A0A2K6Q5A5_RHIRO Loading...

Myozenin 3

AlphaFold DB , UniProt , Accession A0A2K6Q5A5, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene MYOZ3, Length 251 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
1M44Very low49Very low238 Ų238163.7 Ų163.7100%1.17286%0.857SS**  0116.10-79.3168.356.900107.8
2I45.6Very low48.5Very low169 Ų169157.5 Ų157.587%0.86785%0.847SS**PPolyproline II helixtrans-87.3127.4-172.8-60.7162.2000109.3
3P55.7Low48.2Very low117 Ų117152.8 Ų152.876%0.7684%0.844SS**PPolyproline II helixtrans-83.9141.8162.2-7.125.9000111
4K49.7Very low47.9Very low200 Ų200153.7 Ų153.787%0.8784%0.841SS**PPolyproline II helixtrans-64.9130.3-167.8-63.6-109.1-178174.10113.4
5E53.9Low47.6Very low184 Ų184146.8 Ų146.886%0.8682%0.82SS**PPolyproline II helixtrans-74.9125.7162.8-66.6-141.5146.800110.7
6Q54.9Low47.3Very low197 Ų197146.8 Ų146.892%0.92182%0.818SS**PPolyproline II helixtrans-84.8117.1164-66.3-178.127.900107.8
7K52.6Low47.3Very low200 Ų200149.8 Ų149.887%0.8782%0.82SS**  trans-112.9117.3171.4-152.5171.1-174176.80107.7
8G46.2Very low47.5Very low58 Ų58148.2 Ų148.260%0.59882%0.816SS**  trans-63.8171.9-171.200000114.7V10G8-V10 PolarHBondContact O-N 3.15Å
9P48.4Very low48.2Very low125 Ų125148.8 Ų148.881%0.81281%0.813SS**  trans-69.1123.1-176.127.7-31.8000110.7M11P9-M11 PolarHBondContact O-N 2.95Å
10V43.7Very low48.8Very low141 Ų141147.3 Ų147.386%0.85581%0.81SS**  trans-70.9111.9170.61750000107.5G8 A12G8-V10 PolarHBondContact O-N 3.15Å; V10-A12 PolarHBondContact O-N 3.32Å; V10-A12 VanDerWaalsContact O-N 3.15Å
11M44.6Very low49.6Very low172 Ų172145.7 Ų145.785%0.84781%0.805SS**  trans-61.9113.6174.8-67.7-73.4-8300109.2P9 A13P9-M11 PolarHBondContact O-N 2.95Å; M11-A13 PolarHBondContact O-N 3.02Å
12A42.3Very low50.6Low89 Ų89139.7 Ų139.774%0.73678%0.784SS**  trans-69.195.5166.300000108.2V10 M14V10-A12 PolarHBondContact O-N 3.32Å; V10-A12 VanDerWaalsContact O-N 3.15Å; A12-M14 PolarHBondContact O-N 3.28Å
13A44.8Very low51.7Low97 Ų97137.9 Ų137.980%0.80278%0.78SS**  trans-67.891.1162.100000107.3M11 G15M11-A13 PolarHBondContact O-N 3.02Å; A13-G15 VanDerWaalsContact C-N 3.26Å; A13-G15 PolarHBondContact O-N 2.98Å
14M44.5Very low52.6Low165 Ų165139 Ų13981%0.81378%0.779SS**  trans-5996163.4-70.9-82.8-158.800106.5A12 N16A12-M14 PolarHBondContact O-N 3.28Å; M14-N16 PolarHBondContact O-N 2.83Å
15G43Very low53.6Low50 Ų50136.6 Ų136.652%0.51578%0.776SS.*  trans-58111.9166.400000107.1A13 F17A13-G15 VanDerWaalsContact C-N 3.26Å; A13-G15 PolarHBondContact O-N 2.98Å; G15-F17 WeakPolarHBondContact O-CD2 3.33Å; G15-F17 PolarHBondContact O-N 3.06Å
16N42.8Very low54.6Low147 Ų147134.3 Ų134.379%0.78677%0.769SS**  trans-6591.1165.7-66.4-41.9000106.4M14 T18M14-N16 PolarHBondContact O-N 2.83Å; N16-T18 PolarHBondContact O-N 2.96Å
17F47.8Very low55.4Low197 Ų197127 Ų12786%0.86475%0.746SS**  trans-71.166.9162.7-66.1-80.6000107.7G15 E19G15-F17 WeakPolarHBondContact O-CD2 3.33Å; G15-F17 PolarHBondContact O-N 3.06Å; F17-E19 PolarHBondContact O-N 2.87Å
18T51Low56.5Low122 Ų122127.4 Ų127.475%0.74875%0.748SS**  trans-72.587.3157.6-56.40000104.6N16N16-T18 PolarHBondContact O-N 2.96Å
19E59.9Low57.7Low160 Ų160133.3 Ų133.375%0.74876%0.757SS**  trans-50.9128.4167.2-77.8-151.8152.400108.2F17 V21F17-E19 PolarHBondContact O-N 2.87Å; E19-V21 PolarHBondContact O-N 2.84Å
20P61.1Low58.3Low118 Ų118135.3 Ų135.377%0.76676%0.76SS**  trans-67.4105.9169.427-29000106.4P22P20-P22 WeakPolarHBondContact O-CD 3.5Å; P20-P22 VanDerWaalsContact O-N 3.08Å
21V65.6Low59.3Low114 Ų114132.8 Ų132.869%0.69175%0.749SS**  trans-45122168.8176.20000106.9E19 T23E19-V21 PolarHBondContact O-N 2.84Å; V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.01Å; V21-T23 PolarHBondContact O-OG1 2.72Å
22P65.5Low60.3Low112 Ų112130.6 Ų130.673%0.72775%0.745SS**  trans-62.397.7-179.222.7-30.8000107.6P20 L24P20-P22 WeakPolarHBondContact O-CD 3.5Å; P20-P22 VanDerWaalsContact O-N 3.08Å; P22-L24 VanDerWaalsContact C-N 3.32Å; P22-L24 PolarHBondContact O-N 3.2Å
23T68.3Low61.3Low130 Ų130131.8 Ų131.880%0.79875%0.745SS**  trans-7993.5178.2-58.80000105V21 D25V21-T23 VanDerWaalsContact C-N 3.28Å; V21-T23 PolarHBondContact O-N 3.01Å; V21-T23 PolarHBondContact O-OG1 2.72Å; T23-D25 PolarHBondContact O-N 2.98Å; T23-D25 VanDerWaalsContact O-N 3.08Å
24L73.4Confident62.1Low140 Ų140133.4 Ų133.473%0.73374%0.736SS**  trans-59.1112173.1-73.5164.9000107.8P22 L26P22-L24 VanDerWaalsContact C-N 3.32Å; P22-L24 PolarHBondContact O-N 3.2Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 HydrophobicContact CB-CD2 4.23Å; L24-L26 PolarHBondContact O-N 3.08Å
25D70.4Confident63.3Low150 Ų150130.6 Ų130.680%0.80272%0.724SS**  trans-70.695.8169.1-174.56.3000107.8T23 G27T23-D25 PolarHBondContact O-N 2.98Å; T23-D25 VanDerWaalsContact O-N 3.08Å; D25-G27 PolarHBondContact O-N 3.04Å; D25-G27 PolarHBondContact OD1-N 3.12Å
26L76.1Confident64.3Low137 Ų137133.9 Ų133.972%0.71773%0.73SS**  trans-72.511.1-179.9-63176.5000112.8L24L24-L26 VanDerWaalsContact C-N 3.34Å; L24-L26 HydrophobicContact CB-CD2 4.23Å; L24-L26 PolarHBondContact O-N 3.08Å
27G72.1Confident65.3Low43 Ų43133.7 Ų133.744%0.44373%0.726SS.*  trans65.7171.6-175.900000112.1D25 K29D25-G27 PolarHBondContact O-N 3.04Å; D25-G27 PolarHBondContact OD1-N 3.12Å; G27-K29 PolarHBondContact O-N 3.18Å; G27-K29 VanDerWaalsContact O-N 3.12Å
28K74.8Confident66.4Low208 Ų208129.8 Ų129.890%0.90471%0.712SS**  trans-66.8115.5172.9-65.1179.3-177.3177.30107.9L30K28-L30 PolarHBondContact O-N 3.22Å
29K72.4Confident67.6Low183 Ų183128.5 Ų128.580%0.79670%0.697SS**  trans-57.5111.8168.4-63.5-162179.4-164.90107.4G27 S31G27-K29 PolarHBondContact O-N 3.18Å; G27-K29 VanDerWaalsContact O-N 3.12Å; K29-S31 PolarHBondContact O-N 3.41Å; K29-S31 VanDerWaalsContact O-N 3.15Å
30L59.9Low68.4Low166 Ų166125 Ų12587%0.86968%0.681SS**  trans-54.2123.5169.2-64.5175000106.2K28K28-L30 PolarHBondContact O-N 3.22Å
31S64.3Low68.9Low89 Ų89121.9 Ų121.962%0.62266%0.657SS**  trans-50148.2177.746.90000109.3K29K29-S31 PolarHBondContact O-N 3.41Å; K29-S31 VanDerWaalsContact O-N 3.15Å
32V66.4Low69.4Low126 Ų126120.2 Ų120.276%0.76465%0.651SS**SBendtrans-26.4126.6175.6178.90000109.7Q34V32-Q34 PolarHBondContact O-N 3.08Å
33P63.6Low70.1Confident114 Ų114118.8 Ų118.874%0.7464%0.636SS**  trans-43.8107.3-173.1-25.330.8000108.2D35P33-D35 PolarHBondContact O-N 3.08Å
34Q61.8Low70.3Confident130 Ų130123 Ų12361%0.60764%0.638SS**  trans-60.9120.3-178.9-151.7131.416.800103.2V32 L36V32-Q34 PolarHBondContact O-N 3.08Å; Q34-L36 PolarHBondContact O-N 2.77Å
35D68.8Low70.7Confident107 Ų107123.7 Ų123.757%0.57264%0.642SS**  trans-59.391-179.3-83.4-31.3000106.9P33 M37 M38 E39P33-D35 PolarHBondContact O-N 3.08Å; D35-M37 PolarHBondContact O-N 2.97Å; D35-M38 HydrophobicContact CB-CB 4.21Å; D35-M38 HydrophobicContact CB-CG 4.07Å; D35-M38 PolarHBondContact O-N 2.84Å; D35-E39 PolarHBondContact O-N 3.31Å
36L64.1Low71.5Confident119 Ų119119.4 Ų119.462%0.62362%0.619SS**Hα-helixtrans-55.2-31.4-174.8-69.9171.2000108.9Q34 M38 E39 E40Q34-L36 PolarHBondContact O-N 2.77Å; L36-M38 PolarHBondContact O-N 3.06Å; L36-E39 PolarHBondContact O-N 3.48Å; L36-E40 VanDerWaalsContact O-CB 3.22Å; L36-E40 WeakPolarHBondContact O-CB 3.49Å; L36-E40 WeakPolarHBondContact O-CG 3.32Å; L36-E40 PolarHBondContact O-N 3.39Å
37M65.1Low72.1Confident143 Ų143122.6 Ų122.670%0.70462%0.622SS**Hα-helixtrans-58.7-40.1173.3-62.2-176.8-75.200113.5D35 L41D35-M37 PolarHBondContact O-N 2.97Å; M37-L41 WeakPolarHBondContact O-CB 3.37Å; M37-L41 WeakPolarHBondContact O-CD1 3.24Å; M37-L41 WeakPolarHBondContact O-CG 3.38Å; M37-L41 PolarHBondContact O-N 3.1Å; M37-L41 VanDerWaalsContact O-N 3.16Å
