A0A067ZUL0_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZUL0, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 264 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
1L32Very low30Very low233 Ų233155.8 Ų155.8100%1.2282%0.82SS**  099.50-93.4136.9000107.7
2F27.9Very low29.9Very low210 Ų210148.9 Ų148.992%0.92182%0.815SS**  trans-84.4136.2168.2-93.8-94.3000107.7
3C28.6Very low30.1Very low117 Ų117143.8 Ų143.879%0.79182%0.817SS**  trans-128.7117.3169.2-155.30000108.3
4C33.2Very low30Very low121 Ų121142.4 Ų142.482%0.81882%0.819SS**  trans-91.3128.6169.6-64.70000108.1
5L31.9Very low30.2Very low140 Ų140146.7 Ų146.773%0.73382%0.824SS**  trans-130111.8160.5-86165000106.8
6G32.6Very low30.2Very low63 Ų63144.6 Ų144.665%0.64982%0.816SS**  trans-86.2154.1176.400000111.7
7Y26Very low30.1Very low214 Ų214151.2 Ų151.284%0.83983%0.825SS**  trans-144.7139.3154.3-55.7-79.8000108.6
8E28.2Very low30Very low170 Ų170152.1 Ų152.179%0.79482%0.823SS**  trans-99.9161.6-168.3-116-171.8134.800112
9W31.9Very low30Very low200 Ų200149.4 Ų149.476%0.75882%0.816SS**  trans78.2139154.6-85.953.5000118.9
10L28Very low30.1Very low125 Ų125146.5 Ų146.565%0.65481%0.813SS**  cis-175.3138-1.8-178.5-160.9000108.1
11S30Very low30Very low121 Ų121149.9 Ų149.985%0.84681%0.814SS**  trans156.4128.3136-170.80000113
12G29.1Very low30Very low73 Ų73145.3 Ų145.375%0.75380%0.795SS**  trans9990.815200000116.4
13G32.4Very low30.3Very low82 Ų82142.9 Ų142.985%0.84578%0.78SS**  trans-55.8139.9-174.300000117.4
14C28.3Very low30.5Very low125 Ų125140.2 Ų140.285%0.84577%0.772SS**  -166.2130.2120.3-134.70000109T16C14-T16 PolarHBondContact O-N 3.19Å
15K33.4Very low31Very low207 Ų207140.4 Ų140.490%0.978%0.775SS**  trans-74.3104177.9-78.9174.1176.6169.40109.7
16T29.6Very low31.5Very low113 Ų113139 Ų13969%0.69378%0.777SS**  trans-129.7119.4155.246.70000108.3C14 H18C14-T16 PolarHBondContact O-N 3.19Å; T16-H18 PolarHBondContact O-N 3.01Å
17W28.6Very low31.8Very low256 Ų256138.1 Ų138.197%0.9776%0.76SS**  trans-59105.8176.1-76.678.6000109.8
18H28.1Very low32.8Very low168 Ų168134.1 Ų134.178%0.77875%0.749SS**  trans-122111.1161.2-99.9-99.3000107.5T16 A20T16-H18 PolarHBondContact O-N 3.01Å; H18-A20 PolarHBondContact O-N 3.23Å
19S30.6Very low33.8Very low100 Ų100130.5 Ų130.570%0.69974%0.74SS**  trans-58.698165.741.30000109W21S19-W21 PolarHBondContact O-N 2.93Å
20A30.8Very low34.3Very low91 Ų91123.8 Ų123.875%0.75273%0.727SS**  trans-74.9104.8174.100000109.1H18 V22H18-A20 PolarHBondContact O-N 3.23Å; A20-V22 PolarHBondContact O-N 3.27Å
21W29.9Very low35.4Very low219 Ų219121 Ų12183%0.8371%0.713SS**  trans-75.7102.1167.2-67.583.1000108.2S19 W23S19-W21 PolarHBondContact O-N 2.93Å; W21-W23 PolarHBondContact O-N 3.15Å
22V31.4Very low36.4Very low137 Ų137119.8 Ų119.883%0.8370%0.695SS**  trans-67.398.7166.9176.70000107.4A20 G24A20-V22 PolarHBondContact O-N 3.27Å; V22-G24 PolarHBondContact O-N 3.02Å; V22-G24 VanDerWaalsContact O-N 3.15Å
23W33.3Very low37.3Very low158 Ų158120.7 Ų120.760%0.59869%0.689SS**  trans-69.4107.7169.2-8649.8000108.2W21 S25 C27 I31W21-W23 PolarHBondContact O-N 3.15Å; W23-S25 PolarHBondContact O-N 3.49Å; W23-C27 HydrophobicContact CE3-CB 4.38Å; W23-I31 HydrophobicContact CH2-CG2 4.27Å; W23-I31 HydrophobicContact CZ3-CD1 4.25Å; W23-I31 HydrophobicContact CZ3-CG2 4.43Å
