A0A087XDV1_POEFO Loading...

Cell death inducing DFFA like effector c

AlphaFold DB , UniProt , Accession A0A087XDV1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 249 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
1M45.1Very low48.8Very low248 Ų248121.5 Ų121.5100%1.22268%0.681SS**  042.10-67.3155.870.100112
2S47.5Very low49.3Very low106 Ų106125.1 Ų125.174%0.74168%0.683SS**  trans-121.8-17.1-175.9-164.10000113.8
3A43.4Very low49.4Very low91 Ų91120.4 Ų120.475%0.75267%0.665SS**Hα-helixtrans-79.9-20.8-176.500000114.7
4S47.6Very low49.4Very low83 Ų83120.2 Ų120.258%0.5866%0.662SS**Hα-helixtrans-70.4-39.8179-1730000112.2H6 M7 D8S4-H6 VanDerWaalsContact C-N 3.32Å; S4-H6 PolarHBondContact O-N 3.16Å; S4-M7 PolarHBondContact O-N 2.95Å; S4-D8 PolarHBondContact O-N 3.29Å
5A48Very low49.4Very low73 Ų73116.1 Ų116.160%0.60365%0.645SS**Hα-helixtrans-70.6-24.8-171.800000113.9
6H47.4Very low49.4Very low155 Ų155116.9 Ų116.972%0.71865%0.647SS**Hα-helixtrans-80.3-33-179.4-163.9-95.6000112.5S4 A10S4-H6 VanDerWaalsContact C-N 3.32Å; S4-H6 PolarHBondContact O-N 3.16Å; H6-A10 PolarHBondContact O-N 2.91Å
7M46.5Very low49.1Very low132 Ų132118.1 Ų118.165%0.6565%0.651SS**Hα-helixtrans-72.3-36.5177.5-163.1177.276.800111.7S4 Y9 A10 M11S4-M7 PolarHBondContact O-N 2.95Å; M7-Y9 VanDerWaalsContact C-N 3.3Å; M7-Y9 PolarHBondContact O-N 2.69Å; M7-A10 PolarHBondContact O-N 3.35Å; M7-M11 PolarHBondContact O-N 3.42Å
8D50.6Low48.9Very low85 Ų85114.7 Ų114.746%0.45563%0.634SS.*Hα-helixtrans-67.1-29.6178.4-69.1-41.1000113S4 K12S4-D8 PolarHBondContact O-N 3.29Å; D8-K12 PolarHBondContact O-N 3.1Å
9Y54.2Low48.8Very low181 Ų181114.8 Ų114.871%0.7164%0.641SS**Hα-helixtrans-72.9-40.3176.2-173.9-99.3000112.3M7 K12 S13M7-Y9 VanDerWaalsContact C-N 3.3Å; M7-Y9 PolarHBondContact O-N 2.69Å; Y9-K12 PolarHBondContact O-N 3.04Å; Y9-S13 PolarHBondContact O-OG 3.23Å
10A52.1Low48.6Very low46 Ų46114 Ų11438%0.3864%0.643SS.*Hα-helixtrans-70-33.7176.200000112.4H6 M7 K12 S13 L14H6-A10 PolarHBondContact O-N 2.91Å; M7-A10 PolarHBondContact O-N 3.35Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 3.36Å; A10-S13 WeakPolarHBondContact CA-OG 3.2Å; A10-S13 PolarHBondContact O-N 3.03Å; A10-S13 PolarHBondContact O-OG 3.28Å; A10-S13 VanDerWaalsContact O-OG 3.09Å; A10-L14 PolarHBondContact O-N 3.35Å
11M53.9Low48.4Very low137 Ų137111 Ų11168%0.67563%0.63SS**Hα-helixtrans-68.5-31.3177-141.5-156.4-131.300112.4M7 S13 S15M7-M11 PolarHBondContact O-N 3.42Å; M11-S13 VanDerWaalsContact C-N 3.34Å; M11-S15 PolarHBondContact O-N 2.88Å
12K55.3Low48.5Very low164 Ų164104.4 Ų104.471%0.71360%0.599SS**Hα-helixtrans-71-24.5174.5-93.8177.3176.6174.90114.1D8 Y9 A10 S15D8-K12 PolarHBondContact O-N 3.1Å; Y9-K12 PolarHBondContact O-N 3.04Å; A10-K12 VanDerWaalsContact C-N 3.32Å; A10-K12 PolarHBondContact O-N 3.36Å; K12-S15 PolarHBondContact O-OG 3.03Å
13S50.8Low48.4Very low64 Ų64103.9 Ų103.945%0.44860%0.595SS.*Hα-helixtrans-83.7-29.5178.613.90000112.1Y9 A10 M11Y9-S13 PolarHBondContact O-OG 3.23Å; A10-S13 WeakPolarHBondContact CA-OG 3.2Å; A10-S13 PolarHBondContact O-N 3.03Å; A10-S13 PolarHBondContact O-OG 3.28Å; A10-S13 VanDerWaalsContact O-OG 3.09Å; M11-S13 VanDerWaalsContact C-N 3.34Å
14L48.9Very low48.5Very low118 Ų118108 Ų10862%0.61860%0.596SS**Hα-helixtrans-76.8-23176.2-73.4168.3000113.9A10 L16 L17A10-L14 PolarHBondContact O-N 3.35Å; L14-L16 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 3.37Å; L14-L17 VanDerWaalsContact O-N 3.14Å
15S50.3Low48.5Very low59 Ų59109.2 Ų109.241%0.41360%0.6SS.*G310 helixtrans-68.5-17.8177.364.80000113.5M11 K12 L17 T18M11-S15 PolarHBondContact O-N 2.88Å; K12-S15 PolarHBondContact O-OG 3.03Å; S15-L17 VanDerWaalsContact C-N 3.26Å; S15-L17 PolarHBondContact O-N 3.08Å; S15-T18 PolarHBondContact O-OG1 3.32Å
16L48.1Very low48.3Very low129 Ų129111.5 Ų111.568%0.67561%0.606SS**G310 helixtrans-73.4-14.5172.6-65.4177.2000113.7L14L14-L16 PolarHBondContact O-N 3.43Å
17L44.2Very low48.1Very low136 Ų136109.8 Ų109.871%0.71261%0.607SS**G310 helixtrans-101.48.5179.2-65170.4000112.9L14 S15L14-L17 PolarHBondContact O-N 3.37Å; L14-L17 VanDerWaalsContact O-N 3.14Å; S15-L17 VanDerWaalsContact C-N 3.26Å; S15-L17 PolarHBondContact O-N 3.08Å
18T45.6Very low47.9Very low57 Ų57108.7 Ų108.735%0.3561%0.612SS.*  trans-78135.6177.354.60000111.2S15 S20 S21S15-T18 PolarHBondContact O-OG1 3.32Å; T18-S20 PolarHBondContact O-N 3.31Å; T18-S21 PolarHBondContact O-N 2.81Å; T18-S21 PolarHBondContact O-OG 3Å
19P47.1Very low47.7Very low118 Ų118109.7 Ų109.777%0.76663%0.626SS**THydrogen-bonded Turntrans-67.6-8.5-172.424.2-32.2000114.4
20S46.1Very low47.1Very low97 Ų97107.5 Ų107.568%0.67863%0.631SS**THydrogen-bonded Turntrans-85.8-13178.652.60000114.6T18T18-S20 PolarHBondContact O-N 3.31Å
21S43.8Very low47Very low53 Ų53111.6 Ų111.637%0.37166%0.657SS.*THydrogen-bonded Turntrans-98.7-17.5176.864.30000113.7T18 S23T18-S21 PolarHBondContact O-N 2.81Å; T18-S21 PolarHBondContact O-OG 3Å; S21-S23 VanDerWaalsContact C-N 3.28Å; S21-S23 PolarHBondContact O-N 2.74Å
22L47.3Very low46.5Very low109 Ų109109.2 Ų109.257%0.57166%0.659SS**G310 helixtrans-78.1-6.2177.6-70.1173.2000114.2K24L22-K24 PolarHBondContact O-N 2.96Å
23S44.7Very low46Very low95 Ų95106.7 Ų106.766%0.66466%0.662SS**G310 helixtrans-76.1-2.6175.671.10000114S21S21-S23 VanDerWaalsContact C-N 3.28Å; S21-S23 PolarHBondContact O-N 2.74Å
24K45.9Very low45.5Very low176 Ų176109 Ų10977%0.76568%0.684SS**G310 helixtrans-117.54.4-177.8-76.2-179176.8174.20115.1L22L22-K24 PolarHBondContact O-N 2.96Å
25V47.7Very low45.5Very low109 Ų109108.3 Ų108.366%0.66169%0.69SS**SBendtrans-11118.4-176.8-173.50000113.2
26V43.4Very low45.3Very low122 Ų122113.3 Ų113.374%0.73971%0.709SS**SBendtrans-121.524.3173.5-1620000112.5
27T43.6Very low45.1Very low118 Ų118113.8 Ų113.872%0.72472%0.717SS**SBendtrans-110.711.9178.711.90000115
28S42.4Very low45.1Very low109 Ų109113 Ų11376%0.76272%0.722SS**SBendtrans-120.353.8176.665.60000112.8
29S45.2Very low45.2Very low106 Ų106118.2 Ų118.274%0.74174%0.743SS**SBendtrans-163.543.4165.147.40000113
30V42.2Very low45Very low136 Ų136120.3 Ų120.382%0.82475%0.747SS**  trans-130.764.8162.1-73.40000109.8
31S49.8Very low44.9Very low132 Ų132123.8 Ų123.892%0.92376%0.757SS**  trans-100.483.3149.6-1650000106.7
32A43.3Very low44.8Very low86 Ų86124.7 Ų124.771%0.71176%0.763SS**SBendtrans-151.4102.7165.900000108.5
33S44.6Very low44.6Very low111 Ų111122.4 Ų122.478%0.77677%0.766SS**  trans74.958.4150.9-49.50000118S35S33-S35 PolarHBondContact O-N 3.34Å
34A42.1Very low44.7Very low112 Ų112130 Ų13093%0.92678%0.78SS**  trans-84.567.4147.200000109.5
35S48.4Very low44.9Very low104 Ų104126 Ų12673%0.72777%0.771SS**  trans-16062.9167-152.10000111.5S33S33-S35 PolarHBondContact O-N 3.34Å
36M45.4Very low45.5Very low165 Ų165124.8 Ų124.881%0.81376%0.76SS**SBendtrans-142.457.7168.7-66.3-149.693.700111.6
37T45.1Very low47Very low138 Ų138127.2 Ų127.285%0.84776%0.756SS**SBendtrans-149.4-2165.535.10000116
38S43.2Very low48.8Very low119 Ų119124.8 Ų124.883%0.83274%0.742SS**SBendtrans-97.816.1177.7-102.10000115.6
39Q47.4Very low50.9Low168 Ų168121.9 Ų121.979%0.78572%0.716SS**SBendtrans-101.2-0.2-179.8-65-165.721.400114.8
40L43.1Very low53.1Low162 Ų162118.5 Ų118.585%0.84869%0.691SS**THydrogen-bonded Turntrans-87.8-1.1-178.6-65.7179.1000114.5
41L44.8Very low55.3Low170 Ų170112 Ų11289%0.8965%0.652SS**THydrogen-bonded Turntrans-137.431-176.1-66.4175.4000114.6
42S41.1Very low57.3Low71 Ų71111.5 Ų111.550%0.49763%0.63SS.*  trans-106.7106.1162.2-84.80000108.5
43G42Very low59.5Low61 Ų61107.4 Ų107.463%0.62960%0.596SS**  trans-46.4146.1163.900000110T45G43-T45 WeakPolarHBondContact O-CG2 3.49Å; G43-T45 PolarHBondContact O-N 3.35Å; G43-T45 PolarHBondContact O-OG1 3Å
44R47.5Very low61.7Low255 Ų255102.5 Ų102.596%0.96256%0.561SS**SBendtrans-34.978.4-178.9-160.1-179.5-170.4-155.93113
45T49.4Very low63.8Low92 Ų9299 Ų9956%0.56453%0.527SS*.  trans-106.9105.2172.242.80000103.8G43 R47G43-T45 WeakPolarHBondContact O-CG2 3.49Å; G43-T45 PolarHBondContact O-N 3.35Å; G43-T45 PolarHBondContact O-OG1 3Å; T45-R47 PolarHBondContact O-N 3.14Å
46L61.6Low65.5Low83 Ų8394.9 Ų94.944%0.43550%0.497SS..  trans-61.4105.2174.3-80.4156.4000106.2E67L46-E67 HydrophobicContact CB-CG 3.59Å; L46-E67 WeakPolarHBondContact CB-OE1 3.11Å; L46-E67 VanDerWaalsContact O-CD 3.29Å
47R74.1Confident67.1Low173 Ų17393.2 Ų93.265%0.65349%0.492SS*.PPolyproline II helixtrans-81.9139175.7-68.2-171.2178-171.6-0.4108T45 K49T45-R47 PolarHBondContact O-N 3.14Å; R47-K49 PolarHBondContact O-N 2.59Å
48P82.3Confident68.8Low67 Ų6789.3 Ų89.344%0.43546%0.461SS..PPolyproline II helixtrans-54.3124.4173.6-25.533.7000110.3M65P48-M65 HydrophobicContact CB-CB 4.38Å; P48-M65 HydrophobicContact CB-CE 4.15Å; P48-M65 WeakPolarHBondContact O-CE 3.32Å
49K86.5Confident70.5Confident48 Ų4887.7 Ų87.721%0.20945%0.45CS..EExtended strand (participates in β ladder)trans-93.8142178.7-70173.1-179.9168.40109.5R47 F51 M65 A66 Q104R47-K49 PolarHBondContact O-N 2.59Å; K49-F51 HydrophobicContact CB-CD2 4.4Å; K49-F51 HydrophobicContact CB-CE2 3.51Å; K49-F51 HydrophobicContact CB-CZ 3.62Å; K49-F51 HydrophobicContact CD-CZ 4.12Å; K49-F51 VanDerWaalsContact O-CD2 3.22Å; K49-F51 WeakPolarHBondContact O-CD2 3.35Å; K49-F51 WeakPolarHBondContact O-CE2 3.49Å; K49-M65 WeakPolarHBondContact O-CA 3.44Å; K49-A66 PolarHBondContact N-O 2.87Å; K49-A66 PolarHBondContact O-N 2.76Å; K49-Q104 PolarHBondContact NZ-O 3.03Å
50P90.2Very high72.1Confident35 Ų3582.5 Ų82.523%0.22743%0.43CS..EExtended strand (participates in β ladder)trans-76128.6173.128.4-31.2000110.9M65 E108 N109P50-M65 WeakPolarHBondContact CA-SD 3.31Å; P50-M65 HydrophobicContact CB-CE 4.42Å; P50-M65 HydrophobicContact CB-SD 3.54Å; P50-M65 VanDerWaalsContact CB-SD 3.54Å; P50-M65 HydrophobicContact CG-SD 4.41Å; P50-E108 HydrophobicContact CG-CB 4.43Å; P50-N109 WeakPolarHBondContact O-CA 3.47Å; P50-N109 PolarHBondContact O-N 3.02Å
51F89.5Confident74.3Confident1 Ų179.9 Ų79.90%0.00441%0.412CS..EExtended strand (participates in β ladder)trans-122.5150.2172.8-61.7-79.2000110.8K49 G63 I64 A66 L72 F103 L112K49-F51 HydrophobicContact CB-CD2 4.4Å; K49-F51 HydrophobicContact CB-CE2 3.51Å; K49-F51 HydrophobicContact CB-CZ 3.62Å; K49-F51 HydrophobicContact CD-CZ 4.12Å; K49-F51 VanDerWaalsContact O-CD2 3.22Å; K49-F51 WeakPolarHBondContact O-CD2 3.35Å; K49-F51 WeakPolarHBondContact O-CE2 3.49Å; F51-G63 CarbonylContact O-C 3.36Å; F51-G63 WeakPolarHBondContact O-CA 3.3Å; F51-I64 PolarHBondContact N-O 2.79Å; F51-I64 PolarHBondContact O-N 3.26Å; F51-A66 HydrophobicContact CD2-CB 4.16Å; F51-A66 HydrophobicContact CE2-CB 4.32Å; F51-L72 HydrophobicContact CB-CD1 4.4Å; F51-F103 HydrophobicContact CD1-CE2 4.2Å; F51-F103 HydrophobicContact CD2-CE2 4.03Å; F51-F103 AromaticContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CE1-CD2 4.44Å; F51-F103 AromaticContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CZ 4.16Å; F51-F103 HydrophobicContact CE2-CE1 4.17Å; F51-F103 AromaticContact CE2-CE2 3.52Å; F51-F103 HydrophobicContact CE2-CE2 3.52Å; F51-F103 AromaticContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CG-CE2 4.34Å; F51-F103 HydrophobicContact CZ-CD2 4.25Å; F51-F103 HydrophobicContact CZ-CE1 4.14Å; F51-F103 AromaticContact CZ-CE2 3.32Å; F51-F103 HydrophobicContact CZ-CE2 3.32Å; F51-F103 AromaticContact CZ-CZ 3.3Å; F51-F103 HydrophobicContact CZ-CZ 3.3Å; F51-L112 HydrophobicContact CB-CD1 4.29Å; F51-L112 HydrophobicContact CD1-CD1 4.06Å; F51-L112 HydrophobicContact CG-CD1 4.34Å
52R91.8Very high76.4Confident121 Ų12175.6 Ų75.646%0.45739%0.386SS..EExtended strand (participates in β ladder)trans-108.9111.3176.4-72.7172.3169.9-167.8-3.1108.1K62 T110 V111 L112R52-K62 CarbonylContact C-O 3.53Å; R52-K62 WeakPolarHBondContact CA-O 3.38Å; R52-T110 PolarHBondContact N-O 2.79Å; R52-V111 HydrophobicContact CB-CG2 4.24Å; R52-V111 CarbonylContact O-C 3.49Å; R52-V111 VanDerWaalsContact O-CA 3.26Å; R52-V111 WeakPolarHBondContact O-CA 3.41Å; R52-L112 PolarHBondContact O-N 3.32Å
53V90.3Very high78.8Confident0 Ų075.5 Ų75.50%040%0.396CS..EExtended strand (participates in β ladder)trans-104.2136.1-179.5-172.10000110.2K61 K62 I64 L72 V76 F80 L112 V114V53-K61 CarbonylContact O-C 3.53Å; V53-K61 WeakPolarHBondContact O-CA 2.82Å; V53-K62 PolarHBondContact N-O 2.94Å; V53-K62 PolarHBondContact O-N 3.2Å; V53-I64 HydrophobicContact CB-CD1 4.18Å; V53-I64 HydrophobicContact CG2-CD1 3.88Å; V53-I64 HydrophobicContact CG2-CG1 4.44Å; V53-L72 HydrophobicContact CG2-CD1 4.11Å; V53-V76 HydrophobicContact CB-CG2 4.28Å; V53-V76 HydrophobicContact CG1-CG1 4.21Å; V53-V76 HydrophobicContact CG1-CG2 3.97Å; V53-V76 HydrophobicContact CG2-CG2 3.85Å; V53-F80 HydrophobicContact CB-CE2 3.97Å; V53-F80 HydrophobicContact CB-CZ 4.28Å; V53-F80 HydrophobicContact CG1-CE2 3.77Å; V53-F80 HydrophobicContact CG1-CZ 4.07Å; V53-L112 CarbonylContact C-O 3.54Å; V53-L112 VanDerWaalsContact CA-O 3.22Å; V53-L112 WeakPolarHBondContact CA-O 3.31Å; V53-L112 HydrophobicContact CG2-CB 4.37Å; V53-V114 HydrophobicContact CG1-CB 4.21Å
