O-N 3.13Å; V31-A104 HydrophobicContact CG1-CB 3.98Å; V31-R105 VanDerWaalsContact CG1-C 3.48Å
32E89.9Confident75.1Confident18 Ų1869.1 Ų69.18%0.08435%0.346CS..EExtended strand (participates in β ladder)trans-59.4147.4178.4-177.4-179.6-161.700110.6Y30 A104 R105 Q107 A108 I109 F151Y30-E32 HydrophobicContact CE1-CB 4.5Å; E32-A104 WeakPolarHBondContact O-CA 3.39Å; E32-R105 PolarHBondContact N-O 3.02Å; E32-R105 PolarHBondContact O-N 2.84Å; E32-R105 VanDerWaalsContact O-N 3.09Å; E32-Q107 WeakPolarHBondContact OE2-CA 3.27Å; E32-A108 HydrophobicContact CB-CB 4.09Å; E32-A108 HydrophobicContact CG-CB 4Å; E32-A108 WeakPolarHBondContact O-CB 3.43Å; E32-A108 PolarHBondContact OE2-N 2.69Å; E32-I109 HydrophobicContact CG-CG1 4.34Å; E32-I109 WeakPolarHBondContact OE1-CB 3.21Å; E32-I109 WeakPolarHBondContact OE1-CD1 3.36Å; E32-I109 WeakPolarHBondContact OE1-CG1 3.38Å; E32-F151 HydrophobicContact CB-CE1 4.2Å; E32-F151 VanDerWaalsContact CD-CZ 3.42Å; E32-F151 HydrophobicContact CG-CD1 4.06Å; E32-F151 HydrophobicContact CG-CE1 3.42Å; E32-F151 VanDerWaalsContact CG-CE1 3.42Å; E32-F151 HydrophobicContact CG-CZ 4.07Å; E32-F151 WeakPolarHBondContact OE1-CE1 3.23Å; E32-F151 WeakPolarHBondContact OE1-CZ 3.44Å
33R94.3Very high77.6Confident68 Ų6864.2 Ų64.226%0.25732%0.32SS..EExtended strand (participates in β ladder)trans-125.2149-178.6-56.5174.2-171.9144.40.5110.5L61 L103 A104 A154 I158 I167R33-L61 HydrophobicContact CG-CD1 4.12Å; R33-L103 CarbonylContact C-O 3.56Å; R33-L103 WeakPolarHBondContact CA-O 3.19Å; R33-A104 HydrophobicContact CG-CB 4.38Å; R33-A154 WeakPolarHBondContact O-CB 3.33Å; R33-I158 HydrophobicContact CB-CD1 3.95Å; R33-I167 VanDerWaalsContact NH1-C 3.28Å; R33-I167 PolarHBondContact NH1-O 2.96Å
34T97.9Very high80.1Confident0 Ų064.4 Ų64.40%032%0.32CS..EExtended strand (participates in β ladder)trans-141.3151.3175.9-170.30000110.4F58 L103 A108 W112T34-F58 HydrophobicContact CG2-CE1 4.35Å; T34-L103 HydrophobicContact CG2-CB 3.95Å; T34-L103 HydrophobicContact CG2-CD1 4.41Å; T34-L103 PolarHBondContact N-O 3.32Å; T34-L103 PolarHBondContact O-N 2.88Å; T34-A108 HydrophobicContact CG2-CB 4.14Å; T34-W112 HydrophobicContact CG2-CB 3.94Å; T34-W112 HydrophobicContact CG2-CG 4.21Å
35L98.4Very high82.8Confident0 Ų059.9 Ų59.90%030%0.297CS..EExtended strand (participates in β ladder)trans-84.5131167.6-175.772.5000109L37 F76 A100 G147 S148 E157 I158 M161 F162L35-L37 HydrophobicContact CD1-CD2 4.12Å; L35-L37 HydrophobicContact CD2-CD1 4.33Å; L35-L37 HydrophobicContact CD2-CD2 3.78Å; L35-L37 HydrophobicContact CD2-CG 3.93Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.27Å; L35-F76 HydrophobicContact CD2-CE2 3.88Å; L35-F76 HydrophobicContact CD2-CZ 3.72Å; L35-A100 HydrophobicContact CD1-CB 4.4Å; L35-G147 WeakPolarHBondContact O-CA 3.36Å; L35-S148 WeakPolarHBondContact CB-OG 3.46Å; L35-S148 PolarHBondContact N-OG 3.47Å; L35-S148 PolarHBondContact O-N 3.22Å; L35-E157 HydrophobicContact CB-CB 4.1Å; L35-E157 HydrophobicContact CD2-CB 3.62Å; L35-E157 HydrophobicContact CD2-CG 4.46Å; L35-E157 HydrophobicContact CG-CB 4.47Å; L35-I158 HydrophobicContact CB-CG1 3.99Å; L35-I158 HydrophobicContact CD1-CG1 4.4Å; L35-M161 HydrophobicContact CD1-CB 4.18Å; L35-M161 HydrophobicContact CD1-CG 3.97Å; L35-M161 HydrophobicContact CD2-CG 3.87Å; L35-F162 HydrophobicContact CD1-CE2 4.03Å
36A98.7Very high85.4Confident0 Ų054.3 Ų54.30%027%0.273CS..EExtended strand (participates in β ladder)trans-112133.3161.400000109.4L101 L103 W112 H146A36-L101 HydrophobicContact CB-CB 4.24Å; A36-L101 PolarHBondContact N-O 3.14Å; A36-L101 PolarHBondContact O-N 2.86Å; A36-L103 HydrophobicContact CB-CD1 3.54Å; A36-L103 HydrophobicContact CB-CG 3.98Å; A36-W112 HydrophobicContact CB-CD2 4.32Å; A36-W112 VanDerWaalsContact CB-CE2 3.49Å; A36-W112 HydrophobicContact CB-CH2 4.21Å; A36-W112 HydrophobicContact CB-CZ2 3.43Å; A36-W112 VanDerWaalsContact CB-CZ2 3.43Å; A36-H146 WeakPolarHBondContact CA-O 3.47Å
37L98.6Very high88Confident0 Ų057.2 Ų57.20%028%0.275CS..EExtended strand (participates in β ladder)trans-114.5137.7166.5-52.2176.2000109.7L35 F76 M93 I98 I99 A100 V145 H146 M161L35-L37 HydrophobicContact CD1-CD2 4.12Å; L35-L37 HydrophobicContact CD2-CD1 4.33Å; L35-L37 HydrophobicContact CD2-CD2 3.78Å; L35-L37 HydrophobicContact CD2-CG 3.93Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.27Å; L37-F76 HydrophobicContact CD1-CE1 3.86Å; L37-F76 HydrophobicContact CD1-CZ 3.86Å; L37-M93 HydrophobicContact CD1-CE 4.27Å; L37-I98 HydrophobicContact CD1-CD1 4.48Å; L37-I98 HydrophobicContact CD2-CD1 4.41Å; L37-I99 CarbonylContact C-O 3.56Å; L37-I99 WeakPolarHBondContact CA-O 3.34Å; L37-A100 HydrophobicContact CD2-CB 3.53Å; L37-V145 CarbonylContact O-C 3.48Å; L37-V145 WeakPolarHBondContact O-CA 3.28Å; L37-H146 HydrophobicContact CB-CB 3.88Å; L37-H146 HydrophobicContact CD1-CB 4.07Å; L37-H146 HydrophobicContact CG-CB 4.11Å; L37-H146 PolarHBondContact N-O 2.74Å; L37-H146 VanDerWaalsContact N-O 3.1Å; L37-H146 PolarHBondContact O-N 3.18Å; L37-M161 HydrophobicContact CD1-CE 3.91Å; L37-M161 HydrophobicContact CD2-CE 3.98Å; L37-M161 HydrophobicContact CD2-CG 4.34Å; L37-M161 HydrophobicContact CD2-SD 4.23Å
38I98.8Very high90.8Very high1 Ų156.2 Ų56.21%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-96.3116.5161.2-52.4176.4000106.4A42 A46 I49 E50 I98 I99 L101I38-A42 HydrophobicContact CG2-CB 3.96Å; I38-A42 WeakPolarHBondContact CG2-O 3.33Å; I38-A46 HydrophobicContact CD1-CB 4.01Å; I38-I49 HydrophobicContact CD1-CB 4.13Å; I38-I49 HydrophobicContact CD1-CG2 3.87Å; I38-I49 HydrophobicContact CG1-CG2 4.12Å; I38-I49 HydrophobicContact CG2-CD1 4.1Å; I38-E50 HydrophobicContact CD1-CG 4.33Å; I38-I98 WeakPolarHBondContact O-CA 3.47Å; I38-I98 WeakPolarHBondContact O-CB 3.31Å; I38-I99 HydrophobicContact CB-CB 4.2Å; I38-I99 HydrophobicContact CD1-CB 4.42Å; I38-I99 HydrophobicContact CD1-CG2 4.47Å; I38-I99 PolarHBondContact N-O 3.48Å; I38-I99 PolarHBondContact O-N 2.99Å; I38-L101 HydrophobicContact CD1-CD1 4.41Å
39K98.6Very high93Very high10 Ų1048.5 Ų48.54%0.04323%0.231CC..  trans-78.1167.2-173.2-66.8-172.5173.7-172.10111.6D41 A42 I43 F92 M93 N143 A144K39-D41 WeakPolarHBondContact CB-OD1 3.48Å; K39-D41 PolarHBondContact O-N 3.36Å; K39-D41 VanDerWaalsContact O-N 3.14Å; K39-A42 PolarHBondContact O-N 3.13Å; K39-I43 PolarHBondContact O-N 2.95Å; K39-F92 HydrophobicContact CB-CE1 4.44Å; K39-F92 HydrophobicContact CB-CZ 4.46Å; K39-F92 HydrophobicContact CD-CE1 4.06Å; K39-M93 HydrophobicContact CB-SD 4.37Å; K39-M93 HydrophobicContact CD-SD 3.85Å; K39-M93 HydrophobicContact CG-CE 4.3Å; K39-M93 HydrophobicContact CG-SD 3.81Å; K39-N143 WeakPolarHBondContact CE-OD1 3.13Å; K39-N143 PolarHBondContact NZ-OD1 3.19Å; K39-A144 WeakPolarHBondContact CB-O 3.46Å; K39-A144 PolarHBondContact N-O 3.05Å
40P98.6Very high95.2Very high23 Ų2342.4 Ų42.415%0.14920%0.2CC..G310 helixtrans-58.6-31-174.5-26.437.1000114.2A42 F92 P97 I98P40-A42 VanDerWaalsContact C-N 3.29Å; P40-A42 PolarHBondContact O-N 3.39Å; P40-F92 HydrophobicContact CB-CE2 4.35Å; P40-P97 WeakPolarHBondContact CA-O 3.39Å; P40-I98 HydrophobicContact CG-CG2 3.81Å
41D98.3Very high96.8Very high41 Ų4141 Ų4122%0.21920%0.2CC..G310 helixtrans-70.3-20.3179.159.7-39.7000114.1K39 F92 R142 N143 A144K39-D41 WeakPolarHBondContact CB-OD1 3.48Å; K39-D41 PolarHBondContact O-N 3.36Å; K39-D41 VanDerWaalsContact O-N 3.14Å; D41-F92 HydrophobicContact CB-CE2 4.32Å; D41-F92 HydrophobicContact CB-CZ 3.97Å; D41-F92 WeakPolarHBondContact OD1-CZ 3.29Å; D41-R142 HydrophobicContact CB-CB 4.29Å; D41-R142 VanDerWaalsContact OD2-CA 3.22Å; D41-R142 WeakPolarHBondContact OD2-CA 3.36Å; D41-R142 WeakPolarHBondContact OD2-CB 3.32Å; D41-R142 VanDerWaalsContact OD2-O 3.14Å; D41-N143 PolarHBondContact OD2-N 2.79Å; D41-A144 PolarHBondContact OD2-N 3.34Å
42A98.3Very high97.7Very high0 Ų039.7 Ų39.70%019%0.191CC..G310 helixtrans-115.911.6-176.900000113.8I38 K39 P40 H44 Q45 A46 I49 A144I38-A42 HydrophobicContact CG2-CB 3.96Å; I38-A42 WeakPolarHBondContact CG2-O 3.33Å; K39-A42 PolarHBondContact O-N 3.13Å; P40-A42 VanDerWaalsContact C-N 3.29Å; P40-A42 PolarHBondContact O-N 3.39Å; A42-H44 PolarHBondContact O-N 3.2Å; A42-Q45 PolarHBondContact O-N 3.34Å; A42-A46 PolarHBondContact O-N 3.5Å; A42-I49 HydrophobicContact CB-CD1 4.02Å; A42-A144 HydrophobicContact CB-CB 3.5Å; A42-A144 VanDerWaalsContact CB-CB 3.5Å
43I97.3Very high98.1Very high24 Ų2438.9 Ų38.912%0.12319%0.187CC..G310 helixtrans-58.7-34.7-178.7-90.1-65000112.7K39 Q45 A46 P97 I99K39-I43 PolarHBondContact O-N 2.95Å; I43-Q45 PolarHBondContact O-N 3.45Å; I43-A46 VanDerWaalsContact O-CB 3.26Å; I43-A46 WeakPolarHBondContact O-CB 3.12Å; I43-A46 PolarHBondContact O-N 3.04Å; I43-P97 HydrophobicContact CG1-CG 4.43Å; I43-P97 WeakPolarHBondContact CG1-O 3.19Å; I43-I99 HydrophobicContact CD1-CB 4.48Å; I43-I99 HydrophobicContact CD1-CD1 3.69Å; I43-I99 HydrophobicContact CD1-CG1 3.66Å
44H97.3Very high98.2Very high172 Ų17239.8 Ų39.880%0.79620%0.197SC*.G310 helixtrans-72.5-16.9179.8-62.6-64.4000112.9A42A42-H44 PolarHBondContact O-N 3.2Å
45Q98.3Very high98.2Very high66 Ų6648.8 Ų48.831%0.30823%0.231SC..G310 helixtrans-10210.9177.4-64.472.735.100111.8A42 I43 E47 E48 I49 Y136A42-Q45 PolarHBondContact O-N 3.34Å; I43-Q45 PolarHBondContact O-N 3.45Å; Q45-E47 PolarHBondContact O-N 3.32Å; Q45-E48 PolarHBondContact O-N 3.44Å; Q45-I49 HydrophobicContact CB-CD1 4.13Å; Q45-I49 HydrophobicContact CB-CG1 4.45Å; Q45-I49 WeakPolarHBondContact O-CG1 3.44Å; Q45-I49 PolarHBondContact O-N 3.4Å; Q45-Y136 HydrophobicContact CB-CD1 4.06Å; Q45-Y136 HydrophobicContact CB-CE1 4.13Å; Q45-Y136 HydrophobicContact CG-CD1 3.85Å; Q45-Y136 HydrophobicContact CG-CE1 4.04Å
46A97.9Very high98.1Very high9 Ų950.4 Ų50.47%0.07424%0.242CC..Hα-helixtrans-59.4-42.7-171.400000113.6I38 A42 I43 E48 I49 E50 I99I38-A46 HydrophobicContact CD1-CB 4.01Å; A42-A46 PolarHBondContact O-N 3.5Å; I43-A46 VanDerWaalsContact O-CB 3.26Å; I43-A46 WeakPolarHBondContact O-CB 3.12Å; I43-A46 PolarHBondContact O-N 3.04Å; A46-E48 PolarHBondContact O-N 3.27Å; A46-I49 PolarHBondContact O-N 3.4Å; A46-E50 WeakPolarHBondContact O-CB 3.29Å; A46-E50 VanDerWaalsContact O-CG 3.29Å; A46-E50 WeakPolarHBondContact O-CG 3.32Å; A46-E50 PolarHBondContact O-N 2.97Å; A46-I99 HydrophobicContact CB-CD1 3.45Å; A46-I99 VanDerWaalsContact CB-CD1 3.45Å
47E98.1Very high97.8Very high160 Ų16052.8 Ų52.875%0.74827%0.266SS*.Hα-helixtrans-61.8-44.6178.4-66.2-179.1178.600111.4Q45 I49 E50 D51Q45-E47 PolarHBondContact O-N 3.32Å; E47-I49 PolarHBondContact O-N 3.34Å; E47-E50 PolarHBondContact O-N 3.1Å; E47-D51 PolarHBondContact O-N 3.35Å
48E98.4Very high97.7Very high99 Ų9953 Ų5346%0.46327%0.268SS..Hα-helixtrans-64.8-41.8178-169.1-171.9166.500112.1Q45 A46 D51 I52 Y136Q45-E48 PolarHBondContact O-N 3.44Å; A46-E48 PolarHBondContact O-N 3.27Å; E48-D51 PolarHBondContact O-N 2.89Å; E48-I52 WeakPolarHBondContact O-CG1 3.48Å; E48-I52 PolarHBondContact O-N 3.3Å; E48-Y136 PolarHBondContact OE1-OH 2.84Å
49I98.6Very high97.5Very high0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-64.5-41.7176.6-68168000110.6I38 A42 Q45 A46 E47 I52 I53 L132 Y136 V145I38-I49 HydrophobicContact CD1-CB 4.13Å; I38-I49 HydrophobicContact CD1-CG2 3.87Å; I38-I49 HydrophobicContact CG1-CG2 4.12Å; I38-I49 HydrophobicContact CG2-CD1 4.1Å; A42-I49 HydrophobicContact CB-CD1 4.02Å; Q45-I49 HydrophobicContact CB-CD1 4.13Å; Q45-I49 HydrophobicContact CB-CG1 4.45Å; Q45-I49 WeakPolarHBondContact O-CG1 3.44Å; Q45-I49 PolarHBondContact O-N 3.4Å; A46-I49 PolarHBondContact O-N 3.4Å; E47-I49 PolarHBondContact O-N 3.34Å; I49-I52 PolarHBondContact O-N 3.46Å; I49-I53 HydrophobicContact CG2-CD1 4.06Å; I49-I53 WeakPolarHBondContact O-CG1 3.43Å; I49-I53 PolarHBondContact O-N 2.9Å; I49-L132 HydrophobicContact CG2-CD1 4.11Å; I49-Y136 HydrophobicContact CD1-CD2 4.16Å; I49-Y136 HydrophobicContact CD1-CE2 4.48Å; I49-Y136 HydrophobicContact CD1-CG 4.42Å; I49-Y136 HydrophobicContact CG1-CD2 4.05Å; I49-Y136 HydrophobicContact CG1-CE2 3.88Å; I49-V145 HydrophobicContact CD1-CG1 4.44Å; I49-V145 HydrophobicContact CG2-CG1 4.44Å
50E98.4Very high97.3Very high24 Ų2458.7 Ų58.711%0.11230%0.301CS..Hα-helixtrans-62.7-41.3175.4-75.5177-149.400111.9I38 A46 E47 I52 I53 L54 K63 L101I38-E50 HydrophobicContact CD1-CG 4.33Å; A46-E50 WeakPolarHBondContact O-CB 3.29Å; A46-E50 VanDerWaalsContact O-CG 3.29Å; A46-E50 WeakPolarHBondContact O-CG 3.32Å; A46-E50 PolarHBondContact O-N 2.97Å; E47-E50 PolarHBondContact O-N 3.1Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 2.9Å; E50-I53 WeakPolarHBondContact O-CB 3.44Å; E50-I53 PolarHBondContact O-N 3.34Å; E50-I53 VanDerWaalsContact O-N 3.15Å; E50-L54 WeakPolarHBondContact O-CG 3.35Å; E50-L54 PolarHBondContact O-N 3.39Å; E50-K63 WeakPolarHBondContact OE1-CE 3.38Å; E50-K63 IonicContact OE1-NZ 3.53Å; E50-K63 PolarHBondContact OE1-NZ 2.99Å; E50-K63 IonicContact OE2-NZ 2.76Å; E50-K63 PolarHBondContact OE2-NZ 3.45Å; E50-L101 HydrophobicContact CG-CD1 4.1Å
51D98.3Very high97Very high89 Ų8961.3 Ų61.348%0.47631%0.313SS..Hα-helixtrans-62.5-36.2173.9-79.8-11.8000112.4E47 E48 R55E47-D51 PolarHBondContact O-N 3.35Å; E48-D51 PolarHBondContact O-N 2.89Å; D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.32Å; D51-R55 VanDerWaalsContact O-CG 3.27Å; D51-R55 WeakPolarHBondContact O-CG 3.38Å; D51-R55 PolarHBondContact O-N 3.22Å; D51-R55 PolarHBondContact O-NE 3.15Å; D51-R55 VanDerWaalsContact O-NE 3.14Å
52I98.4Very high96.9Very high30 Ų3062 Ų6215%0.15432%0.315CS..Hα-helixtrans-66.8-42.6173.7-67164.5000110.5E48 I49 E50 R55 S56 I115 L132 Y136E48-I52 WeakPolarHBondContact O-CG1 3.48Å; E48-I52 PolarHBondContact O-N 3.3Å; I49-I52 PolarHBondContact O-N 3.46Å; E50-I52 VanDerWaalsContact C-N 3.3Å; E50-I52 PolarHBondContact O-N 2.9Å; I52-R55 PolarHBondContact O-N 3.29Å; I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.5Å; I52-S56 PolarHBondContact O-N 3.15Å; I52-S56 PolarHBondContact O-OG 2.97Å; I52-I115 HydrophobicContact CG2-CG2 4.32Å; I52-L132 HydrophobicContact CB-CD2 4.37Å; I52-L132 HydrophobicContact CD1-CD2 3.67Å; I52-L132 HydrophobicContact CG2-CD2 4.01Å; I52-Y136 HydrophobicContact CD1-CE2 4.26Å; I52-Y136 WeakPolarHBondContact CD1-OH 3.23Å