24G32.8Very low37.9Very low61 Ų61122.9 Ų122.963%0.62968%0.676SS**  trans-51.2136.5163.700000110.2V22 S26V22-G24 PolarHBondContact O-N 3.02Å; V22-G24 VanDerWaalsContact O-N 3.15Å; G24-S26 VanDerWaalsContact C-N 3.35Å; G24-S26 PolarHBondContact O-N 3.32Å
25S44.9Very low39Very low125 Ų125122.4 Ų122.487%0.87466%0.664SS**SBendtrans-50.580.6-169.5-44.30000114.9W23W23-S25 PolarHBondContact O-N 3.49Å
26S40.6Very low39.7Very low111 Ų111116.6 Ų116.678%0.77665%0.648SS**  trans-154.630.5165-710000111.7G24 H28G24-S26 VanDerWaalsContact C-N 3.35Å; G24-S26 PolarHBondContact O-N 3.32Å; S26-H28 PolarHBondContact O-N 3.26Å
27C40.7Very low40.4Very low44 Ų44117.8 Ų117.830%0.29765%0.645SS.*  trans-75.1104.8169.9-62.20000109.3W23 I32W23-C27 HydrophobicContact CE3-CB 4.38Å; C27-I32 HydrophobicContact CB-CD1 4.19Å; C27-I32 HydrophobicContact CB-CG1 4.21Å
28H45.3Very low41.5Very low130 Ų130109 Ų10960%0.60262%0.619SS**  trans-54.1138.5169.8-158.7-102.2000110S26 A30 I31S26-H28 PolarHBondContact O-N 3.26Å; H28-A30 PolarHBondContact O-N 3.46Å; H28-I31 HydrophobicContact CB-CD1 4.32Å; H28-I31 HydrophobicContact CB-CG1 4.48Å; H28-I31 WeakPolarHBondContact O-CB 3.47Å; H28-I31 PolarHBondContact O-N 3.15Å
29P49.3Very low42.2Very low95 Ų95103.2 Ų103.262%0.61760%0.6SS**Hα-helixtrans-56.6-23.1-174.418.1-30.6000114I31 I32 C33P29-I31 VanDerWaalsContact C-N 3.34Å; P29-I31 PolarHBondContact O-N 3.39Å; P29-I32 PolarHBondContact O-N 3.09Å; P29-C33 PolarHBondContact O-N 2.76Å; P29-C33 VanDerWaalsContact O-N 3.15Å
30A44Very low42.7Very low59 Ų59105.1 Ų105.149%0.48860%0.596SS.*Hα-helixtrans-64.3-32.8173.700000114H28 F34H28-A30 PolarHBondContact O-N 3.46Å; A30-F34 PolarHBondContact O-N 3.45Å; A30-F34 VanDerWaalsContact O-N 3.11Å
31I49.8Very low43.4Very low67 Ų67105.3 Ų105.334%0.34459%0.588SS.*Hα-helixtrans-75.3-37.6-178.7-61173.7000110.2W23 H28 P29 F34 L35W23-I31 HydrophobicContact CH2-CG2 4.27Å; W23-I31 HydrophobicContact CZ3-CD1 4.25Å; W23-I31 HydrophobicContact CZ3-CG2 4.43Å; H28-I31 HydrophobicContact CB-CD1 4.32Å; H28-I31 HydrophobicContact CB-CG1 4.48Å; H28-I31 WeakPolarHBondContact O-CB 3.47Å; H28-I31 PolarHBondContact O-N 3.15Å; P29-I31 VanDerWaalsContact C-N 3.34Å; P29-I31 PolarHBondContact O-N 3.39Å; I31-F34 PolarHBondContact O-N 3.45Å; I31-L35 HydrophobicContact CG2-CD1 4.3Å; I31-L35 PolarHBondContact O-N 3.49Å; I31-L35 VanDerWaalsContact O-N 3.1Å
32I52.5Low43.9Very low94 Ų9499.9 Ų99.948%0.48258%0.579SS.*Hα-helixtrans-66.1-42.1175.4-60.9172.7000110.2C27 P29 F34 L35 C36C27-I32 HydrophobicContact CB-CD1 4.19Å; C27-I32 HydrophobicContact CB-CG1 4.21Å; P29-I32 PolarHBondContact O-N 3.09Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.06Å; I32-L35 PolarHBondContact O-N 3.47Å; I32-C36 WeakPolarHBondContact O-CB 3.43Å; I32-C36 PolarHBondContact O-N 3.49Å
33C46.2Very low44.3Very low92 Ų92100.5 Ų100.562%0.62258%0.577SS**Hα-helixtrans-60.7-39.3173.1-96.10000113P29 F37P29-C33 PolarHBondContact O-N 2.76Å; P29-C33 VanDerWaalsContact O-N 3.15Å; C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 3.23Å