54T89.2Confident81Confident7 Ų773.1 Ų73.14%0.04337%0.369CS..EExtended strand (participates in β ladder)trans-122.7151.2177.853.30000112V60 K61 V111 L112 M113 V114T54-V60 VanDerWaalsContact CA-O 3.29Å; T54-V60 WeakPolarHBondContact CA-O 3.35Å; T54-K61 HydrophobicContact CG2-CB 3.85Å; T54-K61 HydrophobicContact CG2-CD 3.9Å; T54-K61 HydrophobicContact CG2-CG 3.64Å; T54-V111 HydrophobicContact CG2-CG1 4.21Å; T54-L112 PolarHBondContact N-O 3.39Å; T54-L112 PolarHBondContact OG1-O 3.01Å; T54-M113 WeakPolarHBondContact O-CA 3.32Å; T54-V114 PolarHBondContact O-N 3.13Å
55N87.1Confident83.1Confident39 Ų3965.6 Ų65.621%0.20935%0.346CS..  trans-72165.1167.4-161.5-9.9000110.8D57 R58 V60 F80N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact O-N 2.7Å; N55-R58 WeakPolarHBondContact O-CA 3.39Å; N55-R58 PolarHBondContact O-N 3.18Å; N55-V60 PolarHBondContact N-O 3.45Å; N55-V60 VanDerWaalsContact N-O 3.14Å; N55-F80 HydrophobicContact CB-CD1 4.47Å; N55-F80 HydrophobicContact CB-CE1 4.16Å
56V83.9Confident85Confident18 Ų1861.3 Ų61.311%0.10932%0.319CS..THydrogen-bonded Turntrans-54.2-43.7176.7178.30000112.3R58 V114 L115 Q119V56-R58 PolarHBondContact O-N 3.36Å; V56-R58 VanDerWaalsContact O-N 3.15Å; V56-V114 VanDerWaalsContact CG2-O 3.32Å; V56-V114 WeakPolarHBondContact CG2-O 3.37Å; V56-L115 HydrophobicContact CG2-CD2 3.56Å; V56-Q119 HydrophobicContact CG2-CB 4.21Å
57D79.4Confident86.3Confident129 Ų12961 Ų6169%0.6932%0.316SS*.THydrogen-bonded Turntrans-74.5-1.2177.2-60.9-34.9000113.1N55 S59N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact O-N 2.7Å; D57-S59 PolarHBondContact O-N 2.84Å
58R79.4Confident87Confident56 Ų5654.9 Ų54.921%0.21130%0.298CS..SBendtrans52.916.2-174.4-58.9175.5175.294.7-4.8113.9N55 V56 D91 M113 S122N55-R58 WeakPolarHBondContact O-CA 3.39Å; N55-R58 PolarHBondContact O-N 3.18Å; V56-R58 PolarHBondContact O-N 3.36Å; V56-R58 VanDerWaalsContact O-N 3.15Å; R58-D91 IonicContact CZ-OD1 2.78Å; R58-D91 VanDerWaalsContact CZ-OD1 3.29Å; R58-D91 IonicContact NE-OD1 2.71Å; R58-D91 PolarHBondContact NE-OD1 2.64Å; R58-D91 IonicContact NH2-OD1 3.44Å; R58-D91 PolarHBondContact NH2-OD1 2.81Å; R58-M113 HydrophobicContact CG-CE 3.77Å; R58-M113 VanDerWaalsContact CZ-CE 3.44Å; R58-S122 PolarHBondContact NH1-O 3.42Å; R58-S122 PolarHBondContact NH2-O 3.35Å
59S80Confident87.3Confident86 Ų8652.6 Ų52.660%0.60128%0.282SS*.  trans-72-32.6-177.756.70000112.7D57D57-S59 PolarHBondContact O-N 2.84Å
60V81.3Confident87.4Confident59 Ų5956 Ų5636%0.35830%0.301SS..  trans-122.5128.9-178.6-1790000109.4T54 N55 K62 F80T54-V60 VanDerWaalsContact CA-O 3.29Å; T54-V60 WeakPolarHBondContact CA-O 3.35Å; N55-V60 PolarHBondContact N-O 3.45Å; N55-V60 VanDerWaalsContact N-O 3.14Å; V60-K62 HydrophobicContact CG1-CD 4.38Å; V60-K62 HydrophobicContact CG1-CG 4.06Å; V60-F80 HydrophobicContact CB-CE1 4.3Å; V60-F80 HydrophobicContact CG1-CE1 4.05Å
61K89.3Confident87.4Confident107 Ų10756.4 Ų56.447%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-124.6124.5176.3-172.5165.7-170.5166.50110.1V53 T54V53-K61 CarbonylContact O-C 3.53Å; V53-K61 WeakPolarHBondContact O-CA 2.82Å; T54-K61 HydrophobicContact CG2-CB 3.85Å; T54-K61 HydrophobicContact CG2-CD 3.9Å; T54-K61 HydrophobicContact CG2-CG 3.64Å
62K88.1Confident87.5Confident79 Ų7956.4 Ų56.434%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-124140.2-178.6-60.7-168.8178.8-167.20110.4R52 V53 V60 S79 F80R52-K62 CarbonylContact C-O 3.53Å; R52-K62 WeakPolarHBondContact CA-O 3.38Å; V53-K62 PolarHBondContact N-O 2.94Å; V53-K62 PolarHBondContact O-N 3.2Å; V60-K62 HydrophobicContact CG1-CD 4.38Å; V60-K62 HydrophobicContact CG1-CG 4.06Å; K62-S79 PolarHBondContact NZ-O 3.2Å; K62-F80 HydrophobicContact CB-CE2 4.07Å; K62-F80 HydrophobicContact CB-CZ 4.08Å; K62-F80 HydrophobicContact CD-CD2 4.37Å; K62-F80 HydrophobicContact CD-CE2 4.04Å; K62-F80 HydrophobicContact CD-CZ 4.12Å; K62-F80 HydrophobicContact CG-CE2 4.18Å; K62-F80 HydrophobicContact CG-CZ 3.94Å
63G90.9Very high87.3Confident69 Ų6952.8 Ų52.871%0.71129%0.293SS*.EExtended strand (participates in β ladder)trans-90.3125.3171.300000109.5F51F51-G63 CarbonylContact O-C 3.36Å; F51-G63 WeakPolarHBondContact O-CA 3.3Å
64I90Very high87.3Confident11 Ų1157 Ų576%0.05632%0.316CS..EExtended strand (participates in β ladder)trans-126.1126.4-178.6-58.6176.8000108.6F51 V53 L72 K75 V76 S79F51-I64 PolarHBondContact N-O 2.79Å; F51-I64 PolarHBondContact O-N 3.26Å; V53-I64 HydrophobicContact CB-CD1 4.18Å; V53-I64 HydrophobicContact CG2-CD1 3.88Å; V53-I64 HydrophobicContact CG2-CG1 4.44Å; I64-L72 HydrophobicContact CB-CD1 3.98Å; I64-L72 HydrophobicContact CD1-CD1 4.45Å; I64-L72 HydrophobicContact CG2-CD1 3.71Å; I64-K75 HydrophobicContact CG2-CB 3.57Å; I64-K75 HydrophobicContact CG2-CD 3.77Å; I64-K75 HydrophobicContact CG2-CG 4.3Å; I64-V76 HydrophobicContact CD1-CB 4.24Å; I64-V76 HydrophobicContact CD1-CG2 3.37Å; I64-S79 WeakPolarHBondContact CD1-OG 3.35Å
65M91.1Very high87.4Confident98 Ų9860.1 Ų60.148%0.48333%0.329SS..EExtended strand (participates in β ladder)trans-86.5119171.6-63.7-62.2-63.200108.2P48 K49 P50 K75P48-M65 HydrophobicContact CB-CB 4.38Å; P48-M65 HydrophobicContact CB-CE 4.15Å; P48-M65 WeakPolarHBondContact O-CE 3.32Å; K49-M65 WeakPolarHBondContact O-CA 3.44Å; P50-M65 WeakPolarHBondContact CA-SD 3.31Å; P50-M65 HydrophobicContact CB-CE 4.42Å; P50-M65 HydrophobicContact CB-SD 3.54Å; P50-M65 VanDerWaalsContact CB-SD 3.54Å; P50-M65 HydrophobicContact CG-SD 4.41Å; M65-K75 WeakPolarHBondContact O-CD 3.39Å; M65-K75 PolarHBondContact O-NZ 3.15Å
66A88.8Confident87.5Confident1 Ų158.3 Ų58.31%0.00832%0.319CS..EExtended strand (participates in β ladder)trans-137.514417900000111.9K49 F51 D71 L72 F103K49-A66 PolarHBondContact N-O 2.87Å; K49-A66 PolarHBondContact O-N 2.76Å; F51-A66 HydrophobicContact CD2-CB 4.16Å; F51-A66 HydrophobicContact CE2-CB 4.32Å; A66-D71 WeakPolarHBondContact CA-OD2 3.48Å; A66-L72 HydrophobicContact CB-CB 3.58Å; A66-L72 HydrophobicContact CB-CD1 3.92Å; A66-L72 HydrophobicContact CB-CG 4.3Å; A66-F103 HydrophobicContact CB-CZ 4.29Å
67E88.4Confident87.6Confident76 Ų7659 Ų5936%0.35533%0.325SS..SBendtrans-95.2-38.2175.3-169.9-177.2152.600111.8L46 D71 Q104L46-E67 HydrophobicContact CB-CG 3.59Å; L46-E67 WeakPolarHBondContact CB-OE1 3.11Å; L46-E67 VanDerWaalsContact O-CD 3.29Å; E67-D71 PolarHBondContact N-OD2 2.91Å; E67-Q104 PolarHBondContact O-NE2 3.39Å
68T88.8Confident88Confident45 Ų4558.9 Ų58.928%0.27632%0.324SS..SBendtrans-126.2160.3-179.3630000111L70 D71 L72 E100 F103T68-L70 PolarHBondContact O-N 2.76Å; T68-D71 PolarHBondContact O-N 3.19Å; T68-D71 VanDerWaalsContact OG1-CB 3.31Å; T68-D71 WeakPolarHBondContact OG1-CB 3.28Å; T68-D71 PolarHBondContact OG1-N 3.5Å; T68-L72 PolarHBondContact O-N 3.32Å; T68-E100 WeakPolarHBondContact CA-OE1 3.29Å; T68-F103 VanDerWaalsContact C-CE1 3.42Å
69L88.9Confident88.2Confident19 Ų1957.8 Ų57.810%0.09933%0.325CS..Hα-helixtrans-61.3-36.4176.2-178.660.3000111.5L72 T73 L88 V97 E100 F103L69-L72 PolarHBondContact O-N 3.11Å; L69-T73 WeakPolarHBondContact O-CB 3.33Å; L69-T73 PolarHBondContact O-N 3.37Å; L69-T73 PolarHBondContact O-OG1 2.77Å; L69-L88 HydrophobicContact CD1-CD2 3.77Å; L69-V97 HydrophobicContact CD1-CG1 3.75Å; L69-V97 HydrophobicContact CD2-CG1 4.37Å; L69-E100 WeakPolarHBondContact CB-OE2 3.16Å; L69-E100 PolarHBondContact N-OE2 2.72Å; L69-F103 HydrophobicContact CB-CB 4.21Å; L69-F103 HydrophobicContact CB-CD1 4.2Å; L69-F103 HydrophobicContact CB-CG 4.1Å; L69-F103 HydrophobicContact CD1-CB 4.45Å; L69-F103 HydrophobicContact CD1-CD2 4.2Å; L69-F103 HydrophobicContact CD1-CG 4.35Å
70L89.2Confident88.3Confident119 Ų11954.8 Ų54.862%0.62330%0.301SS*.Hα-helixtrans-65.5-45.2175.9-172.1153.4000111.3T68 L72 T73 N74T68-L70 PolarHBondContact O-N 2.76Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.74Å; L70-T73 PolarHBondContact O-N 3.01Å; L70-N74 VanDerWaalsContact CD2-ND2 3.32Å; L70-N74 WeakPolarHBondContact CD2-ND2 3.47Å; L70-N74 PolarHBondContact O-N 3.08Å
71D90.7Very high88.2Confident45 Ų4557 Ų5724%0.24132%0.32CS..Hα-helixtrans-61.7-41.5175.2177.444.3000111.5A66 E67 T68 K75A66-D71 WeakPolarHBondContact CA-OD2 3.48Å; E67-D71 PolarHBondContact N-OD2 2.91Å; T68-D71 PolarHBondContact O-N 3.19Å; T68-D71 VanDerWaalsContact OG1-CB 3.31Å; T68-D71 WeakPolarHBondContact OG1-CB 3.28Å; T68-D71 PolarHBondContact OG1-N 3.5Å; D71-K75 WeakPolarHBondContact O-CB 3.07Å; D71-K75 WeakPolarHBondContact O-CG 3.41Å; D71-K75 PolarHBondContact O-N 3.25Å; D71-K75 WeakPolarHBondContact OD1-CE 3.43Å; D71-K75 IonicContact OD1-NZ 3.16Å; D71-K75 PolarHBondContact OD1-NZ 3.24Å; D71-K75 IonicContact OD2-NZ 2.86Å; D71-K75 PolarHBondContact OD2-NZ 2.79Å
72L90.4Very high87.6Confident0 Ų053.3 Ų53.30%030%0.304CS..Hα-helixtrans-60.1-48.3173.5-177.961.9000111.2F51 V53 I64 A66 T68 L69 L70 N74 K75 V76 L88 F103 L112F51-L72 HydrophobicContact CB-CD1 4.4Å; V53-L72 HydrophobicContact CG2-CD1 4.11Å; I64-L72 HydrophobicContact CB-CD1 3.98Å; I64-L72 HydrophobicContact CD1-CD1 4.45Å; I64-L72 HydrophobicContact CG2-CD1 3.71Å; A66-L72 HydrophobicContact CB-CB 3.58Å; A66-L72 HydrophobicContact CB-CD1 3.92Å; A66-L72 HydrophobicContact CB-CG 4.3Å; T68-L72 PolarHBondContact O-N 3.32Å; L69-L72 PolarHBondContact O-N 3.11Å; L70-L72 VanDerWaalsContact C-N 3.33Å; L70-L72 PolarHBondContact O-N 2.74Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-N74 PolarHBondContact O-N 3.31Å; L72-K75 PolarHBondContact O-N 2.92Å; L72-V76 HydrophobicContact CD1-CG2 3.92Å; L72-V76 HydrophobicContact CG-CG2 4.1Å; L72-V76 VanDerWaalsContact O-CB 3.31Å; L72-V76 WeakPolarHBondContact O-CB 3.21Å; L72-V76 WeakPolarHBondContact O-CG2 3.26Å; L72-V76 PolarHBondContact O-N 2.85Å; L72-L88 HydrophobicContact CD2-CD2 3.61Å; L72-L88 HydrophobicContact CG-CD2 4.36Å; L72-F103 HydrophobicContact CB-CZ 4.37Å; L72-F103 HydrophobicContact CD2-CD2 4.29Å; L72-F103 HydrophobicContact CD2-CE2 3.52Å; L72-F103 HydrophobicContact CD2-CZ 4.14Å; L72-L112 HydrophobicContact CD2-CD1 3.57Å
73T89.1Confident86.6Confident45 Ų4558.7 Ų58.728%0.27633%0.331SS..Hα-helixtrans-62.4-42.1-176.6-55.30000111.4L69 L70 V76 S77 V85L69-T73 WeakPolarHBondContact O-CB 3.33Å; L69-T73 PolarHBondContact O-N 3.37Å; L69-T73 PolarHBondContact O-OG1 2.77Å; L70-T73 PolarHBondContact O-N 3.01Å; T73-V76 PolarHBondContact O-N 2.78Å; T73-S77 PolarHBondContact O-N 3.3Å; T73-V85 HydrophobicContact CG2-CB 4.07Å; T73-V85 HydrophobicContact CG2-CG1 4.19Å; T73-V85 HydrophobicContact CG2-CG2 4.38Å
74N89.2Confident85.7Confident88 Ų8859 Ų5947%0.47132%0.321SS..Hα-helixtrans-63.1-49.9175.7-69.6-17.8000111.5L70 L72 V76 S77 D78L70-N74 VanDerWaalsContact CD2-ND2 3.32Å; L70-N74 WeakPolarHBondContact CD2-ND2 3.47Å; L70-N74 PolarHBondContact O-N 3.08Å; L72-N74 VanDerWaalsContact C-N 3.35Å; L72-N74 PolarHBondContact O-N 3.31Å; N74-V76 VanDerWaalsContact C-N 3.27Å; N74-V76 PolarHBondContact O-N 2.68Å; N74-S77 WeakPolarHBondContact O-CB 3.41Å; N74-S77 PolarHBondContact O-N 3.36Å; N74-S77 VanDerWaalsContact O-N 3.13Å; N74-D78 PolarHBondContact O-N 3.5Å
75K90.8Very high85.1Confident74 Ų7459.9 Ų59.932%0.32233%0.327SS..Hα-helixtrans-63.4-33178-74170.8175.9159.80112.7I64 M65 D71 L72 S79I64-K75 HydrophobicContact CG2-CB 3.57Å; I64-K75 HydrophobicContact CG2-CD 3.77Å; I64-K75 HydrophobicContact CG2-CG 4.3Å; M65-K75 WeakPolarHBondContact O-CD 3.39Å; M65-K75 PolarHBondContact O-NZ 3.15Å; D71-K75 WeakPolarHBondContact O-CB 3.07Å; D71-K75 WeakPolarHBondContact O-CG 3.41Å; D71-K75 PolarHBondContact O-N 3.25Å; D71-K75 WeakPolarHBondContact OD1-CE 3.43Å; D71-K75 IonicContact OD1-NZ 3.16Å; D71-K75 PolarHBondContact OD1-NZ 3.24Å; D71-K75 IonicContact OD2-NZ 2.86Å; D71-K75 PolarHBondContact OD2-NZ 2.79Å; L72-K75 PolarHBondContact O-N 2.92Å; K75-S79 WeakPolarHBondContact O-CB 3.32Å; K75-S79 PolarHBondContact O-N 2.98Å; K75-S79 PolarHBondContact O-OG 2.77Å
76V89.4Confident84.5Confident1 Ų158.2 Ų58.21%0.00633%0.325CS..Hα-helixtrans-67.6-46173.8170.70000110.1V53 I64 L72 T73 N74 D78 S79 F80 V85 V114V53-V76 HydrophobicContact CB-CG2 4.28Å; V53-V76 HydrophobicContact CG1-CG1 4.21Å; V53-V76 HydrophobicContact CG1-CG2 3.97Å; V53-V76 HydrophobicContact CG2-CG2 3.85Å; I64-V76 HydrophobicContact CD1-CB 4.24Å; I64-V76 HydrophobicContact CD1-CG2 3.37Å; L72-V76 HydrophobicContact CD1-CG2 3.92Å; L72-V76 HydrophobicContact CG-CG2 4.1Å; L72-V76 VanDerWaalsContact O-CB 3.31Å; L72-V76 WeakPolarHBondContact O-CB 3.21Å; L72-V76 WeakPolarHBondContact O-CG2 3.26Å; L72-V76 PolarHBondContact O-N 2.85Å; T73-V76 PolarHBondContact O-N 2.78Å; N74-V76 VanDerWaalsContact C-N 3.27Å; N74-V76 PolarHBondContact O-N 2.68Å; V76-D78 VanDerWaalsContact C-N 3.33Å; V76-D78 PolarHBondContact O-N 3.16Å; V76-S79 WeakPolarHBondContact CA-OG 3.36Å; V76-S79 PolarHBondContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 3.3Å; V76-F80 HydrophobicContact CG1-CD2 3.93Å; V76-F80 HydrophobicContact CG1-CE2 4.42Å; V76-F80 WeakPolarHBondContact O-CB 3.18Å; V76-F80 WeakPolarHBondContact O-CD2 3.44Å; V76-F80 PolarHBondContact O-N 3.31Å; V76-V85 HydrophobicContact CG1-CG2 4.2Å; V76-V114 HydrophobicContact CG1-CB 3.9Å; V76-V114 HydrophobicContact CG1-CG1 4.28Å; V76-V114 HydrophobicContact CG1-CG2 3.42Å; V76-V114 VanDerWaalsContact CG1-CG2 3.42Å