53I98.3Very high96.8Very high0 Ų067.4 Ų67.40%034%0.339CS..Hα-helixtrans-58.3-49.5176.6-71.9165.7000110.4I49 E50 S56 F58 I60 L101 L103 W112I49-I53 HydrophobicContact CG2-CD1 4.06Å; I49-I53 WeakPolarHBondContact O-CG1 3.43Å; I49-I53 PolarHBondContact O-N 2.9Å; E50-I53 WeakPolarHBondContact O-CB 3.44Å; E50-I53 PolarHBondContact O-N 3.34Å; E50-I53 VanDerWaalsContact O-N 3.15Å; I53-S56 WeakPolarHBondContact O-CB 3.41Å; I53-S56 PolarHBondContact O-N 2.82Å; I53-F58 HydrophobicContact CG2-CB 3.66Å; I53-F58 HydrophobicContact CG2-CD2 4.42Å; I53-F58 HydrophobicContact CG2-CG 4.23Å; I53-F58 PolarHBondContact O-N 3.43Å; I53-I60 HydrophobicContact CG2-CG1 4.27Å; I53-L101 HydrophobicContact CD1-CD1 3.61Å; I53-L103 HydrophobicContact CD1-CD1 4.42Å; I53-L103 HydrophobicContact CG2-CD1 3.95Å; I53-L103 HydrophobicContact CG2-CD2 3.75Å; I53-W112 HydrophobicContact CD1-CH2 3.84Å; I53-W112 HydrophobicContact CD1-CZ3 4.02Å; I53-W112 HydrophobicContact CG1-CE3 4.5Å; I53-W112 HydrophobicContact CG1-CH2 3.91Å; I53-W112 HydrophobicContact CG1-CZ3 3.57Å
54L97.3Very high96.7Very high88 Ų8871.6 Ų71.646%0.46135%0.353SS..Hα-helixtrans-64.1-47.5-179.7-68.5173.7000111.8E50 S56 G57 I60E50-L54 WeakPolarHBondContact O-CG 3.35Å; E50-L54 PolarHBondContact O-N 3.39Å; L54-S56 PolarHBondContact O-N 3.37Å; L54-G57 PolarHBondContact O-N 2.87Å; L54-I60 HydrophobicContact CD2-CD1 4.02Å; L54-I60 HydrophobicContact CD2-CG1 4.09Å; L54-I60 HydrophobicContact CG-CD1 4.24Å
55R97.4Very high96.7Very high188 Ų18869.9 Ų69.971%0.70934%0.343SS*.Hα-helixtrans-63.5-25.2176.4-74.6-177.7-70.8-178-3.6113.1D51 I52 G57D51-R55 VanDerWaalsContact O-CB 3.31Å; D51-R55 WeakPolarHBondContact O-CB 3.32Å; D51-R55 VanDerWaalsContact O-CG 3.27Å; D51-R55 WeakPolarHBondContact O-CG 3.38Å; D51-R55 PolarHBondContact O-N 3.22Å; D51-R55 PolarHBondContact O-NE 3.15Å; D51-R55 VanDerWaalsContact O-NE 3.14Å; I52-R55 PolarHBondContact O-N 3.29Å; R55-G57 PolarHBondContact O-N 3.24Å
56S96.2Very high96.6Very high35 Ų3567.8 Ų67.825%0.24533%0.334CS..THydrogen-bonded Turntrans-75.6-5.6174.5-60.50000112.9I52 I53 L54 R105 I115I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.5Å; I52-S56 PolarHBondContact O-N 3.15Å; I52-S56 PolarHBondContact O-OG 2.97Å; I53-S56 WeakPolarHBondContact O-CB 3.41Å; I53-S56 PolarHBondContact O-N 2.82Å; L54-S56 PolarHBondContact O-N 3.37Å; S56-R105 VanDerWaalsContact O-CZ 3.29Å; S56-R105 PolarHBondContact O-NH1 2.85Å; S56-R105 PolarHBondContact O-NH2 3.39Å; S56-I115 VanDerWaalsContact CB-CD1 3.47Å
57G92.6Very high96.6Very high49 Ų4973 Ų7351%0.50536%0.357SS..THydrogen-bonded Turntrans91.616.7176.600000114.6L54 R55L54-G57 PolarHBondContact O-N 2.87Å; R55-G57 PolarHBondContact O-N 3.24Å
58F96.9Very high96.5Very high6 Ų665.9 Ų65.93%0.02632%0.324CS..  trans-82147.6169.8-75.5-88.4000111.4T34 I53 L103 R105 A108 H111 W112 I115T34-F58 HydrophobicContact CG2-CE1 4.35Å; I53-F58 HydrophobicContact CG2-CB 3.66Å; I53-F58 HydrophobicContact CG2-CD2 4.42Å; I53-F58 HydrophobicContact CG2-CG 4.23Å; I53-F58 PolarHBondContact O-N 3.43Å; F58-L103 HydrophobicContact CD1-CB 3.71Å; F58-L103 HydrophobicContact CD1-CD1 4.11Å; F58-L103 HydrophobicContact CE1-CB 4.28Å; F58-L103 HydrophobicContact CE1-CD1 4.43Å; F58-L103 HydrophobicContact CG-CB 4.43Å; F58-L103 HydrophobicContact CG-CD1 4.31Å; F58-R105 HydrophobicContact CD1-CB 3.67Å; F58-R105 HydrophobicContact CD1-CG 4.46Å; F58-R105 HydrophobicContact CE1-CB 3.74Å; F58-R105 HydrophobicContact CE1-CG 4.48Å; F58-R105 HydrophobicContact CG-CB 4.4Å; F58-R105 HydrophobicContact CZ-CB 4.46Å; F58-A108 HydrophobicContact CE1-CB 3.9Å; F58-A108 WeakPolarHBondContact CZ-O 3.24Å; F58-H111 HydrophobicContact CE2-CB 4.14Å; F58-H111 HydrophobicContact CZ-CB 3.69Å; F58-W112 HydrophobicContact CE1-CB 4.43Å; F58-W112 HydrophobicContact CZ-CB 3.94Å; F58-I115 HydrophobicContact CD2-CD1 4.3Å; F58-I115 HydrophobicContact CE2-CD1 3.57Å
59T93Very high96.5Very high85 Ų8563 Ų6352%0.52132%0.315SS..EExtended strand (participates in β ladder)trans-97128.8161.9-58.60000109.1L61 L103 A104T59-L61 HydrophobicContact CG2-CD2 4.14Å; T59-L61 PolarHBondContact O-N 3.29Å; T59-L103 CarbonylContact O-C 3.58Å; T59-L103 WeakPolarHBondContact O-CA 3.44Å; T59-A104 PolarHBondContact N-O 3.41Å; T59-A104 PolarHBondContact O-N 3.33Å
60I95.6Very high96.4Very high45 Ų4566 Ų6623%0.23133%0.334CS..EExtended strand (participates in β ladder)trans-83.4105.5170.9-58.2175.2000107.3I53 L54 K63 L101 L103I53-I60 HydrophobicContact CG2-CG1 4.27Å; L54-I60 HydrophobicContact CD2-CD1 4.02Å; L54-I60 HydrophobicContact CD2-CG1 4.09Å; L54-I60 HydrophobicContact CG-CD1 4.24Å; I60-K63 HydrophobicContact CG2-CB 4.32Å; I60-L101 HydrophobicContact CG2-CD2 4.06Å; I60-L103 HydrophobicContact CB-CD2 4.43Å; I60-L103 HydrophobicContact CG1-CD2 3.8Å
61L93.1Very high96.3Very high78 Ų7870.7 Ų70.741%0.40836%0.356SS..EExtended strand (participates in β ladder)trans-74-41.3178.3-62.6-177.3000111.4R33 T59 A102 A104 I167R33-L61 HydrophobicContact CG-CD1 4.12Å; T59-L61 HydrophobicContact CG2-CD2 4.14Å; T59-L61 PolarHBondContact O-N 3.29Å; L61-A102 HydrophobicContact CB-CB 4.38Å; L61-A102 WeakPolarHBondContact CB-O 3.22Å; L61-A102 PolarHBondContact N-O 2.72Å; L61-A104 HydrophobicContact CD1-CB 3.73Å; L61-A104 HydrophobicContact CD2-CB 3.92Å; L61-A104 HydrophobicContact CG-CB 3.72Å; L61-I167 HydrophobicContact CD1-CG2 4.38Å
62Q94.8Very high96.3Very high55 Ų5570.6 Ų70.626%0.25735%0.353SS..EExtended strand (participates in β ladder)trans-148149-179.1-60.5-165.3-9.800110.7L101 A102 F162 S165 I167Q62-L101 WeakPolarHBondContact O-CA 3.23Å; Q62-A102 HydrophobicContact CB-CB 4.14Å; Q62-A102 PolarHBondContact O-N 2.93Å; Q62-F162 HydrophobicContact CB-CD1 3.95Å; Q62-F162 HydrophobicContact CB-CE1 3.64Å; Q62-F162 HydrophobicContact CB-CZ 4.03Å; Q62-F162 VanDerWaalsContact OE1-CG 3.31Å; Q62-S165 PolarHBondContact NE2-OG 3.17Å; Q62-S165 PolarHBondContact OE1-OG 2.79Å; Q62-I167 VanDerWaalsContact CD-CD1 3.43Å; Q62-I167 HydrophobicContact CG-CD1 4.06Å
63K96.6Very high96.3Very high113 Ų11369.1 Ų69.149%0.49135%0.345SS..EExtended strand (participates in β ladder)trans-136.1135.8177.4172.5173176.2176.90109.4E50 I60 I99 A100 L101E50-K63 WeakPolarHBondContact OE1-CE 3.38Å; E50-K63 IonicContact OE1-NZ 3.53Å; E50-K63 PolarHBondContact OE1-NZ 2.99Å; E50-K63 IonicContact OE2-NZ 2.76Å; E50-K63 PolarHBondContact OE2-NZ 3.45Å; I60-K63 HydrophobicContact CG2-CB 4.32Å; K63-I99 HydrophobicContact CG-CG2 4.18Å; K63-A100 CarbonylContact C-O 3.58Å; K63-A100 WeakPolarHBondContact CA-O 3.41Å; K63-L101 HydrophobicContact CB-CD2 3.65Å; K63-L101 HydrophobicContact CD-CD2 3.92Å; K63-L101 HydrophobicContact CG-CD2 3.56Å
64R95.5Very high96.2Very high113 Ų11370.9 Ų70.943%0.42636%0.358SS..EExtended strand (participates in β ladder)trans-144.1126.3176.3-174.5-179.7177.8-168.5-1.1110.1L66 I99 A100 M161 F162R64-L66 HydrophobicContact CB-CD2 4.46Å; R64-L66 HydrophobicContact CG-CB 4.48Å; R64-L66 HydrophobicContact CG-CD2 4.17Å; R64-L66 WeakPolarHBondContact O-CD2 3.38Å; R64-I99 WeakPolarHBondContact O-CA 3.46Å; R64-A100 PolarHBondContact N-O 2.91Å; R64-A100 PolarHBondContact O-N 2.92Å; R64-M161 PolarHBondContact NH1-O 3.06Å; R64-F162 HydrophobicContact CB-CD1 4.35Å; R64-F162 HydrophobicContact CB-CE1 3.62Å; R64-F162 HydrophobicContact CB-CZ 4.27Å
65K97.5Very high96.2Very high136 Ų13672 Ų7259%0.59136%0.364SS*.EExtended strand (participates in β ladder)trans-91.3128.5165.5-170.9173.6-177.9174.90108.4P97 I98 I99K65-P97 HydrophobicContact CG-CB 4.48Å; K65-I98 WeakPolarHBondContact CA-O 3Å; K65-I99 HydrophobicContact CB-CG1 4.19Å; K65-I99 HydrophobicContact CD-CG1 4.49Å; K65-I99 HydrophobicContact CG-CG1 4.08Å
66L96.1Very high96.1Very high22 Ų2263.7 Ų63.712%0.11533%0.333CS..EExtended strand (participates in β ladder)trans-151.9163.6-17767.3167.5000110.5R64 L68 P97 I98 A100 M161R64-L66 HydrophobicContact CB-CD2 4.46Å; R64-L66 HydrophobicContact CG-CB 4.48Å; R64-L66 HydrophobicContact CG-CD2 4.17Å; R64-L66 WeakPolarHBondContact O-CD2 3.38Å; L66-L68 HydrophobicContact CD1-CD2 3.66Å; L66-L68 HydrophobicContact CD1-CG 4.36Å; L66-L68 HydrophobicContact CG-CD2 4.43Å; L66-P97 CarbonylContact O-C 3.02Å; L66-P97 WeakPolarHBondContact O-CA 3.2Å; L66-I98 HydrophobicContact CD2-CD1 4.13Å; L66-I98 HydrophobicContact CD2-CG1 3.77Å; L66-I98 HydrophobicContact CG-CD1 4.28Å; L66-I98 HydrophobicContact CG-CG1 3.96Å; L66-I98 PolarHBondContact N-O 3.23Å; L66-I98 WeakPolarHBondContact O-CG1 3.05Å; L66-I98 PolarHBondContact O-N 3.23Å; L66-A100 HydrophobicContact CD2-CB 3.95Å; L66-M161 HydrophobicContact CD1-SD 4.09Å
67Q97.4Very high96.1Very high119 Ų11962.8 Ų62.856%0.55632%0.324SS*.  trans-125.3123.2169.7179.7166.8-5.100107.4S94Q67-S94 PolarHBondContact NE2-O 3.26Å
68L96.9Very high96.2Very high9 Ų963.2 Ų63.25%0.04732%0.323CS..  trans-88.3144.2-178.6-64.3179.6000110L66 Q72 C73 S94 I98 F160 M161L66-L68 HydrophobicContact CD1-CD2 3.66Å; L66-L68 HydrophobicContact CD1-CG 4.36Å; L66-L68 HydrophobicContact CG-CD2 4.43Å; L68-Q72 HydrophobicContact CB-CB 4.11Å; L68-Q72 HydrophobicContact CD2-CB 4.16Å; L68-C73 VanDerWaalsContact CB-SG 3.51Å; L68-S94 WeakPolarHBondContact O-CA 3.41Å; L68-S94 WeakPolarHBondContact O-CB 2.98Å; L68-I98 HydrophobicContact CD1-CD1 3.9Å; L68-I98 HydrophobicContact CG-CD1 4.12Å; L68-F160 HydrophobicContact CD2-CE1 4.41Å; L68-M161 HydrophobicContact CD1-CE 3.9Å
69S97.7Very high96Very high40 Ų4068.6 Ų68.628%0.2835%0.348SS..  trans-71161.3167.785.70000110.9E71 Q72 C73S69-E71 WeakPolarHBondContact CB-OE2 3.47Å; S69-E71 PolarHBondContact O-N 2.98Å; S69-E71 PolarHBondContact OG-N 2.86Å; S69-E71 PolarHBondContact OG-OE2 3.48Å; S69-Q72 PolarHBondContact O-N 3.34Å; S69-Q72 VanDerWaalsContact O-N 3.16Å; S69-Q72 PolarHBondContact OG-N 2.6Å; S69-C73 PolarHBondContact O-N 3.01Å
70P96.8Very high96Very high63 Ų6366.7 Ų66.741%0.40933%0.333SS..Hα-helixtrans-54.6-36.5174.2-26.135.2000113.4C73 S74P70-C73 PolarHBondContact O-N 2.9Å; P70-S74 WeakPolarHBondContact O-CB 3.44Å; P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.49Å
71E96.8Very high95.9Very high122 Ų12273.4 Ų73.457%0.5736%0.357SS*.Hα-helixtrans-66-48.9176.6-56.470.8-149.900110.3S69 C73 S74 D75S69-E71 WeakPolarHBondContact CB-OE2 3.47Å; S69-E71 PolarHBondContact O-N 2.98Å; S69-E71 PolarHBondContact OG-N 2.86Å; S69-E71 PolarHBondContact OG-OE2 3.48Å; E71-C73 VanDerWaalsContact C-N 3.3Å; E71-C73 PolarHBondContact O-N 2.97Å; E71-S74 WeakPolarHBondContact O-CA 3.17Å; E71-S74 WeakPolarHBondContact O-CB 3.38Å; E71-S74 PolarHBondContact O-N 3.49Å; E71-D75 PolarHBondContact O-N 3.29Å
72Q97.1Very high95.9Very high86 Ų8673.1 Ų73.140%0.40237%0.373SS..Hα-helixtrans-61.7-37.2176.7-68.4175-32.200112.3L68 S69 S74 F76 F160L68-Q72 HydrophobicContact CB-CB 4.11Å; L68-Q72 HydrophobicContact CD2-CB 4.16Å; S69-Q72 PolarHBondContact O-N 3.34Å; S69-Q72 VanDerWaalsContact O-N 3.16Å; S69-Q72 PolarHBondContact OG-N 2.6Å; Q72-S74 VanDerWaalsContact C-N 3.33Å; Q72-F76 WeakPolarHBondContact O-CB 3.49Å; Q72-F76 PolarHBondContact O-N 3.43Å; Q72-F160 HydrophobicContact CB-CZ 4.38Å; Q72-F160 WeakPolarHBondContact O-CZ 3.33Å
73C97.8Very high95.9Very high0 Ų075 Ų750%038%0.38CS..Hα-helixtrans-64.9-39.3172.5-72.60000111.9L68 S69 P70 E71 F76 Y77 T90 M93 S94L68-C73 VanDerWaalsContact CB-SG 3.51Å; S69-C73 PolarHBondContact O-N 3.01Å; P70-C73 PolarHBondContact O-N 2.9Å; E71-C73 VanDerWaalsContact C-N 3.3Å; E71-C73 PolarHBondContact O-N 2.97Å; C73-F76 PolarHBondContact O-N 3.35Å; C73-Y77 VanDerWaalsContact O-CD2 3.31Å; C73-Y77 WeakPolarHBondContact O-CD2 3.37Å; C73-Y77 PolarHBondContact O-N 2.84Å; C73-T90 HydrophobicContact CB-CG2 4.4Å; C73-M93 HydrophobicContact CB-CB 4.31Å; C73-M93 VanDerWaalsContact SG-C 3.54Å; C73-M93 VanDerWaalsContact SG-CB 3.56Å; C73-S94 PolarHBondContact SG-N 3.31Å
74S96.8Very high95.8Very high37 Ų3778.1 Ų78.126%0.25940%0.401SS..Hα-helixtrans-64.4-43177.7-57.60000111.2P70 E71 Q72 Y77 A78 T90P70-S74 WeakPolarHBondContact O-CB 3.44Å; P70-S74 PolarHBondContact O-N 3Å; P70-S74 PolarHBondContact O-OG 3.49Å; E71-S74 WeakPolarHBondContact O-CA 3.17Å; E71-S74 WeakPolarHBondContact O-CB 3.38Å; E71-S74 PolarHBondContact O-N 3.49Å; Q72-S74 VanDerWaalsContact C-N 3.33Å; S74-Y77 CarbonylContact O-C 3.47Å; S74-Y77 PolarHBondContact O-N 2.95Å; S74-A78 WeakPolarHBondContact O-CA 3.27Å; S74-A78 PolarHBondContact O-N 3.47Å; S74-A78 VanDerWaalsContact O-N 3.08Å; S74-T90 WeakPolarHBondContact OG-CG2 3.32Å
75D96.8Very high95.8Very high110 Ų11077.7 Ų77.759%0.58840%0.402SS*.Hα-helixtrans-63.8-44.7175.4-68.4-20000111.7E71 Y77 A78 F160E71-D75 PolarHBondContact O-N 3.29Å; D75-Y77 VanDerWaalsContact C-N 3.33Å; D75-Y77 PolarHBondContact O-N 3.33Å; D75-A78 WeakPolarHBondContact O-CB 3.46Å; D75-A78 PolarHBondContact O-N 3Å; D75-F160 HydrophobicContact CB-CE2 4.09Å; D75-F160 HydrophobicContact CB-CZ 4.41Å
76F97Very high95.7Very high14 Ų1472.1 Ų72.16%0.06138%0.378CS..Hα-helixtrans-62.2-39.6178.6-178.3-100000112.3L35 L37 Q72 C73 E157 F160 M161L35-F76 HydrophobicContact CD2-CE2 3.88Å; L35-F76 HydrophobicContact CD2-CZ 3.72Å; L37-F76 HydrophobicContact CD1-CE1 3.86Å; L37-F76 HydrophobicContact CD1-CZ 3.86Å; Q72-F76 WeakPolarHBondContact O-CB 3.49Å; Q72-F76 PolarHBondContact O-N 3.43Å; C73-F76 PolarHBondContact O-N 3.35Å; F76-E157 HydrophobicContact CE2-CB 3.87Å; F76-E157 HydrophobicContact CE2-CG 3.71Å; F76-E157 HydrophobicContact CZ-CB 4.26Å; F76-E157 HydrophobicContact CZ-CG 3.88Å; F76-F160 HydrophobicContact CB-CD1 4.36Å; F76-F160 HydrophobicContact CB-CE1 3.92Å; F76-F160 HydrophobicContact CB-CE2 4.46Å; F76-F160 HydrophobicContact CB-CZ 3.97Å; F76-F160 HydrophobicContact CD2-CB 4.38Å; F76-F160 AromaticContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CE1 4.02Å; F76-F160 AromaticContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CE2-CD1 4.44Å; F76-F160 HydrophobicContact CG-CD1 4.4Å; F76-F160 HydrophobicContact CG-CE1 4.36Å; F76-M161 HydrophobicContact CD1-CE 4.37Å; F76-M161 HydrophobicContact CD2-CE 3.54Å; F76-M161 HydrophobicContact CE1-CE 4.27Å; F76-M161 HydrophobicContact CE2-CE 3.4Å; F76-M161 VanDerWaalsContact CE2-CE 3.4Å; F76-M161 HydrophobicContact CE2-CG 4.47Å; F76-M161 HydrophobicContact CG-CE 4.03Å; F76-M161 HydrophobicContact CZ-CE 3.81Å
77Y95.8Very high95.8Very high17 Ų1774.9 Ų74.97%0.06740%0.397CS..THydrogen-bonded Turntrans-97.522.9179.6-69-70.8000113.7C73 S74 D75 E79 Q80 F86 L89 M93C73-Y77 VanDerWaalsContact O-CD2 3.31Å; C73-Y77 WeakPolarHBondContact O-CD2 3.37Å; C73-Y77 PolarHBondContact O-N 2.84Å; S74-Y77 CarbonylContact O-C 3.47Å; S74-Y77 PolarHBondContact O-N 2.95Å; D75-Y77 VanDerWaalsContact C-N 3.33Å; D75-Y77 PolarHBondContact O-N 3.33Å; Y77-E79 PolarHBondContact O-N 3.48Å; Y77-Q80 HydrophobicContact CD1-CG 4.41Å; Y77-Q80 WeakPolarHBondContact O-CA 3.4Å; Y77-Q80 WeakPolarHBondContact O-CB 3.44Å; Y77-Q80 PolarHBondContact O-N 3.2Å; Y77-F86 VanDerWaalsContact O-CE2 3.25Å; Y77-F86 WeakPolarHBondContact O-CE2 3.43Å; Y77-L89 HydrophobicContact CD1-CD2 3.69Å; Y77-L89 HydrophobicContact CD1-CG 4.47Å; Y77-L89 HydrophobicContact CD2-CD2 4.04Å; Y77-L89 HydrophobicContact CD2-CG 4.04Å; Y77-L89 HydrophobicContact CE1-CD1 4.48Å; Y77-L89 HydrophobicContact CE1-CD2 4.06Å; Y77-L89 HydrophobicContact CE2-CD1 4.25Å; Y77-L89 HydrophobicContact CE2-CD2 4.43Å; Y77-L89 HydrophobicContact CE2-CG 4.2Å; Y77-L89 HydrophobicContact CG-CD2 3.67Å; Y77-L89 HydrophobicContact CG-CG 4.19Å; Y77-M93 HydrophobicContact CE2-CB 4.17Å; Y77-M93 HydrophobicContact CE2-CE 4.3Å; Y77-M93 HydrophobicContact CE2-CG 3.63Å; Y77-M93 HydrophobicContact CE2-SD 4.42Å