34F45.8Very low44.5Very low128 Ų128102.5 Ų102.556%0.56158%0.584SS**Hα-helixtrans-65.9-43.6178.9-165.7-96.6000111.9A30 I31 I32 F37 V38A30-F34 PolarHBondContact O-N 3.45Å; A30-F34 VanDerWaalsContact O-N 3.11Å; I31-F34 PolarHBondContact O-N 3.45Å; I32-F34 VanDerWaalsContact C-N 3.33Å; I32-F34 PolarHBondContact O-N 3.06Å; F34-F37 PolarHBondContact O-N 3.06Å; F34-V38 HydrophobicContact CD1-CG2 4.41Å; F34-V38 HydrophobicContact CE1-CG2 4.21Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 3.26Å; F34-V38 VanDerWaalsContact O-N 3.12Å
35L50.4Low45Very low115 Ų115106.6 Ų106.660%0.60259%0.591SS**Hα-helixtrans-66.9-40.8177.1-78.4160.3000112.5I31 I32 F37 V38 A39I31-L35 HydrophobicContact CG2-CD1 4.3Å; I31-L35 PolarHBondContact O-N 3.49Å; I31-L35 VanDerWaalsContact O-N 3.1Å; I32-L35 PolarHBondContact O-N 3.47Å; L35-F37 PolarHBondContact O-N 3.33Å; L35-V38 PolarHBondContact O-N 3.29Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.49Å
36C49.1Very low44.6Very low85 Ų85106 Ų10657%0.57459%0.585SS**Hα-helixtrans-65.8-35175.4-810000113.1I32 K40I32-C36 WeakPolarHBondContact O-CB 3.43Å; I32-C36 PolarHBondContact O-N 3.49Å; C36-K40 WeakPolarHBondContact O-CB 3.5Å; C36-K40 PolarHBondContact O-N 3.12Å
37F44.2Very low44.7Very low139 Ų139104.5 Ų104.561%0.6159%0.586SS**Hα-helixtrans-69.9-43.2177.8-172-98000111.8C33 F34 L35 K40 V41C33-F37 WeakPolarHBondContact O-CB 3.34Å; C33-F37 PolarHBondContact O-N 3.23Å; F34-F37 PolarHBondContact O-N 3.06Å; L35-F37 PolarHBondContact O-N 3.33Å; F37-K40 PolarHBondContact O-N 3.48Å; F37-V41 HydrophobicContact CE1-CG2 4.3Å; F37-V41 PolarHBondContact O-N 3.4Å
38V51.2Low44.4Very low70 Ų70108.2 Ų108.242%0.42461%0.613SS.*Hα-helixtrans-63.5-44.3176.8173.30000111F34 L35 K40 V41 T42F34-V38 HydrophobicContact CD1-CG2 4.41Å; F34-V38 HydrophobicContact CE1-CG2 4.21Å; F34-V38 WeakPolarHBondContact O-CG2 3.43Å; F34-V38 PolarHBondContact O-N 3.26Å; F34-V38 VanDerWaalsContact O-N 3.12Å; L35-V38 PolarHBondContact O-N 3.29Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.35Å; V38-V41 PolarHBondContact O-N 3.21Å; V38-T42 PolarHBondContact O-N 3.01Å; V38-T42 PolarHBondContact O-OG1 3.01Å; V38-T42 VanDerWaalsContact O-OG1 3.09Å
39A44.5Very low44.1Very low48 Ų48107.3 Ų107.340%0.39762%0.621SS.*Hα-helixtrans-62.5-33.9178.500000113.4L35 T42 L43L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.49Å; A39-T42 WeakPolarHBondContact CA-OG1 3.23Å; A39-T42 PolarHBondContact O-OG1 3.4Å; A39-T42 VanDerWaalsContact O-OG1 3.06Å; A39-L43 PolarHBondContact O-N 3.1Å
40K40.5Very low43.9Very low140 Ų140106.9 Ų106.961%0.60963%0.634SS**Hα-helixtrans-75.7-24.8-179.8-158.7171.7-179.779.20113.3C36 F37 V38C36-K40 WeakPolarHBondContact O-CB 3.5Å; C36-K40 PolarHBondContact O-N 3.12Å; F37-K40 PolarHBondContact O-N 3.48Å; V38-K40 VanDerWaalsContact C-N 3.3Å; V38-K40 PolarHBondContact O-N 3.35Å
41V44.6Very low43.3Very low95 Ų95114.8 Ų114.858%0.57665%0.652SS**Hα-helixtrans-80.1-35.6175.3170.20000111.3F37 V38F37-V41 HydrophobicContact CE1-CG2 4.3Å; F37-V41 PolarHBondContact O-N 3.4Å; V38-V41 PolarHBondContact O-N 3.21Å