38M70.4Confident72.9Confident115 Ų115122.1 Ų122.157%0.56762%0.617SS**Hα-helixtrans-77.6-35.4178.6-68.7-58.4-63.800112.1D35 L36 L41 S42D35-M38 HydrophobicContact CB-CB 4.21Å; D35-M38 HydrophobicContact CB-CG 4.07Å; D35-M38 PolarHBondContact O-N 2.84Å; L36-M38 PolarHBondContact O-N 3.06Å; M38-L41 PolarHBondContact O-N 2.94Å; M38-L41 HydrophobicContact SD-CD1 4.29Å; M38-S42 PolarHBondContact O-N 2.89Å; M38-S42 VanDerWaalsContact O-N 3.09Å
39E75.6Confident73.5Confident94 Ų94112.2 Ų112.244%0.43957%0.574SS.*Hα-helixtrans-65.9-46174-173.8173.3178.100111.3D35 L36 L41 S42 L43D35-E39 PolarHBondContact O-N 3.31Å; L36-E39 PolarHBondContact O-N 3.48Å; E39-L41 VanDerWaalsContact C-N 3.26Å; E39-L41 PolarHBondContact O-N 2.76Å; E39-S42 WeakPolarHBondContact O-CA 3.45Å; E39-S42 WeakPolarHBondContact O-CB 3.46Å; E39-S42 PolarHBondContact O-N 2.7Å; E39-S42 PolarHBondContact O-OG 3.23Å; E39-L43 PolarHBondContact O-N 3.38Å
40E76.3Confident74.4Confident87 Ų87107 Ų10741%0.40756%0.555SS.*Hα-helixtrans-60.7-34.5174.4-73.3-62.9147.100112.5L36 S42 N46L36-E40 VanDerWaalsContact O-CB 3.22Å; L36-E40 WeakPolarHBondContact O-CB 3.49Å; L36-E40 WeakPolarHBondContact O-CG 3.32Å; L36-E40 PolarHBondContact O-N 3.39Å; E40-S42 VanDerWaalsContact C-N 3.29Å; E40-N46 PolarHBondContact OE2-ND2 3.47Å
41L72.4Confident76Confident52 Ų52103.6 Ų103.627%0.27254%0.537SS..Hα-helixtrans-73.8-19.2173.8-73.2175.4000113.3M37 M38 E39 S49 F52M37-L41 WeakPolarHBondContact O-CB 3.37Å; M37-L41 WeakPolarHBondContact O-CD1 3.24Å; M37-L41 WeakPolarHBondContact O-CG 3.38Å; M37-L41 PolarHBondContact O-N 3.1Å; M37-L41 VanDerWaalsContact O-N 3.16Å; M38-L41 PolarHBondContact O-N 2.94Å; M38-L41 HydrophobicContact SD-CD1 4.29Å; E39-L41 VanDerWaalsContact C-N 3.26Å; E39-L41 PolarHBondContact O-N 2.76Å; L41-S49 WeakPolarHBondContact O-CB 3.39Å; L41-F52 HydrophobicContact CD1-CD2 4.44Å; L41-F52 HydrophobicContact CD1-CG 4.43Å; L41-F52 HydrophobicContact CD2-CB 3.65Å; L41-F52 HydrophobicContact CD2-CD1 4.37Å; L41-F52 HydrophobicContact CD2-CG 3.97Å
42S75.4Confident77.3Confident80 Ų80103.2 Ų103.256%0.55952%0.524SS*.Hα-helixtrans-82.4-25.4176.282.40000112.6M38 E39 E40 R44M38-S42 PolarHBondContact O-N 2.89Å; M38-S42 VanDerWaalsContact O-N 3.09Å; E39-S42 WeakPolarHBondContact O-CA 3.45Å; E39-S42 WeakPolarHBondContact O-CB 3.46Å; E39-S42 PolarHBondContact O-N 2.7Å; E39-S42 PolarHBondContact O-OG 3.23Å; E40-S42 VanDerWaalsContact C-N 3.29Å; S42-R44 PolarHBondContact O-N 3.15Å
43L81.3Confident78.4Confident81 Ų81100.1 Ų100.142%0.42450%0.501SS..  trans-65.3119.3179.1-67.1172.9000111.2E39 N45 N46 S49E39-L43 PolarHBondContact O-N 3.38Å; L43-N45 PolarHBondContact O-N 3.02Å; L43-N45 VanDerWaalsContact O-N 3.11Å; L43-N46 HydrophobicContact CB-CB 4.46Å; L43-S49 WeakPolarHBondContact O-CB 3.32Å; L43-S49 PolarHBondContact O-OG 3.37Å
44R72.2Confident79.8Confident220 Ų220100.7 Ų100.783%0.8349%0.492SS*.THydrogen-bonded Turntrans-69.7-7.8-175.2-76.8179.6153.2-166.7-5.2116S42S42-R44 PolarHBondContact O-N 3.15Å
45N81.1Confident81.4Confident154 Ų154102.6 Ų102.682%0.82449%0.494SS*.THydrogen-bonded Turntrans-109.5-9.9-174.3-167.415.9000113.7L43L43-N45 PolarHBondContact O-N 3.02Å; L43-N45 VanDerWaalsContact O-N 3.11Å
46N88.1Confident82.4Confident60 Ų60101.4 Ų101.432%0.32149%0.485SS..  trans-77.2139.7-179.8-170.6-42.3000110.8E40 L43 G48 S49 L50E40-N46 PolarHBondContact OE2-ND2 3.47Å; L43-N46 HydrophobicContact CB-CB 4.46Å; N46-G48 PolarHBondContact O-N 2.8Å; N46-G48 PolarHBondContact OD1-N 3.22Å; N46-S49 PolarHBondContact O-N 3.1Å; N46-S49 PolarHBondContact O-OG 3.3Å; N46-L50 WeakPolarHBondContact O-CG 3.2Å; N46-L50 PolarHBondContact O-N 3.14Å; N46-L50 VanDerWaalsContact O-N 3.15Å
47R87.2Confident83.7Confident203 Ų203103.3 Ų103.377%0.76648%0.483SS*.Hα-helixtrans-58.7-37.5174.7-174.5177.6178.3-176.4-0112L51R47-L51 HydrophobicContact CG-CD1 4.27Å; R47-L51 WeakPolarHBondContact O-CG 3.46Å; R47-L51 PolarHBondContact O-N 3.46Å
48G88.9Confident85.1Confident33 Ų33104.4 Ų104.434%0.3448%0.48SS..Hα-helixtrans-63.7-46.3178.300000112.9N46 L50 L51 F52N46-G48 PolarHBondContact O-N 2.8Å; N46-G48 PolarHBondContact OD1-N 3.22Å; G48-L50 PolarHBondContact O-N 3.45Å; G48-L51 PolarHBondContact O-N 2.86Å; G48-F52 WeakPolarHBondContact O-CB 3.29Å; G48-F52 PolarHBondContact O-N 3.4Å
49S88.9Confident86.2Confident1 Ų1102.5 Ų102.51%0.00747%0.474CS..Hα-helixtrans-64.9-39.2177.564.50000112.3L41 L43 N46 F52 Q53L41-S49 WeakPolarHBondContact O-CB 3.39Å; L43-S49 WeakPolarHBondContact O-CB 3.32Å; L43-S49 PolarHBondContact O-OG 3.37Å; N46-S49 PolarHBondContact O-N 3.1Å; N46-S49 PolarHBondContact O-OG 3.3Å; S49-F52 PolarHBondContact O-N 3.18Å; S49-Q53 WeakPolarHBondContact O-CG 3.1Å; S49-Q53 PolarHBondContact O-N 2.87Å
50L91.5Very high86.8Confident74 Ų74103.1 Ų103.139%0.38748%0.477SS..Hα-helixtrans-64-42.3175.2-69.4173.4000112N46 G48 F52 Q53 K54N46-L50 WeakPolarHBondContact O-CG 3.2Å; N46-L50 PolarHBondContact O-N 3.14Å; N46-L50 VanDerWaalsContact O-N 3.15Å; G48-L50 PolarHBondContact O-N 3.45Å; L50-F52 VanDerWaalsContact C-N 3.35Å; L50-Q53 PolarHBondContact O-N 3.13Å; L50-K54 WeakPolarHBondContact O-CB 3.11Å; L50-K54 WeakPolarHBondContact O-CG 2.89Å; L50-K54 PolarHBondContact O-N 3.06Å
51L93.5Very high87.2Confident94 Ų94105 Ų10549%0.49248%0.484SS..Hα-helixtrans-64.9-40.1175.7-75173000111.7R47 G48 K54 R55R47-L51 HydrophobicContact CG-CD1 4.27Å; R47-L51 WeakPolarHBondContact O-CG 3.46Å; R47-L51 PolarHBondContact O-N 3.46Å; G48-L51 PolarHBondContact O-N 2.86Å; L51-K54 PolarHBondContact O-N 2.91Å; L51-R55 WeakPolarHBondContact O-CB 3.42Å; L51-R55 PolarHBondContact O-N 3.06Å
52F91.3Very high87.5Confident80 Ų80108.7 Ų108.735%0.35150%0.498SS..Hα-helixtrans-62.2-47.9174.7176.5-106.1000111.9L41 G48 S49 L50 K54 R55 Q56L41-F52 HydrophobicContact CD1-CD2 4.44Å; L41-F52 HydrophobicContact CD1-CG 4.43Å; L41-F52 HydrophobicContact CD2-CB 3.65Å; L41-F52 HydrophobicContact CD2-CD1 4.37Å; L41-F52 HydrophobicContact CD2-CG 3.97Å; G48-F52 WeakPolarHBondContact O-CB 3.29Å; G48-F52 PolarHBondContact O-N 3.4Å; S49-F52 PolarHBondContact O-N 3.18Å; L50-F52 VanDerWaalsContact C-N 3.35Å; F52-K54 PolarHBondContact O-N 3.1Å; F52-R55 CarbonylContact O-C 3.57Å; F52-R55 WeakPolarHBondContact O-CA 3.4Å; F52-R55 WeakPolarHBondContact O-CB 3.33Å; F52-R55 PolarHBondContact O-N 3.18Å; F52-Q56 HydrophobicContact CD1-CG 4.39Å; F52-Q56 HydrophobicContact CE1-CG 4.05Å; F52-Q56 HydrophobicContact CE2-CG 4.36Å; F52-Q56 HydrophobicContact CZ-CG 4.04Å; F52-Q56 VanDerWaalsContact CZ-NE2 3.31Å; F52-Q56 WeakPolarHBondContact O-CG 3.31Å; F52-Q56 PolarHBondContact O-N 3.01Å
53Q89.9Confident87.8Confident62 Ų62108.6 Ų108.629%0.2949%0.494SS..Hα-helixtrans-61.7-40.5175.7-71.5176.816.100112.6S49 L50 R55 Q56 R57S49-Q53 WeakPolarHBondContact O-CG 3.1Å; S49-Q53 PolarHBondContact O-N 2.87Å; L50-Q53 PolarHBondContact O-N 3.13Å; Q53-R55 VanDerWaalsContact C-N 3.29Å; Q53-R55 PolarHBondContact O-N 2.74Å; Q53-Q56 PolarHBondContact O-N 2.62Å; Q53-R57 PolarHBondContact O-N 3.21Å
54K93.2Very high87.2Confident125 Ų125111.9 Ų111.954%0.54351%0.506SS..Hα-helixtrans-63-37173.2-75.7178.4179.2-178.50111.4L50 L51 F52 R58L50-K54 WeakPolarHBondContact O-CB 3.11Å; L50-K54 WeakPolarHBondContact O-CG 2.89Å; L50-K54 PolarHBondContact O-N 3.06Å; L51-K54 PolarHBondContact O-N 2.91Å; F52-K54 PolarHBondContact O-N 3.1Å; K54-R58 WeakPolarHBondContact O-CG 3.22Å; K54-R58 PolarHBondContact O-N 2.85Å