78A95.1Very high95.8Very high57 Ų5772.3 Ų72.347%0.47139%0.392SS..G310 helixtrans-53.6-32-173.700000114.3S74 D75 Q80 Y81S74-A78 WeakPolarHBondContact O-CA 3.27Å; S74-A78 PolarHBondContact O-N 3.47Å; S74-A78 VanDerWaalsContact O-N 3.08Å; D75-A78 WeakPolarHBondContact O-CB 3.46Å; D75-A78 PolarHBondContact O-N 3Å; A78-Q80 PolarHBondContact O-N 3.27Å; A78-Y81 WeakPolarHBondContact O-CB 3.31Å; A78-Y81 PolarHBondContact O-N 3.22Å
79E92.9Very high95.8Very high120 Ų12072.5 Ų72.556%0.56139%0.393SS*.G310 helixtrans-65.1-16.8175.4-66.8178.2163.600113.9Y77 R156Y77-E79 PolarHBondContact O-N 3.48Å; E79-R156 IonicContact OE1-CZ 2.69Å; E79-R156 IonicContact OE1-NH1 2.74Å; E79-R156 PolarHBondContact OE1-NH1 3.01Å; E79-R156 IonicContact OE1-NH2 2.71Å; E79-R156 PolarHBondContact OE1-NH2 3.35Å; E79-R156 IonicContact OE2-CZ 2.97Å; E79-R156 IonicContact OE2-NH2 2.68Å; E79-R156 PolarHBondContact OE2-NH2 3.23Å
80Q92.9Very high95.8Very high44 Ų4471.2 Ų71.221%0.20638%0.384CS..G310 helixtrans-93.90.3176.3-50.2-55.8-45.500112.4Y77 A78 K83 F85 F86 L89Y77-Q80 HydrophobicContact CD1-CG 4.41Å; Y77-Q80 WeakPolarHBondContact O-CA 3.4Å; Y77-Q80 WeakPolarHBondContact O-CB 3.44Å; Y77-Q80 PolarHBondContact O-N 3.2Å; A78-Q80 PolarHBondContact O-N 3.27Å; Q80-K83 HydrophobicContact CB-CD 4.44Å; Q80-K83 WeakPolarHBondContact O-CB 3.39Å; Q80-K83 WeakPolarHBondContact O-CG 3.4Å; Q80-K83 PolarHBondContact O-N 3.22Å; Q80-F85 HydrophobicContact CB-CE2 4.41Å; Q80-F86 HydrophobicContact CB-CD2 3.8Å; Q80-F86 HydrophobicContact CB-CE2 4.36Å; Q80-F86 WeakPolarHBondContact O-CB 3.34Å; Q80-L89 HydrophobicContact CG-CD2 4.45Å
81Y93.4Very high95.8Very high187 Ų18771 Ų7173%0.73339%0.387SS*.THydrogen-bonded Turntrans-56.2141.4178-175.2-95.6000111.5A78 K83 F86A78-Y81 WeakPolarHBondContact O-CB 3.31Å; A78-Y81 PolarHBondContact O-N 3.22Å; Y81-K83 VanDerWaalsContact C-N 3.28Å; Y81-K83 PolarHBondContact O-N 3.06Å; Y81-F86 HydrophobicContact CD2-CD1 4.25Å; Y81-F86 AromaticContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CZ 4.31Å
82G93.2Very high95.9Very high71 Ų7166 Ų6673%0.73236%0.364SS*.THydrogen-bonded Turntrans82.9-8.5-176.800000115.1
83K94.6Very high95.9Very high96 Ų9662 Ų6242%0.41735%0.345SS..SBendtrans-79.7142.2172.5-60.3-175.5-176.7-178.60110.8Q80 Y81 F85 F86Q80-K83 HydrophobicContact CB-CD 4.44Å; Q80-K83 WeakPolarHBondContact O-CB 3.39Å; Q80-K83 WeakPolarHBondContact O-CG 3.4Å; Q80-K83 PolarHBondContact O-N 3.22Å; Y81-K83 VanDerWaalsContact C-N 3.28Å; Y81-K83 PolarHBondContact O-N 3.06Å; K83-F85 HydrophobicContact CB-CD1 4.04Å; K83-F85 HydrophobicContact CB-CE1 3.73Å; K83-F85 HydrophobicContact CB-CE2 4.44Å; K83-F85 HydrophobicContact CB-CZ 3.95Å; K83-F85 HydrophobicContact CD-CE1 3.57Å; K83-F85 HydrophobicContact CD-CE2 4.31Å; K83-F85 HydrophobicContact CD-CZ 3.35Å; K83-F85 HydrophobicContact CG-CE1 4.22Å; K83-F85 HydrophobicContact CG-CZ 4.28Å; K83-F85 PolarHBondContact O-N 3.02Å; K83-F85 VanDerWaalsContact O-N 3.12Å; K83-F86 WeakPolarHBondContact O-CB 3.42Å; K83-F86 PolarHBondContact O-N 2.85Å
84L94.6Very high96Very high178 Ų17862.9 Ų62.993%0.93235%0.351SS*.THydrogen-bonded Turntrans-56.2-32.8-177.8-68.8173.9000113.6F86L84-F86 VanDerWaalsContact C-N 3.35Å
85F93.7Very high96Very high103 Ų10364.9 Ų64.945%0.45237%0.365SS..THydrogen-bonded Turntrans-83.4-7.5179.964.1-101000114Q80 K83 S88 L89Q80-F85 HydrophobicContact CB-CE2 4.41Å; K83-F85 HydrophobicContact CB-CD1 4.04Å; K83-F85 HydrophobicContact CB-CE1 3.73Å; K83-F85 HydrophobicContact CB-CE2 4.44Å; K83-F85 HydrophobicContact CB-CZ 3.95Å; K83-F85 HydrophobicContact CD-CE1 3.57Å; K83-F85 HydrophobicContact CD-CE2 4.31Å; K83-F85 HydrophobicContact CD-CZ 3.35Å; K83-F85 HydrophobicContact CG-CE1 4.22Å; K83-F85 HydrophobicContact CG-CZ 4.28Å; K83-F85 PolarHBondContact O-N 3.02Å; K83-F85 VanDerWaalsContact O-N 3.12Å; F85-S88 PolarHBondContact O-N 2.9Å; F85-L89 HydrophobicContact CD2-CB 4.4Å; F85-L89 HydrophobicContact CD2-CD2 4.47Å; F85-L89 HydrophobicContact CE2-CD2 4.25Å; F85-L89 PolarHBondContact O-N 2.8Å
86F96.4Very high96.1Very high20 Ų2060.1 Ų60.19%0.08834%0.342CS..Hα-helixtrans-58.7-47.1-173177.9-105.4000113.4Y77 Q80 Y81 K83 L84 S88 L89 T90Y77-F86 VanDerWaalsContact O-CE2 3.25Å; Y77-F86 WeakPolarHBondContact O-CE2 3.43Å; Q80-F86 HydrophobicContact CB-CD2 3.8Å; Q80-F86 HydrophobicContact CB-CE2 4.36Å; Q80-F86 WeakPolarHBondContact O-CB 3.34Å; Y81-F86 HydrophobicContact CD2-CD1 4.25Å; Y81-F86 AromaticContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CE1 3.79Å; Y81-F86 HydrophobicContact CD2-CZ 4.31Å; K83-F86 WeakPolarHBondContact O-CB 3.42Å; K83-F86 PolarHBondContact O-N 2.85Å; L84-F86 VanDerWaalsContact C-N 3.35Å; F86-S88 VanDerWaalsContact C-N 3.28Å; F86-S88 PolarHBondContact O-N 3.39Å; F86-L89 WeakPolarHBondContact O-CB 3.39Å; F86-L89 PolarHBondContact O-N 3.42Å; F86-L89 VanDerWaalsContact O-N 3.13Å; F86-T90 HydrophobicContact CD2-CG2 4.26Å; F86-T90 HydrophobicContact CE1-CG2 4.1Å; F86-T90 HydrophobicContact CE2-CG2 3.84Å; F86-T90 HydrophobicContact CZ-CG2 3.76Å; F86-T90 WeakPolarHBondContact O-CG2 3.44Å; F86-T90 PolarHBondContact O-N 3.34Å; F86-T90 PolarHBondContact O-OG1 3.45Å
87P97.1Very high96.1Very high79 Ų7961.6 Ų61.651%0.51335%0.353SS..Hα-helixtrans-62.2-35.5177.6-2335.1000113.1T90 A91P87-T90 PolarHBondContact O-OG1 2.95Å; P87-A91 VanDerWaalsContact O-CB 3.29Å; P87-A91 WeakPolarHBondContact O-CB 3.45Å; P87-A91 PolarHBondContact O-N 2.63Å
88S97.6Very high96.3Very high65 Ų6560.8 Ų60.846%0.45535%0.35SS..Hα-helixtrans-71.2-34.9176.6-54.60000111.9F85 F86 F92F85-S88 PolarHBondContact O-N 2.9Å; F86-S88 VanDerWaalsContact C-N 3.28Å; F86-S88 PolarHBondContact O-N 3.39Å; S88-F92 WeakPolarHBondContact O-CB 3.26Å; S88-F92 PolarHBondContact O-N 2.91Å
89L96.9Very high96.4Very high13 Ų1358.5 Ų58.57%0.06833%0.329CS..Hα-helixtrans-63.1-48.3174.2177.362.3000111.7Y77 Q80 F85 F86 F92 M93 L141Y77-L89 HydrophobicContact CD1-CD2 3.69Å; Y77-L89 HydrophobicContact CD1-CG 4.47Å; Y77-L89 HydrophobicContact CD2-CD2 4.04Å; Y77-L89 HydrophobicContact CD2-CG 4.04Å; Y77-L89 HydrophobicContact CE1-CD1 4.48Å; Y77-L89 HydrophobicContact CE1-CD2 4.06Å; Y77-L89 HydrophobicContact CE2-CD1 4.25Å; Y77-L89 HydrophobicContact CE2-CD2 4.43Å; Y77-L89 HydrophobicContact CE2-CG 4.2Å; Y77-L89 HydrophobicContact CG-CD2 3.67Å; Y77-L89 HydrophobicContact CG-CG 4.19Å; Q80-L89 HydrophobicContact CG-CD2 4.45Å; F85-L89 HydrophobicContact CD2-CB 4.4Å; F85-L89 HydrophobicContact CD2-CD2 4.47Å; F85-L89 HydrophobicContact CE2-CD2 4.25Å; F85-L89 PolarHBondContact O-N 2.8Å; F86-L89 WeakPolarHBondContact O-CB 3.39Å; F86-L89 PolarHBondContact O-N 3.42Å; F86-L89 VanDerWaalsContact O-N 3.13Å; L89-F92 PolarHBondContact O-N 2.94Å; L89-M93 HydrophobicContact CD1-CG 3.93Å; L89-M93 WeakPolarHBondContact O-CB 3.39Å; L89-M93 VanDerWaalsContact O-CG 3.24Å; L89-M93 WeakPolarHBondContact O-CG 3.48Å; L89-M93 PolarHBondContact O-N 3.36Å; L89-L141 HydrophobicContact CB-CD1 4.1Å; L89-L141 HydrophobicContact CD1-CD1 4.11Å
90T97.8Very high96.7Very high14 Ų1452.8 Ų52.89%0.08630%0.303CS..Hα-helixtrans-65-48.4179.9570000110.7C73 S74 F86 P87 F92 M93 S94C73-T90 HydrophobicContact CB-CG2 4.4Å; S74-T90 WeakPolarHBondContact OG-CG2 3.32Å; F86-T90 HydrophobicContact CD2-CG2 4.26Å; F86-T90 HydrophobicContact CE1-CG2 4.1Å; F86-T90 HydrophobicContact CE2-CG2 3.84Å; F86-T90 HydrophobicContact CZ-CG2 3.76Å; F86-T90 WeakPolarHBondContact O-CG2 3.44Å; F86-T90 PolarHBondContact O-N 3.34Å; F86-T90 PolarHBondContact O-OG1 3.45Å; P87-T90 PolarHBondContact O-OG1 2.95Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.97Å; T90-M93 PolarHBondContact O-N 2.92Å; T90-S94 PolarHBondContact O-N 3.39Å; T90-S94 PolarHBondContact O-OG 2.76Å
91A97.9Very high96.9Very high57 Ų5750.7 Ų50.747%0.47129%0.293SS..Hα-helixtrans-59.1-41.8177.600000112.9P87 S94 S95P87-A91 VanDerWaalsContact O-CB 3.29Å; P87-A91 WeakPolarHBondContact O-CB 3.45Å; P87-A91 PolarHBondContact O-N 2.63Å; A91-S94 PolarHBondContact O-OG 3.09Å; A91-S94 VanDerWaalsContact O-OG 3.11Å; A91-S95 PolarHBondContact O-N 2.87Å
92F98.3Very high97.1Very high19 Ų1941.8 Ų41.88%0.08326%0.258CS..Hα-helixtrans-66.3-47.4177.3169.6-122.4000111.8K39 P40 D41 S88 L89 T90 S94 S95 L141 R142K39-F92 HydrophobicContact CB-CE1 4.44Å; K39-F92 HydrophobicContact CB-CZ 4.46Å; K39-F92 HydrophobicContact CD-CE1 4.06Å; P40-F92 HydrophobicContact CB-CE2 4.35Å; D41-F92 HydrophobicContact CB-CE2 4.32Å; D41-F92 HydrophobicContact CB-CZ 3.97Å; D41-F92 WeakPolarHBondContact OD1-CZ 3.29Å; S88-F92 WeakPolarHBondContact O-CB 3.26Å; S88-F92 PolarHBondContact O-N 2.91Å; L89-F92 PolarHBondContact O-N 2.94Å; T90-F92 VanDerWaalsContact C-N 3.33Å; T90-F92 PolarHBondContact O-N 2.97Å; F92-S94 PolarHBondContact O-N 2.94Å; F92-S95 VanDerWaalsContact O-CB 3.3Å; F92-S95 WeakPolarHBondContact O-CB 3.07Å; F92-S95 PolarHBondContact O-N 3.49Å; F92-S95 PolarHBondContact O-OG 3.14Å; F92-L141 HydrophobicContact CB-CD1 4.37Å; F92-L141 HydrophobicContact CB-CD2 4.01Å; F92-L141 HydrophobicContact CB-CG 4.14Å; F92-L141 HydrophobicContact CD1-CD1 4.21Å; F92-L141 HydrophobicContact CD1-CG 3.88Å; F92-L141 VanDerWaalsContact CE1-O 3.24Å; F92-L141 WeakPolarHBondContact CE1-O 3.38Å; F92-L141 HydrophobicContact CG-CD2 4.35Å; F92-L141 HydrophobicContact CG-CG 4.13Å; F92-R142 HydrophobicContact CD2-CG 4.29Å; F92-R142 HydrophobicContact CE1-CG 4.22Å; F92-R142 HydrophobicContact CE2-CG 3.8Å; F92-R142 HydrophobicContact CZ-CB 4.3Å; F92-R142 HydrophobicContact CZ-CG 3.76Å
93M98.3Very high97.3Very high1 Ų138.4 Ų38.41%0.00522%0.223CC..Hα-helixtrans-67.4-26.4-177.3-71.1-68.7-4900112.8L37 K39 C73 Y77 L89 T90 I98L37-M93 HydrophobicContact CD1-CE 4.27Å; K39-M93 HydrophobicContact CB-SD 4.37Å; K39-M93 HydrophobicContact CD-SD 3.85Å; K39-M93 HydrophobicContact CG-CE 4.3Å; K39-M93 HydrophobicContact CG-SD 3.81Å; C73-M93 HydrophobicContact CB-CB 4.31Å; C73-M93 VanDerWaalsContact SG-C 3.54Å; C73-M93 VanDerWaalsContact SG-CB 3.56Å; Y77-M93 HydrophobicContact CE2-CB 4.17Å; Y77-M93 HydrophobicContact CE2-CE 4.3Å; Y77-M93 HydrophobicContact CE2-CG 3.63Å; Y77-M93 HydrophobicContact CE2-SD 4.42Å; L89-M93 HydrophobicContact CD1-CG 3.93Å; L89-M93 WeakPolarHBondContact O-CB 3.39Å; L89-M93 VanDerWaalsContact O-CG 3.24Å; L89-M93 WeakPolarHBondContact O-CG 3.48Å; L89-M93 PolarHBondContact O-N 3.36Å; T90-M93 PolarHBondContact O-N 2.92Å; M93-I98 HydrophobicContact CE-CD1 4.45Å; M93-I98 HydrophobicContact CE-CG2 3.97Å
94S98Very high97.3Very high18 Ų1834.1 Ų34.113%0.12621%0.206CC..THydrogen-bonded Turntrans-86-7.2173.461.20000114.3Q67 L68 C73 T90 A91 F92 G96Q67-S94 PolarHBondContact NE2-O 3.26Å; L68-S94 WeakPolarHBondContact O-CA 3.41Å; L68-S94 WeakPolarHBondContact O-CB 2.98Å; C73-S94 PolarHBondContact SG-N 3.31Å; T90-S94 PolarHBondContact O-N 3.39Å; T90-S94 PolarHBondContact O-OG 2.76Å; A91-S94 PolarHBondContact O-OG 3.09Å; A91-S94 VanDerWaalsContact O-OG 3.11Å; F92-S94 PolarHBondContact O-N 2.94Å; S94-G96 PolarHBondContact O-N 2.92Å
95S98.3Very high97.1Very high80 Ų8028.5 Ų28.556%0.55917%0.172SC*.SBendtrans-71-14-172.668.90000114.7A91 F92A91-S95 PolarHBondContact O-N 2.87Å; F92-S95 VanDerWaalsContact O-CB 3.3Å; F92-S95 WeakPolarHBondContact O-CB 3.07Å; F92-S95 PolarHBondContact O-N 3.49Å; F92-S95 PolarHBondContact O-OG 3.14Å
96G97.6Very high96.8Very high9 Ų929.4 Ų29.49%0.09318%0.182CC..SBendtrans-171.7-176.8-178.100000112.9S94S94-G96 PolarHBondContact O-N 2.92Å
97P98.2Very high96.6Very high45 Ų4533.6 Ų33.629%0.29220%0.202SC..  trans-66.6149.8179.328-34.1000111.7P40 I43 K65 L66P40-P97 WeakPolarHBondContact CA-O 3.39Å; I43-P97 HydrophobicContact CG1-CG 4.43Å; I43-P97 WeakPolarHBondContact CG1-O 3.19Å; K65-P97 HydrophobicContact CG-CB 4.48Å; L66-P97 CarbonylContact O-C 3.02Å; L66-P97 WeakPolarHBondContact O-CA 3.2Å
98I98.6Very high96.6Very high0 Ų029.8 Ų29.80%018%0.177CC..EExtended strand (participates in β ladder)trans-123.6160.9169.963.8170.9000109.4L37 I38 P40 K65 L66 L68 M93 M161L37-I98 HydrophobicContact CD1-CD1 4.48Å; L37-I98 HydrophobicContact CD2-CD1 4.41Å; I38-I98 WeakPolarHBondContact O-CA 3.47Å; I38-I98 WeakPolarHBondContact O-CB 3.31Å; P40-I98 HydrophobicContact CG-CG2 3.81Å; K65-I98 WeakPolarHBondContact CA-O 3Å; L66-I98 HydrophobicContact CD2-CD1 4.13Å; L66-I98 HydrophobicContact CD2-CG1 3.77Å; L66-I98 HydrophobicContact CG-CD1 4.28Å; L66-I98 HydrophobicContact CG-CG1 3.96Å; L66-I98 PolarHBondContact N-O 3.23Å; L66-I98 WeakPolarHBondContact O-CG1 3.05Å; L66-I98 PolarHBondContact O-N 3.23Å; L68-I98 HydrophobicContact CD1-CD1 3.9Å; L68-I98 HydrophobicContact CG-CD1 4.12Å; M93-I98 HydrophobicContact CE-CD1 4.45Å; M93-I98 HydrophobicContact CE-CG2 3.97Å; I98-M161 HydrophobicContact CD1-CE 4.28Å; I98-M161 HydrophobicContact CD1-SD 4.48Å
99I98.7Very high96.6Very high9 Ų927.2 Ų27.25%0.04616%0.158CC..EExtended strand (participates in β ladder)trans-114.7120.2167.4-66.5164.2000108L37 I38 I43 A46 K63 R64 K65 L101L37-I99 CarbonylContact C-O 3.56Å; L37-I99 WeakPolarHBondContact CA-O 3.34Å; I38-I99 HydrophobicContact CB-CB 4.2Å; I38-I99 HydrophobicContact CD1-CB 4.42Å; I38-I99 HydrophobicContact CD1-CG2 4.47Å; I38-I99 PolarHBondContact N-O 3.48Å; I38-I99 PolarHBondContact O-N 2.99Å; I43-I99 HydrophobicContact CD1-CB 4.48Å; I43-I99 HydrophobicContact CD1-CD1 3.69Å; I43-I99 HydrophobicContact CD1-CG1 3.66Å; A46-I99 HydrophobicContact CB-CD1 3.45Å; A46-I99 VanDerWaalsContact CB-CD1 3.45Å; K63-I99 HydrophobicContact CG-CG2 4.18Å; R64-I99 WeakPolarHBondContact O-CA 3.46Å; K65-I99 HydrophobicContact CB-CG1 4.19Å; K65-I99 HydrophobicContact CD-CG1 4.49Å; K65-I99 HydrophobicContact CG-CG1 4.08Å; I99-L101 HydrophobicContact CG2-CD2 3.85Å; I99-L101 HydrophobicContact CG2-CG 4.1Å