42T40.9Very low42.7Very low105 Ų105121.8 Ų121.864%0.64468%0.679SS**Hα-helixtrans-74.1-23.3179.8400000114.6V38 A39V38-T42 PolarHBondContact O-N 3.01Å; V38-T42 PolarHBondContact O-OG1 3.01Å; V38-T42 VanDerWaalsContact O-OG1 3.09Å; A39-T42 WeakPolarHBondContact CA-OG1 3.23Å; A39-T42 PolarHBondContact O-OG1 3.4Å; A39-T42 VanDerWaalsContact O-OG1 3.06Å
43L39.9Very low41.9Very low150 Ų150125.2 Ų125.279%0.78569%0.693SS**THydrogen-bonded Turntrans-86.1-5.9179.9-82.1165.1000114.8A39A39-L43 PolarHBondContact O-N 3.1Å
44R37.6Very low41.5Very low200 Ų200132 Ų13276%0.75571%0.706SS**THydrogen-bonded Turntrans-97.613.8-174.4-90.4-167.9-172.6-162.31.5115.4
45N43.6Very low41.3Very low146 Ų146131.6 Ų131.678%0.78172%0.716SS**  trans-125.977.2-178.2-130.1-25.4000112.7
46P36.1Very low40.8Very low114 Ų114135 Ų13574%0.7473%0.729SS**  trans-87.2127.1152.132.7-24.7000108.7
47G42.7Very low40.6Very low78 Ų78136 Ų13680%0.80474%0.743SS**  trans-66.4170.8-164.600000117
48S34.7Very low40.3Very low123 Ų123132.9 Ų132.986%0.8675%0.75SS**  trans-118.9101.2163.9-176.90000108.2
49S38.3Very low40.2Very low111 Ų111136.8 Ų136.878%0.77678%0.775SS**  trans-62.1131.917152.20000110.3R51S49-R51 PolarHBondContact O-N 3.43Å
50G45.1Very low39.9Very low86 Ų86137.6 Ų137.689%0.88779%0.787SS**  trans-59.7127.7176.600000112.7
51R32Very low39.8Very low225 Ų225136.5 Ų136.585%0.84980%0.798SS**  trans-120.2115161.6-151.3-178.6-146.4-177.66.3107.7S49 E53S49-R51 PolarHBondContact O-N 3.43Å; R51-E53 PolarHBondContact O-N 3.15Å
52K37.1Very low39.8Very low213 Ų213143.5 Ų143.593%0.92681%0.814SS**  trans-87.2101.8178.9-157.1179.9-171.7-177.90106.8
53E35.2Very low40Very low167 Ų167146.4 Ų146.478%0.7883%0.825SS**PPolyproline II helixtrans-79135.9172.5-69.7-164166.200110.6R51R51-E53 PolarHBondContact O-N 3.15Å
54R37.4Very low40.3Very low233 Ų233142.9 Ų142.988%0.87983%0.825SS**PPolyproline II helixtrans-83.4135179-175.2-177.1-166.1165.42.7108.3E56R54-E56 PolarHBondContact O-N 3.5Å
55P42.3Very low40.7Very low121 Ų121142.9 Ų142.979%0.78682%0.824SS**PPolyproline II helixtrans-78.7126.5176.529.5-29.3000110.4
56E39.3Very low41Very low186 Ų186140.8 Ų140.887%0.86982%0.817SS**PPolyproline II helixtrans-61.7141.2166.6-77.5-71.3149.600110.7R54 G58R54-E56 PolarHBondContact O-N 3.5Å; E56-G58 PolarHBondContact O-N 3.29Å
57A46.6Very low41.4Very low105 Ų105145.4 Ų145.487%0.86882%0.82SS**  trans-73.8112.4179.700000110.2
58G37Very low41.7Very low74 Ų74147.8 Ų147.876%0.76381%0.814SS**  trans-121.5106.4172.500000110.8E56E56-G58 PolarHBondContact O-N 3.29Å
59T48.8Very low42.5Very low153 Ų153147.9 Ų147.994%0.93980%0.801SS**  trans-57.7123.5173.336.90000112.6
60G38.5Very low43.1Very low64 Ų64147 Ų14766%0.6679%0.791SS**  trans179.3101.6170.600000115.1
61S38.2Very low43.2Very low118 Ų118148.2 Ų148.283%0.82578%0.776SS**  trans31.1109.8155-167.80000119.9
62W44.6Very low43.9Very low241 Ų241143 Ų14391%0.91377%0.765SS**SBendtrans-93.223.7-175.9-84.796000116.2
63L46.2Very low44.4Very low167 Ų167136.6 Ų136.687%0.87474%0.744SS**SBendtrans-124.115.7-165.3-101.9148.7000118.1
64G45.2Very low44.8Very low76 Ų76134.3 Ų134.378%0.78474%0.736SS**SBendtrans-139.5-6-176.600000119.5
65R45.7Very low45.2Very low199 Ų199126.3 Ų126.375%0.75172%0.72SS**SBendtrans-110.9-2.4-164.2-159.1171.7-76.1144.3-4.4116.4