77S87Confident84.3Confident32 Ų3260 Ų6022%0.22434%0.34CS..Hα-helixtrans-56.8-47.5175.9-154.10000111.4T73 N74 S81 L82T73-S77 PolarHBondContact O-N 3.3Å; N74-S77 WeakPolarHBondContact O-CB 3.41Å; N74-S77 PolarHBondContact O-N 3.36Å; N74-S77 VanDerWaalsContact O-N 3.13Å; S77-S81 WeakPolarHBondContact O-CA 3.45Å; S77-S81 PolarHBondContact O-N 2.9Å; S77-L82 PolarHBondContact O-N 3.07Å; S77-L82 VanDerWaalsContact O-N 3.1Å; S77-L82 PolarHBondContact OG-O 3.43Å
78D86.3Confident84.3Confident127 Ų12757 Ų5768%0.67933%0.326SS*.Hα-helixtrans-66-46.8179.4-67.4-22.2000111.7N74 V76 S81N74-D78 PolarHBondContact O-N 3.5Å; V76-D78 VanDerWaalsContact C-N 3.33Å; V76-D78 PolarHBondContact O-N 3.16Å; D78-S81 PolarHBondContact O-N 3.23Å
79S85.1Confident84.4Confident32 Ų3255.2 Ų55.222%0.22432%0.316CS..Hα-helixtrans-71.7-36.2-175.363.90000112.6K62 I64 K75 V76K62-S79 PolarHBondContact NZ-O 3.2Å; I64-S79 WeakPolarHBondContact CD1-OG 3.35Å; K75-S79 WeakPolarHBondContact O-CB 3.32Å; K75-S79 PolarHBondContact O-N 2.98Å; K75-S79 PolarHBondContact O-OG 2.77Å; V76-S79 WeakPolarHBondContact CA-OG 3.36Å; V76-S79 PolarHBondContact O-N 3.1Å; V76-S79 PolarHBondContact O-OG 3.3Å
80F81.4Confident84.3Confident24 Ų2455.2 Ų55.211%0.10532%0.315CS..Hα-helixtrans-91.6-0.8177.7-72.4-96.4000113.1V53 N55 V60 K62 V76 L82V53-F80 HydrophobicContact CB-CE2 3.97Å; V53-F80 HydrophobicContact CB-CZ 4.28Å; V53-F80 HydrophobicContact CG1-CE2 3.77Å; V53-F80 HydrophobicContact CG1-CZ 4.07Å; N55-F80 HydrophobicContact CB-CD1 4.47Å; N55-F80 HydrophobicContact CB-CE1 4.16Å; V60-F80 HydrophobicContact CB-CE1 4.3Å; V60-F80 HydrophobicContact CG1-CE1 4.05Å; K62-F80 HydrophobicContact CB-CE2 4.07Å; K62-F80 HydrophobicContact CB-CZ 4.08Å; K62-F80 HydrophobicContact CD-CD2 4.37Å; K62-F80 HydrophobicContact CD-CE2 4.04Å; K62-F80 HydrophobicContact CD-CZ 4.12Å; K62-F80 HydrophobicContact CG-CE2 4.18Å; K62-F80 HydrophobicContact CG-CZ 3.94Å; V76-F80 HydrophobicContact CG1-CD2 3.93Å; V76-F80 HydrophobicContact CG1-CE2 4.42Å; V76-F80 WeakPolarHBondContact O-CB 3.18Å; V76-F80 WeakPolarHBondContact O-CD2 3.44Å; V76-F80 PolarHBondContact O-N 3.31Å; F80-L82 HydrophobicContact CB-CD1 3.67Å; F80-L82 HydrophobicContact CB-CD2 4.4Å; F80-L82 HydrophobicContact CB-CG 3.61Å; F80-L82 HydrophobicContact CG-CD1 4.48Å; F80-L82 PolarHBondContact O-N 2.71Å
81S79Confident84.1Confident106 Ų10650.1 Ų50.174%0.74129%0.289SS*.THydrogen-bonded Turntrans53.336.7-177.7-50.10000112.4S77 D78S77-S81 WeakPolarHBondContact O-CA 3.45Å; S77-S81 PolarHBondContact O-N 2.9Å; D78-S81 PolarHBondContact O-N 3.23Å
82L76.8Confident83.6Confident28 Ų2850.9 Ų50.915%0.14729%0.291CS..  trans-85.6137.7-177.9-62.4172.4000109.5S77 F80 C84 V85 V114S77-L82 PolarHBondContact O-N 3.07Å; S77-L82 VanDerWaalsContact O-N 3.1Å; S77-L82 PolarHBondContact OG-O 3.43Å; F80-L82 HydrophobicContact CB-CD1 3.67Å; F80-L82 HydrophobicContact CB-CD2 4.4Å; F80-L82 HydrophobicContact CB-CG 3.61Å; F80-L82 HydrophobicContact CG-CD1 4.48Å; F80-L82 PolarHBondContact O-N 2.71Å; L82-C84 VanDerWaalsContact C-N 3.33Å; L82-V85 HydrophobicContact CD1-CG2 4.32Å; L82-V114 HydrophobicContact CD1-CG1 3.58Å; L82-V114 HydrophobicContact CD1-CG2 4.24Å
83Q67.9Low82.8Confident192 Ų19254.5 Ų54.590%0.89731%0.31SS*.SBendtrans-72.9-28.5176.3-71.3179.8800112.1
84C70.8Confident82.4Confident76 Ų7653.3 Ų53.351%0.51431%0.307SS..  trans-158.8123.9176.5-172.30000111.2L82L82-C84 VanDerWaalsContact C-N 3.33Å
85V77.4Confident82.3Confident29 Ų2951.7 Ų51.718%0.17630%0.301CS..  trans-80.5116.1168.9175.60000108.2T73 V76 L82 V114T73-V85 HydrophobicContact CG2-CB 4.07Å; T73-V85 HydrophobicContact CG2-CG1 4.19Å; T73-V85 HydrophobicContact CG2-CG2 4.38Å; V76-V85 HydrophobicContact CG1-CG2 4.2Å; L82-V85 HydrophobicContact CD1-CG2 4.32Å; V85-V114 HydrophobicContact CB-CG2 4.25Å; V85-V114 HydrophobicContact CG1-CG2 3.47Å; V85-V114 VanDerWaalsContact CG1-CG2 3.47Å; V85-V114 HydrophobicContact CG2-CG2 3.88Å
86S79.4Confident82.1Confident63 Ų6349.8 Ų49.844%0.44130%0.302SS..  trans-87-40.6-178.3-67.70000112.6L115 K117S86-L115 PolarHBondContact N-O 2.95Å; S86-K117 WeakPolarHBondContact OG-CA 3.33Å; S86-K117 PolarHBondContact OG-N 2.74Å
87A84.1Confident82.1Confident40 Ų4050.1 Ų50.133%0.33130%0.304SS..EExtended strand (participates in β ladder)trans-153.4148.6174.800000110.8L115A87-L115 HydrophobicContact CB-CB 4.3Å; A87-L115 HydrophobicContact CB-CD1 4.22Å; A87-L115 PolarHBondContact N-O 2.83Å; A87-L115 WeakPolarHBondContact O-CB 3.31Å; A87-L115 PolarHBondContact O-N 2.91Å
88L88.8Confident82.1Confident11 Ų1156.6 Ų56.66%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-110.8121.5170.6-17169.4000107.6L69 L72 V97 L112 V114L69-L88 HydrophobicContact CD1-CD2 3.77Å; L72-L88 HydrophobicContact CD2-CD2 3.61Å; L72-L88 HydrophobicContact CG-CD2 4.36Å; L88-V97 HydrophobicContact CD2-CB 4.4Å; L88-V97 PolarHBondContact O-N 3.43Å; L88-L112 HydrophobicContact CD1-CB 3.99Å; L88-L112 HydrophobicContact CD2-CD1 4.1Å; L88-L112 HydrophobicContact CG-CB 4.32Å; L88-L112 HydrophobicContact CG-CD2 4.47Å; L88-V114 HydrophobicContact CD1-CB 4.44Å; L88-V114 HydrophobicContact CD1-CG2 4.33Å
89V90.1Very high82.2Confident9 Ų954.2 Ų54.26%0.05532%0.321CS..EExtended strand (participates in β ladder)trans-123.1156.3-177-57.40000110.5T95 L112 M113 L115 W121V89-T95 CarbonylContact C-O 3.32Å; V89-T95 VanDerWaalsContact CA-O 3.28Å; V89-T95 WeakPolarHBondContact CA-O 3.37Å; V89-L112 CarbonylContact O-C 3.51Å; V89-L112 WeakPolarHBondContact O-CA 3.05Å; V89-M113 HydrophobicContact CG2-CB 3.84Å; V89-M113 HydrophobicContact CG2-CG 4.27Å; V89-M113 HydrophobicContact CG2-SD 4.49Å; V89-M113 PolarHBondContact N-O 3.46Å; V89-M113 PolarHBondContact O-N 2.86Å; V89-L115 HydrophobicContact CG1-CD1 3.7Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; V89-L115 HydrophobicContact CG2-CD1 4.08Å; V89-L115 HydrophobicContact CG2-CD2 4.29Å; V89-L115 HydrophobicContact CG2-CG 4.1Å; V89-W121 HydrophobicContact CG2-CB 4.22Å; V89-W121 HydrophobicContact CG2-CG 4.24Å
90L88.1Confident82.3Confident18 Ų1855.9 Ų55.99%0.09433%0.325CS..EExtended strand (participates in β ladder)trans-70134.8167.8-72.5174.4000109.7E92 D93 G94 T95 V97 F102 L106 T110 L112 W121L90-E92 PolarHBondContact O-N 3Å; L90-D93 WeakPolarHBondContact CB-OD1 3.21Å; L90-G94 WeakPolarHBondContact O-CA 3.12Å; L90-G94 PolarHBondContact O-N 2.8Å; L90-T95 PolarHBondContact N-O 3.14Å; L90-V97 HydrophobicContact CG-CG2 4.31Å; L90-F102 HydrophobicContact CD1-CE1 4.09Å; L90-F102 HydrophobicContact CD1-CZ 3.99Å; L90-L106 HydrophobicContact CD1-CD2 4.27Å; L90-L106 HydrophobicContact CD2-CD1 4.28Å; L90-L106 HydrophobicContact CD2-CD2 4.03Å; L90-T110 HydrophobicContact CD2-CG2 3.34Å; L90-L112 HydrophobicContact CD2-CD2 3.61Å; L90-L112 HydrophobicContact CG-CD2 4.36Å; L90-W121 PolarHBondContact O-NE1 3.26Å
91D84.8Confident82.6Confident13 Ų1362.3 Ų62.37%0.0736%0.355CS..THydrogen-bonded Turntrans-63-27.2177.9179.546.6000112R58 V111 M113 W121 R130R58-D91 IonicContact CZ-OD1 2.78Å; R58-D91 VanDerWaalsContact CZ-OD1 3.29Å; R58-D91 IonicContact NE-OD1 2.71Å; R58-D91 PolarHBondContact NE-OD1 2.64Å; R58-D91 IonicContact NH2-OD1 3.44Å; R58-D91 PolarHBondContact NH2-OD1 2.81Å; D91-V111 HydrophobicContact CB-CB 4.13Å; D91-V111 HydrophobicContact CB-CG1 3.71Å; D91-V111 PolarHBondContact N-O 3.16Å; D91-V111 VanDerWaalsContact N-O 3.11Å; D91-M113 WeakPolarHBondContact OD1-CE 3.11Å; D91-W121 PolarHBondContact O-NE1 2.97Å; D91-R130 IonicContact OD2-NH2 2.77Å; D91-R130 PolarHBondContact OD2-NH2 2.81Å
92E78.9Confident83Confident61 Ų6160.7 Ų60.729%0.28534%0.335SS..THydrogen-bonded Turntrans-72.7-50.7-172.2-57.7-56.2124.600114.3L90 R130L90-E92 PolarHBondContact O-N 3Å; E92-R130 VanDerWaalsContact CD-CD 3.48Å; E92-R130 VanDerWaalsContact CD-NE 3.28Å; E92-R130 WeakPolarHBondContact OE1-CD 3.35Å; E92-R130 IonicContact OE1-CZ 3.29Å; E92-R130 IonicContact OE1-NE 3.46Å; E92-R130 PolarHBondContact OE1-NE 3.25Å; E92-R130 IonicContact OE1-NH2 2.98Å; E92-R130 PolarHBondContact OE1-NH2 2.98Å; E92-R130 WeakPolarHBondContact OE2-CB 3.4Å; E92-R130 WeakPolarHBondContact OE2-CD 3.38Å; E92-R130 WeakPolarHBondContact OE2-CG 3.42Å; E92-R130 IonicContact OE2-NE 3.33Å; E92-R130 PolarHBondContact OE2-NE 2.83Å; E92-R130 VanDerWaalsContact OE2-NE 3.16Å
93D74.6Confident83.5Confident75 Ų7559.4 Ų59.440%0.40133%0.328SS..THydrogen-bonded Turntrans-128.3-5.6-167.760.6-8.2000112.4L90 T95 W121L90-D93 WeakPolarHBondContact CB-OD1 3.21Å; D93-T95 PolarHBondContact O-N 3.36Å; D93-T95 WeakPolarHBondContact OD1-CB 3.26Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 VanDerWaalsContact OD1-N 3.1Å; D93-T95 PolarHBondContact OD1-OG1 2.92Å; D93-T95 PolarHBondContact OD2-OG1 2.8Å; D93-W121 VanDerWaalsContact C-CZ2 3.49Å
94G81.4Confident84.4Confident20 Ų2052.4 Ų52.421%0.20630%0.296CS..  trans73.413.1-177.800000113.5L90 G96 W121L90-G94 WeakPolarHBondContact O-CA 3.12Å; L90-G94 PolarHBondContact O-N 2.8Å; G94-G96 PolarHBondContact O-N 3.28Å; G94-W121 VanDerWaalsContact CA-CD2 3.49Å; G94-W121 VanDerWaalsContact CA-CE2 3.44Å
95T86.3Confident85.1Confident55 Ų5553.8 Ų53.834%0.33730%0.302SS..  trans-65.4126.7178.6-64.10000110V89 L90 D93 F102V89-T95 CarbonylContact C-O 3.32Å; V89-T95 VanDerWaalsContact CA-O 3.28Å; V89-T95 WeakPolarHBondContact CA-O 3.37Å; L90-T95 PolarHBondContact N-O 3.14Å; D93-T95 PolarHBondContact O-N 3.36Å; D93-T95 WeakPolarHBondContact OD1-CB 3.26Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 VanDerWaalsContact OD1-N 3.1Å; D93-T95 PolarHBondContact OD1-OG1 2.92Å; D93-T95 PolarHBondContact OD2-OG1 2.8Å; T95-F102 HydrophobicContact CG2-CE1 4.06Å; T95-F102 HydrophobicContact CG2-CZ 3.82Å
96G86.8Confident85.6Confident34 Ų3453.1 Ų53.135%0.35130%0.297SS..BIsolated β-bridgetrans-69.8126.9177.800000112.5G94 E98G94-G96 PolarHBondContact O-N 3.28Å; G96-E98 PolarHBondContact O-N 2.8Å
97V88.6Confident85.8Confident7 Ų754.3 Ų54.34%0.04230%0.303CS..  trans-91.482.7172.7-174.20000108.2L69 L88 L90 F102 F103 L106 L112L69-V97 HydrophobicContact CD1-CG1 3.75Å; L69-V97 HydrophobicContact CD2-CG1 4.37Å; L88-V97 HydrophobicContact CD2-CB 4.4Å; L88-V97 PolarHBondContact O-N 3.43Å; L90-V97 HydrophobicContact CG-CG2 4.31Å; V97-F102 HydrophobicContact CB-CD1 4.3Å; V97-F102 HydrophobicContact CG1-CD1 4.13Å; V97-F102 HydrophobicContact CG2-CD1 4.03Å; V97-F102 HydrophobicContact CG2-CE1 3.91Å; V97-F103 HydrophobicContact CG1-CB 3.95Å; V97-F103 HydrophobicContact CG1-CD2 4.3Å; V97-L106 HydrophobicContact CG1-CD1 4.43Å; V97-L106 HydrophobicContact CG2-CD1 4.2Å; V97-L112 HydrophobicContact CG2-CD2 3.71Å
98E86.6Confident85.7Confident168 Ų16858.7 Ų58.779%0.78532%0.317SS*.  trans-99.6-28-178.8-63.9-178.2-178.300112.9G96G96-E98 PolarHBondContact O-N 2.8Å
99T88.3Confident85.4Confident77 Ų7761.9 Ų61.947%0.47233%0.334SS..  trans-105.2137.4-174.8-44.50000111.4E101 F102 F103T99-E101 HydrophobicContact CG2-CB 4.04Å; T99-E101 HydrophobicContact CG2-CG 4.22Å; T99-E101 PolarHBondContact O-N 2.64Å; T99-F102 PolarHBondContact O-N 2.76Å; T99-F102 VanDerWaalsContact O-N 3.16Å; T99-F103 PolarHBondContact O-N 2.94Å; T99-F103 VanDerWaalsContact O-N 3.07Å
100E88.5Confident85.3Confident67 Ų6762.3 Ų62.331%0.31334%0.337SS..Hα-helixtrans-56.9-38.6174.2-177.262.6-144.100111.9T68 L69 F102 F103 Q104T68-E100 WeakPolarHBondContact CA-OE1 3.29Å; L69-E100 WeakPolarHBondContact CB-OE2 3.16Å; L69-E100 PolarHBondContact N-OE2 2.72Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.91Å; E100-F103 WeakPolarHBondContact O-CB 3.22Å; E100-F103 PolarHBondContact O-N 2.8Å; E100-Q104 HydrophobicContact CG-CG 4.47Å; E100-Q104 WeakPolarHBondContact O-CG 3.32Å; E100-Q104 PolarHBondContact O-N 2.86Å; E100-Q104 PolarHBondContact OE1-NE2 2.81Å
101E87.3Confident85.3Confident159 Ų15962.3 Ų62.374%0.74334%0.338SS*.Hα-helixtrans-59.9-44.5177.6-61-178.9-171.400111.8T99 Q104 T105T99-E101 HydrophobicContact CG2-CB 4.04Å; T99-E101 HydrophobicContact CG2-CG 4.22Å; T99-E101 PolarHBondContact O-N 2.64Å; E101-Q104 PolarHBondContact O-N 3.35Å; E101-T105 WeakPolarHBondContact O-CG2 3.33Å; E101-T105 PolarHBondContact O-N 3.23Å
102F87.3Confident85.5Confident72 Ų7261.7 Ų61.732%0.31633%0.334SS..Hα-helixtrans-63.3-46176.2-173.3-108.8000110.4L90 T95 V97 T99 E100 Q104 T105 L106L90-F102 HydrophobicContact CD1-CE1 4.09Å; L90-F102 HydrophobicContact CD1-CZ 3.99Å; T95-F102 HydrophobicContact CG2-CE1 4.06Å; T95-F102 HydrophobicContact CG2-CZ 3.82Å; V97-F102 HydrophobicContact CB-CD1 4.3Å; V97-F102 HydrophobicContact CG1-CD1 4.13Å; V97-F102 HydrophobicContact CG2-CD1 4.03Å; V97-F102 HydrophobicContact CG2-CE1 3.91Å; T99-F102 PolarHBondContact O-N 2.76Å; T99-F102 VanDerWaalsContact O-N 3.16Å; E100-F102 VanDerWaalsContact C-N 3.34Å; E100-F102 PolarHBondContact O-N 2.91Å; F102-Q104 VanDerWaalsContact C-N 3.29Å; F102-Q104 PolarHBondContact O-N 3.25Å; F102-T105 PolarHBondContact O-N 3.39Å; F102-T105 VanDerWaalsContact O-N 3.1Å; F102-T105 PolarHBondContact O-OG1 3.42Å; F102-L106 HydrophobicContact CE1-CD2 4.07Å; F102-L106 HydrophobicContact CZ-CD2 4.23Å; F102-L106 PolarHBondContact O-N 3.19Å