100A98.4Very high96.6Very high0 Ų029 Ų290%018%0.175CC..EExtended strand (participates in β ladder)trans-95.1135.5171.100000110.1L35 L37 K63 R64 L66 M161 F162L35-A100 HydrophobicContact CD1-CB 4.4Å; L37-A100 HydrophobicContact CD2-CB 3.53Å; K63-A100 CarbonylContact C-O 3.58Å; K63-A100 WeakPolarHBondContact CA-O 3.41Å; R64-A100 PolarHBondContact N-O 2.91Å; R64-A100 PolarHBondContact O-N 2.92Å; L66-A100 HydrophobicContact CD2-CB 3.95Å; A100-M161 HydrophobicContact CB-CB 4.03Å; A100-M161 HydrophobicContact CB-CG 4.08Å; A100-M161 HydrophobicContact CB-SD 4.12Å; A100-F162 HydrophobicContact CB-CE2 4.19Å; A100-F162 HydrophobicContact CB-CZ 3.97Å
101L98.4Very high96.6Very high0 Ų031.1 Ų31.10%018%0.184CC..EExtended strand (participates in β ladder)trans-129126.1177.5-55.1172.1000109.2A36 I38 E50 I53 I60 Q62 K63 I99 L103A36-L101 HydrophobicContact CB-CB 4.24Å; A36-L101 PolarHBondContact N-O 3.14Å; A36-L101 PolarHBondContact O-N 2.86Å; I38-L101 HydrophobicContact CD1-CD1 4.41Å; E50-L101 HydrophobicContact CG-CD1 4.1Å; I53-L101 HydrophobicContact CD1-CD1 3.61Å; I60-L101 HydrophobicContact CG2-CD2 4.06Å; Q62-L101 WeakPolarHBondContact O-CA 3.23Å; K63-L101 HydrophobicContact CB-CD2 3.65Å; K63-L101 HydrophobicContact CD-CD2 3.92Å; K63-L101 HydrophobicContact CG-CD2 3.56Å; I99-L101 HydrophobicContact CG2-CD2 3.85Å; I99-L101 HydrophobicContact CG2-CG 4.1Å; L101-L103 HydrophobicContact CB-CD2 3.78Å; L101-L103 HydrophobicContact CB-CG 4.29Å; L101-L103 HydrophobicContact CD1-CD2 4.42Å
102A97.3Very high96.6Very high0 Ų028.4 Ų28.40%016%0.161CC..EExtended strand (participates in β ladder)trans-89.1111.6165.100000108L61 Q62 I158 F162 I167L61-A102 HydrophobicContact CB-CB 4.38Å; L61-A102 WeakPolarHBondContact CB-O 3.22Å; L61-A102 PolarHBondContact N-O 2.72Å; Q62-A102 HydrophobicContact CB-CB 4.14Å; Q62-A102 PolarHBondContact O-N 2.93Å; A102-I158 HydrophobicContact CB-CG2 4.39Å; A102-F162 HydrophobicContact CB-CD2 4.27Å; A102-F162 HydrophobicContact CB-CE2 3.9Å; A102-F162 HydrophobicContact CB-CZ 4.41Å; A102-I167 HydrophobicContact CB-CD1 4.16Å
103L97.4Very high96.6Very high0 Ų031.5 Ų31.50%018%0.175CC..EExtended strand (participates in β ladder)trans-102146.8-176.4-54.6-175.9000110.6R33 T34 A36 I53 F58 T59 I60 L101 W112R33-L103 CarbonylContact C-O 3.56Å; R33-L103 WeakPolarHBondContact CA-O 3.19Å; T34-L103 HydrophobicContact CG2-CB 3.95Å; T34-L103 HydrophobicContact CG2-CD1 4.41Å; T34-L103 PolarHBondContact N-O 3.32Å; T34-L103 PolarHBondContact O-N 2.88Å; A36-L103 HydrophobicContact CB-CD1 3.54Å; A36-L103 HydrophobicContact CB-CG 3.98Å; I53-L103 HydrophobicContact CD1-CD1 4.42Å; I53-L103 HydrophobicContact CG2-CD1 3.95Å; I53-L103 HydrophobicContact CG2-CD2 3.75Å; F58-L103 HydrophobicContact CD1-CB 3.71Å; F58-L103 HydrophobicContact CD1-CD1 4.11Å; F58-L103 HydrophobicContact CE1-CB 4.28Å; F58-L103 HydrophobicContact CE1-CD1 4.43Å; F58-L103 HydrophobicContact CG-CB 4.43Å; F58-L103 HydrophobicContact CG-CD1 4.31Å; T59-L103 CarbonylContact O-C 3.58Å; T59-L103 WeakPolarHBondContact O-CA 3.44Å; I60-L103 HydrophobicContact CB-CD2 4.43Å; I60-L103 HydrophobicContact CG1-CD2 3.8Å; L101-L103 HydrophobicContact CB-CD2 3.78Å; L101-L103 HydrophobicContact CB-CG 4.29Å; L101-L103 HydrophobicContact CD1-CD2 4.42Å; L103-W112 HydrophobicContact CD1-CD2 4.26Å; L103-W112 HydrophobicContact CD1-CE3 4.25Å
104A93.3Very high96.6Very high7 Ų736.1 Ų36.16%0.05820%0.203CC..EExtended strand (participates in β ladder)trans-129.2137.4174.200000112V31 E32 R33 T59 L61V31-A104 HydrophobicContact CG1-CB 3.98Å; E32-A104 WeakPolarHBondContact O-CA 3.39Å; R33-A104 HydrophobicContact CG-CB 4.38Å; T59-A104 PolarHBondContact N-O 3.41Å; T59-A104 PolarHBondContact O-N 3.33Å; L61-A104 HydrophobicContact CD1-CB 3.73Å; L61-A104 HydrophobicContact CD2-CB 3.92Å; L61-A104 HydrophobicContact CG-CB 3.72Å
105R91.7Very high96.6Very high60 Ų6036.6 Ų36.623%0.22620%0.204CC..EExtended strand (participates in β ladder)trans-168.2161.5177.3-166.3-161.6171.9132.49.3109.5V31 E32 S56 F58 A108 H111V31-R105 VanDerWaalsContact CG1-C 3.48Å; E32-R105 PolarHBondContact N-O 3.02Å; E32-R105 PolarHBondContact O-N 2.84Å; E32-R105 VanDerWaalsContact O-N 3.09Å; S56-R105 VanDerWaalsContact O-CZ 3.29Å; S56-R105 PolarHBondContact O-NH1 2.85Å; S56-R105 PolarHBondContact O-NH2 3.39Å; F58-R105 HydrophobicContact CD1-CB 3.67Å; F58-R105 HydrophobicContact CD1-CG 4.46Å; F58-R105 HydrophobicContact CE1-CB 3.74Å; F58-R105 HydrophobicContact CE1-CG 4.48Å; F58-R105 HydrophobicContact CG-CB 4.4Å; F58-R105 HydrophobicContact CZ-CB 4.46Å; R105-A108 HydrophobicContact CB-CB 3.92Å; R105-A108 WeakPolarHBondContact O-CB 3.44Å; R105-H111 VanDerWaalsContact CZ-CE1 3.45Å; R105-H111 VanDerWaalsContact CZ-ND1 3.33Å; R105-H111 PolarHBondContact NE-CD2 3.22Å; R105-H111 PolarHBondContact NH1-ND1 3.47Å; R105-H111 PolarHBondContact NH2-CE1 3.34Å; R105-H111 PolarHBondContact NH2-NE2 2.94Å
106D87.1Confident96.6Very high121 Ų12133 Ų3365%0.64718%0.178SC*.THydrogen-bonded Turntrans-61.2135.7155.7-175.243.1000110.4A108D106-A108 PolarHBondContact O-N 2.94Å
107Q92Very high96.6Very high108 Ų10833.1 Ų33.151%0.50518%0.179SC..THydrogen-bonded Turntrans50.438.6-175.6-61-172.5-4.400113.6E32 I109 A110 H111E32-Q107 WeakPolarHBondContact OE2-CA 3.27Å; Q107-I109 VanDerWaalsContact C-N 3.35Å; Q107-I109 PolarHBondContact O-N 3.12Å; Q107-A110 PolarHBondContact O-N 3.22Å; Q107-H111 WeakPolarHBondContact O-CB 3.47Å; Q107-H111 PolarHBondContact O-CD2 3.4Å; Q107-H111 PolarHBondContact O-N 2.96Å
108A96.6Very high96.6Very high0 Ų032.4 Ų32.40%018%0.175CC..Hα-helixtrans-54-44.4-171.700000113.7E32 T34 F58 R105 D106 W112E32-A108 HydrophobicContact CB-CB 4.09Å; E32-A108 HydrophobicContact CG-CB 4Å; E32-A108 WeakPolarHBondContact O-CB 3.43Å; E32-A108 PolarHBondContact OE2-N 2.69Å; T34-A108 HydrophobicContact CG2-CB 4.14Å; F58-A108 HydrophobicContact CE1-CB 3.9Å; F58-A108 WeakPolarHBondContact CZ-O 3.24Å; R105-A108 HydrophobicContact CB-CB 3.92Å; R105-A108 WeakPolarHBondContact O-CB 3.44Å; D106-A108 PolarHBondContact O-N 2.94Å; A108-W112 VanDerWaalsContact O-CB 3.24Å; A108-W112 WeakPolarHBondContact O-CB 3.5Å; A108-W112 PolarHBondContact O-N 2.81Å
109I97.6Very high96.4Very high11 Ų1136.4 Ų36.46%0.05620%0.199CC..Hα-helixtrans-66.1-49.8-178.2-65.6178000110.1E32 Q107 H111 W112 K113 S148 S150 F151 A154E32-I109 HydrophobicContact CG-CG1 4.34Å; E32-I109 WeakPolarHBondContact OE1-CB 3.21Å; E32-I109 WeakPolarHBondContact OE1-CD1 3.36Å; E32-I109 WeakPolarHBondContact OE1-CG1 3.38Å; Q107-I109 VanDerWaalsContact C-N 3.35Å; Q107-I109 PolarHBondContact O-N 3.12Å; I109-H111 PolarHBondContact O-N 3.46Å; I109-W112 PolarHBondContact O-N 2.89Å; I109-K113 HydrophobicContact CG2-CD 4.05Å; I109-K113 WeakPolarHBondContact O-CB 3.36Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.43Å; I109-K113 PolarHBondContact O-N 2.9Å; I109-S148 WeakPolarHBondContact CG2-O 3.49Å; I109-S150 WeakPolarHBondContact CD1-O 3.49Å; I109-F151 HydrophobicContact CD1-CD1 4.43Å; I109-F151 HydrophobicContact CD1-CG 4.28Å; I109-A154 HydrophobicContact CD1-CB 3.89Å; I109-A154 HydrophobicContact CG1-CB 4.48Å
110A97.4Very high96.3Very high51 Ų5138.8 Ų38.842%0.42121%0.212SC..Hα-helixtrans-61.2-47.6179.800000111.2Q107 W112 K113 T114Q107-A110 PolarHBondContact O-N 3.22Å; A110-W112 PolarHBondContact O-N 2.71Å; A110-K113 PolarHBondContact O-N 2.89Å; A110-T114 PolarHBondContact O-N 3.09Å; A110-T114 PolarHBondContact O-OG1 3.48Å
111H98.1Very high96.2Very high57 Ų5738.8 Ų38.826%0.26421%0.212SC..Hα-helixtrans-61.8-42177.7-91.3-71.7000112.8F58 R105 Q107 I109 K113 T114 I115F58-H111 HydrophobicContact CE2-CB 4.14Å; F58-H111 HydrophobicContact CZ-CB 3.69Å; R105-H111 VanDerWaalsContact CZ-CE1 3.45Å; R105-H111 VanDerWaalsContact CZ-ND1 3.33Å; R105-H111 PolarHBondContact NE-CD2 3.22Å; R105-H111 PolarHBondContact NH1-ND1 3.47Å; R105-H111 PolarHBondContact NH2-CE1 3.34Å; R105-H111 PolarHBondContact NH2-NE2 2.94Å; Q107-H111 WeakPolarHBondContact O-CB 3.47Å; Q107-H111 PolarHBondContact O-CD2 3.4Å; Q107-H111 PolarHBondContact O-N 2.96Å; I109-H111 PolarHBondContact O-N 3.46Å; H111-K113 VanDerWaalsContact C-N 3.33Å; H111-T114 WeakPolarHBondContact O-CB 3.11Å; H111-T114 PolarHBondContact O-N 3.01Å; H111-I115 WeakPolarHBondContact O-CD1 3.34Å; H111-I115 WeakPolarHBondContact O-CG1 3.42Å; H111-I115 PolarHBondContact O-N 2.69Å; H111-I115 VanDerWaalsContact O-N 3.08Å
112W98.6Very high96.1Very high1 Ų142 Ų420%0.00423%0.232CC..Hα-helixtrans-64.4-42.7178.6-178.2-129.7000110.5T34 A36 I53 F58 L103 A108 I109 A110 T114 I115 I116 L132 V145 H146 G147T34-W112 HydrophobicContact CG2-CB 3.94Å; T34-W112 HydrophobicContact CG2-CG 4.21Å; A36-W112 HydrophobicContact CB-CD2 4.32Å; A36-W112 VanDerWaalsContact CB-CE2 3.49Å; A36-W112 HydrophobicContact CB-CH2 4.21Å; A36-W112 HydrophobicContact CB-CZ2 3.43Å; A36-W112 VanDerWaalsContact CB-CZ2 3.43Å; I53-W112 HydrophobicContact CD1-CH2 3.84Å; I53-W112 HydrophobicContact CD1-CZ3 4.02Å; I53-W112 HydrophobicContact CG1-CE3 4.5Å; I53-W112 HydrophobicContact CG1-CH2 3.91Å; I53-W112 HydrophobicContact CG1-CZ3 3.57Å; F58-W112 HydrophobicContact CE1-CB 4.43Å; F58-W112 HydrophobicContact CZ-CB 3.94Å; L103-W112 HydrophobicContact CD1-CD2 4.26Å; L103-W112 HydrophobicContact CD1-CE3 4.25Å; A108-W112 VanDerWaalsContact O-CB 3.24Å; A108-W112 WeakPolarHBondContact O-CB 3.5Å; A108-W112 PolarHBondContact O-N 2.81Å; I109-W112 PolarHBondContact O-N 2.89Å; A110-W112 PolarHBondContact O-N 2.71Å; W112-T114 VanDerWaalsContact C-N 3.31Å; W112-T114 PolarHBondContact O-N 2.96Å; W112-I115 HydrophobicContact CE3-CB 4.3Å; W112-I115 HydrophobicContact CE3-CG2 4.35Å; W112-I115 HydrophobicContact CZ3-CB 4.48Å; W112-I115 HydrophobicContact CZ3-CG2 4.05Å; W112-I115 PolarHBondContact O-N 2.95Å; W112-I115 VanDerWaalsContact O-N 3.13Å; W112-I116 HydrophobicContact CD2-CG2 3.63Å; W112-I116 HydrophobicContact CE3-CG2 3.9Å; W112-I116 HydrophobicContact CG-CG2 4.35Å; W112-I116 HydrophobicContact CH2-CG2 3.55Å; W112-I116 HydrophobicContact CZ2-CG2 3.26Å; W112-I116 HydrophobicContact CZ3-CG2 3.85Å; W112-I116 WeakPolarHBondContact O-CG1 3.49Å; W112-I116 WeakPolarHBondContact O-CG2 3.33Å; W112-I116 PolarHBondContact O-N 3.28Å; W112-L132 HydrophobicContact CH2-CD1 3.48Å; W112-L132 VanDerWaalsContact CH2-CD1 3.48Å; W112-L132 HydrophobicContact CZ3-CD1 3.71Å; W112-V145 HydrophobicContact CZ2-CB 4.33Å; W112-H146 PolarHBondContact NE1-O 3.29Å; W112-H146 VanDerWaalsContact NE1-O 3.11Å; W112-G147 VanDerWaalsContact CD1-CA 3.46Å; W112-G147 VanDerWaalsContact NE1-CA 3.29Å
113K98.1Very high96.1Very high84 Ų8447.8 Ų47.837%0.36526%0.257SS..Hα-helixtrans-58.9-39.4174.5-73.1178.169.8147.70112.7I109 A110 H111 G117 D149I109-K113 HydrophobicContact CG2-CD 4.05Å; I109-K113 WeakPolarHBondContact O-CB 3.36Å; I109-K113 VanDerWaalsContact O-CG 3.31Å; I109-K113 WeakPolarHBondContact O-CG 3.43Å; I109-K113 PolarHBondContact O-N 2.9Å; A110-K113 PolarHBondContact O-N 2.89Å; H111-K113 VanDerWaalsContact C-N 3.33Å; K113-G117 PolarHBondContact O-N 3.34Å; K113-D149 IonicContact NZ-OD1 3.17Å; K113-D149 PolarHBondContact NZ-OD1 3.11Å
114T97.8Very high96.1Very high97 Ų9747.8 Ų47.860%0.59526%0.257SS*.Hα-helixtrans-62.9-43.8174.4-59.80000112.1A110 H111 W112A110-T114 PolarHBondContact O-N 3.09Å; A110-T114 PolarHBondContact O-OG1 3.48Å; H111-T114 WeakPolarHBondContact O-CB 3.11Å; H111-T114 PolarHBondContact O-N 3.01Å; W112-T114 VanDerWaalsContact C-N 3.31Å; W112-T114 PolarHBondContact O-N 2.96Å
115I97.9Very high96.3Very high29 Ų2952.5 Ų52.515%0.14927%0.273CS..Hα-helixtrans-72.1-38.9-177.3-66.8158.7000112I52 S56 F58 H111 W112 C131 L132I52-I115 HydrophobicContact CG2-CG2 4.32Å; S56-I115 VanDerWaalsContact CB-CD1 3.47Å; F58-I115 HydrophobicContact CD2-CD1 4.3Å; F58-I115 HydrophobicContact CE2-CD1 3.57Å; H111-I115 WeakPolarHBondContact O-CD1 3.34Å; H111-I115 WeakPolarHBondContact O-CG1 3.42Å; H111-I115 PolarHBondContact O-N 2.69Å; H111-I115 VanDerWaalsContact O-N 3.08Å; W112-I115 HydrophobicContact CE3-CB 4.3Å; W112-I115 HydrophobicContact CE3-CG2 4.35Å; W112-I115 HydrophobicContact CZ3-CB 4.48Å; W112-I115 HydrophobicContact CZ3-CG2 4.05Å; W112-I115 PolarHBondContact O-N 2.95Å; W112-I115 VanDerWaalsContact O-N 3.13Å; I115-C131 WeakPolarHBondContact O-CA 3.2Å; I115-C131 VanDerWaalsContact O-CB 3.29Å; I115-C131 WeakPolarHBondContact O-CB 3.27Å; I115-L132 HydrophobicContact CG2-CD1 3.85Å; I115-L132 HydrophobicContact CG2-CG 3.91Å; I115-L132 PolarHBondContact O-N 3.37Å
116I98.3Very high96.6Very high4 Ų456.5 Ų56.52%0.02129%0.294CS..Hα-helixtrans-75.8-29.7178.669.3-173.9000112.4W112 L132 R133 V145W112-I116 HydrophobicContact CD2-CG2 3.63Å; W112-I116 HydrophobicContact CE3-CG2 3.9Å; W112-I116 HydrophobicContact CG-CG2 4.35Å; W112-I116 HydrophobicContact CH2-CG2 3.55Å; W112-I116 HydrophobicContact CZ2-CG2 3.26Å; W112-I116 HydrophobicContact CZ3-CG2 3.85Å; W112-I116 WeakPolarHBondContact O-CG1 3.49Å; W112-I116 WeakPolarHBondContact O-CG2 3.33Å; W112-I116 PolarHBondContact O-N 3.28Å; I116-L132 HydrophobicContact CG2-CD1 4.23Å; I116-R133 WeakPolarHBondContact O-CB 3.42Å; I116-R133 WeakPolarHBondContact O-CD 3.47Å; I116-R133 WeakPolarHBondContact O-CG 3.31Å; I116-R133 PolarHBondContact O-N 3.37Å; I116-V145 HydrophobicContact CB-CG2 3.74Å; I116-V145 HydrophobicContact CG2-CB 4.3Å; I116-V145 HydrophobicContact CG2-CG2 3.59Å
117G97.9Very high97Very high11 Ų1154.1 Ų54.111%0.11328%0.284CS..  trans72.9-172.8178.900000114.9K113 R133K113-G117 PolarHBondContact O-N 3.34Å; G117-R133 PolarHBondContact O-NH1 3.15Å
118P97.1Very high97.3Very high30 Ų3053.5 Ų53.520%0.19528%0.281CS..  trans-58.3144.6-176.6-23.433000113.5N120 K123 A124 R133P118-N120 VanDerWaalsContact C-N 3.26Å; P118-N120 PolarHBondContact O-N 2.87Å; P118-K123 HydrophobicContact CB-CD 4.38Å; P118-K123 HydrophobicContact CB-CG 4.3Å; P118-K123 HydrophobicContact CG-CG 4.37Å; P118-A124 HydrophobicContact CB-CB 4.42Å; P118-A124 HydrophobicContact CG-CB 4.43Å; P118-R133 WeakPolarHBondContact O-CD 3.42Å
119V95.4Very high97.3Very high85 Ų8557.1 Ų57.152%0.51530%0.304SS..SBendtrans-58.1-38.5179.1173.50000112.3C121 N143V119-C121 PolarHBondContact O-N 2.91Å; V119-N143 PolarHBondContact O-ND2 3.22Å
120N96.6Very high97.2Very high58 Ų5863.1 Ų63.131%0.3133%0.332SS..SBendtrans-78.8118.1177.2178.7-74.2000110.4P118 T122 K123 A124 D140P118-N120 VanDerWaalsContact C-N 3.26Å; P118-N120 PolarHBondContact O-N 2.87Å; N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 3.46Å; N120-T122 WeakPolarHBondContact OD1-CB 3.49Å; N120-T122 PolarHBondContact OD1-N 3.36Å; N120-T122 VanDerWaalsContact OD1-N 3.09Å; N120-K123 HydrophobicContact CB-CB 4.2Å; N120-K123 PolarHBondContact O-N 3.5Å; N120-K123 PolarHBondContact OD1-N 2.89Å; N120-A124 WeakPolarHBondContact O-CB 3.26Å; N120-A124 PolarHBondContact O-N 2.82Å; N120-D140 VanDerWaalsContact CA-OD1 3.27Å; N120-D140 WeakPolarHBondContact CA-OD1 3.45Å; N120-D140 VanDerWaalsContact CG-OD1 3.31Å; N120-D140 VanDerWaalsContact ND2-CG 3.32Å; N120-D140 PolarHBondContact ND2-OD1 3.03Å; N120-D140 PolarHBondContact ND2-OD2 2.71Å