55R93.8Very high86.9Confident171 Ų171106.4 Ų106.465%0.64549%0.489SS*.Hα-helixtrans-65.2-46.1173.9-167.1177-166.8169.62.9111.2L51 F52 Q53 R57 R58 V59L51-R55 WeakPolarHBondContact O-CB 3.42Å; L51-R55 PolarHBondContact O-N 3.06Å; F52-R55 CarbonylContact O-C 3.57Å; F52-R55 WeakPolarHBondContact O-CA 3.4Å; F52-R55 WeakPolarHBondContact O-CB 3.33Å; F52-R55 PolarHBondContact O-N 3.18Å; Q53-R55 VanDerWaalsContact C-N 3.29Å; Q53-R55 PolarHBondContact O-N 2.74Å; R55-R57 VanDerWaalsContact C-N 3.35Å; R55-R57 PolarHBondContact O-N 3.04Å; R55-R58 PolarHBondContact O-N 3.47Å; R55-V59 WeakPolarHBondContact O-CG2 3.17Å; R55-V59 PolarHBondContact O-N 3.12Å
56Q91.1Very high86.3Confident82 Ų82102.4 Ų102.438%0.38347%0.468SS..Hα-helixtrans-57.3-46.3175.4-70.3-62.6-18.700111.8F52 Q53 R58 V59 Q60F52-Q56 HydrophobicContact CD1-CG 4.39Å; F52-Q56 HydrophobicContact CE1-CG 4.05Å; F52-Q56 HydrophobicContact CE2-CG 4.36Å; F52-Q56 HydrophobicContact CZ-CG 4.04Å; F52-Q56 VanDerWaalsContact CZ-NE2 3.31Å; F52-Q56 WeakPolarHBondContact O-CG 3.31Å; F52-Q56 PolarHBondContact O-N 3.01Å; Q53-Q56 PolarHBondContact O-N 2.62Å; Q56-R58 PolarHBondContact O-N 3.04Å; Q56-V59 PolarHBondContact O-N 3.39Å; Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 2.78Å
57R91.4Very high85.4Confident158 Ų158101.2 Ų101.260%0.59647%0.466SS*.Hα-helixtrans-61.3-41.7175.9-75.4-170.5-105.7-154.2-5113Q53 R55 K61Q53-R57 PolarHBondContact O-N 3.21Å; R55-R57 VanDerWaalsContact C-N 3.35Å; R55-R57 PolarHBondContact O-N 3.04Å; R57-K61 VanDerWaalsContact O-CB 3.32Å; R57-K61 WeakPolarHBondContact O-CB 3.46Å; R57-K61 PolarHBondContact O-N 2.98Å
58R94.2Very high84.5Confident167 Ų16794.2 Ų94.263%0.6345%0.452SS*.Hα-helixtrans-63.3-41.2175-76.2-175.9-69.2174.1-0.4112K54 R55 Q56 F62K54-R58 WeakPolarHBondContact O-CG 3.22Å; K54-R58 PolarHBondContact O-N 2.85Å; R55-R58 PolarHBondContact O-N 3.47Å; Q56-R58 PolarHBondContact O-N 3.04Å; R58-F62 WeakPolarHBondContact O-CB 3.15Å; R58-F62 PolarHBondContact O-N 2.92Å
59V92.9Very high83.3Confident74 Ų7495.4 Ų95.445%0.44845%0.454SS..Hα-helixtrans-64.1-50.4176.8169.40000110.6R55 Q56 K61 F62 T63R55-V59 WeakPolarHBondContact O-CG2 3.17Å; R55-V59 PolarHBondContact O-N 3.12Å; Q56-V59 PolarHBondContact O-N 3.39Å; V59-K61 VanDerWaalsContact C-N 3.33Å; V59-K61 PolarHBondContact O-N 3.4Å; V59-F62 PolarHBondContact O-N 2.85Å; V59-F62 VanDerWaalsContact O-N 3.17Å; V59-T63 PolarHBondContact O-N 3.34Å; V59-T63 PolarHBondContact O-OG1 3.48Å
60Q88.4Confident82.3Confident108 Ų108100.8 Ų100.851%0.50548%0.479SS..Hα-helixtrans-57.4-46.9177.6-73177-16.300111.4Q56 F62 T63 F64Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 2.78Å; Q60-F62 PolarHBondContact O-N 2.94Å; Q60-T63 PolarHBondContact O-N 2.82Å; Q60-F64 HydrophobicContact CB-CE2 4.32Å; Q60-F64 WeakPolarHBondContact O-CD2 3.49Å; Q60-F64 PolarHBondContact O-N 2.78Å
61K85.1Confident81.1Confident126 Ų126105.7 Ų105.755%0.54849%0.493SS..Hα-helixtrans-57.1-47.9176-176.5174.8178.31780111.6R57 V59 T63 F64 E65R57-K61 VanDerWaalsContact O-CB 3.32Å; R57-K61 WeakPolarHBondContact O-CB 3.46Å; R57-K61 PolarHBondContact O-N 2.98Å; V59-K61 VanDerWaalsContact C-N 3.33Å; V59-K61 PolarHBondContact O-N 3.4Å; K61-T63 PolarHBondContact O-N 2.96Å; K61-F64 PolarHBondContact O-N 3.41Å; K61-E65 VanDerWaalsContact CE-CD 3.43Å; K61-E65 WeakPolarHBondContact CE-OE1 3.34Å; K61-E65 HydrophobicContact CG-CG 4.29Å; K61-E65 IonicContact NZ-OE1 3.66Å; K61-E65 WeakPolarHBondContact O-CB 3.21Å; K61-E65 WeakPolarHBondContact O-CG 3.13Å; K61-E65 PolarHBondContact O-N 3.16Å
62F78.6Confident79.9Confident129 Ų129104.2 Ų104.257%0.56649%0.494SS*.Hα-helixtrans-61.3-42.9177.5-180-98.8000112.1R58 V59 Q60 F64 E65 L66R58-F62 WeakPolarHBondContact O-CB 3.15Å; R58-F62 PolarHBondContact O-N 2.92Å; V59-F62 PolarHBondContact O-N 2.85Å; V59-F62 VanDerWaalsContact O-N 3.17Å; Q60-F62 PolarHBondContact O-N 2.94Å; F62-F64 PolarHBondContact O-N 2.91Å; F62-E65 PolarHBondContact O-N 3.31Å; F62-L66 HydrophobicContact CE1-CD2 3.95Å; F62-L66 HydrophobicContact CZ-CD2 4.22Å; F62-L66 WeakPolarHBondContact O-CB 3.37Å; F62-L66 PolarHBondContact O-N 2.83Å
63T80.8Confident78.5Confident79 Ų79107.8 Ų107.849%0.48551%0.514SS..Hα-helixtrans-61.8-43.4178.6-56.40000111.9V59 Q60 K61 A67V59-T63 PolarHBondContact O-N 3.34Å; V59-T63 PolarHBondContact O-OG1 3.48Å; Q60-T63 PolarHBondContact O-N 2.82Å; K61-T63 PolarHBondContact O-N 2.96Å; T63-A67 WeakPolarHBondContact O-CB 3.49Å; T63-A67 PolarHBondContact O-N 3.36Å; T63-A67 VanDerWaalsContact O-N 3.16Å
64F69.4Low77.1Confident150 Ų150111.5 Ų111.566%0.65854%0.535SS*.Hα-helixtrans-73.2-41.4178.9-68.2-62.4000112.9Q60 K61 F62 A67 A68Q60-F64 HydrophobicContact CB-CE2 4.32Å; Q60-F64 WeakPolarHBondContact O-CD2 3.49Å; Q60-F64 PolarHBondContact O-N 2.78Å; K61-F64 PolarHBondContact O-N 3.41Å; F62-F64 PolarHBondContact O-N 2.91Å; F64-A67 PolarHBondContact O-N 3Å; F64-A68 WeakPolarHBondContact O-CB 3.09Å; F64-A68 PolarHBondContact O-N 3.33Å
65E66.4Low75.4Confident104 Ų104108.8 Ų108.849%0.48654%0.536SS..Hα-helixtrans-67.8-35.6176.9-72.4-178.2168.300112K61 F62 A68 S69K61-E65 VanDerWaalsContact CE-CD 3.43Å; K61-E65 WeakPolarHBondContact CE-OE1 3.34Å; K61-E65 HydrophobicContact CG-CG 4.29Å; K61-E65 IonicContact NZ-OE1 3.66Å; K61-E65 WeakPolarHBondContact O-CB 3.21Å; K61-E65 WeakPolarHBondContact O-CG 3.13Å; K61-E65 PolarHBondContact O-N 3.16Å; F62-E65 PolarHBondContact O-N 3.31Å; E65-A68 PolarHBondContact O-N 3.24Å; E65-S69 WeakPolarHBondContact O-CB 3.32Å; E65-S69 PolarHBondContact O-N 3.39Å; E65-S69 PolarHBondContact O-OG 2.61Å
66L68.4Low73.6Confident71 Ų71103.4 Ų103.437%0.37253%0.534SS..Hα-helixtrans-65.4-44174.5-176.567.7000111.4F62 S69 Q70F62-L66 HydrophobicContact CE1-CD2 3.95Å; F62-L66 HydrophobicContact CZ-CD2 4.22Å; F62-L66 WeakPolarHBondContact O-CB 3.37Å; F62-L66 PolarHBondContact O-N 2.83Å; L66-S69 WeakPolarHBondContact CA-OG 3.44Å; L66-S69 PolarHBondContact O-OG 2.93Å; L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.09Å
67A67.8Low71.8Confident35 Ų35104.7 Ų104.729%0.28955%0.552SS.*Hα-helixtrans-67.4-40.1176.900000112.1T63 F64 R71T63-A67 WeakPolarHBondContact O-CB 3.49Å; T63-A67 PolarHBondContact O-N 3.36Å; T63-A67 VanDerWaalsContact O-N 3.16Å; F64-A67 PolarHBondContact O-N 3Å; A67-R71 WeakPolarHBondContact O-CG 3.36Å; A67-R71 PolarHBondContact O-N 2.78Å; A67-R71 VanDerWaalsContact O-N 3.11Å
68A69.8Low70Confident56 Ų56101.6 Ų101.646%0.46356%0.56SS.*Hα-helixtrans-68.1-42.9176.700000112.3F64 E65 R71 A72F64-A68 WeakPolarHBondContact O-CB 3.09Å; F64-A68 PolarHBondContact O-N 3.33Å; E65-A68 PolarHBondContact O-N 3.24Å; A68-R71 PolarHBondContact O-N 3.02Å; A68-A72 WeakPolarHBondContact O-CB 3.35Å; A68-A72 PolarHBondContact O-N 3.05Å
69S63.7Low67.9Low57 Ų57103 Ų10340%0.39957%0.571SS.*Hα-helixtrans-66.6-39.5176.257.80000112.3E65 L66 R71 A72 M73E65-S69 WeakPolarHBondContact O-CB 3.32Å; E65-S69 PolarHBondContact O-N 3.39Å; E65-S69 PolarHBondContact O-OG 2.61Å; L66-S69 WeakPolarHBondContact CA-OG 3.44Å; L66-S69 PolarHBondContact O-OG 2.93Å; S69-R71 VanDerWaalsContact C-N 3.33Å; S69-R71 PolarHBondContact O-N 3.19Å; S69-A72 PolarHBondContact O-N 3.3Å; S69-M73 WeakPolarHBondContact O-CB 3.38Å; S69-M73 WeakPolarHBondContact O-CG 3.41Å; S69-M73 PolarHBondContact O-N 3.09Å
70Q66.8Low65.4Low114 Ų114111.2 Ų111.253%0.53359%0.594SS.*Hα-helixtrans-59.2-43.3171-80.6-179.740.700111.9L66 M73 L74L66-Q70 WeakPolarHBondContact O-CB 3.44Å; L66-Q70 WeakPolarHBondContact O-CG 3.37Å; L66-Q70 PolarHBondContact O-N 3.09Å; Q70-M73 PolarHBondContact O-N 3.06Å; Q70-L74 WeakPolarHBondContact O-CG 3.45Å; Q70-L74 PolarHBondContact O-N 2.99Å; Q70-L74 VanDerWaalsContact O-N 3.11Å
71R67.1Low63.3Low178 Ų178115.5 Ų115.567%0.67261%0.611SS**Hα-helixtrans-65.1-39.7174.9-72.2-179.7-175.1114.8-2.8112.6A67 A68 S69 M73 L74 A75A67-R71 WeakPolarHBondContact O-CG 3.36Å; A67-R71 PolarHBondContact O-N 2.78Å; A67-R71 VanDerWaalsContact O-N 3.11Å; A68-R71 PolarHBondContact O-N 3.02Å; S69-R71 VanDerWaalsContact C-N 3.33Å; S69-R71 PolarHBondContact O-N 3.19Å; R71-M73 VanDerWaalsContact C-N 3.35Å; R71-L74 PolarHBondContact O-N 3.07Å; R71-A75 WeakPolarHBondContact O-CB 3.46Å; R71-A75 PolarHBondContact O-N 3.44Å