103F87.6Confident86Confident1 Ų158.8 Ų58.80%0.00432%0.321CS..Hα-helixtrans-55.8-41.7175.8175.7-107.1000112.8F51 A66 T68 L69 L72 V97 T99 E100 T105 L106F51-F103 HydrophobicContact CD1-CE2 4.2Å; F51-F103 HydrophobicContact CD2-CE2 4.03Å; F51-F103 AromaticContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CD2-CZ 3.93Å; F51-F103 HydrophobicContact CE1-CD2 4.44Å; F51-F103 AromaticContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CE2 3.7Å; F51-F103 HydrophobicContact CE1-CZ 4.16Å; F51-F103 HydrophobicContact CE2-CE1 4.17Å; F51-F103 AromaticContact CE2-CE2 3.52Å; F51-F103 HydrophobicContact CE2-CE2 3.52Å; F51-F103 AromaticContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CE2-CZ 3.16Å; F51-F103 HydrophobicContact CG-CE2 4.34Å; F51-F103 HydrophobicContact CZ-CD2 4.25Å; F51-F103 HydrophobicContact CZ-CE1 4.14Å; F51-F103 AromaticContact CZ-CE2 3.32Å; F51-F103 HydrophobicContact CZ-CE2 3.32Å; F51-F103 AromaticContact CZ-CZ 3.3Å; F51-F103 HydrophobicContact CZ-CZ 3.3Å; A66-F103 HydrophobicContact CB-CZ 4.29Å; T68-F103 VanDerWaalsContact C-CE1 3.42Å; L69-F103 HydrophobicContact CB-CB 4.21Å; L69-F103 HydrophobicContact CB-CD1 4.2Å; L69-F103 HydrophobicContact CB-CG 4.1Å; L69-F103 HydrophobicContact CD1-CB 4.45Å; L69-F103 HydrophobicContact CD1-CD2 4.2Å; L69-F103 HydrophobicContact CD1-CG 4.35Å; L72-F103 HydrophobicContact CB-CZ 4.37Å; L72-F103 HydrophobicContact CD2-CD2 4.29Å; L72-F103 HydrophobicContact CD2-CE2 3.52Å; L72-F103 HydrophobicContact CD2-CZ 4.14Å; V97-F103 HydrophobicContact CG1-CB 3.95Å; V97-F103 HydrophobicContact CG1-CD2 4.3Å; T99-F103 PolarHBondContact O-N 2.94Å; T99-F103 VanDerWaalsContact O-N 3.07Å; E100-F103 WeakPolarHBondContact O-CB 3.22Å; E100-F103 PolarHBondContact O-N 2.8Å; F103-T105 VanDerWaalsContact C-N 3.32Å; F103-T105 PolarHBondContact O-N 3.3Å; F103-L106 HydrophobicContact CD2-CD1 4.3Å; F103-L106 WeakPolarHBondContact O-CB 3.49Å; F103-L106 PolarHBondContact O-N 3.42Å
104Q86.2Confident86.8Confident46 Ų4655.3 Ų55.322%0.21530%0.302CS..Hα-helixtrans-69.1-28.3179.1-70-60.6-20.800113.7K49 E67 E100 E101 F102 L106K49-Q104 PolarHBondContact NZ-O 3.03Å; E67-Q104 PolarHBondContact O-NE2 3.39Å; E100-Q104 HydrophobicContact CG-CG 4.47Å; E100-Q104 WeakPolarHBondContact O-CG 3.32Å; E100-Q104 PolarHBondContact O-N 2.86Å; E100-Q104 PolarHBondContact OE1-NE2 2.81Å; E101-Q104 PolarHBondContact O-N 3.35Å; F102-Q104 VanDerWaalsContact C-N 3.29Å; F102-Q104 PolarHBondContact O-N 3.25Å; Q104-L106 VanDerWaalsContact C-N 3.29Å
105T86.7Confident87Confident105 Ų10554.9 Ų54.964%0.64430%0.295SS*.Hα-helixtrans-75.3-16.417562.20000113.7E101 F102 F103E101-T105 WeakPolarHBondContact O-CG2 3.33Å; E101-T105 PolarHBondContact O-N 3.23Å; F102-T105 PolarHBondContact O-N 3.39Å; F102-T105 VanDerWaalsContact O-N 3.1Å; F102-T105 PolarHBondContact O-OG1 3.42Å; F103-T105 VanDerWaalsContact C-N 3.32Å; F103-T105 PolarHBondContact O-N 3.3Å
106L86.8Confident86.9Confident15 Ų1555.7 Ų55.78%0.07930%0.295CS..SBendtrans-66.4139.2-179.5-63.5177.2000111.4L90 V97 F102 F103 Q104 T110 L112L90-L106 HydrophobicContact CD1-CD2 4.27Å; L90-L106 HydrophobicContact CD2-CD1 4.28Å; L90-L106 HydrophobicContact CD2-CD2 4.03Å; V97-L106 HydrophobicContact CG1-CD1 4.43Å; V97-L106 HydrophobicContact CG2-CD1 4.2Å; F102-L106 HydrophobicContact CE1-CD2 4.07Å; F102-L106 HydrophobicContact CZ-CD2 4.23Å; F102-L106 PolarHBondContact O-N 3.19Å; F103-L106 HydrophobicContact CD2-CD1 4.3Å; F103-L106 WeakPolarHBondContact O-CB 3.49Å; F103-L106 PolarHBondContact O-N 3.42Å; Q104-L106 VanDerWaalsContact C-N 3.29Å; L106-T110 HydrophobicContact CD1-CG2 4.34Å; L106-T110 HydrophobicContact CD2-CG2 4.46Å; L106-L112 HydrophobicContact CD1-CD2 4.19Å
107P83.7Confident86.4Confident88 Ų8861.3 Ų61.357%0.57131%0.31SS*.PPolyproline II helixtrans-67.9157.6176.126.4-31000111.5T110P107-T110 VanDerWaalsContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CG-OG1 3.34Å; P107-T110 WeakPolarHBondContact O-CB 3.42Å; P107-T110 PolarHBondContact O-N 3.48Å; P107-T110 PolarHBondContact O-OG1 2.89Å
108E82.8Confident85.5Confident131 Ų13169.5 Ų69.561%0.61235%0.347SS*.THydrogen-bonded Turntrans-58.7143.7173.4-63.4178.9-17200110.8P50 T110P50-E108 HydrophobicContact CG-CB 4.43Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 3.24Å
109N82.5Confident85.1Confident78 Ų7864.8 Ų64.842%0.41733%0.326SS..THydrogen-bonded Turntrans6619.4-178-52.9-74.2000115.7P50P50-N109 WeakPolarHBondContact O-CA 3.47Å; P50-N109 PolarHBondContact O-N 3.02Å
110T87.6Confident84.7Confident18 Ų1870 Ų7011%0.1134%0.342CS..  trans-54.9138.8170.9-64.50000111.1R52 L90 L106 P107 E108 L112R52-T110 PolarHBondContact N-O 2.79Å; L90-T110 HydrophobicContact CD2-CG2 3.34Å; L106-T110 HydrophobicContact CD1-CG2 4.34Å; L106-T110 HydrophobicContact CD2-CG2 4.46Å; P107-T110 VanDerWaalsContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CD-OG1 3.27Å; P107-T110 WeakPolarHBondContact CG-OG1 3.34Å; P107-T110 WeakPolarHBondContact O-CB 3.42Å; P107-T110 PolarHBondContact O-N 3.48Å; P107-T110 PolarHBondContact O-OG1 2.89Å; E108-T110 VanDerWaalsContact C-N 3.27Å; E108-T110 PolarHBondContact O-N 3.24Å; T110-L112 HydrophobicContact CG2-CD2 4.35Å; T110-L112 HydrophobicContact CG2-CG 4.42Å
111V87.7Confident84.4Confident19 Ų1970 Ų7012%0.11534%0.339CS..EExtended strand (participates in β ladder)trans-91.8114.6178.3-171.10000109.4R52 T54 D91R52-V111 HydrophobicContact CB-CG2 4.24Å; R52-V111 CarbonylContact O-C 3.49Å; R52-V111 VanDerWaalsContact O-CA 3.26Å; R52-V111 WeakPolarHBondContact O-CA 3.41Å; T54-V111 HydrophobicContact CG2-CG1 4.21Å; D91-V111 HydrophobicContact CB-CB 4.13Å; D91-V111 HydrophobicContact CB-CG1 3.71Å; D91-V111 PolarHBondContact N-O 3.16Å; D91-V111 VanDerWaalsContact N-O 3.11Å
112L90Very high83.8Confident0 Ų065.1 Ų65.10%032%0.322CS..EExtended strand (participates in β ladder)trans-108.8144.8178.8-62.8165.5000108.9F51 R52 V53 T54 L72 L88 V89 L90 V97 L106 T110F51-L112 HydrophobicContact CB-CD1 4.29Å; F51-L112 HydrophobicContact CD1-CD1 4.06Å; F51-L112 HydrophobicContact CG-CD1 4.34Å; R52-L112 PolarHBondContact O-N 3.32Å; V53-L112 CarbonylContact C-O 3.54Å; V53-L112 VanDerWaalsContact CA-O 3.22Å; V53-L112 WeakPolarHBondContact CA-O 3.31Å; V53-L112 HydrophobicContact CG2-CB 4.37Å; T54-L112 PolarHBondContact N-O 3.39Å; T54-L112 PolarHBondContact OG1-O 3.01Å; L72-L112 HydrophobicContact CD2-CD1 3.57Å; L88-L112 HydrophobicContact CD1-CB 3.99Å; L88-L112 HydrophobicContact CD2-CD1 4.1Å; L88-L112 HydrophobicContact CG-CB 4.32Å; L88-L112 HydrophobicContact CG-CD2 4.47Å; V89-L112 CarbonylContact O-C 3.51Å; V89-L112 WeakPolarHBondContact O-CA 3.05Å; L90-L112 HydrophobicContact CD2-CD2 3.61Å; L90-L112 HydrophobicContact CG-CD2 4.36Å; V97-L112 HydrophobicContact CG2-CD2 3.71Å; L106-L112 HydrophobicContact CD1-CD2 4.19Å; T110-L112 HydrophobicContact CG2-CD2 4.35Å; T110-L112 HydrophobicContact CG2-CG 4.42Å
113M89.3Confident82.8Confident0 Ų067.3 Ų67.30%034%0.336CS..EExtended strand (participates in β ladder)trans-112.4130174.1176.8179.6-69.200108.6T54 R58 V89 D91 L115T54-M113 WeakPolarHBondContact O-CA 3.32Å; R58-M113 HydrophobicContact CG-CE 3.77Å; R58-M113 VanDerWaalsContact CZ-CE 3.44Å; V89-M113 HydrophobicContact CG2-CB 3.84Å; V89-M113 HydrophobicContact CG2-CG 4.27Å; V89-M113 HydrophobicContact CG2-SD 4.49Å; V89-M113 PolarHBondContact N-O 3.46Å; V89-M113 PolarHBondContact O-N 2.86Å; D91-M113 WeakPolarHBondContact OD1-CE 3.11Å; M113-L115 HydrophobicContact CG-CD2 4.06Å; M113-L115 HydrophobicContact SD-CD2 4Å
114V90.2Very high81.6Confident1 Ų170.8 Ų70.81%0.00635%0.353CS..EExtended strand (participates in β ladder)trans-90.5134.6174.2890000109.7V53 T54 V56 V76 L82 V85 L88V53-V114 HydrophobicContact CG1-CB 4.21Å; T54-V114 PolarHBondContact O-N 3.13Å; V56-V114 VanDerWaalsContact CG2-O 3.32Å; V56-V114 WeakPolarHBondContact CG2-O 3.37Å; V76-V114 HydrophobicContact CG1-CB 3.9Å; V76-V114 HydrophobicContact CG1-CG1 4.28Å; V76-V114 HydrophobicContact CG1-CG2 3.42Å; V76-V114 VanDerWaalsContact CG1-CG2 3.42Å; L82-V114 HydrophobicContact CD1-CG1 3.58Å; L82-V114 HydrophobicContact CD1-CG2 4.24Å; V85-V114 HydrophobicContact CB-CG2 4.25Å; V85-V114 HydrophobicContact CG1-CG2 3.47Å; V85-V114 VanDerWaalsContact CG1-CG2 3.47Å; V85-V114 HydrophobicContact CG2-CG2 3.88Å; L88-V114 HydrophobicContact CD1-CB 4.44Å; L88-V114 HydrophobicContact CD1-CG2 4.33Å
115L87.2Confident80Confident12 Ų1274.3 Ų74.36%0.06338%0.379CS..EExtended strand (participates in β ladder)trans-112.3131.5176.6-54.8-176.2000109.9V56 S86 A87 V89 M113 W121V56-L115 HydrophobicContact CG2-CD2 3.56Å; S86-L115 PolarHBondContact N-O 2.95Å; A87-L115 HydrophobicContact CB-CB 4.3Å; A87-L115 HydrophobicContact CB-CD1 4.22Å; A87-L115 PolarHBondContact N-O 2.83Å; A87-L115 WeakPolarHBondContact O-CB 3.31Å; A87-L115 PolarHBondContact O-N 2.91Å; V89-L115 HydrophobicContact CG1-CD1 3.7Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; V89-L115 HydrophobicContact CG2-CD1 4.08Å; V89-L115 HydrophobicContact CG2-CD2 4.29Å; V89-L115 HydrophobicContact CG2-CG 4.1Å; M113-L115 HydrophobicContact CG-CD2 4.06Å; M113-L115 HydrophobicContact SD-CD2 4Å; L115-W121 HydrophobicContact CD1-CB 4.34Å
116E83.9Confident78.2Confident72 Ų7275.8 Ų75.834%0.33638%0.383SS..  trans-86.1174.1169.5-152.6-179.8-176.500111.4E118 Q119E116-E118 PolarHBondContact O-N 2.87Å; E116-Q119 VanDerWaalsContact CB-CD 3.45Å; E116-Q119 HydrophobicContact CB-CG 4.26Å; E116-Q119 VanDerWaalsContact N-OE1 3.1Å; E116-Q119 WeakPolarHBondContact O-CB 3.49Å; E116-Q119 PolarHBondContact O-N 3.25Å; E116-Q119 VanDerWaalsContact O-N 3.08Å; E116-Q119 PolarHBondContact OE2-NE2 3.1Å
117K75.3Confident76.2Confident151 Ų15177.3 Ų77.366%0.65740%0.395SS*.THydrogen-bonded Turntrans-55.2129.4176.9-166.5-176174.9-173.10109.5S86 Q119S86-K117 WeakPolarHBondContact OG-CA 3.33Å; S86-K117 PolarHBondContact OG-N 2.74Å; K117-Q119 VanDerWaalsContact C-N 3.26Å; K117-Q119 PolarHBondContact O-N 2.62Å
118E70.8Confident74.3Confident179 Ų17978.1 Ų78.184%0.83640%0.4SS*.THydrogen-bonded Turntrans71.82-178.9-60.9166.8-163.900116.4E116E116-E118 PolarHBondContact O-N 2.87Å
119Q78.4Confident72.3Confident70 Ų7074 Ų7433%0.32739%0.386SS..  trans-87.8137173.9-65.1170.96.600111V56 E116 K117V56-Q119 HydrophobicContact CG2-CB 4.21Å; E116-Q119 VanDerWaalsContact CB-CD 3.45Å; E116-Q119 HydrophobicContact CB-CG 4.26Å; E116-Q119 VanDerWaalsContact N-OE1 3.1Å; E116-Q119 WeakPolarHBondContact O-CB 3.49Å; E116-Q119 PolarHBondContact O-N 3.25Å; E116-Q119 VanDerWaalsContact O-N 3.08Å; E116-Q119 PolarHBondContact OE2-NE2 3.1Å; K117-Q119 VanDerWaalsContact C-N 3.26Å; K117-Q119 PolarHBondContact O-N 2.62Å
120K78.8Confident70.6Confident186 Ų18675.1 Ų75.181%0.80938%0.384SS*.  trans-110.1143.7174.2-68.8-176.1179.4179.80109.8S122K120-S122 PolarHBondContact O-N 3.41Å
121W81.5Confident68.5Low67 Ų6778.8 Ų78.825%0.25440%0.403SS..  trans-57133170.2175.385.5000110.1V89 L90 D91 D93 G94 L115 L123V89-W121 HydrophobicContact CG2-CB 4.22Å; V89-W121 HydrophobicContact CG2-CG 4.24Å; L90-W121 PolarHBondContact O-NE1 3.26Å; D91-W121 PolarHBondContact O-NE1 2.97Å; D93-W121 VanDerWaalsContact C-CZ2 3.49Å; G94-W121 VanDerWaalsContact CA-CD2 3.49Å; G94-W121 VanDerWaalsContact CA-CE2 3.44Å; L115-W121 HydrophobicContact CD1-CB 4.34Å; W121-L123 HydrophobicContact CH2-CD1 4.21Å; W121-L123 HydrophobicContact CH2-CD2 3.26Å; W121-L123 HydrophobicContact CH2-CG 3.38Å; W121-L123 HydrophobicContact CZ2-CD2 3.69Å; W121-L123 HydrophobicContact CZ2-CG 4.04Å; W121-L123 HydrophobicContact CZ3-CD1 4.31Å; W121-L123 HydrophobicContact CZ3-CD2 4.12Å; W121-L123 HydrophobicContact CZ3-CG 3.7Å
122S75.3Confident66.3Low56 Ų5682.2 Ų82.239%0.39242%0.418SS..  trans-122.2133.7176.663.70000110.7R58 K120 H124R58-S122 PolarHBondContact NH1-O 3.42Å; R58-S122 PolarHBondContact NH2-O 3.35Å; K120-S122 PolarHBondContact O-N 3.41Å; S122-H124 PolarHBondContact O-N 2.8Å
123L66.3Low63.8Low118 Ų11886.6 Ų86.662%0.61845%0.445SS*.  trans-61.9129.7168.1-78.8162.6000108.8W121 P125W121-L123 HydrophobicContact CH2-CD1 4.21Å; W121-L123 HydrophobicContact CH2-CD2 3.26Å; W121-L123 HydrophobicContact CH2-CG 3.38Å; W121-L123 HydrophobicContact CZ2-CD2 3.69Å; W121-L123 HydrophobicContact CZ2-CG 4.04Å; W121-L123 HydrophobicContact CZ3-CD1 4.31Å; W121-L123 HydrophobicContact CZ3-CD2 4.12Å; W121-L123 HydrophobicContact CZ3-CG 3.7Å; L123-P125 WeakPolarHBondContact O-CD 3.49Å
124H62Low61.7Low74 Ų7493.5 Ų93.534%0.34348%0.48SS..  trans-65.4123.8-179.3-173.938.4000110.5S122 N126 C127S122-H124 PolarHBondContact O-N 2.8Å; H124-N126 VanDerWaalsContact CD2-C 3.42Å; H124-N126 PolarHBondContact O-N 3.12Å; H124-C127 HydrophobicContact CB-CB 3.88Å; H124-C127 PolarHBondContact CD2-N 2.83Å; H124-C127 PolarHBondContact CD2-SG 2.8Å; H124-C127 PolarHBondContact O-N 2.8Å
125P54Low59.1Low120 Ų12098.5 Ų98.578%0.77950%0.503SS*.THydrogen-bonded Turntrans-67-18.617922.2-31.7000113.8L123L123-P125 WeakPolarHBondContact O-CD 3.49Å
126N49.2Very low56.9Low136 Ų136102 Ų10273%0.72753%0.527SS*.THydrogen-bonded Turntrans-114.112.4179.2-78.5-24.3000114H124 P128H124-N126 VanDerWaalsContact CD2-C 3.42Å; H124-N126 PolarHBondContact O-N 3.12Å; N126-P128 VanDerWaalsContact O-CD 3.26Å; N126-P128 WeakPolarHBondContact O-CD 3.5Å
127C43.6Very low55Low48 Ų48106.1 Ų106.132%0.32455%0.551SS.*  trans-83.9118.8162.8-97.20000107.2H124 S129H124-C127 HydrophobicContact CB-CB 3.88Å; H124-C127 PolarHBondContact CD2-N 2.83Å; H124-C127 PolarHBondContact CD2-SG 2.8Å; H124-C127 PolarHBondContact O-N 2.8Å; C127-S129 PolarHBondContact O-N 2.81Å