66T50.3Low45.3Very low102 Ų102126.5 Ų126.563%0.62671%0.714SS**Hα-helixtrans-92.7-9.3-163.445.70000117V70T66-V70 WeakPolarHBondContact O-CG2 3.32Å
67R45.1Very low45.6Very low211 Ų211124.4 Ų124.480%0.79670%0.704SS**Hα-helixtrans-94.7-40178.9-78.7-175.1179.3156.70.7114.8I71R67-I71 WeakPolarHBondContact O-CG1 3.5Å
68N48.2Very low45.6Very low128 Ų128127 Ų12768%0.68470%0.698SS**Hα-helixtrans-79.2-21-178.1-67.7-9.3000113.3N72N68-N72 WeakPolarHBondContact O-CB 3.37Å; N68-N72 PolarHBondContact O-N 3.01Å; N68-N72 PolarHBondContact O-ND2 3.3Å
69Q50.6Low45.9Very low125 Ų125132 Ų13258%0.58470%0.701SS**Hα-helixtrans-73.9-40.8176-120.61732.600111.9T73Q69-T73 PolarHBondContact O-N 2.86Å; Q69-T73 PolarHBondContact O-OG1 3.12Å
70V51.1Low45.7Very low94 Ų94135.4 Ų135.457%0.5770%0.697SS**Hα-helixtrans-70.4-38.6-177.4178.20000111.9T66 T73 L74T66-V70 WeakPolarHBondContact O-CG2 3.32Å; V70-T73 WeakPolarHBondContact CA-OG1 3.26Å; V70-T73 PolarHBondContact O-N 2.94Å; V70-T73 PolarHBondContact O-OG1 3.31Å; V70-L74 WeakPolarHBondContact O-CB 3.1Å; V70-L74 PolarHBondContact O-N 3.19Å
71I47.9Very low45.9Very low110 Ų110134.3 Ų134.356%0.56469%0.686SS**Hα-helixtrans-70-39178.7-60.5171.4000110.7R67 L74 A75R67-I71 WeakPolarHBondContact O-CG1 3.5Å; I71-L74 PolarHBondContact O-N 3.11Å; I71-A75 WeakPolarHBondContact O-CB 3.45Å; I71-A75 PolarHBondContact O-N 3.31Å
72N47.6Very low46.3Very low117 Ų117135.3 Ų135.363%0.62669%0.687SS**Hα-helixtrans-72.3-33175.6-73.8-12.9000112.8N68 D76N68-N72 WeakPolarHBondContact O-CB 3.37Å; N68-N72 PolarHBondContact O-N 3.01Å; N68-N72 PolarHBondContact O-ND2 3.3Å; N72-D76 VanDerWaalsContact O-CB 3.28Å; N72-D76 WeakPolarHBondContact O-CB 3.19Å; N72-D76 PolarHBondContact O-N 2.93Å; N72-D76 VanDerWaalsContact O-N 3.12Å
73T47.5Very low46.3Very low78 Ų78130.5 Ų130.548%0.47968%0.679SS.*Hα-helixtrans-70.9-34173.320.40000112.5Q69 V70 H77Q69-T73 PolarHBondContact O-N 2.86Å; Q69-T73 PolarHBondContact O-OG1 3.12Å; V70-T73 WeakPolarHBondContact CA-OG1 3.26Å; V70-T73 PolarHBondContact O-N 2.94Å; V70-T73 PolarHBondContact O-OG1 3.31Å; T73-H77 PolarHBondContact O-N 3.47Å; T73-H77 PolarHBondContact O-ND1 3.09Å; T73-H77 VanDerWaalsContact O-ND1 3.13Å
74L42.8Very low46Very low119 Ų119131.2 Ų131.262%0.62368%0.676SS**Hα-helixtrans-72.8-37.8177.6-16572.4000112.2V70 I71 H77V70-L74 WeakPolarHBondContact O-CB 3.1Å; V70-L74 PolarHBondContact O-N 3.19Å; I71-L74 PolarHBondContact O-N 3.11Å; L74-H77 PolarHBondContact O-N 3.46Å
75A45.5Very low46.3Very low64 Ų64131 Ų13153%0.52967%0.674SS.*Hα-helixtrans-69.4-34.3175.500000112.7I71 H77I71-A75 WeakPolarHBondContact O-CB 3.45Å; I71-A75 PolarHBondContact O-N 3.31Å; A75-H77 VanDerWaalsContact C-N 3.26Å; A75-H77 PolarHBondContact O-N 2.91Å
76D44.5Very low46.4Very low126 Ų126124.6 Ų124.667%0.67467%0.669SS**Hα-helixtrans-74.8-15.6179.6-155.240.6000113N72N72-D76 VanDerWaalsContact O-CB 3.28Å; N72-D76 WeakPolarHBondContact O-CB 3.19Å; N72-D76 PolarHBondContact O-N 2.93Å; N72-D76 VanDerWaalsContact O-N 3.12Å
77H46.8Very low46.6Very low142 Ų142122.5 Ų122.566%0.65766%0.659SS**THydrogen-bonded Turntrans-88.6-13.6179.2-79.231.2000114.5T73 L74 A75T73-H77 PolarHBondContact O-N 3.47Å; T73-H77 PolarHBondContact O-ND1 3.09Å; T73-H77 VanDerWaalsContact O-ND1 3.13Å; L74-H77 PolarHBondContact O-N 3.46Å; A75-H77 VanDerWaalsContact C-N 3.26Å; A75-H77 PolarHBondContact O-N 2.91Å