72A68.3Low60.7Low63 Ų63115.9 Ų115.952%0.52162%0.623SS.*Hα-helixtrans-65.2-37.7176.500000112.3A68 S69 A75 G76A68-A72 WeakPolarHBondContact O-CB 3.35Å; A68-A72 PolarHBondContact O-N 3.05Å; S69-A72 PolarHBondContact O-N 3.3Å; A72-A75 PolarHBondContact O-N 3.23Å; A72-G76 PolarHBondContact O-N 3.06Å
73M60.7Low58.5Low155 Ų155116.1 Ų116.176%0.76464%0.635SS**Hα-helixtrans-65.4-39.1174.9-70.7-76.1-73.200112S69 Q70 R71S69-M73 WeakPolarHBondContact O-CB 3.38Å; S69-M73 WeakPolarHBondContact O-CG 3.41Å; S69-M73 PolarHBondContact O-N 3.09Å; Q70-M73 PolarHBondContact O-N 3.06Å; R71-M73 VanDerWaalsContact C-N 3.35Å
74L60.8Low56.1Low139 Ų139115.4 Ų115.473%0.72864%0.644SS**Hα-helixtrans-69.7-39.9174.5-69.7170.2000112.3Q70 R71 S77Q70-L74 WeakPolarHBondContact O-CG 3.45Å; Q70-L74 PolarHBondContact O-N 2.99Å; Q70-L74 VanDerWaalsContact O-N 3.11Å; R71-L74 PolarHBondContact O-N 3.07Å; L74-S77 PolarHBondContact O-N 2.73Å
75A58.3Low54.2Low69 Ų69115.3 Ų115.357%0.5766%0.656SS**Hα-helixtrans-71.4-31.1177.800000113.4R71 A72 S77 A78R71-A75 WeakPolarHBondContact O-CB 3.46Å; R71-A75 PolarHBondContact O-N 3.44Å; A72-A75 PolarHBondContact O-N 3.23Å; A75-S77 PolarHBondContact O-N 2.93Å; A75-A78 PolarHBondContact O-N 3.32Å
76G55.3Low52.6Low58 Ų58114 Ų11460%0.59866%0.663SS**THydrogen-bonded Turntrans-66.7-15.2176.500000114.3A72A72-G76 PolarHBondContact O-N 3.06Å
77S53.9Low51.1Low109 Ų109119.2 Ų119.276%0.76269%0.685SS**THydrogen-bonded Turntrans-77.8-16.1176.6-170.60000113.9L74 A75L74-S77 PolarHBondContact O-N 2.73Å; A75-S77 PolarHBondContact O-N 2.93Å
78A53.3Low49.6Very low92 Ų92123.5 Ų123.576%0.7671%0.713SS**SBendtrans-101.8-1.4-174.100000114.5A75A75-A78 PolarHBondContact O-N 3.32Å
79K50.1Low47.6Very low198 Ų198124.3 Ų124.386%0.86173%0.727SS**  trans-125.267.9-172.7-137.3175.6-174.1179.90112.2
80R41Very low46.1Very low246 Ų246127.8 Ų127.893%0.92875%0.746SS**  trans-133.499.4157.4-175.3178.9-81.4157.6-5.3109.1
81K42.9Very low44.5Very low198 Ų198128.7 Ų128.786%0.86176%0.759SS**  trans138.4112.8140-154.7174.4-166.8-163.10110.1
82V32.2Very low42.7Very low133 Ų133125 Ų12581%0.80677%0.767SS**  176.5128.3128155.10000108.1
83T32.2Very low41.3Very low134 Ų134129.7 Ų129.782%0.82278%0.783SS**  trans-38.6149.7171.329.10000118
84G30.4Very low40.1Very low65 Ų65126 Ų12667%0.6778%0.777SS**  trans111.9112131.600000118.4
85T29.2Very low38.8Very low147 Ų147127 Ų12790%0.90278%0.783SS**  67.3136.1126.6-37.30000121.4
86A32.4Very low37.6Very low78 Ų78127.1 Ų127.165%0.64579%0.791SS**  trans89.6108154.800000120.9
87E36.4Very low37.2Very low180 Ų180130.5 Ų130.584%0.84180%0.802SS**  57128.9124.984-163.1153.400125.9
88S36.1Very low36.4Very low125 Ų125134.2 Ų134.287%0.87481%0.808SS**  trans32.1132.5132.6-152.40000122.5
89G29.6Very low36.1Very low73 Ų73132.3 Ų132.375%0.75380%0.798SS**  trans169.384.8161.600000118
90T30.6Very low35.6Very low129 Ų129130 Ų13079%0.79179%0.79SS**  trans8.4125.7142.8-57.60000122.3
91V33.3Very low35.8Very low133 Ų133125.4 Ų125.481%0.80678%0.783SS**  trans55118.2139.6-173.60000120.9
92A29.6Very low35.7Very low102 Ų102125.6 Ų125.684%0.84378%0.78SS**  trans-153117.7132.800000110.2
93N38.3Very low36Very low161 Ų161128.7 Ų128.786%0.86178%0.777SS**  trans-83.2119.9172.3-155.215000107.4
94A36.2Very low36.8Very low78 Ų78127.3 Ų127.365%0.64577%0.773SS**  trans-168.6116.6158.300000111.1
95N33.7Very low37.3Very low159 Ų159129.4 Ų129.485%0.8577%0.766SS**  trans81.591.1152-49-26.4000118
96G33.4Very low38.1Very low71 Ų71129.2 Ų129.273%0.73276%0.758SS**  trans-71.2-178.8149.800000112.4
97P46.8Very low38.6Very low129 Ų129133.2 Ų133.284%0.83876%0.763SS**  -91.2140-111.533.2-33.8000112.4G99P97-G99 PolarHBondContact O-N 3.3Å
98E37.6Very low38.7Very low187 Ų187131.1 Ų131.187%0.87476%0.756SS**  trans-68.796.1169-162.7168-171.400108.8Q100E98-Q100 PolarHBondContact O-N 3.37Å; E98-Q100 VanDerWaalsContact O-N 3.12Å
99G45.8Very low38.6Very low53 Ų53134.8 Ų134.855%0.54676%0.757SS.*  trans-66104.417500000110.3P97 N101P97-G99 PolarHBondContact O-N 3.3Å; G99-N101 VanDerWaalsContact C-N 3.31Å; G99-N101 PolarHBondContact O-N 3.32Å; G99-N101 PolarHBondContact O-ND2 3.48Å; G99-N101 VanDerWaalsContact O-ND2 3.1Å
100Q40.9Very low38.8Very low149 Ų149141.5 Ų141.570%0.69676%0.76SS**  trans-74.494.3165.7-68.2-168.3-3.300108.9E98 Y102E98-Q100 PolarHBondContact O-N 3.37Å; E98-Q100 VanDerWaalsContact O-N 3.12Å; Q100-Y102 PolarHBondContact O-N 2.81Å; Q100-Y102 VanDerWaalsContact O-N 3.14Å
101N43.4Very low38.9Very low149 Ų149140.2 Ų140.280%0.79776%0.762SS**  trans-60.8100.5167.1-74.6-87.1000109.4G99 R103G99-N101 VanDerWaalsContact C-N 3.31Å; G99-N101 PolarHBondContact O-N 3.32Å; G99-N101 PolarHBondContact O-ND2 3.48Å; G99-N101 VanDerWaalsContact O-ND2 3.1Å; N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 2.52Å; N101-R103 VanDerWaalsContact O-N 3.09Å
102Y41.8Very low39Very low203 Ų203137.3 Ų137.380%0.79675%0.748SS**  trans-78.985.6159.5-68.1-77.8000108.3Q100 S104Q100-Y102 PolarHBondContact O-N 2.81Å; Q100-Y102 VanDerWaalsContact O-N 3.14Å; Y102-S104 PolarHBondContact O-N 3Å
103R38.5Very low39.5Very low197 Ų197138.6 Ų138.674%0.74375%0.748SS**  trans-78.2100.7166.9-168.4-161.7-169.5176.38.4108.1N101 E105N101-R103 VanDerWaalsContact C-N 3.27Å; N101-R103 PolarHBondContact O-N 2.52Å; N101-R103 VanDerWaalsContact O-N 3.09Å; R103-E105 HydrophobicContact CG-CG 4.16Å; R103-E105 IonicContact CZ-OE1 3Å; R103-E105 IonicContact NE-OE1 3.37Å; R103-E105 PolarHBondContact NE-OE1 3.49Å; R103-E105 IonicContact NH1-OE1 2.62Å; R103-E105 PolarHBondContact NH1-OE1 3.21Å; R103-E105 IonicContact NH2-OE1 3.73Å; R103-E105 PolarHBondContact O-N 3.11Å
104S48Very low39.1Very low105 Ų105134.7 Ų134.773%0.73475%0.745SS**  trans-80.497.8163.449.50000108.3Y102 L106Y102-S104 PolarHBondContact O-N 3Å; S104-L106 PolarHBondContact O-N 3.35Å
105E41.4Very low38.9Very low109 Ų109135.7 Ų135.751%0.50975%0.754SS.*  trans-68.194.1168.2-70.2-159.5-171.900109.9R103 H107R103-E105 HydrophobicContact CG-CG 4.16Å; R103-E105 IonicContact CZ-OE1 3Å; R103-E105 IonicContact NE-OE1 3.37Å; R103-E105 PolarHBondContact NE-OE1 3.49Å; R103-E105 IonicContact NH1-OE1 2.62Å; R103-E105 PolarHBondContact NH1-OE1 3.21Å; R103-E105 IonicContact NH2-OE1 3.73Å; R103-E105 PolarHBondContact O-N 3.11Å; E105-H107 PolarHBondContact O-N 2.92Å; E105-H107 IonicContact OE2-CE1 3.54Å
106L46.3Very low38.8Very low143 Ų143133.3 Ų133.375%0.74975%0.75SS**  trans-78.4107.7155.6-71.9170.7000106.9S104 I108S104-L106 PolarHBondContact O-N 3.35Å; L106-I108 HydrophobicContact CB-CD1 4.39Å; L106-I108 HydrophobicContact CB-CG1 4.2Å; L106-I108 PolarHBondContact O-N 2.72Å
107H42.3Very low38.8Very low163 Ų163137.9 Ų137.976%0.75576%0.756SS**  trans-62.286.4164.2-79.380.9000108.5E105E105-H107 PolarHBondContact O-N 2.92Å; E105-H107 IonicContact OE2-CE1 3.54Å
108I39.1Very low38.1Very low135 Ų135135.9 Ų135.969%0.69276%0.759SS**  trans-99.7109.6164.3-59.9174.1000104.7L106 R110L106-I108 HydrophobicContact CB-CD1 4.39Å; L106-I108 HydrophobicContact CB-CG1 4.2Å; L106-I108 PolarHBondContact O-N 2.72Å; I108-R110 PolarHBondContact O-N 3.17Å
109F33.9Very low37.8Very low202 Ų202130.7 Ų130.789%0.88676%0.755SS**  trans-53.4108.4166-78.3-84.7000108.2A111F109-A111 PolarHBondContact O-N 2.97Å
110R34Very low37.9Very low214 Ų214134 Ų13481%0.80877%0.767SS**  trans-78.896.8173.1-179.2162.8-173148.6-1.6108.3I108 S112I108-R110 PolarHBondContact O-N 3.17Å; R110-S112 PolarHBondContact NE-OG 3.21Å; R110-S112 PolarHBondContact NH2-OG 2.9Å; R110-S112 PolarHBondContact O-N 3.09Å