128P43.3Very low53.5Low104 Ų104106.9 Ų106.968%0.67556%0.557SS**  trans-60.396.2145.927-27.4000104.7N126 R130N126-P128 VanDerWaalsContact O-CD 3.26Å; N126-P128 WeakPolarHBondContact O-CD 3.5Å; P128-R130 PolarHBondContact O-N 2.8Å
129S41.6Very low52Low46 Ų46104.7 Ų104.732%0.32255%0.545SS..  trans-11.8115.5-17957.90000112.9C127 L131 Q132C127-S129 PolarHBondContact O-N 2.81Å; S129-L131 PolarHBondContact O-N 2.73Å; S129-Q132 WeakPolarHBondContact O-CA 3.45Å; S129-Q132 WeakPolarHBondContact O-CB 3.38Å; S129-Q132 PolarHBondContact O-N 2.77Å; S129-Q132 VanDerWaalsContact OG-CG 3.31Å; S129-Q132 WeakPolarHBondContact OG-CG 3.37Å; S129-Q132 PolarHBondContact OG-NE2 2.95Å
130R45.6Very low50.5Low100 Ų100107.2 Ų107.238%0.37757%0.567SS.*THydrogen-bonded Turntrans-70.8-4.6172.4-159-176.4-12.4-128.812.7112.1D91 E92 P128 Q132 T133D91-R130 IonicContact OD2-NH2 2.77Å; D91-R130 PolarHBondContact OD2-NH2 2.81Å; E92-R130 VanDerWaalsContact CD-CD 3.48Å; E92-R130 VanDerWaalsContact CD-NE 3.28Å; E92-R130 WeakPolarHBondContact OE1-CD 3.35Å; E92-R130 IonicContact OE1-CZ 3.29Å; E92-R130 IonicContact OE1-NE 3.46Å; E92-R130 PolarHBondContact OE1-NE 3.25Å; E92-R130 IonicContact OE1-NH2 2.98Å; E92-R130 PolarHBondContact OE1-NH2 2.98Å; E92-R130 WeakPolarHBondContact OE2-CB 3.4Å; E92-R130 WeakPolarHBondContact OE2-CD 3.38Å; E92-R130 WeakPolarHBondContact OE2-CG 3.42Å; E92-R130 IonicContact OE2-NE 3.33Å; E92-R130 PolarHBondContact OE2-NE 2.83Å; E92-R130 VanDerWaalsContact OE2-NE 3.16Å; P128-R130 PolarHBondContact O-N 2.8Å; R130-Q132 PolarHBondContact O-N 2.86Å; R130-T133 WeakPolarHBondContact CG-OG1 3.43Å; R130-T133 WeakPolarHBondContact O-CB 3.43Å; R130-T133 PolarHBondContact O-N 3.05Å; R130-T133 PolarHBondContact O-OG1 3.18Å
131L43.7Very low49.1Very low96 Ų96108.2 Ų108.250%0.50357%0.566SS.*Hα-helixtrans-54.7-25.7153.5-71167.8000113.2S129 T133 E135S129-L131 PolarHBondContact O-N 2.73Å; L131-T133 PolarHBondContact O-N 2.81Å; L131-E135 WeakPolarHBondContact O-CG 3.15Å; L131-E135 PolarHBondContact O-N 2.75Å
132Q42.6Very low47.6Very low90 Ų90111.8 Ų111.842%0.42160%0.596SS.*Hα-helixtrans-70.1-14.7169.1-73.3170.633.900112.7S129 R130 C136S129-Q132 WeakPolarHBondContact O-CA 3.45Å; S129-Q132 WeakPolarHBondContact O-CB 3.38Å; S129-Q132 PolarHBondContact O-N 2.77Å; S129-Q132 VanDerWaalsContact OG-CG 3.31Å; S129-Q132 WeakPolarHBondContact OG-CG 3.37Å; S129-Q132 PolarHBondContact OG-NE2 2.95Å; R130-Q132 PolarHBondContact O-N 2.86Å; Q132-C136 VanDerWaalsContact O-CA 3.3Å; Q132-C136 WeakPolarHBondContact O-CA 3.34Å; Q132-C136 WeakPolarHBondContact O-CB 3.34Å; Q132-C136 PolarHBondContact O-N 3.05Å
133T38.2Very low46.6Very low93 Ų93113.3 Ų113.357%0.57160%0.599SS**Hα-helixtrans-76.7-31.5179.9-46.50000111.4R130 L131R130-T133 WeakPolarHBondContact CG-OG1 3.43Å; R130-T133 WeakPolarHBondContact O-CB 3.43Å; R130-T133 PolarHBondContact O-N 3.05Å; R130-T133 PolarHBondContact O-OG1 3.18Å; L131-T133 PolarHBondContact O-N 2.81Å
134I44.1Very low46.7Very low145 Ų145111.6 Ų111.674%0.74459%0.594SS**Hα-helixtrans-83.4-35.8172.4-56.1-178.8000110.3
135E36.7Very low47.2Very low106 Ų106110.2 Ų110.250%0.49560%0.595SS.*Hα-helixtrans-79.8-17.8175.8-66.6-176.3173.500114.9L131 L137 Q138 K139L131-E135 WeakPolarHBondContact O-CG 3.15Å; L131-E135 PolarHBondContact O-N 2.75Å; E135-L137 VanDerWaalsContact C-N 3.29Å; E135-L137 PolarHBondContact O-N 2.88Å; E135-Q138 CarbonylContact O-C 3.44Å; E135-Q138 VanDerWaalsContact O-C 3.32Å; E135-Q138 PolarHBondContact O-N 3.01Å; E135-K139 PolarHBondContact O-N 2.94Å
136C39.6Very low48.4Very low84 Ų84110.2 Ų110.257%0.56858%0.582SS**THydrogen-bonded Turntrans-72.5-24.1178.7-1790000111.8Q132 Q138Q132-C136 VanDerWaalsContact O-CA 3.3Å; Q132-C136 WeakPolarHBondContact O-CA 3.34Å; Q132-C136 WeakPolarHBondContact O-CB 3.34Å; Q132-C136 PolarHBondContact O-N 3.05Å; C136-Q138 PolarHBondContact O-N 3.39Å
137L43.7Very low50.2Low159 Ų159109.1 Ų109.183%0.83258%0.576SS**THydrogen-bonded Turntrans-70.7-12167.7-93.8161.5000113E135E135-L137 VanDerWaalsContact C-N 3.29Å; E135-L137 PolarHBondContact O-N 2.88Å
138Q44Very low52.2Low167 Ų167108.6 Ų108.678%0.7857%0.572SS**SBendtrans-137.620.8-174.3-66.4-165.2-7.300115.6E135 C136 P140E135-Q138 CarbonylContact O-C 3.44Å; E135-Q138 VanDerWaalsContact O-C 3.32Å; E135-Q138 PolarHBondContact O-N 3.01Å; C136-Q138 PolarHBondContact O-N 3.39Å; Q138-P140 WeakPolarHBondContact O-CD 3.45Å
139K40.1Very low54.2Low133 Ų133108.8 Ų108.858%0.57857%0.566SS**  trans-86110.1158.2-93.5173.5178.1159.30107.8E135 R141E135-K139 PolarHBondContact O-N 2.94Å; K139-R141 PolarHBondContact O-N 3.27Å
140P46.9Very low56.3Low123 Ų123110.6 Ų110.680%0.79957%0.572SS**  trans-64.692.8155.929.3-27000104Q138 T142Q138-P140 WeakPolarHBondContact O-CD 3.45Å; P140-T142 PolarHBondContact O-N 2.76Å
141R49.3Very low58Low207 Ų207111.8 Ų111.878%0.78159%0.586SS**  trans-45.9136153.9-77.2-172.5163.5129.2-0.8104.7K139 D143K139-R141 PolarHBondContact O-N 3.27Å; R141-D143 PolarHBondContact O-N 3.15Å
142T49.4Very low59.7Low143 Ų143111.2 Ų111.288%0.87758%0.577SS**  trans-5869.816936.70000108.5P140 V144P140-T142 PolarHBondContact O-N 2.76Å; T142-V144 PolarHBondContact O-N 2.64Å
143D55.7Low61.5Low87 Ų87112.4 Ų112.447%0.46558%0.581SS.*  trans-90.497.8179.5-160.68.4000103.4R141 A145R141-D143 PolarHBondContact O-N 3.15Å; D143-A145 PolarHBondContact O-N 2.9Å; D143-A145 VanDerWaalsContact O-N 3.14Å
144V66.4Low63.2Low83 Ų83111.9 Ų111.950%0.50358%0.575SS.*SBendtrans-57.5-26.5-178.7179.90000109.6T142 F169 Y170T142-V144 PolarHBondContact O-N 2.64Å; V144-F169 WeakPolarHBondContact O-CA 3.14Å; V144-Y170 HydrophobicContact CG1-CD1 4.4Å; V144-Y170 HydrophobicContact CG1-CE1 3.78Å; V144-Y170 HydrophobicContact CG1-CE2 4.38Å; V144-Y170 PolarHBondContact O-N 3.08Å
145A73.8Confident64.3Low45 Ų45108.9 Ų108.937%0.37256%0.56SS.*EExtended strand (participates in β ladder)trans-152.5110.2174.500000112.5D143 T168 F169D143-A145 PolarHBondContact O-N 2.9Å; D143-A145 VanDerWaalsContact O-N 3.14Å; A145-T168 CarbonylContact C-O 3.51Å; A145-T168 WeakPolarHBondContact CA-O 3.46Å; A145-F169 HydrophobicContact CB-CD1 3.44Å; A145-F169 VanDerWaalsContact CB-CD1 3.44Å; A145-F169 HydrophobicContact CB-CE1 3.47Å; A145-F169 VanDerWaalsContact CB-CE1 3.47Å; A145-F169 HydrophobicContact CB-CG 4.42Å; A145-F169 HydrophobicContact CB-CZ 4.46Å
146K79.1Confident65.7Low119 Ų119109.5 Ų109.552%0.51757%0.573SS.*EExtended strand (participates in β ladder)trans-93.9110.2171.4174.6178.3-178.7175.80110.5A167 T168K146-A167 CarbonylContact O-C 3.59Å; K146-T168 PolarHBondContact N-O 3.48Å; K146-T168 PolarHBondContact O-N 3.44Å
147L86.1Confident66.9Low113 Ų113114.8 Ų114.859%0.59259%0.587SS**EExtended strand (participates in β ladder)trans-97.8132.9173.1-173.967.3000110.4V165 K166 A167L147-V165 HydrophobicContact CD1-CG1 3.93Å; L147-K166 CarbonylContact C-O 3.54Å; L147-K166 WeakPolarHBondContact CA-O 3.22Å; L147-A167 HydrophobicContact CD1-CB 3.8Å
148T86.2Confident67.9Low38 Ų38109 Ų10923%0.23356%0.557CS.*EExtended strand (participates in β ladder)trans-130136.5-179.8-50.20000109.3D150 V165 K166T148-D150 WeakPolarHBondContact CG2-OD1 3.5Å; T148-V165 CarbonylContact O-C 3.58Å; T148-V165 WeakPolarHBondContact O-CA 3.21Å; T148-K166 PolarHBondContact N-O 3.39Å; T148-K166 PolarHBondContact O-N 2.97Å
149L86Confident68.8Low108 Ų108109.5 Ų109.557%0.56556%0.557SS**EExtended strand (participates in β ladder)trans-127.399.5-175.9-61.9174.7000108.3L163 N164 V165L149-L163 HydrophobicContact CB-CD1 4.43Å; L149-N164 CarbonylContact C-O 3.53Å; L149-N164 WeakPolarHBondContact CA-O 3.27Å; L149-V165 HydrophobicContact CD2-CB 4.04Å; L149-V165 HydrophobicContact CD2-CG1 3.72Å; L149-V165 HydrophobicContact CD2-CG2 3.6Å
150D84.7Confident69.9Low83 Ų83105.6 Ų105.644%0.44454%0.542SS..EExtended strand (participates in β ladder)trans-106.4108.1-176.6-59.1-34.2000109.7T148 N164T148-D150 WeakPolarHBondContact CG2-OD1 3.5Å; D150-N164 HydrophobicContact CB-CB 4.22Å; D150-N164 PolarHBondContact N-O 2.93Å; D150-N164 PolarHBondContact O-N 3.37Å
151L82.6Confident71.2Confident126 Ų126100.1 Ų100.166%0.6651%0.508SS*.EExtended strand (participates in β ladder)trans-89.2118.2173.5-174.171.3000109.3L163L151-L163 HydrophobicContact CB-CD1 4.15Å; L151-L163 HydrophobicContact CD1-CB 4.05Å; L151-L163 HydrophobicContact CD1-CD1 4.27Å
152Y79.4Confident72.6Confident84 Ų8490.4 Ų90.433%0.32947%0.472SS..EExtended strand (participates in β ladder)trans-132.3155.6-178.669.8-80.5000111N154 G161 C162 N164 D178Y152-N154 WeakPolarHBondContact CD2-OD1 3.43Å; Y152-N154 WeakPolarHBondContact CE2-OD1 3.34Å; Y152-G161 CarbonylContact O-C 3.52Å; Y152-G161 WeakPolarHBondContact O-CA 3.35Å; Y152-C162 HydrophobicContact CD1-CB 4.26Å; Y152-C162 VanDerWaalsContact CD1-O 3.27Å; Y152-C162 WeakPolarHBondContact CD1-O 3.33Å; Y152-C162 HydrophobicContact CE1-CB 3.59Å; Y152-C162 HydrophobicContact CE2-CB 3.92Å; Y152-C162 PolarHBondContact N-O 3.07Å; Y152-C162 PolarHBondContact O-N 3.08Å; Y152-C162 VanDerWaalsContact O-O 3.09Å; Y152-C162 WeakPolarHBondContact OH-CB 3.02Å; Y152-N164 HydrophobicContact CD1-CB 4.47Å; Y152-N164 HydrophobicContact CE1-CB 4.08Å; Y152-D178 WeakPolarHBondContact CE1-OD1 3.21Å; Y152-D178 PolarHBondContact OH-OD1 3.14Å; Y152-D178 PolarHBondContact OH-OD2 3.18Å
153K80.5Confident74.2Confident114 Ų11486 Ų8650%0.49644%0.443SS..  trans-120.8111.1-171.3-176.6162.6169.7172.70110.3N155 P156 D158K153-N155 WeakPolarHBondContact CE-O 3.13Å; K153-N155 WeakPolarHBondContact CG-O 3.36Å; K153-P156 VanDerWaalsContact CE-C 3.43Å; K153-P156 WeakPolarHBondContact CE-O 3.46Å; K153-P156 PolarHBondContact NZ-O 2.96Å; K153-D158 WeakPolarHBondContact CE-O 3.14Å; K153-D158 PolarHBondContact NZ-O 2.9Å
154N73.3Confident75.6Confident83 Ų8383.7 Ų83.744%0.44443%0.43SS..SBendtrans-72.8-32.4-177.4-58.755000112.5Y152 C162Y152-N154 WeakPolarHBondContact CD2-OD1 3.43Å; Y152-N154 WeakPolarHBondContact CE2-OD1 3.34Å; N154-C162 PolarHBondContact OD1-SG 2.85Å
155N66.3Low76.6Confident81 Ų8181.5 Ų81.543%0.43342%0.417SS..  trans-132.2139.5174.6-59.8-80.1000111.8K153 K157 D158K153-N155 WeakPolarHBondContact CE-O 3.13Å; K153-N155 WeakPolarHBondContact CG-O 3.36Å; N155-K157 PolarHBondContact O-N 3.14Å; N155-K157 VanDerWaalsContact O-N 3.07Å; N155-D158 WeakPolarHBondContact CB-OD2 3.49Å; N155-D158 PolarHBondContact ND2-OD2 2.72Å; N155-D158 VanDerWaalsContact ND2-OD2 3.14Å; N155-D158 PolarHBondContact O-N 3.17Å; N155-D158 VanDerWaalsContact O-N 3.08Å
156P66.4Low77.4Confident119 Ų11983.4 Ų83.477%0.77342%0.417SS*.THydrogen-bonded Turntrans-59-24.6177.122.7-32.5000113.4K153K153-P156 VanDerWaalsContact CE-C 3.43Å; K153-P156 WeakPolarHBondContact CE-O 3.46Å; K153-P156 PolarHBondContact NZ-O 2.96Å
157K65.8Low77.9Confident195 Ų19578.7 Ų78.785%0.84840%0.4SS*.THydrogen-bonded Turntrans-81.1-12.5179.7-64.6-179.4-179.4177.10114.6N155N155-K157 PolarHBondContact O-N 3.14Å; N155-K157 VanDerWaalsContact O-N 3.07Å
158D65.1Low77.8Confident39 Ų3974.1 Ų74.121%0.20938%0.377CS..  trans-79.7128-178.7-66.9-26.3000110.7K153 N155 I160K153-D158 WeakPolarHBondContact CE-O 3.14Å; K153-D158 PolarHBondContact NZ-O 2.9Å; N155-D158 WeakPolarHBondContact CB-OD2 3.49Å; N155-D158 PolarHBondContact ND2-OD2 2.72Å; N155-D158 VanDerWaalsContact ND2-OD2 3.14Å; N155-D158 PolarHBondContact O-N 3.17Å; N155-D158 VanDerWaalsContact O-N 3.08Å; D158-I160 VanDerWaalsContact C-N 3.35Å
159F61.1Low77.7Confident176 Ų17676.9 Ų76.977%0.77239%0.385SS*.SBendtrans-75.4-27.5-176.1-147.8-93.8000112.2K185F159-K185 HydrophobicContact CB-CD 4.09Å
160I63.9Low77.4Confident51 Ų5179.9 Ų79.926%0.26239%0.39SS..SBendtrans-130.8124175.6-58.5171.2000106.2D158 C181 A184 K185 L188D158-I160 VanDerWaalsContact C-N 3.35Å; I160-C181 HydrophobicContact CB-CB 4.3Å; I160-C181 HydrophobicContact CG2-CB 3.44Å; I160-C181 VanDerWaalsContact CG2-CB 3.44Å; I160-A184 HydrophobicContact CD1-CB 4.27Å; I160-K185 HydrophobicContact CD1-CB 4.43Å; I160-L188 HydrophobicContact CD1-CD2 4.39Å
161G74.9Confident76.8Confident9 Ų979 Ų799%0.09340%0.402CS..  trans-76.5-170.6177.600000113.3Y152 C181Y152-G161 CarbonylContact O-C 3.52Å; Y152-G161 WeakPolarHBondContact O-CA 3.35Å; G161-C181 WeakPolarHBondContact O-CB 3.14Å
162C78.4Confident76.5Confident3 Ų376.5 Ų76.52%0.0240%0.399CS..EExtended strand (participates in β ladder)trans-86.8140.8171.3-60.20000110Y152 N154 L179Y152-C162 HydrophobicContact CD1-CB 4.26Å; Y152-C162 VanDerWaalsContact CD1-O 3.27Å; Y152-C162 WeakPolarHBondContact CD1-O 3.33Å; Y152-C162 HydrophobicContact CE1-CB 3.59Å; Y152-C162 HydrophobicContact CE2-CB 3.92Å; Y152-C162 PolarHBondContact N-O 3.07Å; Y152-C162 PolarHBondContact O-N 3.08Å; Y152-C162 VanDerWaalsContact O-O 3.09Å; Y152-C162 WeakPolarHBondContact OH-CB 3.02Å; N154-C162 PolarHBondContact OD1-SG 2.85Å; C162-L179 WeakPolarHBondContact CA-O 3.33Å
163L82.7Confident76.5Confident51 Ų5180.3 Ų80.327%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-108111.4176.8176.468.2000109L149 L151 V165 L179L149-L163 HydrophobicContact CB-CD1 4.43Å; L151-L163 HydrophobicContact CB-CD1 4.15Å; L151-L163 HydrophobicContact CD1-CB 4.05Å; L151-L163 HydrophobicContact CD1-CD1 4.27Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.13Å; L163-L179 HydrophobicContact CB-CB 4.27Å; L163-L179 PolarHBondContact N-O 3Å; L163-L179 PolarHBondContact O-N 3.33Å