78H45.8Very low47.3Very low160 Ų160117 Ų11774%0.74165%0.65SS**SBendtrans-981.5-176.4-91.1-74.8000115.2
79H43.1Very low47.6Very low177 Ų177119.9 Ų119.982%0.81965%0.651SS**  trans-117.115.2178.1-96.9-53.7000116.4G81H79-G81 PolarHBondContact O-N 3.41Å
80R45.5Very low48.1Very low225 Ų225117.3 Ų117.385%0.84964%0.642SS**  trans-78.969.6167-91.5-175.8167.1178.4-1.5111.5T82R80-T82 PolarHBondContact O-N 2.92Å
81G42.7Very low48.6Very low42 Ų42119.4 Ų119.443%0.43365%0.645SS.*  trans-60.7119.8157.400000109H79 D83H79-G81 PolarHBondContact O-N 3.41Å; G81-D83 VanDerWaalsContact C-N 3.3Å; G81-D83 PolarHBondContact O-N 3.04Å
82T45.7Very low49.3Very low139 Ų139117.9 Ų117.985%0.85364%0.64SS**SBendtrans48.128.4146.150.40000120R80 F84R80-T82 PolarHBondContact O-N 2.92Å; T82-F84 VanDerWaalsContact C-N 3.27Å; T82-F84 PolarHBondContact O-N 3.09Å; T82-F84 VanDerWaalsContact O-N 3.14Å
83D44.4Very low50Low140 Ų140116.8 Ų116.875%0.74963%0.634SS**  trans-9047.2175.8-66.8-30.5000113.5G81 G85G81-D83 VanDerWaalsContact C-N 3.3Å; G81-D83 PolarHBondContact O-N 3.04Å; D83-G85 PolarHBondContact O-N 2.91Å
84F41.2Very low50.7Low182 Ų182118.6 Ų118.680%0.79864%0.639SS**  trans-81.320.7154.8-86.7-80.9000111.5T82 G86 L90T82-F84 VanDerWaalsContact C-N 3.27Å; T82-F84 PolarHBondContact O-N 3.09Å; T82-F84 VanDerWaalsContact O-N 3.14Å; F84-G86 PolarHBondContact O-N 3.42Å; F84-G86 VanDerWaalsContact O-N 3.08Å; F84-L90 HydrophobicContact CB-CD1 4.22Å; F84-L90 WeakPolarHBondContact O-CD1 3.32Å
85G49.7Very low51.4Low72 Ų72115.4 Ų115.474%0.74263%0.63SS**THydrogen-bonded Turntrans-81.551.4176.900000113.7D83D83-G85 PolarHBondContact O-N 2.91Å
86G49.5Very low52Low64 Ų64118.5 Ų118.566%0.6663%0.632SS**THydrogen-bonded Turntrans-160.6-2.1178.900000117.3F84 P88F84-G86 PolarHBondContact O-N 3.42Å; F84-G86 VanDerWaalsContact O-N 3.08Å; G86-P88 VanDerWaalsContact O-CD 3.29Å; G86-P88 WeakPolarHBondContact O-CD 3.44Å
87S54.1Low52.8Low57 Ų57114.7 Ų114.740%0.39961%0.614SS.*  trans-85.8115.5177.5-158.40000109.3W89 L90S87-W89 PolarHBondContact O-N 3.42Å; S87-L90 PolarHBondContact O-N 2.93Å
88P59.3Low53.4Low95 Ų95111.9 Ų111.962%0.61761%0.607SS**Hα-helixtrans-53.8-25.2178.6-25.534.7000112.6G86 H91 V92G86-P88 VanDerWaalsContact O-CD 3.29Å; G86-P88 WeakPolarHBondContact O-CD 3.44Å; P88-H91 PolarHBondContact O-N 2.93Å; P88-V92 VanDerWaalsContact O-CG2 3.31Å; P88-V92 WeakPolarHBondContact O-CG2 3.47Å; P88-V92 PolarHBondContact O-N 3.34Å; P88-V92 VanDerWaalsContact O-N 3.09Å
89W55.7Low54.3Low189 Ų189107.6 Ų107.672%0.71659%0.594SS**Hα-helixtrans-63-35.5175-91.679.7000114.5S87 V92 I93S87-W89 PolarHBondContact O-N 3.42Å; W89-V92 PolarHBondContact O-N 2.96Å; W89-I93 HydrophobicContact CE3-CD1 4.25Å; W89-I93 WeakPolarHBondContact O-CB 3.28Å; W89-I93 WeakPolarHBondContact O-CD1 3.29Å; W89-I93 WeakPolarHBondContact O-CG1 3.35Å; W89-I93 PolarHBondContact O-N 3.05Å