111A33.7Very low37.8Very low103 Ų103136.5 Ų136.585%0.85178%0.779SS**  trans-87.292.1155.800000107.5F109F109-A111 PolarHBondContact O-N 2.97Å
112S34.1Very low37.3Very low71 Ų71133 Ų13350%0.49778%0.779SS.*  trans-101.9150.5159.9-74.60000109.4R110R110-S112 PolarHBondContact NE-OG 3.21Å; R110-S112 PolarHBondContact NH2-OG 2.9Å; R110-S112 PolarHBondContact O-N 3.09Å
113P40.9Very low37.1Very low130 Ų130128 Ų12884%0.84478%0.779SS**  trans-96.2140.4-1546.314.8000112.5
114G30.1Very low37.3Very low78 Ų78127.4 Ų127.480%0.80478%0.784SS**  trans113.898.9150.600000116.9
115A30.3Very low36.7Very low100 Ų100128.5 Ų128.583%0.82679%0.792SS**  171.8113.5119.500000112.4
116S32Very low36.3Very low109 Ų109127.9 Ų127.976%0.76281%0.805SS**  trans58.2116.5142.7-149.30000121.5
117L35Very low35.8Very low167 Ų167125.8 Ų125.887%0.87481%0.808SS**  169.6114.392.5-154.476.1000112.8
118G30.1Very low35.8Very low87 Ų87122.7 Ų122.790%0.89781%0.811SS**  trans68.7129.8153.100000120.2
119G32Very low35.9Very low77 Ų77122.2 Ų122.279%0.79482%0.817SS**  cis166.6-173.86.400000107.5
120P48.5Very low36.5Very low122 Ų122117.3 Ų117.379%0.79281%0.814SS**  cis-119.8163.5-19.339-23000115
121E38.1Very low37.2Very low202 Ų202110.5 Ų110.594%0.94481%0.81SS**  trans44.9125.5149.5-63.3-16014200124.3
122G33.1Very low37.7Very low77 Ų77111.4 Ų111.479%0.79481%0.809SS**  trans174.873.9162.600000110.8
123A38.7Very low38.6Very low96 Ų96113.1 Ų113.179%0.79382%0.816SS**  trans-69.7131.3-17300000114.2
124H41.5Very low39.2Very low185 Ų185112.9 Ų112.986%0.85681%0.814SS**  -171.3116.1125.541.2-85.9000111.6
125S36.5Very low40.4Very low128 Ų128111.9 Ų111.990%0.89580%0.795SS**  trans-79.8139.3168.8-66.20000110.9
126A32.5Very low42Very low97 Ų97112.2 Ų112.280%0.80279%0.789SS**  trans-170.1107.8140.400000111.8
127A35.1Very low43.2Very low98 Ų98111.6 Ų111.681%0.8178%0.784SS**  trans42.1115.2145.600000120.6
128A43.2Very low44.4Very low98 Ų98107.5 Ų107.581%0.8178%0.775SS**PPolyproline II helixtrans-62.6145.2151.800000111
129P41.3Very low45.9Very low125 Ų125108.6 Ų108.681%0.81276%0.76SS**PPolyproline II helixtrans-94.9141.4148.732-22000110.2
130A45.7Very low47.1Very low99 Ų99107.9 Ų107.982%0.81875%0.746SS**PPolyproline II helixtrans-61.5152.3-178.500000113.8C132A130-C132 PolarHBondContact O-N 3.18Å
131G48.7Very low47.7Very low71 Ų71108.8 Ų108.873%0.73275%0.752SS**  trans32.388.3146.700000117.2V133G131-V133 VanDerWaalsContact C-N 3.25Å; G131-V133 PolarHBondContact O-N 3.43Å
132C44.7Very low48.8Very low123 Ų123102.8 Ų102.883%0.83174%0.744SS**  trans-71.890.1159.5-166.40000108.1A130 P134A130-C132 PolarHBondContact O-N 3.18Å; C132-P134 WeakPolarHBondContact O-CD 3.36Å
133V53.8Low50.1Low107 Ų107108 Ų10865%0.64874%0.741SS**  trans-63122.8162.3178.60000106.2G131 S135G131-V133 VanDerWaalsContact C-N 3.25Å; G131-V133 PolarHBondContact O-N 3.43Å; V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 3.47Å; V133-S135 PolarHBondContact O-OG 2.88Å
134P52.9Low51.2Low124 Ų124106.3 Ų106.381%0.80573%0.727SS**  trans-65.495.7177.125.1-30.6000108.1C132C132-P134 WeakPolarHBondContact O-CD 3.36Å
135S55.8Low52.6Low58 Ų58103.9 Ų103.941%0.40672%0.716SS.*  trans-93.5131.7177.132.90000107.5V133 S137 A138V133-S135 VanDerWaalsContact C-N 3.3Å; V133-S135 PolarHBondContact O-N 3.47Å; V133-S135 PolarHBondContact O-OG 2.88Å; S135-S137 PolarHBondContact O-N 3.41Å; S135-A138 WeakPolarHBondContact O-CB 3.47Å; S135-A138 PolarHBondContact O-N 3.05Å
136P62Low54.3Low107 Ų107103.2 Ų103.270%0.69571%0.709SS**G310 helixtrans-62.7-12.1-175.425.7-34.5000113.2A138P136-A138 VanDerWaalsContact C-N 3.29Å; P136-A138 PolarHBondContact O-N 3.04Å
137S57.7Low56.1Low95 Ų95105.5 Ų105.566%0.66471%0.707SS**G310 helixtrans-77.2-7.8175.2-32.70000114.2S135 L139S135-S137 PolarHBondContact O-N 3.41Å; S137-L139 VanDerWaalsContact C-N 3.33Å
138A60.9Low57.7Low81 Ų81109.3 Ų109.367%0.66971%0.705SS**G310 helixtrans-87.72.2179.500000113.7S135 P136S135-A138 WeakPolarHBondContact O-CB 3.47Å; S135-A138 PolarHBondContact O-N 3.05Å; P136-A138 VanDerWaalsContact C-N 3.29Å; P136-A138 PolarHBondContact O-N 3.04Å
139L61.3Low59Low111 Ų111108 Ų10858%0.58170%0.702SS**SBendtrans-70.2149167.2-62.8175.6000109.1S137S137-L139 VanDerWaalsContact C-N 3.33Å
140A57.1Low60.5Low61 Ų61106.7 Ų106.750%0.50469%0.691SS.*  trans-42.9139.8-175.800000112.3G142 Y143A140-G142 PolarHBondContact O-N 3.4Å; A140-Y143 HydrophobicContact CB-CD2 4.23Å; A140-Y143 PolarHBondContact O-N 2.95Å; A140-Y143 VanDerWaalsContact O-N 3.1Å
141P60.2Low62Low142 Ų142106.9 Ų106.992%0.92268%0.684SS**THydrogen-bonded Turntrans-49.2112-179.4-25.833000110.6
142G61.3Low63.2Low76 Ų76109.1 Ų109.178%0.78469%0.686SS**THydrogen-bonded Turntrans123.6-12.3-176.500000116.4A140A140-G142 PolarHBondContact O-N 3.4Å
143Y60.2Low64.7Low186 Ų186111.3 Ų111.373%0.72968%0.684SS**SBendtrans-107.82.8-179.6-72.4-87000114.9A140A140-Y143 HydrophobicContact CB-CD2 4.23Å; A140-Y143 PolarHBondContact O-N 2.95Å; A140-Y143 VanDerWaalsContact O-N 3.1Å
144A62.1Low65.4Low60 Ų60115.4 Ų115.450%0.49669%0.693SS.*SBendtrans-84.6-12.8-172.400000114.9
145E72Confident66Low134 Ų134116.4 Ų116.463%0.62669%0.685SS**SBendtrans-110.9126.9-179.8-74.7-158.5124.600111.8L147 K148E145-L147 PolarHBondContact O-N 3.05Å; E145-K148 IonicContact OE1-NZ 2.92Å; E145-K148 PolarHBondContact OE1-NZ 2.78Å
146P72.1Confident66.5Low115 Ų115119.3 Ų119.375%0.74770%0.696SS**  trans-53.4138.3164.7-23.233.2000110.1K148P146-K148 PolarHBondContact O-N 3.15Å
147L69.5Low66.3Low144 Ų144122.6 Ų122.675%0.75470%0.701SS**  trans-56.192.1-178.3-65.4171.6000111E145 G149 V150E145-L147 PolarHBondContact O-N 3.05Å; L147-G149 PolarHBondContact O-N 3.46Å; L147-V150 HydrophobicContact CB-CB 4.46Å; L147-V150 HydrophobicContact CB-CG2 4.09Å; L147-V150 HydrophobicContact CD1-CG2 4.16Å; L147-V150 PolarHBondContact O-N 3.01Å
148K70.1Confident66.2Low178 Ų178124 Ų12477%0.77471%0.706SS**THydrogen-bonded Turntrans-62.6-11.5-177.3-100.4165.2-1791620114.5E145 P146E145-K148 IonicContact OE1-NZ 2.92Å; E145-K148 PolarHBondContact OE1-NZ 2.78Å; P146-K148 PolarHBondContact O-N 3.15Å
149G68.9Low65.9Low72 Ų72123.2 Ų123.274%0.74270%0.7SS**THydrogen-bonded Turntrans-108.7-4.9-17500000115.6L147 P151L147-G149 PolarHBondContact O-N 3.46Å; G149-P151 WeakPolarHBondContact O-CD 3.45Å
150V73.1Confident65.9Low97 Ų97124.3 Ų124.359%0.58871%0.705SS**SBendtrans-95.5112.6177.9-178.40000108L147L147-V150 HydrophobicContact CB-CB 4.46Å; L147-V150 HydrophobicContact CB-CG2 4.09Å; L147-V150 HydrophobicContact CD1-CG2 4.16Å; L147-V150 PolarHBondContact O-N 3.01Å
151P78.3Confident66.1Low102 Ų102126.5 Ų126.566%0.66271%0.714SS**PPolyproline II helixtrans-59.4137.4174.925.1-31.9000108.6G149 E153G149-P151 WeakPolarHBondContact O-CD 3.45Å; P151-E153 PolarHBondContact O-N 2.87Å
152P73.4Confident66.4Low119 Ų119129.6 Ų129.677%0.77371%0.713SS**PPolyproline II helixtrans-56.3128.2177.823.2-32.4000108.8K154P152-K154 PolarHBondContact O-N 3.17Å
153E75.5Confident66.9Low168 Ų168128.8 Ų128.879%0.78570%0.704SS**PPolyproline II helixtrans-54.4116.9176.1-174.2179.2165.700108.4P151 F155P151-E153 PolarHBondContact O-N 2.87Å; E153-F155 PolarHBondContact O-N 3.38Å
154K69.7Low67.5Low194 Ų194129 Ų12984%0.84371%0.706SS**  trans-75.778.1174.4-65.2-175.4-177.8-179.70107.4P152 N156P152-K154 PolarHBondContact O-N 3.17Å; K154-N156 PolarHBondContact O-N 2.86Å; K154-N156 VanDerWaalsContact O-N 3.1Å
155F64.1Low67.7Low145 Ų145134.6 Ų134.664%0.63671%0.714SS**  trans-56.8118.9169.1-157.9-95.9000107.1E153 H157E153-F155 PolarHBondContact O-N 3.38Å; F155-H157 PolarHBondContact O-N 3.34Å