121C95Very high97.3Very high1 Ų161.1 Ų61.11%0.00732%0.315CS..Hα-helixtrans-67.5-30-172.3-65.50000112.9V119 A124 R125 S139 D140 N143V119-C121 PolarHBondContact O-N 2.91Å; C121-A124 PolarHBondContact O-N 2.83Å; C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.07Å; C121-R125 PolarHBondContact O-NE 3.49Å; C121-S139 PolarHBondContact SG-O 2.93Å; C121-D140 PolarHBondContact N-OD1 2.96Å; C121-N143 WeakPolarHBondContact SG-CB 3.4Å
122T96.4Very high97.3Very high68 Ų6858.5 Ų58.542%0.41730%0.303SS..Hα-helixtrans-67.5-50.4175.4-61.30000110.4N120 A124 R125 E126N120-T122 VanDerWaalsContact C-N 3.31Å; N120-T122 PolarHBondContact O-N 3.46Å; N120-T122 WeakPolarHBondContact OD1-CB 3.49Å; N120-T122 PolarHBondContact OD1-N 3.36Å; N120-T122 VanDerWaalsContact OD1-N 3.09Å; T122-A124 PolarHBondContact O-N 3.2Å; T122-R125 PolarHBondContact O-N 3.38Å; T122-R125 VanDerWaalsContact O-N 3.14Å; T122-R125 PolarHBondContact OG1-NH2 3.35Å; T122-E126 WeakPolarHBondContact O-CG 3.46Å; T122-E126 PolarHBondContact O-N 3.14Å
123K97.3Very high97.3Very high120 Ų12059.4 Ų59.452%0.52231%0.307SS..Hα-helixtrans-59.3-38.2173.8-175.5174.5-178.6175.60111.7P118 N120 E126 T127P118-K123 HydrophobicContact CB-CD 4.38Å; P118-K123 HydrophobicContact CB-CG 4.3Å; P118-K123 HydrophobicContact CG-CG 4.37Å; N120-K123 HydrophobicContact CB-CB 4.2Å; N120-K123 PolarHBondContact O-N 3.5Å; N120-K123 PolarHBondContact OD1-N 2.89Å; K123-E126 PolarHBondContact O-N 3.31Å; K123-T127 HydrophobicContact CG-CG2 4.23Å; K123-T127 WeakPolarHBondContact O-CB 3.42Å; K123-T127 PolarHBondContact O-N 3.5Å; K123-T127 PolarHBondContact O-OG1 3.41Å
124A97.4Very high97.3Very high0 Ų056 Ų560%029%0.294CS..Hα-helixtrans-60.1-48.5175.700000111.4P118 N120 C121 T122 E126 T127 H128 R133 A134P118-A124 HydrophobicContact CB-CB 4.42Å; P118-A124 HydrophobicContact CG-CB 4.43Å; N120-A124 WeakPolarHBondContact O-CB 3.26Å; N120-A124 PolarHBondContact O-N 2.82Å; C121-A124 PolarHBondContact O-N 2.83Å; T122-A124 PolarHBondContact O-N 3.2Å; A124-E126 VanDerWaalsContact C-N 3.32Å; A124-E126 PolarHBondContact O-N 3.2Å; A124-T127 PolarHBondContact O-N 3.33Å; A124-H128 CarbonylContact O-C 3.01Å; A124-H128 WeakPolarHBondContact O-CA 3.37Å; A124-H128 PolarHBondContact O-N 3.29Å; A124-H128 VanDerWaalsContact O-O 3.09Å; A124-R133 HydrophobicContact CB-CB 4.11Å; A124-A134 HydrophobicContact CB-CB 4.19Å
125R97.7Very high97.3Very high106 Ų10656 Ų5640%0.429%0.286SS..Hα-helixtrans-60.6-38.5175.9-75.2-178.1-73.1-96.72.4113.1C121 T122 A134 G137C121-R125 WeakPolarHBondContact O-CG 3.42Å; C121-R125 PolarHBondContact O-N 3.07Å; C121-R125 PolarHBondContact O-NE 3.49Å; T122-R125 PolarHBondContact O-N 3.38Å; T122-R125 VanDerWaalsContact O-N 3.14Å; T122-R125 PolarHBondContact OG1-NH2 3.35Å; R125-A134 HydrophobicContact CG-CB 3.93Å; R125-G137 PolarHBondContact NH1-O 3.36Å; R125-G137 VanDerWaalsContact NH1-O 3.09Å
126E97.4Very high97.3Very high145 Ų14556.3 Ų56.368%0.67829%0.285SS*.Hα-helixtrans-72.9-40.6-179.2-70.7168.9177.500113.1T122 K123 A124T122-E126 WeakPolarHBondContact O-CG 3.46Å; T122-E126 PolarHBondContact O-N 3.14Å; K123-E126 PolarHBondContact O-N 3.31Å; A124-E126 VanDerWaalsContact C-N 3.32Å; A124-E126 PolarHBondContact O-N 3.2Å
127T97.3Very high97.3Very high70 Ų7056.4 Ų56.443%0.42929%0.287SS..Hα-helixtrans-103.9-29.2-168.858.80000113.8K123 A124K123-T127 HydrophobicContact CG-CG2 4.23Å; K123-T127 WeakPolarHBondContact O-CB 3.42Å; K123-T127 PolarHBondContact O-N 3.5Å; K123-T127 PolarHBondContact O-OG1 3.41Å; A124-T127 PolarHBondContact O-N 3.33Å
128H96.8Very high97.1Very high96 Ų9660.5 Ų60.544%0.44431%0.31SS..  trans-142.663.6-175.3-57.481000109.6A124 E130 C131A124-H128 CarbonylContact O-C 3.01Å; A124-H128 WeakPolarHBondContact O-CA 3.37Å; A124-H128 PolarHBondContact O-N 3.29Å; A124-H128 VanDerWaalsContact O-O 3.09Å; H128-E130 PolarHBondContact O-N 2.83Å; H128-C131 HydrophobicContact CB-CB 4.02Å; H128-C131 WeakPolarHBondContact O-CB 3.45Å; H128-C131 PolarHBondContact O-N 3.04Å; H128-C131 PolarHBondContact O-SG 3.18Å
129P96.6Very high97.1Very high75 Ų7561.3 Ų61.349%0.48732%0.316SS..THydrogen-bonded Turntrans-57.2-23.9-172.222.3-34.1000113.7A134P129-A134 WeakPolarHBondContact O-CB 3.49Å
130E96.9Very high96.8Very high138 Ų13861.1 Ų61.165%0.64531%0.312SS*.THydrogen-bonded Turntrans-84-10.2179.4-63.9-52.6129.300115H128 K135H128-E130 PolarHBondContact O-N 2.83Å; E130-K135 VanDerWaalsContact O-CE 3.26Å; E130-K135 WeakPolarHBondContact O-CE 3.25Å; E130-K135 PolarHBondContact O-NZ 3.44Å; E130-K135 VanDerWaalsContact OE2-CE 3.25Å; E130-K135 WeakPolarHBondContact OE2-CE 3.26Å; E130-K135 IonicContact OE2-NZ 2.9Å; E130-K135 PolarHBondContact OE2-NZ 2.99Å
131C98.4Very high96.7Very high9 Ų960.8 Ų60.86%0.06131%0.31CS..SBendtrans-72.8158.3-177.679.10000112.5I115 H128 R133 A134 K135I115-C131 WeakPolarHBondContact O-CA 3.2Å; I115-C131 VanDerWaalsContact O-CB 3.29Å; I115-C131 WeakPolarHBondContact O-CB 3.27Å; H128-C131 HydrophobicContact CB-CB 4.02Å; H128-C131 WeakPolarHBondContact O-CB 3.45Å; H128-C131 PolarHBondContact O-N 3.04Å; H128-C131 PolarHBondContact O-SG 3.18Å; C131-R133 VanDerWaalsContact C-N 3.32Å; C131-R133 PolarHBondContact O-N 2.82Å; C131-A134 WeakPolarHBondContact O-CB 3.46Å; C131-A134 PolarHBondContact O-N 3.38Å; C131-A134 VanDerWaalsContact O-N 3.09Å; C131-A134 PolarHBondContact SG-N 3.16Å; C131-A134 VanDerWaalsContact SG-N 3.44Å; C131-K135 PolarHBondContact O-N 2.82Å; C131-K135 VanDerWaalsContact O-N 3.12Å
132L98.4Very high96.8Very high2 Ų267 Ų671%0.0133%0.333CS..Hα-helixtrans-61.4-38-175.4-61.6178.9000112.7I49 I52 W112 I115 I116 A134 K135 Y136 V145I49-L132 HydrophobicContact CG2-CD1 4.11Å; I52-L132 HydrophobicContact CB-CD2 4.37Å; I52-L132 HydrophobicContact CD1-CD2 3.67Å; I52-L132 HydrophobicContact CG2-CD2 4.01Å; W112-L132 HydrophobicContact CH2-CD1 3.48Å; W112-L132 VanDerWaalsContact CH2-CD1 3.48Å; W112-L132 HydrophobicContact CZ3-CD1 3.71Å; I115-L132 HydrophobicContact CG2-CD1 3.85Å; I115-L132 HydrophobicContact CG2-CG 3.91Å; I115-L132 PolarHBondContact O-N 3.37Å; I116-L132 HydrophobicContact CG2-CD1 4.23Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.5Å; L132-K135 PolarHBondContact O-N 3.27Å; L132-Y136 HydrophobicContact CB-CD2 4.22Å; L132-Y136 HydrophobicContact CD2-CD2 4.07Å; L132-Y136 HydrophobicContact CD2-CE2 3.58Å; L132-Y136 VanDerWaalsContact O-CD2 3.28Å; L132-Y136 WeakPolarHBondContact O-CD2 3.29Å; L132-Y136 PolarHBondContact O-N 3.13Å; L132-V145 HydrophobicContact CB-CG2 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.41Å
133R98.5Very high96.9Very high20 Ų2063.9 Ų63.98%0.07531%0.314CS..Hα-helixtrans-68.1-30177.4-72.9177.2174.9156-5.4113.1I116 G117 P118 A124 C131 G137 N143 V145I116-R133 WeakPolarHBondContact O-CB 3.42Å; I116-R133 WeakPolarHBondContact O-CD 3.47Å; I116-R133 WeakPolarHBondContact O-CG 3.31Å; I116-R133 PolarHBondContact O-N 3.37Å; G117-R133 PolarHBondContact O-NH1 3.15Å; P118-R133 WeakPolarHBondContact O-CD 3.42Å; A124-R133 HydrophobicContact CB-CB 4.11Å; C131-R133 VanDerWaalsContact C-N 3.32Å; C131-R133 PolarHBondContact O-N 2.82Å; R133-G137 VanDerWaalsContact O-CA 3.24Å; R133-G137 WeakPolarHBondContact O-CA 3.34Å; R133-G137 PolarHBondContact O-N 3.08Å; R133-G137 VanDerWaalsContact O-N 3.09Å; R133-N143 HydrophobicContact CG-CB 4.16Å; R133-N143 WeakPolarHBondContact CG-O 3.47Å; R133-N143 PolarHBondContact NE-ND2 3.01Å; R133-V145 HydrophobicContact CG-CG2 4.07Å; R133-V145 PolarHBondContact NH2-O 3.31Å; R133-V145 VanDerWaalsContact NH2-O 3.08Å
134A98Very high97Very high11 Ų1158.1 Ų58.19%0.09129%0.289CS..Hα-helixtrans-71.1-40.7174.400000111.6A124 R125 P129 C131 L132A124-A134 HydrophobicContact CB-CB 4.19Å; R125-A134 HydrophobicContact CG-CB 3.93Å; P129-A134 WeakPolarHBondContact O-CB 3.49Å; C131-A134 WeakPolarHBondContact O-CB 3.46Å; C131-A134 PolarHBondContact O-N 3.38Å; C131-A134 VanDerWaalsContact O-N 3.09Å; C131-A134 PolarHBondContact SG-N 3.16Å; C131-A134 VanDerWaalsContact SG-N 3.44Å; L132-A134 VanDerWaalsContact C-N 3.31Å; L132-A134 PolarHBondContact O-N 3.5Å
135K98Very high97Very high99 Ų9958.1 Ų58.143%0.4329%0.289SS..Hα-helixtrans-75.3-44.9-177-70.1-178.7174.5170.60113.7E130 C131 L132E130-K135 VanDerWaalsContact O-CE 3.26Å; E130-K135 WeakPolarHBondContact O-CE 3.25Å; E130-K135 PolarHBondContact O-NZ 3.44Å; E130-K135 VanDerWaalsContact OE2-CE 3.25Å; E130-K135 WeakPolarHBondContact OE2-CE 3.26Å; E130-K135 IonicContact OE2-NZ 2.9Å; E130-K135 PolarHBondContact OE2-NZ 2.99Å; C131-K135 PolarHBondContact O-N 2.82Å; C131-K135 VanDerWaalsContact O-N 3.12Å; L132-K135 PolarHBondContact O-N 3.27Å
136Y98.1Very high97.1Very high35 Ų3554.3 Ų54.314%0.13728%0.276CS..Hα-helixtrans-114-14.5-169.2-50.6-68.9000113.4Q45 E48 I49 I52 L132Q45-Y136 HydrophobicContact CB-CD1 4.06Å; Q45-Y136 HydrophobicContact CB-CE1 4.13Å; Q45-Y136 HydrophobicContact CG-CD1 3.85Å; Q45-Y136 HydrophobicContact CG-CE1 4.04Å; E48-Y136 PolarHBondContact OE1-OH 2.84Å; I49-Y136 HydrophobicContact CD1-CD2 4.16Å; I49-Y136 HydrophobicContact CD1-CE2 4.48Å; I49-Y136 HydrophobicContact CD1-CG 4.42Å; I49-Y136 HydrophobicContact CG1-CD2 4.05Å; I49-Y136 HydrophobicContact CG1-CE2 3.88Å; I52-Y136 HydrophobicContact CD1-CE2 4.26Å; I52-Y136 WeakPolarHBondContact CD1-OH 3.23Å; L132-Y136 HydrophobicContact CB-CD2 4.22Å; L132-Y136 HydrophobicContact CD2-CD2 4.07Å; L132-Y136 HydrophobicContact CD2-CE2 3.58Å; L132-Y136 VanDerWaalsContact O-CD2 3.28Å; L132-Y136 WeakPolarHBondContact O-CD2 3.29Å; L132-Y136 PolarHBondContact O-N 3.13Å
137G97.3Very high97.1Very high5 Ų547.6 Ų47.65%0.05225%0.246CC..  trans-81.6132.9-178.300000113.6R125 R133 R142R125-G137 PolarHBondContact NH1-O 3.36Å; R125-G137 VanDerWaalsContact NH1-O 3.09Å; R133-G137 VanDerWaalsContact O-CA 3.24Å; R133-G137 WeakPolarHBondContact O-CA 3.34Å; R133-G137 PolarHBondContact O-N 3.08Å; R133-G137 VanDerWaalsContact O-N 3.09Å; G137-R142 CarbonylContact C-O 3.54Å; G137-R142 WeakPolarHBondContact CA-O 3.38Å
138T95.4Very high97.1Very high98 Ų9844.3 Ų44.360%0.60123%0.226SC*.  trans-102.6-31.1178.157.10000113R142T138-R142 PolarHBondContact N-O 3.27Å; T138-R142 VanDerWaalsContact OG1-CB 3.26Å; T138-R142 WeakPolarHBondContact OG1-CB 3.45Å; T138-R142 PolarHBondContact OG1-O 2.69Å
139S95.3Very high97Very high47 Ų4744.9 Ų44.933%0.32923%0.232SC..SBendtrans-151.9174.1176.374.40000111.4C121 L141 R142 N143C121-S139 PolarHBondContact SG-O 2.93Å; S139-L141 PolarHBondContact O-N 2.97Å; S139-R142 PolarHBondContact N-O 2.87Å; S139-R142 VanDerWaalsContact N-O 3.08Å; S139-R142 CarbonylContact O-C 3.6Å; S139-R142 PolarHBondContact O-N 3.19Å; S139-R142 PolarHBondContact OG-N 3.28Å; S139-R142 VanDerWaalsContact OG-N 3.16Å; S139-N143 WeakPolarHBondContact O-CB 3.09Å; S139-N143 PolarHBondContact O-N 2.89Å
140D90.6Very high96.9Very high81 Ų8143.6 Ų43.643%0.43323%0.225SC..SBendtrans-60.7-32.1179.7-66.59.5000112.4N120 C121 N143N120-D140 VanDerWaalsContact CA-OD1 3.27Å; N120-D140 WeakPolarHBondContact CA-OD1 3.45Å; N120-D140 VanDerWaalsContact CG-OD1 3.31Å; N120-D140 VanDerWaalsContact ND2-CG 3.32Å; N120-D140 PolarHBondContact ND2-OD1 3.03Å; N120-D140 PolarHBondContact ND2-OD2 2.71Å; C121-D140 PolarHBondContact N-OD1 2.96Å; D140-N143 PolarHBondContact O-ND2 3.16Å
141L94.4Very high96.6Very high50 Ų5042.3 Ų42.326%0.26222%0.217SC..SBendtrans-77-48.6174.1-172.964.9000111.3L89 F92 S139 N143L89-L141 HydrophobicContact CB-CD1 4.1Å; L89-L141 HydrophobicContact CD1-CD1 4.11Å; F92-L141 HydrophobicContact CB-CD1 4.37Å; F92-L141 HydrophobicContact CB-CD2 4.01Å; F92-L141 HydrophobicContact CB-CG 4.14Å; F92-L141 HydrophobicContact CD1-CD1 4.21Å; F92-L141 HydrophobicContact CD1-CG 3.88Å; F92-L141 VanDerWaalsContact CE1-O 3.24Å; F92-L141 WeakPolarHBondContact CE1-O 3.38Å; F92-L141 HydrophobicContact CG-CD2 4.35Å; F92-L141 HydrophobicContact CG-CG 4.13Å; S139-L141 PolarHBondContact O-N 2.97Å; L141-N143 PolarHBondContact O-N 3.01Å
142R97.5Very high96.2Very high131 Ų13145.6 Ų45.649%0.49424%0.24SC..  trans-95.966.4-179.6-63.6-174.4-178.6139.8-0.1110D41 F92 G137 T138 S139D41-R142 HydrophobicContact CB-CB 4.29Å; D41-R142 VanDerWaalsContact OD2-CA 3.22Å; D41-R142 WeakPolarHBondContact OD2-CA 3.36Å; D41-R142 WeakPolarHBondContact OD2-CB 3.32Å; D41-R142 VanDerWaalsContact OD2-O 3.14Å; F92-R142 HydrophobicContact CD2-CG 4.29Å; F92-R142 HydrophobicContact CE1-CG 4.22Å; F92-R142 HydrophobicContact CE2-CG 3.8Å; F92-R142 HydrophobicContact CZ-CB 4.3Å; F92-R142 HydrophobicContact CZ-CG 3.76Å; G137-R142 CarbonylContact C-O 3.54Å; G137-R142 WeakPolarHBondContact CA-O 3.38Å; T138-R142 PolarHBondContact N-O 3.27Å; T138-R142 VanDerWaalsContact OG1-CB 3.26Å; T138-R142 WeakPolarHBondContact OG1-CB 3.45Å; T138-R142 PolarHBondContact OG1-O 2.69Å; S139-R142 PolarHBondContact N-O 2.87Å; S139-R142 VanDerWaalsContact N-O 3.08Å; S139-R142 CarbonylContact O-C 3.6Å; S139-R142 PolarHBondContact O-N 3.19Å; S139-R142 PolarHBondContact OG-N 3.28Å; S139-R142 VanDerWaalsContact OG-N 3.16Å
143N97.9Very high96Very high3 Ų345.7 Ų45.72%0.01624%0.241CC..  trans-104.426.5-177.766.5-0.3000112.4K39 D41 V119 C121 R133 S139 D140 L141 V145K39-N143 WeakPolarHBondContact CE-OD1 3.13Å; K39-N143 PolarHBondContact NZ-OD1 3.19Å; D41-N143 PolarHBondContact OD2-N 2.79Å; V119-N143 PolarHBondContact O-ND2 3.22Å; C121-N143 WeakPolarHBondContact SG-CB 3.4Å; R133-N143 HydrophobicContact CG-CB 4.16Å; R133-N143 WeakPolarHBondContact CG-O 3.47Å; R133-N143 PolarHBondContact NE-ND2 3.01Å; S139-N143 WeakPolarHBondContact O-CB 3.09Å; S139-N143 PolarHBondContact O-N 2.89Å; D140-N143 PolarHBondContact O-ND2 3.16Å; L141-N143 PolarHBondContact O-N 3.01Å; N143-V145 PolarHBondContact O-N 3.46Å
144A98.4Very high95.9Very high0 Ų044.8 Ų44.80%024%0.238CC..SBendtrans63.4-40.3173.900000118K39 D41 A42K39-A144 WeakPolarHBondContact CB-O 3.46Å; K39-A144 PolarHBondContact N-O 3.05Å; D41-A144 PolarHBondContact OD2-N 3.34Å; A42-A144 HydrophobicContact CB-CB 3.5Å; A42-A144 VanDerWaalsContact CB-CB 3.5Å