90L61.1Low55.8Low72 Ų72104.3 Ų104.338%0.37758%0.576SS.*Hα-helixtrans-71.8-37.6178.6-74.6170.6000111.6F84 S87 V92 I93 I94F84-L90 HydrophobicContact CB-CD1 4.22Å; F84-L90 WeakPolarHBondContact O-CD1 3.32Å; S87-L90 PolarHBondContact O-N 2.93Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 3.47Å; L90-I93 PolarHBondContact O-N 3.29Å; L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.5Å
91H61Low57.2Low137 Ų13799.5 Ų99.563%0.63456%0.561SS**Hα-helixtrans-62.3-40.6170.8-78-79.9000111.5P88 I94 A95P88-H91 PolarHBondContact O-N 2.93Å; H91-I94 PolarHBondContact O-N 3.27Å; H91-A95 WeakPolarHBondContact O-CA 3.17Å; H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.01Å
92V63Low58.6Low78 Ų78101.3 Ų101.347%0.47356%0.563SS.*Hα-helixtrans-64-45.3174174.20000110.9P88 W89 L90 I94 F96P88-V92 VanDerWaalsContact O-CG2 3.31Å; P88-V92 WeakPolarHBondContact O-CG2 3.47Å; P88-V92 PolarHBondContact O-N 3.34Å; P88-V92 VanDerWaalsContact O-N 3.09Å; W89-V92 PolarHBondContact O-N 2.96Å; L90-V92 VanDerWaalsContact C-N 3.32Å; L90-V92 PolarHBondContact O-N 3.47Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 PolarHBondContact O-N 2.91Å; V92-F96 WeakPolarHBondContact O-CB 3.34Å; V92-F96 PolarHBondContact O-N 3.43Å
93I61.9Low60Low95 Ų9599.2 Ų99.249%0.48755%0.55SS.*Hα-helixtrans-66.1-29.7-179.2-68161.1000112.6W89 L90 P97W89-I93 HydrophobicContact CE3-CD1 4.25Å; W89-I93 WeakPolarHBondContact O-CB 3.28Å; W89-I93 WeakPolarHBondContact O-CD1 3.29Å; W89-I93 WeakPolarHBondContact O-CG1 3.35Å; W89-I93 PolarHBondContact O-N 3.05Å; L90-I93 PolarHBondContact O-N 3.29Å; I93-P97 WeakPolarHBondContact O-CD 3.31Å; I93-P97 WeakPolarHBondContact O-CG 3.37Å
94I61.8Low61.7Low116 Ų11696.5 Ų96.560%0.59554%0.535SS*.Hα-helixtrans-91.4-38.6179.1-62.8168.3000111.9L90 H91 V92 P97 T98L90-I94 WeakPolarHBondContact O-CG1 3.39Å; L90-I94 PolarHBondContact O-N 3.5Å; H91-I94 PolarHBondContact O-N 3.27Å; V92-I94 VanDerWaalsContact C-N 3.31Å; V92-I94 PolarHBondContact O-N 2.91Å; I94-P97 WeakPolarHBondContact O-CD 3.39Å; I94-T98 PolarHBondContact O-OG1 2.85Å
95A58Low63.3Low51 Ų5192.2 Ų92.242%0.42152%0.524SS..Hα-helixtrans-73.3-38.7179.600000111.8H91 T98 S99H91-A95 WeakPolarHBondContact O-CA 3.17Å; H91-A95 WeakPolarHBondContact O-CB 3.44Å; H91-A95 PolarHBondContact O-N 3.01Å; A95-T98 PolarHBondContact O-N 2.88Å; A95-T98 VanDerWaalsContact O-N 3.08Å; A95-S99 WeakPolarHBondContact O-CB 3.43Å; A95-S99 PolarHBondContact O-N 3.37Å; A95-S99 PolarHBondContact O-OG 3.2Å; A95-S99 VanDerWaalsContact O-OG 3.08Å
96F57.3Low64.8Low130 Ų13094.2 Ų94.257%0.5752%0.517SS*.Hα-helixtrans-60.7-41.3-178.3-168.4-91000112.8V92 T98 Y100V92-F96 WeakPolarHBondContact O-CB 3.34Å; V92-F96 PolarHBondContact O-N 3.43Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 3.5Å; F96-Y100 WeakPolarHBondContact O-CD1 3.38Å; F96-Y100 PolarHBondContact O-N 3.46Å
97P61.3Low66.2Low46 Ų4699.2 Ų99.230%0.29952%0.516SS..Hα-helixtrans-58.8-42170.7-29.636.5000115I93 I94 Y100 K101I93-P97 WeakPolarHBondContact O-CD 3.31Å; I93-P97 WeakPolarHBondContact O-CG 3.37Å; I94-P97 WeakPolarHBondContact O-CD 3.39Å; P97-Y100 HydrophobicContact CB-CD1 4.27Å; P97-Y100 HydrophobicContact CB-CE1 3.79Å; P97-Y100 WeakPolarHBondContact O-CD1 3.39Å; P97-Y100 VanDerWaalsContact O-CE1 3.22Å; P97-Y100 WeakPolarHBondContact O-CE1 3.46Å; P97-K101 VanDerWaalsContact O-CG 3.31Å; P97-K101 WeakPolarHBondContact O-CG 3.17Å; P97-K101 PolarHBondContact O-N 3.35Å