156N66Low67.8Low119 Ų119130.1 Ų130.164%0.63670%0.697SS**  trans-61.4106-179.2-68.6-57.5000108.6K154 T158 A159K154-N156 PolarHBondContact O-N 2.86Å; K154-N156 VanDerWaalsContact O-N 3.1Å; N156-T158 PolarHBondContact O-N 2.95Å; N156-A159 PolarHBondContact O-N 2.84Å
157H58.4Low68Low175 Ų175128.4 Ų128.481%0.8169%0.686SS**THydrogen-bonded Turntrans-61-1.9174.2-76.3-72.8000113.6F155F155-H157 PolarHBondContact O-N 3.34Å
158T56Low67.9Low124 Ų124129.4 Ų129.476%0.76168%0.68SS**THydrogen-bonded Turntrans-88.5-6.5174.653.30000113.7N156 I160N156-T158 PolarHBondContact O-N 2.95Å; T158-I160 PolarHBondContact O-N 2.9Å
159A54.8Low67.9Low66 Ų66126.7 Ų126.755%0.54567%0.67SS.*  trans-77.357.615900000109.1N156 P161N156-A159 PolarHBondContact O-N 2.84Å; A159-P161 VanDerWaalsContact C-N 3.32Å; A159-P161 WeakPolarHBondContact O-CD 3.37Å
160I60.7Low67.8Low133 Ų133129.8 Ų129.868%0.68267%0.665SS**  trans-72.199.5152.9-59.7172.8000102.3T158 K162T158-I160 PolarHBondContact O-N 2.9Å; I160-K162 PolarHBondContact O-N 3.29Å
161P61.6Low67.2Low107 Ų107132.4 Ų132.470%0.69567%0.669SS**  trans-53.1123.5166.624.4-32000104.2A159 G163A159-P161 VanDerWaalsContact C-N 3.32Å; A159-P161 WeakPolarHBondContact O-CD 3.37Å; P161-G163 WeakPolarHBondContact O-CA 3.45Å; P161-G163 PolarHBondContact O-N 2.83Å
162K66.8Low66.3Low207 Ų207131.2 Ų131.290%0.966%0.659SS**  trans-39.3111.8174.1-70.2-170.5177.4-176.20105.8I160 Y164I160-K162 PolarHBondContact O-N 3.29Å; K162-Y164 PolarHBondContact O-N 3.3Å
163G71.5Confident65.6Low59 Ų59127.7 Ų127.761%0.60864%0.638SS**  trans-50.2139.2-166.200000108.6P161 R165P161-G163 WeakPolarHBondContact O-CA 3.45Å; P161-G163 PolarHBondContact O-N 2.83Å; G163-R165 PolarHBondContact O-N 3Å
164Y73.9Confident64.6Low192 Ų192128.6 Ų128.675%0.75364%0.635SS**  trans-42.7110.2-178.9168.9-99000109.8K162 C166 P167K162-Y164 PolarHBondContact O-N 3.3Å; Y164-C166 HydrophobicContact CE1-CB 4.46Å; Y164-C166 PolarHBondContact O-N 3.42Å; Y164-P167 WeakPolarHBondContact OH-CD 3.36Å
165R66Low63.9Low176 Ų176128.2 Ų128.266%0.66463%0.628SS**  trans-86.3110.3178.2-163.7179.6177-145.8-13.8106.4G163 P167 E170G163-R165 PolarHBondContact O-N 3Å; R165-P167 VanDerWaalsContact O-CD 3.29Å; R165-P167 WeakPolarHBondContact O-CD 3.33Å; R165-E170 IonicContact CZ-OE1 2.82Å; R165-E170 IonicContact NH1-OE1 3.78Å; R165-E170 IonicContact NH2-OE1 3.6Å; R165-E170 PolarHBondContact NH2-OE1 2.95Å
166C73.1Confident63.5Low41 Ų41126.9 Ų126.928%0.27763%0.628SS.*  trans-50.2117.5175.2165.40000110Y164 W168 Q169Y164-C166 HydrophobicContact CE1-CB 4.46Å; Y164-C166 PolarHBondContact O-N 3.42Å; C166-W168 PolarHBondContact O-N 2.92Å; C166-W168 VanDerWaalsContact O-N 3.12Å; C166-W168 PolarHBondContact SG-N 3.44Å; C166-W168 VanDerWaalsContact SG-N 3.39Å; C166-Q169 HydrophobicContact CB-CB 4.22Å; C166-Q169 WeakPolarHBondContact O-CB 3.35Å; C166-Q169 PolarHBondContact O-N 3.03Å; C166-Q169 PolarHBondContact SG-N 3.31Å
167P76Confident63Low79 Ų79129.9 Ų129.951%0.51363%0.631SS.*THydrogen-bonded Turntrans-62.5-19.1177.3-23.133.7000113.1Y164 R165Y164-P167 WeakPolarHBondContact OH-CD 3.36Å; R165-P167 VanDerWaalsContact O-CD 3.29Å; R165-P167 WeakPolarHBondContact O-CD 3.33Å
168W67.3Low62.7Low164 Ų164127.5 Ų127.562%0.62162%0.621SS**THydrogen-bonded Turntrans-89.2-4.9179-50.9103.2000113.2C166 E170 F171 V172C166-W168 PolarHBondContact O-N 2.92Å; C166-W168 VanDerWaalsContact O-N 3.12Å; C166-W168 PolarHBondContact SG-N 3.44Å; C166-W168 VanDerWaalsContact SG-N 3.39Å; W168-E170 PolarHBondContact O-N 3.07Å; W168-F171 HydrophobicContact CE3-CB 4.48Å; W168-F171 HydrophobicContact CE3-CD2 4.12Å; W168-F171 HydrophobicContact CE3-CG 4.4Å; W168-F171 PolarHBondContact O-N 3.4Å; W168-V172 PolarHBondContact O-N 3.04Å
169Q70.3Confident62.6Low121 Ų121125.9 Ų125.957%0.56561%0.614SS**THydrogen-bonded Turntrans-57-33.4179.4-17184.438.600111.8C166C166-Q169 HydrophobicContact CB-CB 4.22Å; C166-Q169 WeakPolarHBondContact O-CB 3.35Å; C166-Q169 PolarHBondContact O-N 3.03Å; C166-Q169 PolarHBondContact SG-N 3.31Å
170E67.1Low62.4Low138 Ų138130.1 Ų130.165%0.64563%0.628SS**THydrogen-bonded Turntrans-82.7-20.1-179.7-64.6175.3-175.900112.5R165 W168R165-E170 IonicContact CZ-OE1 2.82Å; R165-E170 IonicContact NH1-OE1 3.78Å; R165-E170 IonicContact NH2-OE1 3.6Å; R165-E170 PolarHBondContact NH2-OE1 2.95Å; W168-E170 PolarHBondContact O-N 3.07Å
171F61.8Low61.9Low152 Ų152128.2 Ų128.267%0.66764%0.641SS**THydrogen-bonded Turntrans-91.2-22.4179.2-71.4-83.5000113.3W168 S173W168-F171 HydrophobicContact CE3-CB 4.48Å; W168-F171 HydrophobicContact CE3-CD2 4.12Å; W168-F171 HydrophobicContact CE3-CG 4.4Å; W168-F171 PolarHBondContact O-N 3.4Å; F171-S173 VanDerWaalsContact C-N 3.31Å; F171-S173 PolarHBondContact O-N 3.28Å; F171-S173 VanDerWaalsContact O-N 3.17Å
172V58.7Low61.5Low77 Ų77131.8 Ų131.847%0.46764%0.641SS.*SBendtrans-86.978.2171.3-1720000107.7W168 Y174 Y177W168-V172 PolarHBondContact O-N 3.04Å; V172-Y174 PolarHBondContact O-N 3.24Å; V172-Y177 HydrophobicContact CG1-CE2 4.28Å
173S58.1Low60.8Low45 Ų45127.4 Ų127.432%0.31564%0.636SS.*  trans-69120.9172.896.60000107.9F171 R175 D176F171-S173 VanDerWaalsContact C-N 3.31Å; F171-S173 PolarHBondContact O-N 3.28Å; F171-S173 VanDerWaalsContact O-N 3.17Å; S173-R175 PolarHBondContact O-N 2.87Å; S173-D176 PolarHBondContact O-N 2.73Å; S173-D176 VanDerWaalsContact O-N 3.07Å; S173-D176 PolarHBondContact OG-OD2 3.08Å
174Y55.2Low60.1Low186 Ų186131 Ų13173%0.72964%0.637SS**G310 helixtrans-59.3-11.8174.7-99.1-93.7000112.8V172 D176 Y177V172-Y174 PolarHBondContact O-N 3.24Å; Y174-D176 VanDerWaalsContact C-N 3.32Å; Y174-Y177 PolarHBondContact O-N 3.27Å
175R55Low59.4Low186 Ų186127.7 Ų127.770%0.70264%0.637SS**G310 helixtrans-72.3-24.7177.2-55.5-62.9-83-167.1-13.8112.4S173 Y177 Q178S173-R175 PolarHBondContact O-N 2.87Å; R175-Y177 PolarHBondContact O-N 2.84Å; R175-Q178 WeakPolarHBondContact O-CB 3.09Å; R175-Q178 PolarHBondContact O-N 3.01Å
176D55.1Low59Low117 Ų117122.4 Ų122.463%0.62663%0.625SS**G310 helixtrans-69.8-18.9175.8-60-44.7000112.4S173 Y174S173-D176 PolarHBondContact O-N 2.73Å; S173-D176 VanDerWaalsContact O-N 3.07Å; S173-D176 PolarHBondContact OG-OD2 3.08Å; Y174-D176 VanDerWaalsContact C-N 3.32Å
177Y54.8Low58.3Low182 Ų182122.8 Ų122.871%0.71463%0.628SS**G310 helixtrans-91.9-3.5171.8-65-74.6000113.6V172 Y174 R175V172-Y177 HydrophobicContact CG1-CE2 4.28Å; Y174-Y177 PolarHBondContact O-N 3.27Å; R175-Y177 PolarHBondContact O-N 2.84Å
178Q53.4Low57.5Low125 Ų125124.5 Ų124.558%0.58464%0.639SS**  trans-97.416.1-177.5-123.6151.546.900112.4R175 D180R175-Q178 WeakPolarHBondContact O-CB 3.09Å; R175-Q178 PolarHBondContact O-N 3.01Å; Q178-D180 PolarHBondContact O-N 2.94Å
179S53.3Low57.1Low90 Ų90122.8 Ų122.863%0.62964%0.642SS**SBendtrans-70.2119.8170.680.60000109.6G181S179-G181 PolarHBondContact O-N 3.44Å
180D50.3Low56.9Low156 Ų156121.9 Ų121.983%0.83464%0.641SS**  trans-27.5111.7173.7-78.9-43000114.1Q178 R182Q178-D180 PolarHBondContact O-N 2.94Å; D180-R182 PolarHBondContact O-N 3.11Å
181G51.5Low56.7Low93 Ų93122.3 Ų122.396%0.95964%0.638SS**SBendtrans48.20.2139.300000121.4S179S179-G181 PolarHBondContact O-N 3.44Å
182R52.2Low56.7Low181 Ų181126 Ų12668%0.68365%0.648SS**  trans-116.888.3-177.3-157.1168.8-147-1063.3106.5D180 H184D180-R182 PolarHBondContact O-N 3.11Å; R182-H184 PolarHBondContact NH1-CE1 3.5Å; R182-H184 PolarHBondContact O-CD2 3.11Å; R182-H184 PolarHBondContact O-N 2.93Å
183S52.7Low57Low115 Ų115126 Ų12680%0.80465%0.645SS**  trans-55.988.2162.7-78.10000108.3T185S183-T185 PolarHBondContact O-N 3.39Å