164N85.7Confident76.6Confident38 Ų3878.8 Ų78.820%0.20341%0.414CS..EExtended strand (participates in β ladder)trans-84.8124.4170.8-167.4-75.9000109.7L149 D150 Y152L149-N164 CarbonylContact C-O 3.53Å; L149-N164 WeakPolarHBondContact CA-O 3.27Å; D150-N164 HydrophobicContact CB-CB 4.22Å; D150-N164 PolarHBondContact N-O 2.93Å; D150-N164 PolarHBondContact O-N 3.37Å; Y152-N164 HydrophobicContact CD1-CB 4.47Å; Y152-N164 HydrophobicContact CE1-CB 4.08Å
165V86.3Confident77.4Confident37 Ų3779.4 Ų79.422%0.22442%0.421CS..EExtended strand (participates in β ladder)trans-110.7111.1174.3-179.10000107.7L147 T148 L149 L163 S176 Y177 L179L147-V165 HydrophobicContact CD1-CG1 3.93Å; T148-V165 CarbonylContact O-C 3.58Å; T148-V165 WeakPolarHBondContact O-CA 3.21Å; L149-V165 HydrophobicContact CD2-CB 4.04Å; L149-V165 HydrophobicContact CD2-CG1 3.72Å; L149-V165 HydrophobicContact CD2-CG2 3.6Å; L163-V165 HydrophobicContact CD2-CG2 4.24Å; L163-V165 HydrophobicContact CG-CG2 4.13Å; V165-S176 CarbonylContact O-C 3.57Å; V165-S176 WeakPolarHBondContact O-CA 3.37Å; V165-Y177 PolarHBondContact N-O 3.43Å; V165-Y177 PolarHBondContact O-N 3.5Å; V165-L179 HydrophobicContact CB-CD1 4.34Å; V165-L179 HydrophobicContact CG2-CD1 3.43Å; V165-L179 VanDerWaalsContact CG2-CD1 3.43Å
166K90.3Very high78.4Confident85 Ų8579.2 Ų79.237%0.3743%0.426SS..EExtended strand (participates in β ladder)trans-114.9111.5179.9-176.7176.3-178.6176.70110.4L147 T148 V175L147-K166 CarbonylContact C-O 3.54Å; L147-K166 WeakPolarHBondContact CA-O 3.22Å; T148-K166 PolarHBondContact N-O 3.39Å; T148-K166 PolarHBondContact O-N 2.97Å; K166-V175 CarbonylContact C-O 3.53Å; K166-V175 WeakPolarHBondContact CA-O 3.19Å
167A89.3Confident79.3Confident19 Ų1981 Ų8116%0.15742%0.418CS..EExtended strand (participates in β ladder)trans-102.4127.6173.100000109.5K146 L147 F169 T174 V175K146-A167 CarbonylContact O-C 3.59Å; L147-A167 HydrophobicContact CD1-CB 3.8Å; A167-F169 HydrophobicContact CB-CD2 4.49Å; A167-F169 HydrophobicContact CB-CE2 3.79Å; A167-F169 HydrophobicContact CB-CZ 4.34Å; A167-T174 CarbonylContact O-C 3.53Å; A167-T174 WeakPolarHBondContact O-CA 3.28Å; A167-V175 PolarHBondContact N-O 2.9Å; A167-V175 PolarHBondContact O-N 2.84Å
168T85.9Confident80.2Confident18 Ų1874.3 Ų74.311%0.1139%0.392CS..EExtended strand (participates in β ladder)trans-122.6105.3-178.1-48.70000108.9A145 K146 Y173 T174A145-T168 CarbonylContact C-O 3.51Å; A145-T168 WeakPolarHBondContact CA-O 3.46Å; K146-T168 PolarHBondContact N-O 3.48Å; K146-T168 PolarHBondContact O-N 3.44Å; T168-Y173 CarbonylContact C-O 3.52Å; T168-Y173 WeakPolarHBondContact CA-O 3.39Å; T168-T174 HydrophobicContact CG2-CG2 3.47Å; T168-T174 VanDerWaalsContact CG2-CG2 3.47Å
169F84.3Confident80.8Confident95 Ų9575.9 Ų75.942%0.41740%0.4SS..EExtended strand (participates in β ladder)trans-95.5137.2179.3-63.5-86.4000110.8V144 A145 A167 G171 A172 Y173V144-F169 WeakPolarHBondContact O-CA 3.14Å; A145-F169 HydrophobicContact CB-CD1 3.44Å; A145-F169 VanDerWaalsContact CB-CD1 3.44Å; A145-F169 HydrophobicContact CB-CE1 3.47Å; A145-F169 VanDerWaalsContact CB-CE1 3.47Å; A145-F169 HydrophobicContact CB-CG 4.42Å; A145-F169 HydrophobicContact CB-CZ 4.46Å; A167-F169 HydrophobicContact CB-CD2 4.49Å; A167-F169 HydrophobicContact CB-CE2 3.79Å; A167-F169 HydrophobicContact CB-CZ 4.34Å; F169-G171 PolarHBondContact O-N 3Å; F169-A172 PolarHBondContact O-N 2.81Å; F169-A172 VanDerWaalsContact O-N 3.16Å; F169-Y173 PolarHBondContact N-O 3.44Å; F169-Y173 PolarHBondContact O-N 3.31Å
170Y79.1Confident81.5Confident171 Ų17176.4 Ų76.467%0.67140%0.396SS*.THydrogen-bonded Turntrans51.424.1177.7-60.2-81.8000114.6V144 A172V144-Y170 HydrophobicContact CG1-CD1 4.4Å; V144-Y170 HydrophobicContact CG1-CE1 3.78Å; V144-Y170 HydrophobicContact CG1-CE2 4.38Å; V144-Y170 PolarHBondContact O-N 3.08Å; Y170-A172 PolarHBondContact O-N 3.3Å
171G71.6Confident81.6Confident66 Ų6675.1 Ų75.168%0.6839%0.392SS*.THydrogen-bonded Turntrans64.1-7-175.300000116.3F169F169-G171 PolarHBondContact O-N 3Å
172A75.9Confident81.3Confident72 Ų7280.4 Ų80.460%0.59541%0.41SS*.THydrogen-bonded Turntrans-112.1-27.6-17400000113.3F169 Y170F169-A172 PolarHBondContact O-N 2.81Å; F169-A172 VanDerWaalsContact O-N 3.16Å; Y170-A172 PolarHBondContact O-N 3.3Å
173Y80.8Confident80.7Confident164 Ų16483.3 Ų83.364%0.64343%0.434SS*.EExtended strand (participates in β ladder)trans-110.696.4-174.7-60.6-77.3000110.3T168 F169T168-Y173 CarbonylContact C-O 3.52Å; T168-Y173 WeakPolarHBondContact CA-O 3.39Å; F169-Y173 PolarHBondContact N-O 3.44Å; F169-Y173 PolarHBondContact O-N 3.31Å
174T82.4Confident80.2Confident82 Ų8282.7 Ų82.750%0.50344%0.436SS..EExtended strand (participates in β ladder)trans-98.8121.3176.457.10000110.7A167 T168A167-T174 CarbonylContact O-C 3.53Å; A167-T174 WeakPolarHBondContact O-CA 3.28Å; T168-T174 HydrophobicContact CG2-CG2 3.47Å; T168-T174 VanDerWaalsContact CG2-CG2 3.47Å
175V88.6Confident79.6Confident97 Ų9786.1 Ų86.159%0.58845%0.449SS*.EExtended strand (participates in β ladder)trans-112.8118.6169.1178.60000107.6K166 A167K166-V175 CarbonylContact C-O 3.53Å; K166-V175 WeakPolarHBondContact CA-O 3.19Å; A167-V175 PolarHBondContact N-O 2.9Å; A167-V175 PolarHBondContact O-N 2.84Å
176S88Confident79.1Confident77 Ų7790.6 Ų90.654%0.53847%0.466SS..EExtended strand (participates in β ladder)trans-115.7129.4174.957.10000110.3V165V165-S176 CarbonylContact O-C 3.57Å; V165-S176 WeakPolarHBondContact O-CA 3.37Å
177Y85.9Confident78.6Confident156 Ų15692.2 Ų92.261%0.61248%0.476SS*.EExtended strand (participates in β ladder)trans-125.2130.7177.4-172-106.8000110.4V165 L179V165-Y177 PolarHBondContact N-O 3.43Å; V165-Y177 PolarHBondContact O-N 3.5Å; Y177-L179 HydrophobicContact CD1-CD1 3.7Å; Y177-L179 HydrophobicContact CD1-CG 3.74Å; Y177-L179 HydrophobicContact CE1-CD1 4.16Å; Y177-L179 HydrophobicContact CE1-CD2 4.24Å; Y177-L179 HydrophobicContact CE1-CG 3.67Å
178D83.8Confident78.2Confident54 Ų5496.4 Ų96.429%0.28950%0.495SS..EExtended strand (participates in β ladder)trans-102.6102.7-178.4-170.734.7000110.2Y152 R180Y152-D178 WeakPolarHBondContact CE1-OD1 3.21Å; Y152-D178 PolarHBondContact OH-OD1 3.14Å; Y152-D178 PolarHBondContact OH-OD2 3.18Å; D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 VanDerWaalsContact O-N 3.12Å
179L77.9Confident78.1Confident73 Ų73102.8 Ų102.838%0.38252%0.521SS..EExtended strand (participates in β ladder)trans-77.698.8173.2-71108.8000108.9C162 L163 V165 Y177 C181C162-L179 WeakPolarHBondContact CA-O 3.33Å; L163-L179 HydrophobicContact CB-CB 4.27Å; L163-L179 PolarHBondContact N-O 3Å; L163-L179 PolarHBondContact O-N 3.33Å; V165-L179 HydrophobicContact CB-CD1 4.34Å; V165-L179 HydrophobicContact CG2-CD1 3.43Å; V165-L179 VanDerWaalsContact CG2-CD1 3.43Å; Y177-L179 HydrophobicContact CD1-CD1 3.7Å; Y177-L179 HydrophobicContact CD1-CG 3.74Å; Y177-L179 HydrophobicContact CE1-CD1 4.16Å; Y177-L179 HydrophobicContact CE1-CD2 4.24Å; Y177-L179 HydrophobicContact CE1-CG 3.67Å; L179-C181 PolarHBondContact O-N 3.05Å; L179-C181 PolarHBondContact O-SG 3.49Å; L179-C181 VanDerWaalsContact O-SG 3.39Å
180R75.2Confident78.4Confident186 Ų186101.2 Ų101.270%0.70252%0.516SS*.EExtended strand (participates in β ladder)trans-73.295.4171.5-66.1-171.7-67.4-142.1-1.8109.7D178 Y182D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 VanDerWaalsContact O-N 3.12Å; R180-Y182 HydrophobicContact CB-CD2 3.95Å; R180-Y182 HydrophobicContact CB-CE2 4.3Å; R180-Y182 PolarHBondContact O-N 3.47Å
181C67.5Low79Confident24 Ų2495.4 Ų95.416%0.16250%0.503CS..THydrogen-bonded Turntrans-75.818.7-175.5-59.80000114.9I160 G161 L179 A183 A184I160-C181 HydrophobicContact CB-CB 4.3Å; I160-C181 HydrophobicContact CG2-CB 3.44Å; I160-C181 VanDerWaalsContact CG2-CB 3.44Å; G161-C181 WeakPolarHBondContact O-CB 3.14Å; L179-C181 PolarHBondContact O-N 3.05Å; L179-C181 PolarHBondContact O-SG 3.49Å; L179-C181 VanDerWaalsContact O-SG 3.39Å; C181-A183 PolarHBondContact O-N 3.44Å; C181-A184 HydrophobicContact CB-CB 3.75Å; C181-A184 VanDerWaalsContact O-CB 3.28Å; C181-A184 WeakPolarHBondContact O-CB 3.47Å; C181-A184 PolarHBondContact O-N 2.9Å
182Y67.9Low79.9Confident120 Ų12097.6 Ų97.647%0.47150%0.498SS..THydrogen-bonded Turntrans-54.7-35.8175.9-68.3-73.3000112.3R180R180-Y182 HydrophobicContact CB-CD2 3.95Å; R180-Y182 HydrophobicContact CB-CE2 4.3Å; R180-Y182 PolarHBondContact O-N 3.47Å
183A64.9Low80.7Confident65 Ų65103.6 Ų103.654%0.53751%0.506SS..THydrogen-bonded Turntrans-80-23174.900000113.6C181 K185 K186 M187C181-A183 PolarHBondContact O-N 3.44Å; A183-K185 VanDerWaalsContact C-N 3.27Å; A183-K185 PolarHBondContact O-N 2.87Å; A183-K186 WeakPolarHBondContact O-CB 2.87Å; A183-K186 PolarHBondContact O-N 3.26Å; A183-K186 VanDerWaalsContact O-N 3.08Å; A183-M187 WeakPolarHBondContact O-CG 3.25Å; A183-M187 PolarHBondContact O-N 3.04Å
184A72.7Confident81.4Confident37 Ų37104.5 Ų104.531%0.30651%0.508SS..Hα-helixtrans-63.8-34.1-17600000111.7I160 C181 K186 M187 L188I160-A184 HydrophobicContact CD1-CB 4.27Å; C181-A184 HydrophobicContact CB-CB 3.75Å; C181-A184 VanDerWaalsContact O-CB 3.28Å; C181-A184 WeakPolarHBondContact O-CB 3.47Å; C181-A184 PolarHBondContact O-N 2.9Å; A184-K186 VanDerWaalsContact C-N 3.35Å; A184-K186 PolarHBondContact O-N 3.48Å; A184-M187 PolarHBondContact O-N 3.45Å; A184-L188 WeakPolarHBondContact O-CB 2.87Å; A184-L188 PolarHBondContact O-N 3.38Å
185K73.3Confident82.1Confident111 Ų111104.5 Ų104.548%0.48351%0.508SS..Hα-helixtrans-61.6-42.8173.9-176.1-179-179.7-178.60112F159 I160 A183 K189F159-K185 HydrophobicContact CB-CD 4.09Å; I160-K185 HydrophobicContact CD1-CB 4.43Å; A183-K185 VanDerWaalsContact C-N 3.27Å; A183-K185 PolarHBondContact O-N 2.87Å; K185-K189 VanDerWaalsContact O-CB 3.31Å; K185-K189 WeakPolarHBondContact O-CB 3.14Å; K185-K189 PolarHBondContact O-N 2.89Å
186K76.1Confident82.3Confident131 Ų131104.7 Ų104.757%0.5751%0.505SS*.Hα-helixtrans-67.5-45.1177.2-172-179.6179-177.30110.2A183 A184 L188 K189 E190A183-K186 WeakPolarHBondContact O-CB 2.87Å; A183-K186 PolarHBondContact O-N 3.26Å; A183-K186 VanDerWaalsContact O-N 3.08Å; A184-K186 VanDerWaalsContact C-N 3.35Å; A184-K186 PolarHBondContact O-N 3.48Å; K186-L188 PolarHBondContact O-N 2.83Å; K186-K189 PolarHBondContact O-N 3.26Å; K186-E190 WeakPolarHBondContact CE-OE1 3.21Å; K186-E190 WeakPolarHBondContact CG-OE1 3.31Å; K186-E190 WeakPolarHBondContact O-CB 3.35Å; K186-E190 PolarHBondContact O-N 3.01Å
187M79.1Confident82.6Confident118 Ų118107.3 Ų107.358%0.58151%0.507SS*.Hα-helixtrans-63.2-41.6177.4-62.6-72.683.100112.5A183 A184 E190 A191A183-M187 WeakPolarHBondContact O-CG 3.25Å; A183-M187 PolarHBondContact O-N 3.04Å; A184-M187 PolarHBondContact O-N 3.45Å; M187-E190 PolarHBondContact O-N 3.38Å; M187-A191 VanDerWaalsContact O-CB 3.25Å; M187-A191 WeakPolarHBondContact O-CB 3.37Å; M187-A191 PolarHBondContact O-N 3.3Å
188L82.3Confident83.1Confident107 Ų107102.7 Ų102.756%0.5650%0.497SS*.Hα-helixtrans-65.7-43.9177.8-17963.1000111.9I160 A184 K186 E190 A191 L192I160-L188 HydrophobicContact CD1-CD2 4.39Å; A184-L188 WeakPolarHBondContact O-CB 2.87Å; A184-L188 PolarHBondContact O-N 3.38Å; K186-L188 PolarHBondContact O-N 2.83Å; L188-E190 VanDerWaalsContact C-N 3.32Å; L188-E190 PolarHBondContact O-N 3.5Å; L188-A191 PolarHBondContact O-N 3.29Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 2.9Å
189K83.9Confident83.7Confident152 Ų152106.9 Ų106.966%0.66152%0.517SS*.Hα-helixtrans-63-42.5177.6-176.6-177.8-178.5-175.50111K185 K186 L192 R193K185-K189 VanDerWaalsContact O-CB 3.31Å; K185-K189 WeakPolarHBondContact O-CB 3.14Å; K185-K189 PolarHBondContact O-N 2.89Å; K186-K189 PolarHBondContact O-N 3.26Å; K189-L192 PolarHBondContact O-N 2.95Å; K189-R193 WeakPolarHBondContact O-CB 3.28Å; K189-R193 PolarHBondContact O-N 3.4Å
190E90.2Very high84.4Confident63 Ų63108.7 Ų108.729%0.29452%0.523SS..Hα-helixtrans-69.9-42179.8-8870.3146.200110.6K186 M187 L188 L192 R193 W194K186-E190 WeakPolarHBondContact CE-OE1 3.21Å; K186-E190 WeakPolarHBondContact CG-OE1 3.31Å; K186-E190 WeakPolarHBondContact O-CB 3.35Å; K186-E190 PolarHBondContact O-N 3.01Å; M187-E190 PolarHBondContact O-N 3.38Å; L188-E190 VanDerWaalsContact C-N 3.32Å; L188-E190 PolarHBondContact O-N 3.5Å; E190-L192 PolarHBondContact O-N 2.93Å; E190-R193 WeakPolarHBondContact O-CB 3.42Å; E190-R193 PolarHBondContact O-N 2.95Å; E190-W194 PolarHBondContact O-N 3.47Å
191A91.2Very high85.4Confident49 Ų49101.7 Ų101.741%0.40551%0.505SS..Hα-helixtrans-59.5-46.4173.700000111.7M187 L188 R193 W194 T195M187-A191 VanDerWaalsContact O-CB 3.25Å; M187-A191 WeakPolarHBondContact O-CB 3.37Å; M187-A191 PolarHBondContact O-N 3.3Å; L188-A191 PolarHBondContact O-N 3.29Å; A191-R193 VanDerWaalsContact C-N 3.25Å; A191-R193 PolarHBondContact O-N 2.84Å; A191-W194 PolarHBondContact O-N 2.88Å; A191-W194 VanDerWaalsContact O-N 3.14Å; A191-T195 PolarHBondContact O-N 3.39Å; A191-T195 PolarHBondContact O-OG1 3.44Å; A191-T195 VanDerWaalsContact O-OG1 3.05Å