145V98.6Very high95.6Very high0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-141147.1-169-66.30000113.9L37 I49 W112 I116 L132 R133 N143L37-V145 CarbonylContact O-C 3.48Å; L37-V145 WeakPolarHBondContact O-CA 3.28Å; I49-V145 HydrophobicContact CD1-CG1 4.44Å; I49-V145 HydrophobicContact CG2-CG1 4.44Å; W112-V145 HydrophobicContact CZ2-CB 4.33Å; I116-V145 HydrophobicContact CB-CG2 3.74Å; I116-V145 HydrophobicContact CG2-CB 4.3Å; I116-V145 HydrophobicContact CG2-CG2 3.59Å; L132-V145 HydrophobicContact CB-CG2 4.1Å; L132-V145 HydrophobicContact CD1-CG1 4.41Å; R133-V145 HydrophobicContact CG-CG2 4.07Å; R133-V145 PolarHBondContact NH2-O 3.31Å; R133-V145 VanDerWaalsContact NH2-O 3.08Å; N143-V145 PolarHBondContact O-N 3.46Å
146H98.3Very high95.3Very high25 Ų2549.4 Ų49.412%0.11626%0.255CS..EExtended strand (participates in β ladder)trans-113149.9170.4177.679000110.6A36 L37 W112 E157A36-H146 WeakPolarHBondContact CA-O 3.47Å; L37-H146 HydrophobicContact CB-CB 3.88Å; L37-H146 HydrophobicContact CD1-CB 4.07Å; L37-H146 HydrophobicContact CG-CB 4.11Å; L37-H146 PolarHBondContact N-O 2.74Å; L37-H146 VanDerWaalsContact N-O 3.1Å; L37-H146 PolarHBondContact O-N 3.18Å; W112-H146 PolarHBondContact NE1-O 3.29Å; W112-H146 VanDerWaalsContact NE1-O 3.11Å; H146-E157 IonicContact CD2-OE2 3.01Å; H146-E157 IonicContact NE2-OE1 2.88Å; H146-E157 IonicContact NE2-OE2 3.95Å; H146-E157 PolarHBondContact NE2-OE2 2.76Å
147G97.5Very high95.3Very high5 Ų548.4 Ų48.45%0.05225%0.251CS..EExtended strand (participates in β ladder)trans-143.6142.2171.900000110.2L35 W112L35-G147 WeakPolarHBondContact O-CA 3.36Å; W112-G147 VanDerWaalsContact CD1-CA 3.46Å; W112-G147 VanDerWaalsContact NE1-CA 3.29Å
148S97.5Very high95.2Very high0 Ų048.6 Ų48.60%025%0.251CS..  trans-61.5146.9175.9-490000111.4L35 I109 A154 E157L35-S148 WeakPolarHBondContact CB-OG 3.46Å; L35-S148 PolarHBondContact N-OG 3.47Å; L35-S148 PolarHBondContact O-N 3.22Å; I109-S148 WeakPolarHBondContact CG2-O 3.49Å; S148-A154 WeakPolarHBondContact OG-CA 3.33Å; S148-E157 WeakPolarHBondContact CA-OE2 3.17Å; S148-E157 WeakPolarHBondContact CB-OE2 3.34Å; S148-E157 PolarHBondContact OG-OE2 2.96Å
149D94.5Very high95.1Very high109 Ų10950 Ų5058%0.58325%0.249SC*.SBendtrans-92.4-24-174.4-90.6-36.8000114.4K113 S153K113-D149 IonicContact NZ-OD1 3.17Å; K113-D149 PolarHBondContact NZ-OD1 3.11Å; D149-S153 PolarHBondContact N-OG 3.1Å
150S95Very high95.1Very high47 Ų4751.2 Ų51.233%0.32925%0.249SC..SBendtrans-152.3165.2-175.472.10000111.6I109 S152 S153 A154I109-S150 WeakPolarHBondContact CD1-O 3.49Å; S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.36Å; S150-S152 PolarHBondContact OG-OG 2.64Å; S150-S152 VanDerWaalsContact OG-OG 3.05Å; S150-S153 PolarHBondContact N-OG 2.95Å; S150-S153 PolarHBondContact O-N 2.82Å; S150-S153 PolarHBondContact O-OG 3.24Å; S150-S153 PolarHBondContact OG-N 3.37Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 3.02Å; S150-A154 PolarHBondContact O-N 2.82Å
151F91.3Very high95.3Very high111 Ų11147.4 Ų47.449%0.48723%0.228SC..Hα-helixtrans-52.6-47.1174.7-71.3-89.1000112.7E32 I109 S153 A154 E155E32-F151 HydrophobicContact CB-CE1 4.2Å; E32-F151 VanDerWaalsContact CD-CZ 3.42Å; E32-F151 HydrophobicContact CG-CD1 4.06Å; E32-F151 HydrophobicContact CG-CE1 3.42Å; E32-F151 VanDerWaalsContact CG-CE1 3.42Å; E32-F151 HydrophobicContact CG-CZ 4.07Å; E32-F151 WeakPolarHBondContact OE1-CE1 3.23Å; E32-F151 WeakPolarHBondContact OE1-CZ 3.44Å; I109-F151 HydrophobicContact CD1-CD1 4.43Å; I109-F151 HydrophobicContact CD1-CG 4.28Å; F151-S153 PolarHBondContact O-N 2.93Å; F151-A154 WeakPolarHBondContact O-CB 3.43Å; F151-A154 PolarHBondContact O-N 3.14Å; F151-E155 WeakPolarHBondContact O-CG 3.41Å; F151-E155 PolarHBondContact O-N 2.78Å
152S90.2Very high95.2Very high78 Ų7845.6 Ų45.655%0.54522%0.218SC..Hα-helixtrans-65.3-38.5-179.856.60000112.6S150 R156S150-S152 VanDerWaalsContact C-N 3.31Å; S150-S152 PolarHBondContact O-N 3.36Å; S150-S152 PolarHBondContact OG-OG 2.64Å; S150-S152 VanDerWaalsContact OG-OG 3.05Å; S152-R156 WeakPolarHBondContact O-CB 3.37Å; S152-R156 PolarHBondContact O-N 3.05Å
153S94.6Very high94.7Very high4 Ų443.3 Ų43.33%0.02822%0.22CC..Hα-helixtrans-65.5-42.3173.367.80000111.1D149 S150 F151 E155 R156 E157D149-S153 PolarHBondContact N-OG 3.1Å; S150-S153 PolarHBondContact N-OG 2.95Å; S150-S153 PolarHBondContact O-N 2.82Å; S150-S153 PolarHBondContact O-OG 3.24Å; S150-S153 PolarHBondContact OG-N 3.37Å; S150-S153 VanDerWaalsContact OG-N 3.16Å; S150-S153 PolarHBondContact OG-OG 3.02Å; F151-S153 PolarHBondContact O-N 2.93Å; S153-E155 PolarHBondContact O-N 3.34Å; S153-R156 PolarHBondContact O-N 3.38Å; S153-E157 WeakPolarHBondContact O-CB 3.21Å; S153-E157 WeakPolarHBondContact O-CG 3.39Å; S153-E157 PolarHBondContact O-N 3.31Å
154A95.2Very high93.6Very high2 Ų250.9 Ų50.92%0.01726%0.261CS..Hα-helixtrans-61.3-46.7178.800000111.8R33 I109 S148 S150 F151 R156 E157 I158R33-A154 WeakPolarHBondContact O-CB 3.33Å; I109-A154 HydrophobicContact CD1-CB 3.89Å; I109-A154 HydrophobicContact CG1-CB 4.48Å; S148-A154 WeakPolarHBondContact OG-CA 3.33Å; S150-A154 PolarHBondContact O-N 2.82Å; F151-A154 WeakPolarHBondContact O-CB 3.43Å; F151-A154 PolarHBondContact O-N 3.14Å; A154-R156 PolarHBondContact O-N 3.04Å; A154-E157 PolarHBondContact O-N 3.41Å; A154-I158 WeakPolarHBondContact O-CB 3.34Å; A154-I158 WeakPolarHBondContact O-CD1 3.46Å; A154-I158 WeakPolarHBondContact O-CG1 3.39Å; A154-I158 PolarHBondContact O-N 2.97Å
155E91.2Very high91.9Very high104 Ų10452.7 Ų52.749%0.48627%0.273SS..Hα-helixtrans-59.4-49177.4-72.4-177.3152.200112F151 S153 K159F151-E155 WeakPolarHBondContact O-CG 3.41Å; F151-E155 PolarHBondContact O-N 2.78Å; S153-E155 PolarHBondContact O-N 3.34Å; E155-K159 VanDerWaalsContact O-CB 3.27Å; E155-K159 WeakPolarHBondContact O-CB 3.42Å; E155-K159 PolarHBondContact O-N 3.46Å
156R93.5Very high90.1Very high103 Ų10359 Ų5939%0.38931%0.311SS..Hα-helixtrans-62.2-48.2178.5179.6-171.663.1-132.22.8111.9E79 S152 S153 A154 K159 F160E79-R156 IonicContact OE1-CZ 2.69Å; E79-R156 IonicContact OE1-NH1 2.74Å; E79-R156 PolarHBondContact OE1-NH1 3.01Å; E79-R156 IonicContact OE1-NH2 2.71Å; E79-R156 PolarHBondContact OE1-NH2 3.35Å; E79-R156 IonicContact OE2-CZ 2.97Å; E79-R156 IonicContact OE2-NH2 2.68Å; E79-R156 PolarHBondContact OE2-NH2 3.23Å; S152-R156 WeakPolarHBondContact O-CB 3.37Å; S152-R156 PolarHBondContact O-N 3.05Å; S153-R156 PolarHBondContact O-N 3.38Å; A154-R156 PolarHBondContact O-N 3.04Å; R156-K159 PolarHBondContact O-N 3.07Å; R156-F160 WeakPolarHBondContact O-CB 3.38Å; R156-F160 PolarHBondContact O-N 2.94Å
157E96.7Very high88.1Confident13 Ų1359 Ų596%0.06131%0.312CS..Hα-helixtrans-68.1-41.5-176-73.4175.8-167.700111.9L35 F76 H146 S148 S153 A154 F160 M161L35-E157 HydrophobicContact CB-CB 4.1Å; L35-E157 HydrophobicContact CD2-CB 3.62Å; L35-E157 HydrophobicContact CD2-CG 4.46Å; L35-E157 HydrophobicContact CG-CB 4.47Å; F76-E157 HydrophobicContact CE2-CB 3.87Å; F76-E157 HydrophobicContact CE2-CG 3.71Å; F76-E157 HydrophobicContact CZ-CB 4.26Å; F76-E157 HydrophobicContact CZ-CG 3.88Å; H146-E157 IonicContact CD2-OE2 3.01Å; H146-E157 IonicContact NE2-OE1 2.88Å; H146-E157 IonicContact NE2-OE2 3.95Å; H146-E157 PolarHBondContact NE2-OE2 2.76Å; S148-E157 WeakPolarHBondContact CA-OE2 3.17Å; S148-E157 WeakPolarHBondContact CB-OE2 3.34Å; S148-E157 PolarHBondContact OG-OE2 2.96Å; S153-E157 WeakPolarHBondContact O-CB 3.21Å; S153-E157 WeakPolarHBondContact O-CG 3.39Å; S153-E157 PolarHBondContact O-N 3.31Å; A154-E157 PolarHBondContact O-N 3.41Å; E157-F160 WeakPolarHBondContact O-CB 3.47Å; E157-F160 PolarHBondContact O-N 3.01Å; E157-M161 WeakPolarHBondContact O-CG 2.99Å; E157-M161 PolarHBondContact O-N 3.09Å; E157-M161 VanDerWaalsContact O-N 3.07Å
158I95.4Very high86.3Confident10 Ų1063 Ų635%0.05133%0.329CS..Hα-helixtrans-61.6-47173.4-70.9169.5000109.8R33 L35 A102 A154 F160 M161 F162 I167R33-I158 HydrophobicContact CB-CD1 3.95Å; L35-I158 HydrophobicContact CB-CG1 3.99Å; L35-I158 HydrophobicContact CD1-CG1 4.4Å; A102-I158 HydrophobicContact CB-CG2 4.39Å; A154-I158 WeakPolarHBondContact O-CB 3.34Å; A154-I158 WeakPolarHBondContact O-CD1 3.46Å; A154-I158 WeakPolarHBondContact O-CG1 3.39Å; A154-I158 PolarHBondContact O-N 2.97Å; I158-F160 VanDerWaalsContact C-N 3.29Å; I158-F160 PolarHBondContact O-N 3.44Å; I158-M161 PolarHBondContact O-N 3.44Å; I158-F162 HydrophobicContact CG2-CD2 4.19Å; I158-F162 WeakPolarHBondContact O-CB 3.07Å; I158-F162 WeakPolarHBondContact O-CD2 3.32Å; I158-F162 PolarHBondContact O-N 3.12Å; I158-I167 HydrophobicContact CG2-CB 4.21Å; I158-I167 HydrophobicContact CG2-CD1 3.66Å; I158-I167 HydrophobicContact CG2-CG1 4.42Å; I158-I167 HydrophobicContact CG2-CG2 4.36Å
159K93.3Very high84.4Confident126 Ų12665.9 Ų65.955%0.54835%0.348SS..Hα-helixtrans-61-38.2178-172.5169.7-1671510112.4E155 R156 F162 P163 E168E155-K159 VanDerWaalsContact O-CB 3.27Å; E155-K159 WeakPolarHBondContact O-CB 3.42Å; E155-K159 PolarHBondContact O-N 3.46Å; R156-K159 PolarHBondContact O-N 3.07Å; K159-F162 CarbonylContact O-C 3.58Å; K159-P163 VanDerWaalsContact O-CA 3.32Å; K159-P163 WeakPolarHBondContact O-CA 3.17Å; K159-E168 IonicContact NZ-OE1 3.78Å; K159-E168 PolarHBondContact NZ-OE1 3.46Å
160F94.4Very high82.8Confident74 Ų7466.2 Ų66.233%0.32535%0.349SS..Hα-helixtrans-62-45.7175.1-172.1-82.4000111.8L68 Q72 D75 F76 R156 E157 I158L68-F160 HydrophobicContact CD2-CE1 4.41Å; Q72-F160 HydrophobicContact CB-CZ 4.38Å; Q72-F160 WeakPolarHBondContact O-CZ 3.33Å; D75-F160 HydrophobicContact CB-CE2 4.09Å; D75-F160 HydrophobicContact CB-CZ 4.41Å; F76-F160 HydrophobicContact CB-CD1 4.36Å; F76-F160 HydrophobicContact CB-CE1 3.92Å; F76-F160 HydrophobicContact CB-CE2 4.46Å; F76-F160 HydrophobicContact CB-CZ 3.97Å; F76-F160 HydrophobicContact CD2-CB 4.38Å; F76-F160 AromaticContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CD1 3.62Å; F76-F160 HydrophobicContact CD2-CE1 4.02Å; F76-F160 AromaticContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CD2-CG 3.98Å; F76-F160 HydrophobicContact CE2-CD1 4.44Å; F76-F160 HydrophobicContact CG-CD1 4.4Å; F76-F160 HydrophobicContact CG-CE1 4.36Å; R156-F160 WeakPolarHBondContact O-CB 3.38Å; R156-F160 PolarHBondContact O-N 2.94Å; E157-F160 WeakPolarHBondContact O-CB 3.47Å; E157-F160 PolarHBondContact O-N 3.01Å; I158-F160 VanDerWaalsContact C-N 3.29Å; I158-F160 PolarHBondContact O-N 3.44Å
161M95.6Very high81.3Confident0 Ų066.5 Ų66.50%035%0.349CS..Hα-helixtrans-78.2-28.1-177.4-66-67.4171.800113.3L35 L37 R64 L66 L68 F76 I98 A100 E157 I158L35-M161 HydrophobicContact CD1-CB 4.18Å; L35-M161 HydrophobicContact CD1-CG 3.97Å; L35-M161 HydrophobicContact CD2-CG 3.87Å; L37-M161 HydrophobicContact CD1-CE 3.91Å; L37-M161 HydrophobicContact CD2-CE 3.98Å; L37-M161 HydrophobicContact CD2-CG 4.34Å; L37-M161 HydrophobicContact CD2-SD 4.23Å; R64-M161 PolarHBondContact NH1-O 3.06Å; L66-M161 HydrophobicContact CD1-SD 4.09Å; L68-M161 HydrophobicContact CD1-CE 3.9Å; F76-M161 HydrophobicContact CD1-CE 4.37Å; F76-M161 HydrophobicContact CD2-CE 3.54Å; F76-M161 HydrophobicContact CE1-CE 4.27Å; F76-M161 HydrophobicContact CE2-CE 3.4Å; F76-M161 VanDerWaalsContact CE2-CE 3.4Å; F76-M161 HydrophobicContact CE2-CG 4.47Å; F76-M161 HydrophobicContact CG-CE 4.03Å; F76-M161 HydrophobicContact CZ-CE 3.81Å; I98-M161 HydrophobicContact CD1-CE 4.28Å; I98-M161 HydrophobicContact CD1-SD 4.48Å; A100-M161 HydrophobicContact CB-CB 4.03Å; A100-M161 HydrophobicContact CB-CG 4.08Å; A100-M161 HydrophobicContact CB-SD 4.12Å; E157-M161 WeakPolarHBondContact O-CG 2.99Å; E157-M161 PolarHBondContact O-N 3.09Å; E157-M161 VanDerWaalsContact O-N 3.07Å; I158-M161 PolarHBondContact O-N 3.44Å
162F93.6Very high80.1Confident13 Ų1365.7 Ų65.76%0.05735%0.348CS..  trans-130.863.3-173.9-56-81.1000112L35 Q62 R64 A100 A102 I158 K159 N164 S165 I167L35-F162 HydrophobicContact CD1-CE2 4.03Å; Q62-F162 HydrophobicContact CB-CD1 3.95Å; Q62-F162 HydrophobicContact CB-CE1 3.64Å; Q62-F162 HydrophobicContact CB-CZ 4.03Å; Q62-F162 VanDerWaalsContact OE1-CG 3.31Å; R64-F162 HydrophobicContact CB-CD1 4.35Å; R64-F162 HydrophobicContact CB-CE1 3.62Å; R64-F162 HydrophobicContact CB-CZ 4.27Å; A100-F162 HydrophobicContact CB-CE2 4.19Å; A100-F162 HydrophobicContact CB-CZ 3.97Å; A102-F162 HydrophobicContact CB-CD2 4.27Å; A102-F162 HydrophobicContact CB-CE2 3.9Å; A102-F162 HydrophobicContact CB-CZ 4.41Å; I158-F162 HydrophobicContact CG2-CD2 4.19Å; I158-F162 WeakPolarHBondContact O-CB 3.07Å; I158-F162 WeakPolarHBondContact O-CD2 3.32Å; I158-F162 PolarHBondContact O-N 3.12Å; K159-F162 CarbonylContact O-C 3.58Å; F162-N164 VanDerWaalsContact C-N 3.27Å; F162-N164 PolarHBondContact O-N 3.3Å; F162-S165 WeakPolarHBondContact O-CB 3.24Å; F162-S165 PolarHBondContact O-N 2.94Å; F162-S165 VanDerWaalsContact O-N 3.12Å; F162-I167 HydrophobicContact CB-CD1 4.23Å
163P85.1Confident79.7Confident82 Ų8264.5 Ų64.553%0.53235%0.348SS..THydrogen-bonded Turntrans-66.9-24.2-17126.2-35.8000114.4K159 S165K159-P163 VanDerWaalsContact O-CA 3.32Å; K159-P163 WeakPolarHBondContact O-CA 3.17Å; P163-S165 VanDerWaalsContact C-N 3.32Å
164N75.6Confident78.9Confident163 Ų16371.5 Ų71.587%0.87238%0.38SS*.THydrogen-bonded Turntrans-92.25.3179.8-64.5-25.7000112.9F162F162-N164 VanDerWaalsContact C-N 3.27Å; F162-N164 PolarHBondContact O-N 3.3Å
165S63.1Low77.9Confident37 Ų3774.1 Ų74.126%0.25940%0.402SS..  trans-103.4121.8-173.8-62.70000109.9Q62 F162 P163 I167Q62-S165 PolarHBondContact NE2-OG 3.17Å; Q62-S165 PolarHBondContact OE1-OG 2.79Å; F162-S165 WeakPolarHBondContact O-CB 3.24Å; F162-S165 PolarHBondContact O-N 2.94Å; F162-S165 VanDerWaalsContact O-N 3.12Å; P163-S165 VanDerWaalsContact C-N 3.32Å; S165-I167 VanDerWaalsContact CB-CG1 3.42Å; S165-I167 PolarHBondContact O-N 3.08Å
166V60.2Low77.4Confident133 Ų13370.3 Ų70.381%0.80639%0.389SS*.  trans-73.980.4169.2-173.40000107.7
167I57.4Low76.9Confident24 Ų2472.8 Ų72.812%0.12340%0.402CS..  trans-108.640.7175.6-36.8-176000109.7R33 L61 Q62 A102 I158 F162 S165R33-I167 VanDerWaalsContact NH1-C 3.28Å; R33-I167 PolarHBondContact NH1-O 2.96Å; L61-I167 HydrophobicContact CD1-CG2 4.38Å; Q62-I167 VanDerWaalsContact CD-CD1 3.43Å; Q62-I167 HydrophobicContact CG-CD1 4.06Å; A102-I167 HydrophobicContact CB-CD1 4.16Å; I158-I167 HydrophobicContact CG2-CB 4.21Å; I158-I167 HydrophobicContact CG2-CD1 3.66Å; I158-I167 HydrophobicContact CG2-CG1 4.42Å; I158-I167 HydrophobicContact CG2-CG2 4.36Å; F162-I167 HydrophobicContact CB-CD1 4.23Å; S165-I167 VanDerWaalsContact CB-CG1 3.42Å; S165-I167 PolarHBondContact O-N 3.08Å
168E59.6Low76.3Confident90 Ų9077.2 Ų77.242%0.42143%0.426SS..SBendtrans-110.6147.3173.8-65.4-174.6-171.700108.8K159 I170K159-E168 IonicContact NZ-OE1 3.78Å; K159-E168 PolarHBondContact NZ-OE1 3.46Å; E168-I170 PolarHBondContact O-N 3.01Å; E168-I170 VanDerWaalsContact O-N 3.15Å