184H56.4Low57.4Low136 Ų136133.9 Ų133.963%0.6367%0.674SS**  trans-70.485.8157.6-71.2-82.4000104.9R182 P186R182-H184 PolarHBondContact NH1-CE1 3.5Å; R182-H184 PolarHBondContact O-CD2 3.11Å; R182-H184 PolarHBondContact O-N 2.93Å; H184-P186 WeakPolarHBondContact O-CD 3.32Å; H184-P186 VanDerWaalsContact O-N 3.13Å
185T58.6Low57.8Low121 Ų121132.1 Ų132.174%0.74268%0.678SS**  trans-63109.4160.437.80000105.5S183 S187S183-T185 PolarHBondContact O-N 3.39Å; T185-S187 PolarHBondContact O-N 2.92Å; T185-S187 VanDerWaalsContact O-N 3.13Å
186P57.7Low58.4Low66 Ų66129 Ų12943%0.42967%0.669SS.*  trans-59.9126176.124.8-31.6000106.7H184 D190 Y191H184-P186 WeakPolarHBondContact O-CD 3.32Å; H184-P186 VanDerWaalsContact O-N 3.13Å; P186-D190 HydrophobicContact CB-CB 4.1Å; P186-Y191 HydrophobicContact CB-CE2 4.24Å; P186-Y191 HydrophobicContact CG-CE2 4.01Å
187S58.9Low58.7Low48 Ų48129.2 Ų129.234%0.33668%0.675SS.*  trans-61.6152.6177.7740000108T185 N189 D190T185-S187 PolarHBondContact O-N 2.92Å; T185-S187 VanDerWaalsContact O-N 3.13Å; S187-N189 PolarHBondContact O-N 3.41Å; S187-D190 WeakPolarHBondContact CB-OD2 3.36Å; S187-D190 PolarHBondContact N-OD2 2.82Å; S187-D190 WeakPolarHBondContact O-CB 3.49Å; S187-D190 PolarHBondContact O-N 3.16Å; S187-D190 VanDerWaalsContact OG-CG 3.27Å; S187-D190 PolarHBondContact OG-OD2 3.5Å
188P59.3Low58.9Low115 Ų115126.3 Ų126.375%0.74768%0.678SS**THydrogen-bonded Turntrans-52.3-18.5175.4-28.836.2000114.4
189N57.9Low59.3Low128 Ų128124.7 Ų124.768%0.68468%0.676SS**THydrogen-bonded Turntrans-78.2-20.6175.6-75.1-15.8000114.3S187 Y191S187-N189 PolarHBondContact O-N 3.41Å; N189-Y191 VanDerWaalsContact C-N 3.33Å
190D66.3Low59.8Low102 Ų102125.5 Ų125.555%0.54568%0.68SS.*THydrogen-bonded Turntrans-83-14.5-178.2-57.4-41.8000112.2P186 S187 R192P186-D190 HydrophobicContact CB-CB 4.1Å; S187-D190 WeakPolarHBondContact CB-OD2 3.36Å; S187-D190 PolarHBondContact N-OD2 2.82Å; S187-D190 WeakPolarHBondContact O-CB 3.49Å; S187-D190 PolarHBondContact O-N 3.16Å; S187-D190 VanDerWaalsContact OG-CG 3.27Å; S187-D190 PolarHBondContact OG-OD2 3.5Å; D190-R192 PolarHBondContact O-N 2.85Å
191Y62.6Low60.2Low147 Ų147127.2 Ų127.258%0.57668%0.68SS**  trans-72.5115.1175-71-89.7000111P186 N189 N193P186-Y191 HydrophobicContact CB-CE2 4.24Å; P186-Y191 HydrophobicContact CG-CE2 4.01Å; N189-Y191 VanDerWaalsContact C-N 3.33Å; Y191-N193 PolarHBondContact O-N 2.9Å; Y191-N193 VanDerWaalsContact O-N 3.09Å
192R63.3Low60.7Low229 Ų229125.3 Ų125.386%0.86466%0.66SS**  trans-71.499165.7-66.2-70.7150.5177.5-2108D190D190-R192 PolarHBondContact O-N 2.85Å
193N64.7Low61.2Low79 Ų79118.5 Ų118.542%0.42265%0.647SS.*  trans-88.5147.616992.3-6.5000109.6Y191 N195 K196Y191-N193 PolarHBondContact O-N 2.9Å; Y191-N193 VanDerWaalsContact O-N 3.09Å; N193-N195 PolarHBondContact O-N 3.46Å; N193-N195 PolarHBondContact OD1-N 3.37Å; N193-K196 WeakPolarHBondContact OD1-CA 3Å; N193-K196 WeakPolarHBondContact OD1-CB 3.32Å; N193-K196 WeakPolarHBondContact OD1-CG 3.41Å; N193-K196 PolarHBondContact OD1-N 3.02Å
194F65.3Low61.4Low209 Ų209119.3 Ų119.392%0.91765%0.649SS**THydrogen-bonded Turntrans-80.2-1.8174.9-70.1-86000113
195N64.9Low61.2Low150 Ų150120.1 Ų120.180%0.80266%0.657SS**THydrogen-bonded Turntrans-98.81.6-179.5-64.8-27.1000113.1N193N193-N195 PolarHBondContact O-N 3.46Å; N193-N195 PolarHBondContact OD1-N 3.37Å
196K66.9Low61Low121 Ų121121.3 Ų121.353%0.52666%0.664SS.*SBendtrans-82.7123.5170.4-88.5170.4176.2-167.90106.4N193N193-K196 WeakPolarHBondContact OD1-CA 3Å; N193-K196 WeakPolarHBondContact OD1-CB 3.32Å; N193-K196 WeakPolarHBondContact OD1-CG 3.41Å; N193-K196 PolarHBondContact OD1-N 3.02Å
197T61.7Low60.7Low121 Ų121121.9 Ų121.974%0.74268%0.682SS**PPolyproline II helixtrans-52.8123.616835.90000108V199T197-V199 PolarHBondContact O-N 3.46Å; T197-V199 VanDerWaalsContact O-N 3.07Å
198P58.8Low60Low120 Ų120121.6 Ų121.678%0.77969%0.687SS**PPolyproline II helixtrans-60.1119.7174.923.6-30.7000107P200P198-P200 WeakPolarHBondContact O-CD 3.06Å
199V61.2Low59.4Low91 Ų91122.9 Ų122.955%0.55269%0.693SS**  trans-85.2106.8173.2-176.30000106.1T197 F201T197-V199 PolarHBondContact O-N 3.46Å; T197-V199 VanDerWaalsContact O-N 3.07Å; V199-F201 PolarHBondContact O-N 3.22Å; V199-F201 VanDerWaalsContact O-N 3.09Å
200P64.6Low58.6Low108 Ų108126.2 Ų126.270%0.70170%0.701SS**THydrogen-bonded Turntrans-66.1-15.3-169.724.4-32.9000114.1P198P198-P200 WeakPolarHBondContact O-CD 3.06Å
201F59.4Low57.6Low192 Ų192126.8 Ų126.884%0.84271%0.711SS**THydrogen-bonded Turntrans-129.122.6-174.8-61.3-70.2000114.9V199V199-F201 PolarHBondContact O-N 3.22Å; V199-F201 VanDerWaalsContact O-N 3.09Å
202G61.9Low57Low52 Ų52130.5 Ų130.554%0.53672%0.724SS.*  trans68.1131-175.600000111.9
203G61.5Low56.1Low39 Ų39126 Ų12640%0.40272%0.724SS.*  trans-63.3173175.700000112.3L205G203-L205 PolarHBondContact O-N 3.43Å
204P57Low55.4Low131 Ų131125.8 Ų125.885%0.85174%0.741SS**  trans-56.7112.7179.3-17.228.8000109.9V206P204-V206 VanDerWaalsContact C-N 3.29Å; P204-V206 PolarHBondContact O-N 2.94Å
205L52.1Low54.7Low154 Ų154121.5 Ų121.581%0.80673%0.732SS**  trans-68.987.5175.3-77.9105.3000109.3G203G203-L205 PolarHBondContact O-N 3.43Å
206V54.1Low53.9Low145 Ų145119.8 Ų119.888%0.87973%0.729SS**SBendtrans-88.6100.8158177.70000106.6P204P204-V206 VanDerWaalsContact C-N 3.29Å; P204-V206 PolarHBondContact O-N 2.94Å
207G52Low53.2Low79 Ų79123.4 Ų123.481%0.81475%0.745SS**SBendtrans110.936.3163.800000117.6
208G44.8Very low52.7Low42 Ų42124.2 Ų124.243%0.43374%0.743SS.*  trans-107.2112.2162.900000110F210G208-F210 PolarHBondContact O-N 3.37Å
209T45.4Very low52.3Low142 Ų142123.4 Ų123.487%0.87174%0.738SS**  trans-55.6112.8166.437.50000108.8
210F42.4Very low52.2Low198 Ų198127.4 Ų127.487%0.86875%0.751SS**PPolyproline II helixtrans-53.7125.6173.2-65.7-83.3000109.5G208 R212G208-F210 PolarHBondContact O-N 3.37Å; F210-R212 PolarHBondContact O-N 3.09Å
211P45.8Very low51.7Low114 Ų114127.5 Ų127.574%0.7475%0.751SS**PPolyproline II helixtrans-67.1122.7166.426.7-28.5000107.8
212R49.6Very low51.6Low224 Ų224123.2 Ų123.285%0.84574%0.736SS**PPolyproline II helixtrans-47.9136.1173.8-176.7176.7177.6-148.2-0.2110.4F210 G214F210-R212 PolarHBondContact O-N 3.09Å; R212-G214 PolarHBondContact O-N 3.49Å; R212-G214 VanDerWaalsContact O-N 3.08Å
213P44.2Very low51.9Low134 Ų134124 Ų12487%0.8773%0.734SS**THydrogen-bonded Turntrans-67.9111.3-179.527.8-31.8000108.8
214G49.9Very low52Low75 Ų75124.3 Ų124.377%0.77374%0.737SS**THydrogen-bonded Turntrans171.6-8.3-178.900000116.7R212R212-G214 PolarHBondContact O-N 3.49Å; R212-G214 VanDerWaalsContact O-N 3.08Å
215T50.5Low52.4Low120 Ų120123.9 Ų123.974%0.73673%0.727SS**SBendtrans-86.5129173.311.70000110.5F217T215-F217 PolarHBondContact O-N 2.62Å
216P48.9Very low53.1Low113 Ų113121 Ų12173%0.73471%0.71SS**  trans-62.9131.7178.325.9-32.5000109.8I218P216-I218 PolarHBondContact O-N 3.37Å
217F51.2Low53.7Low197 Ų197119.2 Ų119.286%0.86469%0.694SS**  trans-59.8102.1174.2-148.5-95000107.9T215 P219T215-F217 PolarHBondContact O-N 2.62Å; F217-P219 VanDerWaalsContact O-CD 3.31Å; F217-P219 WeakPolarHBondContact O-CD 3.21Å
218I50.6Low54.3Low139 Ų139120.6 Ų120.671%0.71368%0.683SS**  trans-75.3116.1166.4-59.5175.5000105P216 E220P216-I218 PolarHBondContact O-N 3.37Å; I218-E220 PolarHBondContact O-N 3.33Å
219P51.7Low55.1Low102 Ų102128.6 Ų128.666%0.66270%0.7SS**  trans-63.9113.8170.9-1227.3000106.9F217 P221F217-P219 VanDerWaalsContact O-CD 3.31Å; F217-P219 WeakPolarHBondContact O-CD 3.21Å; P219-P221 VanDerWaalsContact O-CD 3.24Å; P219-P221 WeakPolarHBondContact O-CD 3.48Å; P219-P221 VanDerWaalsContact O-N 3.12Å
220E58.5Low56.2Low176 Ų176128.3 Ų128.382%0.82269%0.692SS**  trans-57115.8168.9-74.1-175.6159.500107.7I218 L222I218-E220 PolarHBondContact O-N 3.33Å; E220-L222 PolarHBondContact O-N 3.07Å