192L90.1Very high86.8Confident112 Ų112104.2 Ų104.259%0.58652%0.52SS*.Hα-helixtrans-60.6-38.3176.8-160.577.9000111.4L188 K189 E190 T195 I196L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 2.9Å; K189-L192 PolarHBondContact O-N 2.95Å; E190-L192 PolarHBondContact O-N 2.93Å; L192-T195 PolarHBondContact O-N 3.17Å; L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 3.23Å
193R93.8Very high88.1Confident198 Ų19899.8 Ų99.875%0.74751%0.511SS*.Hα-helixtrans-64.2-42.7175.7-164.6177.3-165.4-132.81111.8K189 E190 A191 I196 F197K189-R193 WeakPolarHBondContact O-CB 3.28Å; K189-R193 PolarHBondContact O-N 3.4Å; E190-R193 WeakPolarHBondContact O-CB 3.42Å; E190-R193 PolarHBondContact O-N 2.95Å; A191-R193 VanDerWaalsContact C-N 3.25Å; A191-R193 PolarHBondContact O-N 2.84Å; R193-I196 PolarHBondContact O-N 3.35Å; R193-F197 PolarHBondContact O-N 2.88Å
194W95.3Very high89.5Confident182 Ų182102.8 Ų102.869%0.68951%0.513SS*.Hα-helixtrans-64.5-41.1175-75.3113.8000112.1E190 A191 I196 F197 S198E190-W194 PolarHBondContact O-N 3.47Å; A191-W194 PolarHBondContact O-N 2.88Å; A191-W194 VanDerWaalsContact O-N 3.14Å; W194-I196 PolarHBondContact O-N 3.34Å; W194-F197 PolarHBondContact O-N 3.14Å; W194-S198 PolarHBondContact O-N 3.26Å; W194-S198 PolarHBondContact O-OG 3.02Å
195T95.9Very high90.6Very high82 Ų82106.6 Ų106.650%0.50353%0.528SS..Hα-helixtrans-61.6-43.5176-55.40000111.8A191 L192 F197 S198 M199A191-T195 PolarHBondContact O-N 3.39Å; A191-T195 PolarHBondContact O-OG1 3.44Å; A191-T195 VanDerWaalsContact O-OG1 3.05Å; L192-T195 PolarHBondContact O-N 3.17Å; T195-F197 VanDerWaalsContact C-N 3.35Å; T195-S198 WeakPolarHBondContact CA-OG 3.31Å; T195-S198 PolarHBondContact O-N 2.95Å; T195-S198 PolarHBondContact O-OG 3.29Å; T195-M199 VanDerWaalsContact O-CB 3.28Å; T195-M199 WeakPolarHBondContact O-CB 3.39Å; T195-M199 PolarHBondContact O-N 3.14Å
196I94.4Very high91.7Very high102 Ų102106.5 Ų106.552%0.52353%0.532SS..Hα-helixtrans-62.6-45.5176.6-68.3165.3000110.1L192 R193 W194 M199 Q200L192-I196 VanDerWaalsContact O-CG1 3.31Å; L192-I196 WeakPolarHBondContact O-CG1 3.44Å; L192-I196 PolarHBondContact O-N 3.23Å; R193-I196 PolarHBondContact O-N 3.35Å; W194-I196 PolarHBondContact O-N 3.34Å; I196-M199 PolarHBondContact O-N 3.28Å; I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 PolarHBondContact O-N 3.46Å
197F94.2Very high92.6Very high131 Ų131106.2 Ų106.258%0.57554%0.536SS*.Hα-helixtrans-63.4-43.2179.1-171-97.1000112.2R193 W194 T195 M199 Q200 A201R193-F197 PolarHBondContact O-N 2.88Å; W194-F197 PolarHBondContact O-N 3.14Å; T195-F197 VanDerWaalsContact C-N 3.35Å; F197-M199 VanDerWaalsContact C-N 3.35Å; F197-M199 PolarHBondContact O-N 2.89Å; F197-Q200 PolarHBondContact O-N 3.49Å; F197-A201 WeakPolarHBondContact O-CB 3.3Å; F197-A201 PolarHBondContact O-N 3.41Å
198S95.9Very high93.2Very high60 Ų60102.7 Ų102.742%0.4253%0.53SS..Hα-helixtrans-64.5-40.717662.60000111.5W194 T195 Q200 A201 T202W194-S198 PolarHBondContact O-N 3.26Å; W194-S198 PolarHBondContact O-OG 3.02Å; T195-S198 WeakPolarHBondContact CA-OG 3.31Å; T195-S198 PolarHBondContact O-N 2.95Å; T195-S198 PolarHBondContact O-OG 3.29Å; S198-Q200 VanDerWaalsContact C-N 3.33Å; S198-Q200 PolarHBondContact O-N 3.12Å; S198-A201 PolarHBondContact O-N 2.85Å; S198-T202 WeakPolarHBondContact O-CB 3.33Å; S198-T202 PolarHBondContact O-N 2.97Å; S198-T202 PolarHBondContact O-OG1 2.76Å
199M95.4Very high93.7Very high142 Ų142100 Ų10070%0.752%0.52SS*.Hα-helixtrans-66.2-38.6179.5-155.7173.488.400111.2T195 I196 F197 G203T195-M199 VanDerWaalsContact O-CB 3.28Å; T195-M199 WeakPolarHBondContact O-CB 3.39Å; T195-M199 PolarHBondContact O-N 3.14Å; I196-M199 PolarHBondContact O-N 3.28Å; F197-M199 VanDerWaalsContact C-N 3.35Å; F197-M199 PolarHBondContact O-N 2.89Å; M199-G203 PolarHBondContact O-N 2.83Å
200Q93.2Very high94.2Very high111 Ų11195.4 Ų95.452%0.51951%0.507SS..Hα-helixtrans-66.9-44.1174.6-171.7172.7100111.8I196 F197 S198 G203 H204I196-Q200 WeakPolarHBondContact O-CB 3.43Å; I196-Q200 PolarHBondContact O-N 3.46Å; F197-Q200 PolarHBondContact O-N 3.49Å; S198-Q200 VanDerWaalsContact C-N 3.33Å; S198-Q200 PolarHBondContact O-N 3.12Å; Q200-G203 PolarHBondContact O-N 2.93Å; Q200-H204 PolarHBondContact O-CD2 3.45Å; Q200-H204 PolarHBondContact O-N 3.36Å
201A96.1Very high93.9Very high39 Ų3995.4 Ų95.432%0.32251%0.513SS..Hα-helixtrans-62.3-47.7176.200000111.7F197 S198 G203 H204 I205F197-A201 WeakPolarHBondContact O-CB 3.3Å; F197-A201 PolarHBondContact O-N 3.41Å; S198-A201 PolarHBondContact O-N 2.85Å; A201-G203 VanDerWaalsContact C-N 3.3Å; A201-G203 PolarHBondContact O-N 3.36Å; A201-H204 PolarHBondContact O-N 2.77Å; A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.39Å; A201-I205 PolarHBondContact O-N 3.35Å
202T96.8Very high94Very high77 Ų7799.8 Ų99.847%0.47252%0.52SS..Hα-helixtrans-59.9-41.1174.8-60.50000111.2S198 I205 L206S198-T202 WeakPolarHBondContact O-CB 3.33Å; S198-T202 PolarHBondContact O-N 2.97Å; S198-T202 PolarHBondContact O-OG1 2.76Å; T202-I205 PolarHBondContact O-N 3.33Å; T202-L206 HydrophobicContact CG2-CD1 3.87Å; T202-L206 HydrophobicContact CG2-CG 4.28Å; T202-L206 WeakPolarHBondContact O-CB 3.26Å; T202-L206 VanDerWaalsContact O-CG 3.26Å; T202-L206 WeakPolarHBondContact O-CG 3.27Å; T202-L206 PolarHBondContact O-N 3.02Å
203G95.9Very high94.1Very high27 Ų2798.8 Ų98.828%0.27852%0.515SS..Hα-helixtrans-60-45.9174.900000112.9M199 Q200 A201 L206 L207M199-G203 PolarHBondContact O-N 2.83Å; Q200-G203 PolarHBondContact O-N 2.93Å; A201-G203 VanDerWaalsContact C-N 3.3Å; A201-G203 PolarHBondContact O-N 3.36Å; G203-L206 PolarHBondContact O-N 3.37Å; G203-L207 WeakPolarHBondContact O-CB 3.34Å; G203-L207 WeakPolarHBondContact O-CG 3.42Å; G203-L207 PolarHBondContact O-N 3.45Å
204H93.8Very high93.8Very high127 Ų12795.3 Ų95.359%0.58851%0.507SS*.Hα-helixtrans-64.8-39.3176.3-79.8-67.7000112.8Q200 A201 G208Q200-H204 PolarHBondContact O-CD2 3.45Å; Q200-H204 PolarHBondContact O-N 3.36Å; A201-H204 PolarHBondContact O-N 2.77Å; H204-G208 PolarHBondContact O-N 3.05Å
205I96.1Very high93.5Very high118 Ų11892 Ų9261%0.60550%0.499SS*.Hα-helixtrans-64.8-46.2176.3-67.5164.8000110.3A201 T202 G208 S209A201-I205 VanDerWaalsContact O-CG1 3.3Å; A201-I205 WeakPolarHBondContact O-CG1 3.39Å; A201-I205 PolarHBondContact O-N 3.35Å; T202-I205 PolarHBondContact O-N 3.33Å; I205-G208 PolarHBondContact O-N 3.09Å; I205-S209 VanDerWaalsContact O-CB 3.27Å; I205-S209 WeakPolarHBondContact O-CB 3.39Å; I205-S209 PolarHBondContact O-N 3.29Å; I205-S209 PolarHBondContact O-OG 3.45Å; I205-S209 VanDerWaalsContact O-OG 3.12Å
206L95.7Very high93.2Very high108 Ų10891.8 Ų91.857%0.56550%0.495SS*.Hα-helixtrans-63.6-48.7179.7-72.9173.1000111.6T202 G203 G208 S209 S210T202-L206 HydrophobicContact CG2-CD1 3.87Å; T202-L206 HydrophobicContact CG2-CG 4.28Å; T202-L206 WeakPolarHBondContact O-CB 3.26Å; T202-L206 VanDerWaalsContact O-CG 3.26Å; T202-L206 WeakPolarHBondContact O-CG 3.27Å; T202-L206 PolarHBondContact O-N 3.02Å; G203-L206 PolarHBondContact O-N 3.37Å; L206-G208 PolarHBondContact O-N 2.95Å; L206-S209 WeakPolarHBondContact CA-OG 3.26Å; L206-S209 PolarHBondContact O-N 3.44Å; L206-S209 PolarHBondContact O-OG 3.45Å; L206-S210 WeakPolarHBondContact O-CB 3.45Å; L206-S210 PolarHBondContact O-N 3.46Å
207L94.8Very high93Very high125 Ų12591.6 Ų91.665%0.65449%0.494SS*.Hα-helixtrans-64.2-41.4178.1-70.7172000112.1G203 S210 C211G203-L207 WeakPolarHBondContact O-CB 3.34Å; G203-L207 WeakPolarHBondContact O-CG 3.42Å; G203-L207 PolarHBondContact O-N 3.45Å; L207-S210 PolarHBondContact O-N 2.99Å; L207-C211 WeakPolarHBondContact O-CB 3.42Å; L207-C211 PolarHBondContact O-N 3.49Å
208G92.1Very high92.6Very high45 Ų4589.7 Ų89.746%0.46449%0.487SS..Hα-helixtrans-62.7-44175.400000112.1H204 I205 L206 C211 Y212H204-G208 PolarHBondContact O-N 3.05Å; I205-G208 PolarHBondContact O-N 3.09Å; L206-G208 PolarHBondContact O-N 2.95Å; G208-C211 PolarHBondContact O-N 3.37Å; G208-Y212 WeakPolarHBondContact O-CB 3.48Å; G208-Y212 PolarHBondContact O-N 3.43Å
209S93.6Very high92Very high49 Ų4992.9 Ų92.934%0.34350%0.495SS..Hα-helixtrans-65.5-39.117669.50000112.4I205 L206 Y212 I213I205-S209 VanDerWaalsContact O-CB 3.27Å; I205-S209 WeakPolarHBondContact O-CB 3.39Å; I205-S209 PolarHBondContact O-N 3.29Å; I205-S209 PolarHBondContact O-OG 3.45Å; I205-S209 VanDerWaalsContact O-OG 3.12Å; L206-S209 WeakPolarHBondContact CA-OG 3.26Å; L206-S209 PolarHBondContact O-N 3.44Å; L206-S209 PolarHBondContact O-OG 3.45Å; S209-Y212 PolarHBondContact O-N 3.01Å; S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.46Å; S209-I213 PolarHBondContact O-N 3.1Å
210S93.1Very high91.4Very high57 Ų5792.4 Ų92.440%0.39949%0.491SS..Hα-helixtrans-62.8-47177-170.40000111.1L206 L207 Y212 I213 E214L206-S210 WeakPolarHBondContact O-CB 3.45Å; L206-S210 PolarHBondContact O-N 3.46Å; L207-S210 PolarHBondContact O-N 2.99Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.33Å; S210-I213 PolarHBondContact O-N 2.93Å; S210-E214 WeakPolarHBondContact O-CG 3.43Å; S210-E214 PolarHBondContact O-N 2.95Å
211C85.3Confident90.8Very high62 Ų6291.7 Ų91.742%0.41949%0.488SS..Hα-helixtrans-64.6-37.3178.3-174.30000111.9L207 G208 E214 Q215L207-C211 WeakPolarHBondContact O-CB 3.42Å; L207-C211 PolarHBondContact O-N 3.49Å; G208-C211 PolarHBondContact O-N 3.37Å; C211-E214 PolarHBondContact O-N 3.26Å; C211-Q215 WeakPolarHBondContact O-CG 3.41Å; C211-Q215 PolarHBondContact O-N 3.12Å; C211-Q215 VanDerWaalsContact O-N 3.1Å
212Y92.7Very high89.9Confident141 Ų14196 Ų9655%0.55350%0.496SS*.Hα-helixtrans-64-44.4175.2179.4-109.7000112.2G208 S209 S210 Q215 L216G208-Y212 WeakPolarHBondContact O-CB 3.48Å; G208-Y212 PolarHBondContact O-N 3.43Å; S209-Y212 PolarHBondContact O-N 3.01Å; S210-Y212 VanDerWaalsContact C-N 3.31Å; S210-Y212 PolarHBondContact O-N 3.33Å; Y212-Q215 PolarHBondContact O-N 2.94Å; Y212-L216 HydrophobicContact CD1-CD1 4.03Å; Y212-L216 HydrophobicContact CE1-CD1 3.46Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.46Å; Y212-L216 HydrophobicContact CE1-CG 4.27Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 HydrophobicContact CE2-CG 4.48Å; Y212-L216 PolarHBondContact O-N 3.42Å; Y212-L216 VanDerWaalsContact O-N 3.12Å
213I91.8Very high88.9Confident92 Ų9294.8 Ų94.847%0.47249%0.494SS..Hα-helixtrans-66.6-39.6178.1-66.6164.9000110.9S209 S210 Q215 L216 L217S209-I213 VanDerWaalsContact O-CG1 3.26Å; S209-I213 WeakPolarHBondContact O-CG1 3.46Å; S209-I213 PolarHBondContact O-N 3.1Å; S210-I213 PolarHBondContact O-N 2.93Å; I213-Q215 VanDerWaalsContact C-N 3.33Å; I213-Q215 PolarHBondContact O-N 3.4Å; I213-L216 PolarHBondContact O-N 3.4Å; I213-L217 HydrophobicContact CG2-CD1 3.89Å; I213-L217 HydrophobicContact CG2-CG 4.3Å; I213-L217 WeakPolarHBondContact O-CG 3.38Å; I213-L217 PolarHBondContact O-N 3.41Å
214E88.6Confident88Confident124 Ų124100 Ų10058%0.57951%0.511SS*.Hα-helixtrans-59.1-42.1174.5-77.8176.9174.700112.3S210 C211 L217 E218S210-E214 WeakPolarHBondContact O-CG 3.43Å; S210-E214 PolarHBondContact O-N 2.95Å; C211-E214 PolarHBondContact O-N 3.26Å; E214-L217 PolarHBondContact O-N 3.3Å; E214-E218 WeakPolarHBondContact O-CB 3.33Å; E214-E218 PolarHBondContact O-N 2.95Å
215Q88.3Confident87.1Confident112 Ų11299.5 Ų99.552%0.52351%0.507SS..Hα-helixtrans-63.5-43.1176.4-73.9176-7.100112.1C211 Y212 I213 E218 E219C211-Q215 WeakPolarHBondContact O-CG 3.41Å; C211-Q215 PolarHBondContact O-N 3.12Å; C211-Q215 VanDerWaalsContact O-N 3.1Å; Y212-Q215 PolarHBondContact O-N 2.94Å; I213-Q215 VanDerWaalsContact C-N 3.33Å; I213-Q215 PolarHBondContact O-N 3.4Å; Q215-E218 PolarHBondContact O-N 3.37Å; Q215-E219 WeakPolarHBondContact O-CG 3.34Å; Q215-E219 PolarHBondContact O-N 3.01Å
216L90.3Very high85.9Confident79 Ų79103.1 Ų103.141%0.41451%0.513SS..Hα-helixtrans-62.6-43.6177-72.9177.7000111.9Y212 I213 E219 E220Y212-L216 HydrophobicContact CD1-CD1 4.03Å; Y212-L216 HydrophobicContact CE1-CD1 3.46Å; Y212-L216 VanDerWaalsContact CE1-CD1 3.46Å; Y212-L216 HydrophobicContact CE1-CG 4.27Å; Y212-L216 HydrophobicContact CE2-CD1 4.47Å; Y212-L216 HydrophobicContact CE2-CG 4.48Å; Y212-L216 PolarHBondContact O-N 3.42Å; Y212-L216 VanDerWaalsContact O-N 3.12Å; I213-L216 PolarHBondContact O-N 3.4Å; L216-E219 PolarHBondContact O-N 3.44Å; L216-E220 PolarHBondContact O-N 3.32Å
217L88.6Confident84.5Confident97 Ų97104.1 Ų104.151%0.50852%0.518SS..Hα-helixtrans-65.9-38.3177.9-70.6171.4000111.8I213 E214 E220 E221I213-L217 HydrophobicContact CG2-CD1 3.89Å; I213-L217 HydrophobicContact CG2-CG 4.3Å; I213-L217 WeakPolarHBondContact O-CG 3.38Å; I213-L217 PolarHBondContact O-N 3.41Å; E214-L217 PolarHBondContact O-N 3.3Å; L217-E220 PolarHBondContact O-N 2.98Å; L217-E221 WeakPolarHBondContact O-CB 3.39Å; L217-E221 PolarHBondContact O-N 3.35Å
218E85.9Confident83.2Confident91 Ų91100.7 Ų100.743%0.42551%0.508SS..Hα-helixtrans-70.5-31.8178.1-152.6-170.4-166.100112.2E214 Q215 R222E214-E218 WeakPolarHBondContact O-CB 3.33Å; E214-E218 PolarHBondContact O-N 2.95Å; Q215-E218 PolarHBondContact O-N 3.37Å; E218-R222 VanDerWaalsContact CG-NH1 3.34Å; E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 2.95Å; E218-R222 VanDerWaalsContact O-N 3.12Å; E218-R222 IonicContact OE1-CZ 2.64Å; E218-R222 IonicContact OE1-NH1 2.95Å; E218-R222 IonicContact OE1-NH2 2.73Å; E218-R222 PolarHBondContact OE1-NH2 2.96Å; E218-R222 IonicContact OE2-CZ 3.59Å; E218-R222 VanDerWaalsContact OE2-CZ 3.31Å; E218-R222 IonicContact OE2-NH1 2.71Å; E218-R222 PolarHBondContact OE2-NH1 3.38Å; E218-R222 IonicContact OE2-NH2 3.57Å; E218-R222 PolarHBondContact OE2-NH2 3.12Å