169P56.4Low75.6Confident60 Ų6083 Ų8339%0.3945%0.448SS..PPolyproline II helixtrans-57.9116.4148.228.3-30.1000106.1Y30 P171Y30-P169 HydrophobicContact CE2-CB 4.32Å; Y30-P169 HydrophobicContact CE2-CG 4.05Å; P169-P171 WeakPolarHBondContact O-CD 3.35Å
170I61.5Low75.1Confident116 Ų11681.2 Ų81.260%0.59544%0.444SS*.PPolyproline II helixtrans-50120175.2-61.5173.1000106.9E168 M172E168-I170 PolarHBondContact O-N 3.01Å; E168-I170 VanDerWaalsContact O-N 3.15Å; I170-M172 WeakPolarHBondContact O-CG 3.38Å; I170-M172 PolarHBondContact O-N 2.97Å
171P63Low74.7Confident53 Ų5379.6 Ų79.634%0.34445%0.449SS..PPolyproline II helixtrans-51.5131178.7-25.832.8000109P169 A175 A176P169-P171 WeakPolarHBondContact O-CD 3.35Å; P171-A175 HydrophobicContact CB-CB 4.34Å; P171-A176 HydrophobicContact CB-CB 4.22Å; P171-A176 WeakPolarHBondContact O-CB 3.45Å
172M66.9Low74.2Confident95 Ų9588.9 Ų88.947%0.46848%0.484SS..  trans-125.3157.5178.8-68.7-164.4-64.400110.3R28 I170 E174R28-M172 VanDerWaalsContact CZ-CE 3.48Å; R28-M172 PolarHBondContact NH1-SD 2.9Å; R28-M172 PolarHBondContact NH2-SD 2.62Å; R28-M172 VanDerWaalsContact NH2-SD 3.39Å; I170-M172 WeakPolarHBondContact O-CG 3.38Å; I170-M172 PolarHBondContact O-N 2.97Å; M172-E174 PolarHBondContact O-N 2.68Å
173G81.2Confident73.7Confident52 Ų5293 Ų9354%0.53650%0.502SS..THydrogen-bonded Turntrans62.5-126.9177.400000112.2A176 K177G173-A176 PolarHBondContact O-N 3.09Å; G173-K177 WeakPolarHBondContact O-CG 3.36Å; G173-K177 PolarHBondContact O-N 2.91Å
174E78.6Confident73.7Confident151 Ų15191.6 Ų91.671%0.70649%0.491SS*.Hα-helixtrans-67.5-42.2-174.3-164.3161-158.800112.5M172 A176 K177 D178M172-E174 PolarHBondContact O-N 2.68Å; E174-A176 VanDerWaalsContact C-N 3.25Å; E174-A176 PolarHBondContact O-N 3.01Å; E174-K177 WeakPolarHBondContact O-CB 3.22Å; E174-K177 PolarHBondContact O-N 3.32Å; E174-D178 PolarHBondContact O-N 2.72Å
175A74.1Confident74.5Confident58 Ų5886.4 Ų86.448%0.47947%0.468SS..Hα-helixtrans-59.7-35.3176.500000112.9P171 Y179P171-A175 HydrophobicContact CB-CB 4.34Å; A175-Y179 WeakPolarHBondContact O-CB 3.41Å; A175-Y179 PolarHBondContact O-N 2.72Å
176A80.6Confident75.9Confident24 Ų2487.8 Ų87.820%0.19848%0.476CS..Hα-helixtrans-67.5-44.1174.200000111.6P171 G173 E174 D178 Y179 L180P171-A176 HydrophobicContact CB-CB 4.22Å; P171-A176 WeakPolarHBondContact O-CB 3.45Å; G173-A176 PolarHBondContact O-N 3.09Å; E174-A176 VanDerWaalsContact C-N 3.25Å; E174-A176 PolarHBondContact O-N 3.01Å; A176-D178 VanDerWaalsContact C-N 3.35Å; A176-Y179 PolarHBondContact O-N 3.47Å; A176-L180 WeakPolarHBondContact O-CB 3.09Å; A176-L180 VanDerWaalsContact O-CG 3.23Å; A176-L180 WeakPolarHBondContact O-CG 3.24Å; A176-L180 PolarHBondContact O-N 3.43Å
177K83.6Confident77.5Confident155 Ų15582.9 Ų82.967%0.67445%0.447SS*.Hα-helixtrans-63.1-42.5178.2-70.5177.1-179.3179.80111.2G173 E174 L180 G181G173-K177 WeakPolarHBondContact O-CG 3.36Å; G173-K177 PolarHBondContact O-N 2.91Å; E174-K177 WeakPolarHBondContact O-CB 3.22Å; E174-K177 PolarHBondContact O-N 3.32Å; K177-L180 PolarHBondContact O-N 3.42Å; K177-G181 PolarHBondContact O-N 3.32Å
178D83.4Confident79.2Confident106 Ų10684.7 Ų84.757%0.56746%0.456SS*.Hα-helixtrans-64.5-45.5178.3-73.1-7.2000111.5E174 A176 G181 R182E174-D178 PolarHBondContact O-N 2.72Å; A176-D178 VanDerWaalsContact C-N 3.35Å; D178-G181 PolarHBondContact O-N 2.98Å; D178-R182 VanDerWaalsContact O-CB 3.22Å; D178-R182 WeakPolarHBondContact O-CB 3.35Å; D178-R182 PolarHBondContact O-N 3.42Å
179Y80.1Confident80.9Confident131 Ų13185.9 Ų85.951%0.51447%0.465SS..Hα-helixtrans-60.3-48.5176.1-177.7-89.6000111.4A175 A176 R182 F183 V184A175-Y179 WeakPolarHBondContact O-CB 3.41Å; A175-Y179 PolarHBondContact O-N 2.72Å; A176-Y179 PolarHBondContact O-N 3.47Å; Y179-R182 PolarHBondContact O-N 3.47Å; Y179-F183 AromaticContact CD2-CD2 3.53Å; Y179-F183 HydrophobicContact CD2-CD2 3.53Å; Y179-F183 AromaticContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CG 4.5Å; Y179-F183 HydrophobicContact CE2-CB 4.46Å; Y179-F183 AromaticContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CE2 4.26Å; Y179-F183 HydrophobicContact CE2-CG 4.29Å; Y179-F183 HydrophobicContact CG-CD2 4.09Å; Y179-F183 WeakPolarHBondContact O-CB 3.31Å; Y179-F183 WeakPolarHBondContact O-CD2 3.36Å; Y179-F183 PolarHBondContact O-N 2.96Å; Y179-V184 HydrophobicContact CD1-CG2 4.36Å; Y179-V184 HydrophobicContact CE1-CG2 3.98Å
180L83.2Confident82.7Confident88 Ų8886 Ų8646%0.46147%0.467SS..Iπ-helixtrans-59.7-50.4177.3-71.6172.4000110.6A176 K177 R182 V184 S185A176-L180 WeakPolarHBondContact O-CB 3.09Å; A176-L180 VanDerWaalsContact O-CG 3.23Å; A176-L180 WeakPolarHBondContact O-CG 3.24Å; A176-L180 PolarHBondContact O-N 3.43Å; K177-L180 PolarHBondContact O-N 3.42Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.34Å; L180-V184 HydrophobicContact CD2-CB 4Å; L180-V184 HydrophobicContact CD2-CG1 4.19Å; L180-V184 HydrophobicContact CD2-CG2 4.01Å; L180-V184 CarbonylContact O-C 3.56Å; L180-V184 WeakPolarHBondContact O-CA 3.35Å; L180-V184 PolarHBondContact O-N 3.43Å; L180-S185 WeakPolarHBondContact O-CB 3.46Å; L180-S185 PolarHBondContact O-N 2.89Å; L180-S185 PolarHBondContact O-OG 2.95Å
181G86.2Confident84.3Confident41 Ų4180.5 Ų80.542%0.42344%0.439SS..Iπ-helixtrans-59.8-37.6-179.200000113.3K177 D178 P186K177-G181 PolarHBondContact O-N 3.32Å; D178-G181 PolarHBondContact O-N 2.98Å; G181-P186 WeakPolarHBondContact O-CD 3.37Å
182R85.1Confident85.9Confident195 Ų19581.5 Ų81.574%0.73644%0.441SS*.Iπ-helixtrans-83.9-40-176.5-171.1168.8-179.7170.20.4113.7D178 Y179 L180D178-R182 VanDerWaalsContact O-CB 3.22Å; D178-R182 WeakPolarHBondContact O-CB 3.35Å; D178-R182 PolarHBondContact O-N 3.42Å; Y179-R182 PolarHBondContact O-N 3.47Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-R182 PolarHBondContact O-N 3.34Å
183F81.8Confident87.3Confident100 Ų10080.1 Ų80.144%0.43944%0.438SS..Iπ-helixtrans-115.9-19.7-167-58.4-72.1000114.6Y179Y179-F183 AromaticContact CD2-CD2 3.53Å; Y179-F183 HydrophobicContact CD2-CD2 3.53Å; Y179-F183 AromaticContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CE2 3.99Å; Y179-F183 HydrophobicContact CD2-CG 4.5Å; Y179-F183 HydrophobicContact CE2-CB 4.46Å; Y179-F183 AromaticContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CD2 3.69Å; Y179-F183 HydrophobicContact CE2-CE2 4.26Å; Y179-F183 HydrophobicContact CE2-CG 4.29Å; Y179-F183 HydrophobicContact CG-CD2 4.09Å; Y179-F183 WeakPolarHBondContact O-CB 3.31Å; Y179-F183 WeakPolarHBondContact O-CD2 3.36Å; Y179-F183 PolarHBondContact O-N 2.96Å
184V86.2Confident88Confident51 Ų5180 Ų8031%0.30942%0.423SS..Iπ-helixtrans-116-52.7-172.9-177.70000111.9Y179 L180 P186 T187 L188Y179-V184 HydrophobicContact CD1-CG2 4.36Å; Y179-V184 HydrophobicContact CE1-CG2 3.98Å; L180-V184 HydrophobicContact CD2-CB 4Å; L180-V184 HydrophobicContact CD2-CG1 4.19Å; L180-V184 HydrophobicContact CD2-CG2 4.01Å; L180-V184 CarbonylContact O-C 3.56Å; L180-V184 WeakPolarHBondContact O-CA 3.35Å; L180-V184 PolarHBondContact O-N 3.43Å; V184-P186 VanDerWaalsContact C-CD 3.47Å; V184-T187 PolarHBondContact O-N 2.62Å; V184-L188 HydrophobicContact CG1-CB 4.43Å; V184-L188 HydrophobicContact CG1-CD2 4.34Å; V184-L188 VanDerWaalsContact O-CB 3.29Å; V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 PolarHBondContact O-N 3.23Å
185S92Very high88.8Confident54 Ų5474 Ų7438%0.37840%0.396SS..Hα-helixtrans-56.3-41.1-173-63.70000114.4L180 T187 L189L180-S185 WeakPolarHBondContact O-CB 3.46Å; L180-S185 PolarHBondContact O-N 2.89Å; L180-S185 PolarHBondContact O-OG 2.95Å; S185-T187 PolarHBondContact O-N 2.89Å; S185-L189 WeakPolarHBondContact O-CB 3.21Å; S185-L189 PolarHBondContact O-N 3.01Å
186P93.8Very high89.7Confident67 Ų6775.7 Ų75.744%0.43540%0.403SS..Hα-helixtrans-61.5-48-178.3-24.635.5000113G181 V184 S190G181-P186 WeakPolarHBondContact O-CD 3.37Å; V184-P186 VanDerWaalsContact C-CD 3.47Å; P186-S190 PolarHBondContact O-N 3.16Å; P186-S190 PolarHBondContact O-OG 3.39Å
187T92.8Very high90.4Very high30 Ų3081.1 Ų81.118%0.18442%0.422CS..Hα-helixtrans-72.8-42.3179.7-51.80000111.1V184 S185 S190 G191 W210 L211 N214V184-T187 PolarHBondContact O-N 2.62Å; S185-T187 PolarHBondContact O-N 2.89Å; T187-S190 PolarHBondContact O-N 3.25Å; T187-G191 PolarHBondContact O-N 3.07Å; T187-W210 HydrophobicContact CG2-CZ3 4.09Å; T187-W210 WeakPolarHBondContact O-CZ3 3.3Å; T187-L211 HydrophobicContact CG2-CD2 4.01Å; T187-N214 WeakPolarHBondContact CG2-O 3.38Å
188L93.9Very high91Very high61 Ų6178.8 Ų78.832%0.31941%0.414SS..Hα-helixtrans-63.4-44.5179.5-178.860.6000112.3V184 S190 G191 L192 L211V184-L188 HydrophobicContact CG1-CB 4.43Å; V184-L188 HydrophobicContact CG1-CD2 4.34Å; V184-L188 VanDerWaalsContact O-CB 3.29Å; V184-L188 WeakPolarHBondContact O-CB 3.33Å; V184-L188 PolarHBondContact O-N 3.23Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.21Å; L188-G191 PolarHBondContact O-N 3.32Å; L188-L192 HydrophobicContact CD1-CD1 4.19Å; L188-L192 HydrophobicContact CD1-CG 4.17Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.39Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 WeakPolarHBondContact O-CG 3.46Å; L188-L192 PolarHBondContact O-N 3.46Å; L188-L211 HydrophobicContact CD1-CD1 4.16Å; L188-L211 HydrophobicContact CD1-CD2 4.41Å
189L94.5Very high91.5Very high116 Ų11681.8 Ų81.861%0.60742%0.422SS*.Hα-helixtrans-63.1-39.6178.6-175.964.7000111.3S185 T193S185-L189 WeakPolarHBondContact O-CB 3.21Å; S185-L189 PolarHBondContact O-N 3.01Å; L189-T193 VanDerWaalsContact O-CB 3.32Å; L189-T193 WeakPolarHBondContact O-CB 3.43Å; L189-T193 PolarHBondContact O-N 3.02Å; L189-T193 PolarHBondContact O-OG1 3.49Å
190S94.4Very high92.2Very high63 Ų6377 Ų7744%0.44141%0.407SS..Hα-helixtrans-62.7-45.5175.6-59.50000111.4P186 T187 L188 T193 E194P186-S190 PolarHBondContact O-N 3.16Å; P186-S190 PolarHBondContact O-OG 3.39Å; T187-S190 PolarHBondContact O-N 3.25Å; L188-S190 VanDerWaalsContact C-N 3.3Å; L188-S190 PolarHBondContact O-N 3.21Å; S190-T193 WeakPolarHBondContact O-CB 3.47Å; S190-T193 PolarHBondContact O-N 3.37Å; S190-E194 PolarHBondContact O-N 3.14Å
191G95.4Very high92.7Very high0 Ų080.3 Ų80.30%043%0.43CS..Hα-helixtrans-64.8-43.3177.400000113.2T187 L188 T193 E194 L195 L207 W210T187-G191 PolarHBondContact O-N 3.07Å; L188-G191 PolarHBondContact O-N 3.32Å; G191-T193 VanDerWaalsContact C-N 3.33Å; G191-T193 PolarHBondContact O-N 3.01Å; G191-E194 PolarHBondContact O-N 2.66Å; G191-L195 WeakPolarHBondContact O-CB 3.42Å; G191-L195 PolarHBondContact O-N 3.24Å; G191-L207 VanDerWaalsContact C-CD1 3.49Å; G191-W210 VanDerWaalsContact N-CZ3 3.31Å
192L95.9Very high93.1Very high73 Ų7382 Ų8238%0.38243%0.43SS..Hα-helixtrans-63.9-38.8175.3-72.7171.8000112.1L188 E194 L195 C196 L207L188-L192 HydrophobicContact CD1-CD1 4.19Å; L188-L192 HydrophobicContact CD1-CG 4.17Å; L188-L192 HydrophobicContact CG-CD1 3.97Å; L188-L192 HydrophobicContact CG-CG 4.39Å; L188-L192 WeakPolarHBondContact O-CB 3.39Å; L188-L192 WeakPolarHBondContact O-CG 3.46Å; L188-L192 PolarHBondContact O-N 3.46Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 2.94Å; L192-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 PolarHBondContact O-N 2.82Å; L192-C196 PolarHBondContact O-N 2.63Å; L192-C196 PolarHBondContact O-SG 3.3Å; L192-C196 VanDerWaalsContact O-SG 3.34Å; L192-L207 HydrophobicContact CD2-CD2 3.71Å; L192-L207 HydrophobicContact CG-CD2 4.44Å
193T96.1Very high93.5Very high67 Ų6775.3 Ų75.341%0.41141%0.412SS..Hα-helixtrans-61.6-44.2175.4-60.80000110.6L189 S190 G191 C196 K197L189-T193 VanDerWaalsContact O-CB 3.32Å; L189-T193 WeakPolarHBondContact O-CB 3.43Å; L189-T193 PolarHBondContact O-N 3.02Å; L189-T193 PolarHBondContact O-OG1 3.49Å; S190-T193 WeakPolarHBondContact O-CB 3.47Å; S190-T193 PolarHBondContact O-N 3.37Å; G191-T193 VanDerWaalsContact C-N 3.33Å; G191-T193 PolarHBondContact O-N 3.01Å; T193-C196 PolarHBondContact O-N 3.4Å; T193-K197 WeakPolarHBondContact O-CG 3.25Å; T193-K197 PolarHBondContact O-N 2.96Å
194E96.3Very high94Very high49 Ų4979 Ų7923%0.22943%0.428CS..Hα-helixtrans-71.6-37.3179.9-164.757.9-152.100112.3S190 G191 L192 C196 K197 Q198 W206S190-E194 PolarHBondContact O-N 3.14Å; G191-E194 PolarHBondContact O-N 2.66Å; L192-E194 VanDerWaalsContact C-N 3.32Å; L192-E194 PolarHBondContact O-N 2.94Å; E194-C196 VanDerWaalsContact C-N 3.32Å; E194-C196 PolarHBondContact O-N 3.36Å; E194-K197 WeakPolarHBondContact O-CB 3.34Å; E194-K197 PolarHBondContact O-N 3.44Å; E194-K197 VanDerWaalsContact O-N 3.1Å; E194-K197 WeakPolarHBondContact OE2-CD 3.46Å; E194-K197 IonicContact OE2-NZ 3.63Å; E194-K197 PolarHBondContact OE2-NZ 3.5Å; E194-Q198 PolarHBondContact O-N 3.3Å; E194-Q198 PolarHBondContact OE1-NE2 2.88Å; E194-W206 HydrophobicContact CB-CH2 3.82Å; E194-W206 HydrophobicContact CG-CH2 3.63Å; E194-W206 HydrophobicContact CG-CZ2 4.18Å
195L94.9Very high94.3Very high25 Ų2580.1 Ų80.113%0.13144%0.435CS..Hα-helixtrans-57.2-45.5172.8-179.969.3000111.6G191 L192 K197 Q198 K199 P200 P203 W206 L207G191-L195 WeakPolarHBondContact O-CB 3.42Å; G191-L195 PolarHBondContact O-N 3.24Å; L192-L195 HydrophobicContact CD2-CD2 4.41Å; L192-L195 PolarHBondContact O-N 2.82Å; L195-K197 PolarHBondContact O-N 3.48Å; L195-Q198 PolarHBondContact O-N 3.32Å; L195-K199 PolarHBondContact O-N 3.23Å; L195-P200 HydrophobicContact CD1-CG 3.49Å; L195-P200 VanDerWaalsContact CD1-CG 3.49Å; L195-P203 HydrophobicContact CD1-CB 3.78Å; L195-P203 HydrophobicContact CD2-CB 4.1Å; L195-P203 HydrophobicContact CG-CB 4.37Å; L195-W206 HydrophobicContact CB-CE3 4.03Å; L195-W206 HydrophobicContact CB-CZ3 3.72Å; L195-W206 HydrophobicContact CD1-CD2 4.12Å; L195-W206 HydrophobicContact CD1-CE3 3.44Å; L195-W206 VanDerWaalsContact CD1-CE3 3.44Å; L195-W206 HydrophobicContact CD1-CZ3 4.04Å; L195-W206 HydrophobicContact CG-CE3 4.34Å; L195-L207 HydrophobicContact CD2-CB 4.34Å; L195-L207 HydrophobicContact CD2-CD2 4.29Å
196C94.4Very high94.6Very high93 Ų9379.9 Ų79.963%0.62843%0.426SS*.Hα-helixtrans-63.3-29.2177.5-75.40000113.3L192 T193 E194 K199L192-C196 PolarHBondContact O-N 2.63Å; L192-C196 PolarHBondContact O-SG 3.3Å; L192-C196 VanDerWaalsContact O-SG 3.34Å; T193-C196 PolarHBondContact O-N 3.4Å; E194-C196 VanDerWaalsContact C-N 3.32Å; E194-C196 PolarHBondContact O-N 3.36Å; C196-K199 WeakPolarHBondContact O-CE 3.47Å; C196-K199 WeakPolarHBondContact O-CG 3.14Å
197K94.9Very high94.6Very high139 Ų13978 Ų7860%0.60441%0.412SS*.Hα-helixtrans-76.5-47.6175.5-67175.6-162.3158.60111.8T193 E194 L195T193-K197 WeakPolarHBondContact O-CG 3.25Å; T193-K197 PolarHBondContact O-N 2.96Å; E194-K197 WeakPolarHBondContact O-CB 3.34Å; E194-K197 PolarHBondContact O-N 3.44Å; E194-K197 VanDerWaalsContact O-N 3.1Å; E194-K197 WeakPolarHBondContact OE2-CD 3.46Å; E194-K197 IonicContact OE2-NZ 3.63Å; E194-K197 PolarHBondContact OE2-NZ 3.5Å; L195-K197 PolarHBondContact O-N 3.48Å