221P54.5Low57.3Low110 Ų110127.3 Ų127.371%0.71468%0.683SS**  trans-85.328.2-171.335.8-35.1000111.9P219P219-P221 VanDerWaalsContact O-CD 3.24Å; P219-P221 WeakPolarHBondContact O-CD 3.48Å; P219-P221 VanDerWaalsContact O-N 3.12Å
222L57.3Low58.2Low101 Ų101127.2 Ų127.253%0.52968%0.682SS.*  trans-122.480.5-176.2-69.4159.2000108.3E220 G224E220-L222 PolarHBondContact O-N 3.07Å; L222-G224 PolarHBondContact O-N 3.33Å
223S68Low59.1Low69 Ų69119.7 Ų119.748%0.48366%0.663SS.*  trans-46.5130165.5170.90000108.8L225 E226S223-L225 PolarHBondContact O-N 2.83Å; S223-E226 PolarHBondContact O-N 3.45Å
224G63.4Low59.9Low46 Ų46123.1 Ų123.147%0.47467%0.665SS.*Hα-helixtrans-54-19.3-177.800000114L222 L227 L228L222-G224 PolarHBondContact O-N 3.33Å; G224-L227 PolarHBondContact O-N 3.41Å; G224-L228 WeakPolarHBondContact O-CG 3.2Å; G224-L228 PolarHBondContact O-N 2.72Å; G224-L228 VanDerWaalsContact O-N 3.1Å
225L64.7Low60.7Low121 Ų121127 Ų12763%0.63467%0.668SS**Hα-helixtrans-66.3-33.1172.3-61.7-178.1000113.6S223 L228 R229S223-L225 PolarHBondContact O-N 2.83Å; L225-L228 HydrophobicContact CD2-CD1 4.27Å; L225-L228 PolarHBondContact O-N 3.13Å; L225-R229 PolarHBondContact O-N 2.86Å
226E68Low61.3Low95 Ų95130.9 Ų130.944%0.44467%0.669SS.*Hα-helixtrans-72.3-38.7175.4-62.7-157150.700111.6S223 L228 R229 L230S223-E226 PolarHBondContact O-N 3.45Å; E226-L228 VanDerWaalsContact C-N 3.29Å; E226-L228 PolarHBondContact O-N 3.33Å; E226-R229 WeakPolarHBondContact O-CB 2.75Å; E226-R229 PolarHBondContact O-N 2.88Å; E226-R229 VanDerWaalsContact O-N 3.13Å; E226-L230 WeakPolarHBondContact O-CG 3.4Å; E226-L230 PolarHBondContact O-N 3.24Å; E226-L230 VanDerWaalsContact O-N 3.14Å
227L66Low62Low106 Ų106131.7 Ų131.756%0.55567%0.672SS**Hα-helixtrans-61.5-36.6171.9-86.7158.7000112.2G224 R229 L230 R231G224-L227 PolarHBondContact O-N 3.41Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-L230 PolarHBondContact O-N 2.87Å; L227-R231 PolarHBondContact O-N 2.92Å
228L64.1Low62.3Low109 Ų109126.7 Ų126.757%0.57167%0.667SS**Hα-helixtrans-68.2-30.4175.1-71.7171.7000112.9G224 L225 E226 R231G224-L228 WeakPolarHBondContact O-CG 3.2Å; G224-L228 PolarHBondContact O-N 2.72Å; G224-L228 VanDerWaalsContact O-N 3.1Å; L225-L228 HydrophobicContact CD2-CD1 4.27Å; L225-L228 PolarHBondContact O-N 3.13Å; E226-L228 VanDerWaalsContact C-N 3.29Å; E226-L228 PolarHBondContact O-N 3.33Å; L228-R231 WeakPolarHBondContact O-CB 3.36Å; L228-R231 PolarHBondContact O-N 2.9Å
229R63.1Low62.8Low210 Ų210128.2 Ų128.279%0.79267%0.671SS**Hα-helixtrans-72.1-32.8174.5-75.3177.2165165.8-3.4112.8L225 E226 L227 R231L225-R229 PolarHBondContact O-N 2.86Å; E226-R229 WeakPolarHBondContact O-CB 2.75Å; E226-R229 PolarHBondContact O-N 2.88Å; E226-R229 VanDerWaalsContact O-N 3.13Å; L227-R229 VanDerWaalsContact C-N 3.33Å; R229-R231 VanDerWaalsContact C-N 3.29Å
230L67.4Low63.5Low136 Ų136126 Ų12671%0.71267%0.667SS**Hα-helixtrans-80.8-10.7176.6-65.1170000112.9E226 L227E226-L230 WeakPolarHBondContact O-CG 3.4Å; E226-L230 PolarHBondContact O-N 3.24Å; E226-L230 VanDerWaalsContact O-N 3.14Å; L227-L230 PolarHBondContact O-N 2.87Å
231R66.3Low63.2Low177 Ų177130.1 Ų130.167%0.66868%0.675SS**SBendtrans-62.6131.7175.6-172.9-179.5177.7178.70.6109.5L227 L228 R229 S233L227-R231 PolarHBondContact O-N 2.92Å; L228-R231 WeakPolarHBondContact O-CB 3.36Å; L228-R231 PolarHBondContact O-N 2.9Å; R229-R231 VanDerWaalsContact C-N 3.29Å; R231-S233 PolarHBondContact O-N 3.45Å
232P65.1Low62.9Low111 Ų111129.2 Ų129.272%0.72167%0.667SS**  trans-56.3105.5169.5-23.833.9000109.6
233S67.6Low62.6Low66 Ų66133.7 Ų133.746%0.46268%0.677SS.*  trans-80.2122.8175.959.70000108.8R231 N235R231-S233 PolarHBondContact O-N 3.45Å; S233-N235 PolarHBondContact O-N 3.28Å
234F61.3Low61.7Low207 Ų207137.2 Ų137.291%0.90869%0.691SS**SBendtrans-72.5-12.5173.5-123.8-92.2000112.2R236F234-R236 PolarHBondContact O-N 2.98Å
235N67.3Low61Low157 Ų157139 Ų13984%0.8469%0.688SS**  trans-86.435.4176.2-61.6-22.6000112.2S233 V237S233-N235 PolarHBondContact O-N 3.28Å; N235-V237 PolarHBondContact O-N 3.14Å
236R62.3Low60.5Low201 Ų201138.8 Ų138.876%0.75870%0.695SS**  trans-76.8121.1168-75.1179.2171.7-170-3.4107.3F234 A238F234-R236 PolarHBondContact O-N 2.98Å; R236-A238 PolarHBondContact O-N 3.18Å
237V63.9Low59.4Low129 Ų129141.9 Ų141.978%0.78271%0.709SS**  trans-49.5133.2165.1165.60000107.1N235 Q239N235-V237 PolarHBondContact O-N 3.14Å; V237-Q239 VanDerWaalsContact C-N 3.31Å; V237-Q239 PolarHBondContact O-N 2.61Å
238A57.9Low58.9Low93 Ų93142.5 Ų142.577%0.76972%0.722SS**  trans-56.4100174.700000107.9R236 G240R236-A238 PolarHBondContact O-N 3.18Å; A238-G240 PolarHBondContact O-N 3.41Å; A238-G240 VanDerWaalsContact O-N 3.08Å
239Q60.1Low58.3Low171 Ų171146.8 Ų146.880%0.79974%0.739SS**  trans-64114.2163.7-69.2-171.6-14.400103.5V237 V242V237-Q239 VanDerWaalsContact C-N 3.31Å; V237-Q239 PolarHBondContact O-N 2.61Å; Q239-V242 HydrophobicContact CB-CG2 4.48Å
240G66Low57.9Low55 Ų55145.2 Ų145.257%0.56774%0.741SS**  trans-56.8-170.7-179.200000111.4A238 V242A238-G240 PolarHBondContact O-N 3.41Å; A238-G240 VanDerWaalsContact O-N 3.08Å; G240-V242 VanDerWaalsContact C-N 3.26Å; G240-V242 PolarHBondContact O-N 2.71Å
241W52.6Low56.6Low263 Ų263150.3 Ų150.3100%0.99677%0.768SS**  trans-64.691.6176.6-6460.7000108.4R243W241-R243 VanDerWaalsContact C-N 3.34Å; W241-R243 PolarHBondContact O-N 2.96Å
242V47.7Very low56.2Low91 Ų91149 Ų14955%0.55277%0.773SS**  trans-66100.2176-179.30000105.9Q239 G240 N244Q239-V242 HydrophobicContact CB-CG2 4.48Å; G240-V242 VanDerWaalsContact C-N 3.26Å; G240-V242 PolarHBondContact O-N 2.71Å; V242-N244 VanDerWaalsContact C-N 3.3Å; V242-N244 WeakPolarHBondContact CG1-OD1 3.46Å; V242-N244 PolarHBondContact O-N 3.31Å
243R51.4Low55.7Low195 Ų195151 Ų15174%0.73678%0.776SS**  trans-70.794.8164.3-176.6179.2171-159.1-10105.3W241 L245W241-R243 VanDerWaalsContact C-N 3.34Å; W241-R243 PolarHBondContact O-N 2.96Å; R243-L245 HydrophobicContact CG-CD1 4.06Å; R243-L245 PolarHBondContact O-N 3.25Å
244N48.8Very low55Low143 Ų143155.7 Ų155.777%0.76579%0.793SS**  trans-6689165.2-65.8-43.7000106.9V242V242-N244 VanDerWaalsContact C-N 3.3Å; V242-N244 WeakPolarHBondContact CG1-OD1 3.46Å; V242-N244 PolarHBondContact O-N 3.31Å
245L50.1Low54.7Low82 Ų82152.7 Ų152.743%0.42979%0.786SS.*  trans-100.8123.7161.6-13272.5000106.3R243 E247R243-L245 HydrophobicContact CG-CD1 4.06Å; R243-L245 PolarHBondContact O-N 3.25Å; L245-E247 VanDerWaalsContact C-N 3.27Å; L245-E247 HydrophobicContact CB-CG 4.49Å; L245-E247 HydrophobicContact CD2-CG 4.05Å; L245-E247 PolarHBondContact O-N 3.12Å; L245-E247 VanDerWaalsContact O-N 3.08Å
246P54.2Low53.9Low118 Ų118152.4 Ų152.477%0.76678%0.783SS**  trans-74.591.7160.230-27.2000106.7S248P246-S248 PolarHBondContact O-N 2.91Å
247E44.5Very low53.3Low160 Ų160149.2 Ų149.275%0.74879%0.785SS**  trans-80.3103.5158-72.3-177.9-178.600106.1L245 E249L245-E247 VanDerWaalsContact C-N 3.27Å; L245-E247 HydrophobicContact CB-CG 4.49Å; L245-E247 HydrophobicContact CD2-CG 4.05Å; L245-E247 PolarHBondContact O-N 3.12Å; L245-E247 VanDerWaalsContact O-N 3.08Å; E247-E249 PolarHBondContact O-N 3.1Å
248S55.1Low52.6Low118 Ų118150.6 Ų150.683%0.82579%0.785SS**  trans-69.9102.9167.3-51.60000108.1P246P246-S248 PolarHBondContact O-N 2.91Å
249E51.4Low52.1Low199 Ų199155.1 Ų155.193%0.9379%0.786SS**  trans-91.2102.7156.2-92.7-174.8148.300107.9E247E247-E249 PolarHBondContact O-N 3.1Å
250E54.3Low51.5Low177 Ų177153.8 Ų153.883%0.82779%0.785SS**  trans-143.5104.4160.4-150.7167.3-152.100108.6
251L41.7Very low50.2Low244 Ų244162.7 Ų162.7100%1.27781%0.805SS**  trans59.70154.7-65.5164.9000120.4

Retrieved 251 of 251 residues in 123.4 ms (Link to these results)