219E84.1Confident81.7Confident128 Ų128103.9 Ų103.960%0.59851%0.514SS*.Hα-helixtrans-68.3-43.8171.1-77.6-172.8169.600112.1Q215 L216 R222 A223Q215-E219 WeakPolarHBondContact O-CG 3.34Å; Q215-E219 PolarHBondContact O-N 3.01Å; L216-E219 PolarHBondContact O-N 3.44Å; E219-R222 PolarHBondContact O-N 2.94Å; E219-A223 WeakPolarHBondContact O-CB 3.21Å; E219-A223 PolarHBondContact O-N 3.47Å
220E82.3Confident80.3Confident131 Ų131103.9 Ų103.961%0.61251%0.513SS*.Hα-helixtrans-62.3-47.4176.7-172171.5-156.500111.4L216 L217 R222 A223 E224L216-E220 PolarHBondContact O-N 3.32Å; L217-E220 PolarHBondContact O-N 2.98Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.1Å; E220-A223 WeakPolarHBondContact O-CB 3.46Å; E220-A223 PolarHBondContact O-N 2.61Å; E220-E224 PolarHBondContact O-N 3.34Å
221E81.9Confident79Confident97 Ų97107.1 Ų107.145%0.45352%0.522SS..Hα-helixtrans-63.2-37.8177.9-170.2-173.6173.800112L217 E224 K225L217-E221 WeakPolarHBondContact O-CB 3.39Å; L217-E221 PolarHBondContact O-N 3.35Å; E221-E224 PolarHBondContact O-N 3.05Å; E221-K225 HydrophobicContact CG-CD 4.37Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 WeakPolarHBondContact O-CG 3.49Å; E221-K225 PolarHBondContact O-N 3.32Å; E221-K225 WeakPolarHBondContact OE1-CE 3.34Å; E221-K225 IonicContact OE1-NZ 3.69Å; E221-K225 PolarHBondContact OE1-NZ 3.18Å
222R76.1Confident78.1Confident128 Ų128108.6 Ų108.648%0.48352%0.522SS..Hα-helixtrans-68.2-38.2174.9-79.1179.4-175.2117.71.5112.2E218 E219 E220 E224 R226E218-R222 VanDerWaalsContact CG-NH1 3.34Å; E218-R222 WeakPolarHBondContact O-CB 3.49Å; E218-R222 WeakPolarHBondContact O-CG 3.46Å; E218-R222 PolarHBondContact O-N 2.95Å; E218-R222 VanDerWaalsContact O-N 3.12Å; E218-R222 IonicContact OE1-CZ 2.64Å; E218-R222 IonicContact OE1-NH1 2.95Å; E218-R222 IonicContact OE1-NH2 2.73Å; E218-R222 PolarHBondContact OE1-NH2 2.96Å; E218-R222 IonicContact OE2-CZ 3.59Å; E218-R222 VanDerWaalsContact OE2-CZ 3.31Å; E218-R222 IonicContact OE2-NH1 2.71Å; E218-R222 PolarHBondContact OE2-NH1 3.38Å; E218-R222 IonicContact OE2-NH2 3.57Å; E218-R222 PolarHBondContact OE2-NH2 3.12Å; E219-R222 PolarHBondContact O-N 2.94Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.1Å; R222-E224 VanDerWaalsContact C-N 3.34Å; R222-R226 WeakPolarHBondContact O-CB 3.29Å; R222-R226 VanDerWaalsContact O-CG 3.29Å; R222-R226 WeakPolarHBondContact O-CG 3.37Å; R222-R226 PolarHBondContact O-N 3.39Å
223A76.8Confident76.8Confident52 Ų52104.9 Ų104.943%0.4352%0.517SS..Hα-helixtrans-64.4-42.2175.300000110.8E219 E220 R226 L227E219-A223 WeakPolarHBondContact O-CB 3.21Å; E219-A223 PolarHBondContact O-N 3.47Å; E220-A223 WeakPolarHBondContact O-CB 3.46Å; E220-A223 PolarHBondContact O-N 2.61Å; A223-R226 PolarHBondContact O-N 2.95Å; A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 3.03Å; A223-L227 VanDerWaalsContact O-N 3.1Å
224E76.2Confident75.9Confident138 Ų138108.7 Ų108.765%0.64553%0.526SS*.Hα-helixtrans-66.6-45.3178.5-161.4175.4-167.900112.2E220 E221 R222 R226 L227 A228E220-E224 PolarHBondContact O-N 3.34Å; E221-E224 PolarHBondContact O-N 3.05Å; R222-E224 VanDerWaalsContact C-N 3.34Å; E224-R226 VanDerWaalsContact C-N 3.29Å; E224-R226 PolarHBondContact O-N 2.78Å; E224-L227 PolarHBondContact O-N 2.71Å; E224-A228 PolarHBondContact O-N 3.04Å
225K74.2Confident75.3Confident115 Ų115106.4 Ų106.450%0.552%0.516SS..Hα-helixtrans-60.5-36.6173.6-74.7174.2-175.9168.10112.7E221 L227 A228 L229E221-K225 HydrophobicContact CG-CD 4.37Å; E221-K225 WeakPolarHBondContact O-CB 3.39Å; E221-K225 WeakPolarHBondContact O-CG 3.49Å; E221-K225 PolarHBondContact O-N 3.32Å; E221-K225 WeakPolarHBondContact OE1-CE 3.34Å; E221-K225 IonicContact OE1-NZ 3.69Å; E221-K225 PolarHBondContact OE1-NZ 3.18Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 PolarHBondContact O-N 3.48Å; K225-A228 PolarHBondContact O-N 3.11Å; K225-L229 PolarHBondContact O-N 3.46Å; K225-L229 VanDerWaalsContact O-N 3.11Å
226R70.7Confident74.5Confident194 Ų194108.4 Ų108.473%0.73252%0.519SS*.Hα-helixtrans-70.4-20.8174.7-80.1-179179.6-122.23.3113.5R222 A223 E224 P230R222-R226 WeakPolarHBondContact O-CB 3.29Å; R222-R226 VanDerWaalsContact O-CG 3.29Å; R222-R226 WeakPolarHBondContact O-CG 3.37Å; R222-R226 PolarHBondContact O-N 3.39Å; A223-R226 PolarHBondContact O-N 2.95Å; E224-R226 VanDerWaalsContact C-N 3.29Å; E224-R226 PolarHBondContact O-N 2.78Å; R226-P230 WeakPolarHBondContact O-CD 3.4Å; R226-P230 WeakPolarHBondContact O-CG 3.48Å
227L66.6Low73.7Confident129 Ų129110.5 Ų110.568%0.67553%0.527SS*.Hα-helixtrans-88.6-31.6173.7-69.7170.4000111.8A223 E224 K225 P230A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 3.03Å; A223-L227 VanDerWaalsContact O-N 3.1Å; E224-L227 PolarHBondContact O-N 2.71Å; K225-L227 VanDerWaalsContact C-N 3.29Å; K225-L227 PolarHBondContact O-N 3.48Å; L227-P230 WeakPolarHBondContact O-CD 3.3Å
228A67.6Low73.1Confident53 Ų53110.7 Ų110.744%0.43853%0.528SS..Hα-helixtrans-68.9-41.6174.600000113.3E224 K225 Q231 E232E224-A228 PolarHBondContact O-N 3.04Å; K225-A228 PolarHBondContact O-N 3.11Å; A228-Q231 WeakPolarHBondContact O-CB 3.31Å; A228-Q231 PolarHBondContact O-N 3.11Å; A228-Q231 VanDerWaalsContact O-N 3.16Å; A228-E232 PolarHBondContact O-N 2.94Å
229L61.3Low72.5Confident112 Ų112111.7 Ų111.759%0.58653%0.532SS*.Hα-helixtrans-60.4-43.3179.3-84.7167.7000114.8K225 Q231 E232 S233K225-L229 PolarHBondContact O-N 3.46Å; K225-L229 VanDerWaalsContact O-N 3.11Å; L229-Q231 VanDerWaalsContact C-N 3.28Å; L229-Q231 PolarHBondContact O-N 3.23Å; L229-E232 PolarHBondContact O-N 3.36Å; L229-S233 WeakPolarHBondContact O-CB 3.47Å; L229-S233 PolarHBondContact O-N 2.81Å; L229-S233 PolarHBondContact O-OG 3.36Å
230P64.3Low72Confident50 Ų50109 Ų10933%0.32553%0.528SS..Hα-helixtrans-63-31.2172.3-25.732.9000113.7R226 L227 S233 R234R226-P230 WeakPolarHBondContact O-CD 3.4Å; R226-P230 WeakPolarHBondContact O-CG 3.48Å; L227-P230 WeakPolarHBondContact O-CD 3.3Å; P230-S233 VanDerWaalsContact CA-OG 3.31Å; P230-S233 WeakPolarHBondContact CA-OG 2.78Å; P230-S233 PolarHBondContact O-OG 3.44Å; P230-S233 VanDerWaalsContact O-OG 3.11Å; P230-R234 WeakPolarHBondContact O-CB 3.41Å; P230-R234 VanDerWaalsContact O-CG 3.3Å; P230-R234 WeakPolarHBondContact O-CG 3.01Å; P230-R234 PolarHBondContact O-N 3.16Å
231Q64.5Low71.5Confident125 Ų125107.5 Ų107.558%0.58452%0.522SS*.Hα-helixtrans-74.6-44.7177.6-170.1-176.4-16.900110.4A228 L229 R234 I235A228-Q231 WeakPolarHBondContact O-CB 3.31Å; A228-Q231 PolarHBondContact O-N 3.11Å; A228-Q231 VanDerWaalsContact O-N 3.16Å; L229-Q231 VanDerWaalsContact C-N 3.28Å; L229-Q231 PolarHBondContact O-N 3.23Å; Q231-R234 PolarHBondContact O-N 2.96Å; Q231-I235 HydrophobicContact CG-CD1 3.96Å; Q231-I235 WeakPolarHBondContact O-CD1 3.21Å; Q231-I235 WeakPolarHBondContact O-CG1 3.38Å; Q231-I235 PolarHBondContact O-N 3.47Å
232E66.9Low71Confident92 Ų92108.8 Ų108.843%0.4353%0.532SS..Hα-helixtrans-66.8-40.4-179.9-154.8-173.1161.600112.2A228 L229 I235 R236A228-E232 PolarHBondContact O-N 2.94Å; L229-E232 PolarHBondContact O-N 3.36Å; E232-I235 PolarHBondContact O-N 3.46Å; E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 3.32Å; E232-R236 IonicContact OE1-CZ 3.31Å; E232-R236 IonicContact OE1-NE 2.61Å; E232-R236 IonicContact OE1-NH2 3.05Å; E232-R236 PolarHBondContact OE1-NH2 2.97Å
233S66.4Low70.5Confident64 Ų64109.1 Ų109.145%0.44854%0.542SS..Hα-helixtrans-64-42174.2520000112.5L229 P230 R236 Q237L229-S233 WeakPolarHBondContact O-CB 3.47Å; L229-S233 PolarHBondContact O-N 2.81Å; L229-S233 PolarHBondContact O-OG 3.36Å; P230-S233 VanDerWaalsContact CA-OG 3.31Å; P230-S233 WeakPolarHBondContact CA-OG 2.78Å; P230-S233 PolarHBondContact O-OG 3.44Å; P230-S233 VanDerWaalsContact O-OG 3.11Å; S233-R236 PolarHBondContact O-N 3.01Å; S233-Q237 WeakPolarHBondContact O-CB 3.41Å; S233-Q237 PolarHBondContact O-N 3.43Å
234R71.8Confident69.7Low172 Ų172108.9 Ų108.965%0.64955%0.545SS*.Hα-helixtrans-62.7-41.9172.8-80.9-173.4-127.3-176.20.1112.3P230 Q231 Q237 L238P230-R234 WeakPolarHBondContact O-CB 3.41Å; P230-R234 VanDerWaalsContact O-CG 3.3Å; P230-R234 WeakPolarHBondContact O-CG 3.01Å; P230-R234 PolarHBondContact O-N 3.16Å; Q231-R234 PolarHBondContact O-N 2.96Å; R234-Q237 PolarHBondContact O-N 2.93Å; R234-L238 WeakPolarHBondContact O-CG 3.34Å; R234-L238 PolarHBondContact O-N 2.95Å
235I75.9Confident68.7Low75 Ų75110.3 Ų110.339%0.38555%0.549SS..Hα-helixtrans-63.1-45.9177.8-69.8164.7000110.6Q231 E232 Q237 L238 Q239Q231-I235 HydrophobicContact CG-CD1 3.96Å; Q231-I235 WeakPolarHBondContact O-CD1 3.21Å; Q231-I235 WeakPolarHBondContact O-CG1 3.38Å; Q231-I235 PolarHBondContact O-N 3.47Å; E232-I235 PolarHBondContact O-N 3.46Å; I235-Q237 PolarHBondContact O-N 2.71Å; I235-L238 PolarHBondContact O-N 2.94Å; I235-Q239 WeakPolarHBondContact O-CG 3.37Å; I235-Q239 PolarHBondContact O-N 3.33Å
236R72.2Confident67.7Low155 Ų155109.8 Ų109.859%0.58556%0.56SS**Hα-helixtrans-62.9-39.8176.3-71.3-178.6-163.3-130.68112.4E232 S233 Q239 S240E232-R236 WeakPolarHBondContact O-CG 3.38Å; E232-R236 PolarHBondContact O-N 3.32Å; E232-R236 IonicContact OE1-CZ 3.31Å; E232-R236 IonicContact OE1-NE 2.61Å; E232-R236 IonicContact OE1-NH2 3.05Å; E232-R236 PolarHBondContact OE1-NH2 2.97Å; S233-R236 PolarHBondContact O-N 3.01Å; R236-Q239 PolarHBondContact O-N 3Å; R236-S240 PolarHBondContact O-N 3.1Å
237Q73.6Confident66.8Low123 Ų123105.1 Ų105.158%0.57556%0.557SS**Hα-helixtrans-64.9-42.2177.2-167.9176-4.500111.5S233 R234 I235 S240 M241S233-Q237 WeakPolarHBondContact O-CB 3.41Å; S233-Q237 PolarHBondContact O-N 3.43Å; R234-Q237 PolarHBondContact O-N 2.93Å; I235-Q237 PolarHBondContact O-N 2.71Å; Q237-S240 PolarHBondContact O-N 3.46Å; Q237-S240 PolarHBondContact O-OG 2.7Å; Q237-M241 PolarHBondContact O-N 3.33Å; Q237-M241 VanDerWaalsContact O-N 3.1Å
238L74.9Confident66.1Low101 Ų101108.8 Ų108.853%0.52956%0.563SS.*Hα-helixtrans-63.9-41.8174-71.7169.4000112.2R234 I235 S240 M241 L242R234-L238 WeakPolarHBondContact O-CG 3.34Å; R234-L238 PolarHBondContact O-N 2.95Å; I235-L238 PolarHBondContact O-N 2.94Å; L238-S240 PolarHBondContact O-N 3.28Å; L238-M241 HydrophobicContact CD2-CE 3.72Å; L238-M241 PolarHBondContact O-N 2.92Å; L238-L242 PolarHBondContact O-N 3.35Å
239Q75.2Confident65Low111 Ų111116.2 Ų116.252%0.51961%0.61SS.*Hα-helixtrans-61.6-41174.4-75.1176.3-23.100112.2I235 R236 M241 L242 L243I235-Q239 WeakPolarHBondContact O-CG 3.37Å; I235-Q239 PolarHBondContact O-N 3.33Å; R236-Q239 PolarHBondContact O-N 3Å; Q239-M241 VanDerWaalsContact C-N 3.34Å; Q239-M241 PolarHBondContact O-N 3.49Å; Q239-L242 PolarHBondContact O-N 2.95Å; Q239-L243 WeakPolarHBondContact O-CD1 3.39Å; Q239-L243 PolarHBondContact O-N 2.93Å
240S73Confident65.1Low72 Ų72116.5 Ų116.550%0.50361%0.611SS.*Hα-helixtrans-65.3-35.1176.168.20000113.2R236 Q237 L238 G244R236-S240 PolarHBondContact O-N 3.1Å; Q237-S240 PolarHBondContact O-N 3.46Å; Q237-S240 PolarHBondContact O-OG 2.7Å; L238-S240 PolarHBondContact O-N 3.28Å; S240-G244 PolarHBondContact O-N 3.31Å
241M72.3Confident65.2Low99 Ų99119.9 Ų119.949%0.48863%0.626SS.*Hα-helixtrans-72.8-32.5176-73.3-166.8-6300112.5Q237 L238 Q239 K245Q237-M241 PolarHBondContact O-N 3.33Å; Q237-M241 VanDerWaalsContact O-N 3.1Å; L238-M241 HydrophobicContact CD2-CE 3.72Å; L238-M241 PolarHBondContact O-N 2.92Å; Q239-M241 VanDerWaalsContact C-N 3.34Å; Q239-M241 PolarHBondContact O-N 3.49Å; M241-K245 WeakPolarHBondContact O-CG 3.49Å; M241-K245 PolarHBondContact O-N 3.38Å
242L69.8Low65.2Low125 Ų125119.7 Ų119.765%0.65463%0.628SS**Hα-helixtrans-72.5-42.4174.9-78.7161.8000111.7L238 Q239 K245L238-L242 PolarHBondContact O-N 3.35Å; Q239-L242 PolarHBondContact O-N 2.95Å; L242-K245 PolarHBondContact O-N 3.27Å
243L65.4Low65.1Low135 Ų135121.3 Ų121.371%0.70764%0.64SS**Hα-helixtrans-68.2-38.6175-97.376.7000112.5Q239 K245 S246Q239-L243 WeakPolarHBondContact O-CD1 3.39Å; Q239-L243 PolarHBondContact O-N 2.93Å; L243-K245 PolarHBondContact O-N 3.41Å; L243-S246 PolarHBondContact O-N 3.28Å
244G60.2Low65Low47 Ų47124.9 Ų124.949%0.48565%0.652SS.*Hα-helixtrans-68.7-15.6177.300000114.6S240S240-G244 PolarHBondContact O-N 3.31Å
245K56.2Low64.6Low168 Ų168121.7 Ų121.773%0.7365%0.652SS**THydrogen-bonded Turntrans-89.2-6.9176-83.5178.71721790114.1M241 L242 L243M241-K245 WeakPolarHBondContact O-CG 3.49Å; M241-K245 PolarHBondContact O-N 3.38Å; L242-K245 PolarHBondContact O-N 3.27Å; L243-K245 PolarHBondContact O-N 3.41Å
246S52.9Low63.8Low104 Ų104125.1 Ų125.173%0.72767%0.671SS**THydrogen-bonded Turntrans-91.914-178.7-166.20000114.5L243L243-S246 PolarHBondContact O-N 3.28Å
247S52.6Low63.1Low96 Ų96122.8 Ų122.867%0.67168%0.678SS**THydrogen-bonded Turntrans-116.819.3-179-67.50000115.1
248Y51.6Low62.3Low205 Ų205122.8 Ų122.880%0.80469%0.686SS**  trans-13376.9170.4-52.2-79.1000110.5
249C43Very low61.1Low210 Ų210124.7 Ų124.7100%1.41970%0.701SS**  trans-148.20150.3-85.90000106.7

Retrieved 249 of 249 residues in 118.2 ms (Link to these results)