198Q94.9Very high94.6Very high105 Ų10579 Ų7949%0.49142%0.423SS..Hα-helixtrans-79.6-30.2-173-63.8-161.623.100113.3E194 L195 W206E194-Q198 PolarHBondContact O-N 3.3Å; E194-Q198 PolarHBondContact OE1-NE2 2.88Å; L195-Q198 PolarHBondContact O-N 3.32Å; Q198-W206 HydrophobicContact CB-CZ2 4.4Å; Q198-W206 VanDerWaalsContact CD-CZ2 3.45Å; Q198-W206 HydrophobicContact CG-CZ2 4.18Å
199K94.5Very high94.5Very high170 Ų17079.7 Ų79.774%0.73943%0.427SS*.  trans46.755.4-178.9-58.1-178.7-178.6176.60112.8L195 C196L195-K199 PolarHBondContact O-N 3.23Å; C196-K199 WeakPolarHBondContact O-CE 3.47Å; C196-K199 WeakPolarHBondContact O-CG 3.14Å
200P94.8Very high94.5Very high31 Ų3176.2 Ų76.220%0.20141%0.406CS..  trans-63.8157.2-179.731.4-38.4000111.4L195 D202 W206L195-P200 HydrophobicContact CD1-CG 3.49Å; L195-P200 VanDerWaalsContact CD1-CG 3.49Å; P200-D202 VanDerWaalsContact C-N 3.25Å; P200-D202 PolarHBondContact O-N 2.8Å; P200-W206 HydrophobicContact CB-CB 3.99Å; P200-W206 HydrophobicContact CB-CG 3.86Å; P200-W206 HydrophobicContact CG-CB 3.62Å; P200-W206 HydrophobicContact CG-CD2 3.95Å; P200-W206 HydrophobicContact CG-CE3 4.48Å; P200-W206 HydrophobicContact CG-CG 3.53Å
201V93.6Very high94.4Very high157 Ų15775.7 Ų75.795%0.95240%0.398SS*.SBendtrans-61.7-34.9179.7-178.80000111.9P203V201-P203 WeakPolarHBondContact O-CD 3.4Å
202D95.6Very high94.1Very high76 Ų7679.7 Ų79.741%0.40642%0.422SS..  trans-117.691.6172.1-174.7-11.4000110.5P200 F204 T205 W206P200-D202 VanDerWaalsContact C-N 3.25Å; P200-D202 PolarHBondContact O-N 2.8Å; D202-F204 VanDerWaalsContact C-N 3.28Å; D202-F204 PolarHBondContact O-N 3.09Å; D202-F204 PolarHBondContact OD1-N 3.17Å; D202-F204 VanDerWaalsContact OD1-N 3.14Å; D202-T205 VanDerWaalsContact CG-OG1 3.27Å; D202-T205 PolarHBondContact OD1-N 3.49Å; D202-T205 VanDerWaalsContact OD1-N 3.13Å; D202-T205 PolarHBondContact OD1-OG1 3.04Å; D202-T205 VanDerWaalsContact OD2-CB 3.23Å; D202-T205 WeakPolarHBondContact OD2-CB 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.08Å; D202-W206 WeakPolarHBondContact O-CB 3.26Å; D202-W206 PolarHBondContact O-N 3.19Å; D202-W206 VanDerWaalsContact O-N 3.13Å
203P93.1Very high93.8Very high55 Ų5584.9 Ų84.936%0.35744%0.437SS..Hα-helixtrans-61.8-31.4-179.8-26.736.5000114.7L195 V201 L207L195-P203 HydrophobicContact CD1-CB 3.78Å; L195-P203 HydrophobicContact CD2-CB 4.1Å; L195-P203 HydrophobicContact CG-CB 4.37Å; V201-P203 WeakPolarHBondContact O-CD 3.4Å; P203-L207 WeakPolarHBondContact O-CB 3.24Å; P203-L207 PolarHBondContact O-N 3.03Å
204F92.3Very high93.5Very high177 Ų17785.5 Ų85.578%0.77644%0.437SS*.Hα-helixtrans-75.7-51.4-174.9-68.9-73.6000110.9D202 W206 L207 A208D202-F204 VanDerWaalsContact C-N 3.28Å; D202-F204 PolarHBondContact O-N 3.09Å; D202-F204 PolarHBondContact OD1-N 3.17Å; D202-F204 VanDerWaalsContact OD1-N 3.14Å; F204-W206 VanDerWaalsContact C-N 3.31Å; F204-W206 PolarHBondContact O-N 3.22Å; F204-L207 PolarHBondContact O-N 3.25Å; F204-A208 WeakPolarHBondContact O-CB 3.49Å; F204-A208 PolarHBondContact O-N 3.21Å
205T92.8Very high93Very high74 Ų7486.3 Ų86.345%0.45444%0.443SS..Hα-helixtrans-63.2-42.2178.3-56.80000110.5D202 L207 A208 D209D202-T205 VanDerWaalsContact CG-OG1 3.27Å; D202-T205 PolarHBondContact OD1-N 3.49Å; D202-T205 VanDerWaalsContact OD1-N 3.13Å; D202-T205 PolarHBondContact OD1-OG1 3.04Å; D202-T205 VanDerWaalsContact OD2-CB 3.23Å; D202-T205 WeakPolarHBondContact OD2-CB 3.42Å; D202-T205 PolarHBondContact OD2-OG1 3.08Å; T205-L207 PolarHBondContact O-N 3.32Å; T205-A208 PolarHBondContact O-N 3.41Å; T205-D209 PolarHBondContact O-N 2.96Å
206W96.7Very high92.4Very high50 Ų5089.5 Ų89.519%0.18947%0.466CS..Hα-helixtrans-61.3-45177.3-174.9101.1000112.2E194 L195 Q198 P200 D202 F204 D209 W210E194-W206 HydrophobicContact CB-CH2 3.82Å; E194-W206 HydrophobicContact CG-CH2 3.63Å; E194-W206 HydrophobicContact CG-CZ2 4.18Å; L195-W206 HydrophobicContact CB-CE3 4.03Å; L195-W206 HydrophobicContact CB-CZ3 3.72Å; L195-W206 HydrophobicContact CD1-CD2 4.12Å; L195-W206 HydrophobicContact CD1-CE3 3.44Å; L195-W206 VanDerWaalsContact CD1-CE3 3.44Å; L195-W206 HydrophobicContact CD1-CZ3 4.04Å; L195-W206 HydrophobicContact CG-CE3 4.34Å; Q198-W206 HydrophobicContact CB-CZ2 4.4Å; Q198-W206 VanDerWaalsContact CD-CZ2 3.45Å; Q198-W206 HydrophobicContact CG-CZ2 4.18Å; P200-W206 HydrophobicContact CB-CB 3.99Å; P200-W206 HydrophobicContact CB-CG 3.86Å; P200-W206 HydrophobicContact CG-CB 3.62Å; P200-W206 HydrophobicContact CG-CD2 3.95Å; P200-W206 HydrophobicContact CG-CE3 4.48Å; P200-W206 HydrophobicContact CG-CG 3.53Å; D202-W206 WeakPolarHBondContact O-CB 3.26Å; D202-W206 PolarHBondContact O-N 3.19Å; D202-W206 VanDerWaalsContact O-N 3.13Å; F204-W206 VanDerWaalsContact C-N 3.31Å; F204-W206 PolarHBondContact O-N 3.22Å; W206-D209 PolarHBondContact O-N 3.46Å; W206-W210 HydrophobicContact CE3-CB 4.17Å; W206-W210 HydrophobicContact CH2-CB 4.09Å; W206-W210 AromaticContact CH2-CD1 3.22Å; W206-W210 AromaticContact CH2-CG 3.74Å; W206-W210 HydrophobicContact CH2-CG 3.74Å; W206-W210 AromaticContact CH2-NE1 3.88Å; W206-W210 AromaticContact CZ2-CD1 3.71Å; W206-W210 HydrophobicContact CZ2-CG 4.44Å; W206-W210 HydrophobicContact CZ3-CB 3.85Å; W206-W210 AromaticContact CZ3-CD1 3.84Å; W206-W210 AromaticContact CZ3-CG 3.87Å; W206-W210 HydrophobicContact CZ3-CG 3.87Å; W206-W210 VanDerWaalsContact O-CB 3.31Å; W206-W210 WeakPolarHBondContact O-CB 3.46Å; W206-W210 PolarHBondContact O-N 2.78Å
207L94.7Very high91.4Very high27 Ų2790.9 Ų90.914%0.14147%0.467CS..Hα-helixtrans-67.5-39.9179.7-17963.3000111.3G191 L192 L195 P203 F204 T205 W210 L211G191-L207 VanDerWaalsContact C-CD1 3.49Å; L192-L207 HydrophobicContact CD2-CD2 3.71Å; L192-L207 HydrophobicContact CG-CD2 4.44Å; L195-L207 HydrophobicContact CD2-CB 4.34Å; L195-L207 HydrophobicContact CD2-CD2 4.29Å; P203-L207 WeakPolarHBondContact O-CB 3.24Å; P203-L207 PolarHBondContact O-N 3.03Å; F204-L207 PolarHBondContact O-N 3.25Å; T205-L207 PolarHBondContact O-N 3.32Å; L207-W210 PolarHBondContact O-N 3.34Å; L207-L211 HydrophobicContact CD1-CD1 4.32Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 4.02Å; L207-L211 HydrophobicContact CG-CG 4.33Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.08Å
208A92.3Very high90.4Very high52 Ų5290.2 Ų90.243%0.4346%0.464SS..Hα-helixtrans-58.7-50.1175.700000111.2F204 T205 W210 L211 V212F204-A208 WeakPolarHBondContact O-CB 3.49Å; F204-A208 PolarHBondContact O-N 3.21Å; T205-A208 PolarHBondContact O-N 3.41Å; A208-W210 VanDerWaalsContact C-N 3.33Å; A208-W210 PolarHBondContact O-N 3.16Å; A208-L211 PolarHBondContact O-N 3.36Å; A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 3.06Å
209D92.4Very high88.4Confident74 Ų7490.3 Ų90.340%0.39647%0.474SS..Hα-helixtrans-60-43.1176.1-80-7000112T205 W206 L211 V212 R213T205-D209 PolarHBondContact O-N 2.96Å; W206-D209 PolarHBondContact O-N 3.46Å; D209-L211 PolarHBondContact O-N 3.11Å; D209-V212 PolarHBondContact O-N 3.01Å; D209-R213 WeakPolarHBondContact O-CG 3.18Å; D209-R213 PolarHBondContact O-N 2.99Å; D209-R213 IonicContact OD2-NH2 3.05Å
210W94.3Very high86.5Confident43 Ų4389.7 Ų89.716%0.16347%0.473CS..Hα-helixtrans-60.6-46.1178.2-170.599.4000111.2T187 G191 W206 L207 A208 V212 R213 N214T187-W210 HydrophobicContact CG2-CZ3 4.09Å; T187-W210 WeakPolarHBondContact O-CZ3 3.3Å; G191-W210 VanDerWaalsContact N-CZ3 3.31Å; W206-W210 HydrophobicContact CE3-CB 4.17Å; W206-W210 HydrophobicContact CH2-CB 4.09Å; W206-W210 AromaticContact CH2-CD1 3.22Å; W206-W210 AromaticContact CH2-CG 3.74Å; W206-W210 HydrophobicContact CH2-CG 3.74Å; W206-W210 AromaticContact CH2-NE1 3.88Å; W206-W210 AromaticContact CZ2-CD1 3.71Å; W206-W210 HydrophobicContact CZ2-CG 4.44Å; W206-W210 HydrophobicContact CZ3-CB 3.85Å; W206-W210 AromaticContact CZ3-CD1 3.84Å; W206-W210 AromaticContact CZ3-CG 3.87Å; W206-W210 HydrophobicContact CZ3-CG 3.87Å; W206-W210 VanDerWaalsContact O-CB 3.31Å; W206-W210 WeakPolarHBondContact O-CB 3.46Å; W206-W210 PolarHBondContact O-N 2.78Å; L207-W210 PolarHBondContact O-N 3.34Å; A208-W210 VanDerWaalsContact C-N 3.33Å; A208-W210 PolarHBondContact O-N 3.16Å; W210-V212 PolarHBondContact O-N 2.88Å; W210-R213 PolarHBondContact O-N 2.75Å; W210-N214 HydrophobicContact CD2-CB 4.39Å; W210-N214 HydrophobicContact CE3-CB 4.07Å; W210-N214 HydrophobicContact CH2-CB 3.82Å; W210-N214 HydrophobicContact CZ2-CB 4.2Å; W210-N214 HydrophobicContact CZ3-CB 3.75Å; W210-N214 WeakPolarHBondContact O-CB 3.29Å; W210-N214 PolarHBondContact O-N 3.27Å; W210-N214 PolarHBondContact O-ND2 2.95Å
211L92.8Very high84.3Confident52 Ų5294.9 Ų94.927%0.27250%0.498SS..Hα-helixtrans-64.6-39.4178.9-71.1170.8000111.9T187 L188 L207 A208 D209 N214 N215T187-L211 HydrophobicContact CG2-CD2 4.01Å; L188-L211 HydrophobicContact CD1-CD1 4.16Å; L188-L211 HydrophobicContact CD1-CD2 4.41Å; L207-L211 HydrophobicContact CD1-CD1 4.32Å; L207-L211 HydrophobicContact CD1-CG 4.19Å; L207-L211 HydrophobicContact CG-CD1 4.02Å; L207-L211 HydrophobicContact CG-CG 4.33Å; L207-L211 WeakPolarHBondContact O-CB 3.39Å; L207-L211 VanDerWaalsContact O-CG 3.23Å; L207-L211 WeakPolarHBondContact O-CG 3.4Å; L207-L211 PolarHBondContact O-N 3.08Å; A208-L211 PolarHBondContact O-N 3.36Å; D209-L211 PolarHBondContact O-N 3.11Å; L211-N214 CarbonylContact O-C 3.56Å; L211-N214 PolarHBondContact O-N 3.02Å; L211-N215 WeakPolarHBondContact O-CB 3.18Å; L211-N215 PolarHBondContact O-N 3.09Å; L211-N215 VanDerWaalsContact O-N 3.09Å
212V89.3Confident82Confident84 Ų8495.7 Ų95.751%0.50949%0.489SS..Hα-helixtrans-64.6-41.7176.6171.70000111.4A208 D209 W210A208-V212 WeakPolarHBondContact O-CG2 3.27Å; A208-V212 PolarHBondContact O-N 3.06Å; D209-V212 PolarHBondContact O-N 3.01Å; W210-V212 PolarHBondContact O-N 2.88Å
213R89.8Confident79.6Confident183 Ų18399 Ų9969%0.69151%0.507SS*.Hα-helixtrans-70.9-33178.7-70.3175.7-165.6146.911.6113D209 W210D209-R213 WeakPolarHBondContact O-CG 3.18Å; D209-R213 PolarHBondContact O-N 2.99Å; D209-R213 IonicContact OD2-NH2 3.05Å; W210-R213 PolarHBondContact O-N 2.75Å
214N89.6Confident77Confident79 Ų7999.7 Ų99.742%0.42252%0.524SS..THydrogen-bonded Turntrans-103.921.7-176.5-65.4-86.3000112.8T187 W210 L211 P216T187-N214 WeakPolarHBondContact CG2-O 3.38Å; W210-N214 HydrophobicContact CD2-CB 4.39Å; W210-N214 HydrophobicContact CE3-CB 4.07Å; W210-N214 HydrophobicContact CH2-CB 3.82Å; W210-N214 HydrophobicContact CZ2-CB 4.2Å; W210-N214 HydrophobicContact CZ3-CB 3.75Å; W210-N214 WeakPolarHBondContact O-CB 3.29Å; W210-N214 PolarHBondContact O-N 3.27Å; W210-N214 PolarHBondContact O-ND2 2.95Å; L211-N214 CarbonylContact O-C 3.56Å; L211-N214 PolarHBondContact O-N 3.02Å; N214-P216 VanDerWaalsContact O-CD 3.26Å; N214-P216 WeakPolarHBondContact O-CD 3.48Å
215N84.6Confident74.4Confident66 Ų6696.1 Ų96.135%0.35353%0.527SS..  trans-73113.4178.7-176.6-8.2000110.2L211 N217 K218L211-N215 WeakPolarHBondContact O-CB 3.18Å; L211-N215 PolarHBondContact O-N 3.09Å; L211-N215 VanDerWaalsContact O-N 3.09Å; N215-N217 PolarHBondContact O-N 3.01Å; N215-N217 VanDerWaalsContact O-N 3.14Å; N215-N217 WeakPolarHBondContact OD1-CB 3.34Å; N215-N217 PolarHBondContact OD1-N 2.86Å; N215-K218 HydrophobicContact CB-CB 4.15Å; N215-K218 PolarHBondContact O-N 3.3Å
216P82.4Confident71.9Confident93 Ų9398.9 Ų98.960%0.60454%0.544SS*.THydrogen-bonded Turntrans-67.3-15.2-178.129.5-36.2000113.3N214N214-P216 VanDerWaalsContact O-CD 3.26Å; N214-P216 WeakPolarHBondContact O-CD 3.48Å
217N75.1Confident69.1Low122 Ų122100.4 Ų100.465%0.65258%0.575SS**THydrogen-bonded Turntrans-95.2-1.2-179.4-55.8-60.9000113.1N215N215-N217 PolarHBondContact O-N 3.01Å; N215-N217 VanDerWaalsContact O-N 3.14Å; N215-N217 WeakPolarHBondContact OD1-CB 3.34Å; N215-N217 PolarHBondContact OD1-N 2.86Å
218K72.2Confident66.6Low124 Ų124108.1 Ų108.154%0.53961%0.61SS.*SBendtrans-98.4128.7177.3-156.7177.3-175.4-173.90109.1N215 Q220N215-K218 HydrophobicContact CB-CB 4.15Å; N215-K218 PolarHBondContact O-N 3.3Å; K218-Q220 PolarHBondContact O-N 3.21Å
219P54.6Low64.1Low108 Ų108115.1 Ų115.170%0.70163%0.634SS**  trans-62131.2174.922.8-30.3000110.1I221P219-I221 PolarHBondContact O-N 2.92Å
220Q54.6Low61.4Low157 Ų157116.6 Ų116.673%0.73466%0.657SS**  trans-79105.5173-67.6-175.37.900108.5K218 F222K218-Q220 PolarHBondContact O-N 3.21Å; Q220-F222 HydrophobicContact CB-CD2 4.43Å; Q220-F222 HydrophobicContact CB-CE2 4.25Å; Q220-F222 PolarHBondContact O-N 3.41Å
221I48.5Very low58.7Low139 Ų139123 Ų12371%0.71372%0.719SS**  trans-81106.3169.9-55.2178.3000106.1P219 D223P219-I221 PolarHBondContact O-N 2.92Å; I221-D223 PolarHBondContact O-N 3.13Å
222F43.8Very low57Low174 Ų174126.6 Ų126.676%0.76374%0.741SS**  trans-80.7103.1166.3-83.8-88.6000107.6Q220 G224Q220-F222 HydrophobicContact CB-CD2 4.43Å; Q220-F222 HydrophobicContact CB-CE2 4.25Å; Q220-F222 PolarHBondContact O-N 3.41Å; F222-G224 PolarHBondContact O-N 3.2Å; F222-G224 VanDerWaalsContact O-N 3.07Å
223D45.6Very low55.4Low146 Ų146128.8 Ų128.878%0.78175%0.754SS**  trans-68.9103.9164.4-72.3-27.6000107.1I221 A225I221-D223 PolarHBondContact O-N 3.13Å; D223-A225 PolarHBondContact O-N 3.4Å
224G39.1Very low53.4Low70 Ų70125.8 Ų125.872%0.72276%0.757SS**  trans-63.599173.800000109.5F222 T226F222-G224 PolarHBondContact O-N 3.2Å; F222-G224 VanDerWaalsContact O-N 3.07Å; G224-T226 PolarHBondContact O-N 3.31Å
225A37.6Very low51.3Low101 Ų101128.6 Ų128.684%0.83578%0.777SS**  trans-63.3103.3162.800000107.6D223 G227D223-A225 PolarHBondContact O-N 3.4Å; A225-G227 PolarHBondContact O-N 2.95Å
226T40.5Very low49.2Very low133 Ų133132.5 Ų132.582%0.81680%0.803SS**  trans-55.6123.7166.143.70000108.7G224 E228G224-T226 PolarHBondContact O-N 3.31Å; T226-E228 PolarHBondContact O-N 3.12Å
227G37.2Very low47Very low81 Ų81135.1 Ų135.184%0.83582%0.816SS**  trans-61.1122.1177.400000111.8A225A225-G227 PolarHBondContact O-N 2.95Å
228E42.4Very low45Very low190 Ų190136.1 Ų136.189%0.88883%0.828SS**  trans-96.4108.2150.4-81.2-177.3152.800107T226T226-E228 PolarHBondContact O-N 3.12Å
229E39.9Very low42.9Very low199 Ų199137 Ų13793%0.9385%0.85SS**  trans-176.893.8143.6-104.6177.1-17100108
230A35.7Very low41.9Very low105 Ų105139.4 Ų139.487%0.86886%0.863SS**  trans-124.9106.715500000106.5
231A38.4Very low40.8Very low178 Ų178137.8 Ų137.8100%1.47188%0.875SS**  trans-75.20159.300000110

Retrieved 231 of 231 residues in 1186.1 ms (Link to these results)

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