98T60.3Low67.6Low83 Ų83101.2 Ų101.251%0.50952%0.521SS..Hα-helixtrans-72.4-43-175.7-52.10000109.9I94 A95 F96 K101 V102I94-T98 PolarHBondContact O-OG1 2.85Å; A95-T98 PolarHBondContact O-N 2.88Å; A95-T98 VanDerWaalsContact O-N 3.08Å; F96-T98 VanDerWaalsContact C-N 3.33Å; F96-T98 PolarHBondContact O-N 3.5Å; T98-K101 PolarHBondContact O-N 2.92Å; T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.22Å; T98-V102 PolarHBondContact O-N 2.93Å; T98-V102 VanDerWaalsContact O-N 3.12Å
99S64.8Low68.8Low69 Ų6999.1 Ų99.148%0.48351%0.512SS..Hα-helixtrans-65.1-43.8176.2-59.70000112.5A95 K101 V102 V103A95-S99 WeakPolarHBondContact O-CB 3.43Å; A95-S99 PolarHBondContact O-N 3.37Å; A95-S99 PolarHBondContact O-OG 3.2Å; A95-S99 VanDerWaalsContact O-OG 3.08Å; S99-K101 VanDerWaalsContact C-N 3.3Å; S99-K101 PolarHBondContact O-N 3.49Å; S99-V102 PolarHBondContact O-N 3.31Å; S99-V103 WeakPolarHBondContact O-CG2 3.32Å; S99-V103 PolarHBondContact O-N 3.09Å
100Y73.9Confident70.1Confident108 Ų10897.9 Ų97.942%0.42451%0.508SS..Hα-helixtrans-63.7-39.1178.188.5-113000111.2F96 P97 V102 V103 I104F96-Y100 WeakPolarHBondContact O-CD1 3.38Å; F96-Y100 PolarHBondContact O-N 3.46Å; P97-Y100 HydrophobicContact CB-CD1 4.27Å; P97-Y100 HydrophobicContact CB-CE1 3.79Å; P97-Y100 WeakPolarHBondContact O-CD1 3.39Å; P97-Y100 VanDerWaalsContact O-CE1 3.22Å; P97-Y100 WeakPolarHBondContact O-CE1 3.46Å; Y100-V102 VanDerWaalsContact C-N 3.31Å; Y100-V102 PolarHBondContact O-N 2.82Å; Y100-V103 PolarHBondContact O-N 3.29Å; Y100-I104 HydrophobicContact CD2-CD1 3.63Å; Y100-I104 HydrophobicContact CD2-CG1 4.47Å; Y100-I104 HydrophobicContact CE2-CD1 4.2Å; Y100-I104 WeakPolarHBondContact O-CB 3.02Å; Y100-I104 VanDerWaalsContact O-CG1 3.26Å; Y100-I104 WeakPolarHBondContact O-CG1 3.02Å; Y100-I104 PolarHBondContact O-N 3.08Å
101K73.9Confident71.2Confident125 Ų12598.4 Ų98.454%0.54351%0.511SS..Hα-helixtrans-62.7-41.3178.4-77.2-177179.3178.60111.2P97 T98 S99 T105P97-K101 VanDerWaalsContact O-CG 3.31Å; P97-K101 WeakPolarHBondContact O-CG 3.17Å; P97-K101 PolarHBondContact O-N 3.35Å; T98-K101 PolarHBondContact O-N 2.92Å; S99-K101 VanDerWaalsContact C-N 3.3Å; S99-K101 PolarHBondContact O-N 3.49Å; K101-T105 VanDerWaalsContact O-CB 3.29Å; K101-T105 WeakPolarHBondContact O-CB 3.39Å; K101-T105 PolarHBondContact O-N 3.48Å; K101-T105 PolarHBondContact O-OG1 3.33Å
102V72.1Confident72.1Confident79 Ų79100.2 Ų100.248%0.47951%0.512SS..Hα-helixtrans-64.6-46.8176.71730000110.7T98 S99 Y100 T105 L106T98-V102 VanDerWaalsContact O-CG2 3.3Å; T98-V102 WeakPolarHBondContact O-CG2 3.22Å; T98-V102 PolarHBondContact O-N 2.93Å; T98-V102 VanDerWaalsContact O-N 3.12Å; S99-V102 PolarHBondContact O-N 3.31Å; Y100-V102 VanDerWaalsContact C-N 3.31Å; Y100-V102 PolarHBondContact O-N 2.82Å; V102-T105 PolarHBondContact O-N 2.84Å; V102-L106 HydrophobicContact CG1-CD1 3.86Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.33Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.96Å
103V75.9Confident72.9Confident95 Ų95100.9 Ų100.958%0.57652%0.516SS*.Hα-helixtrans-63.3-44.9179.6173.80000111.8S99 Y100 T105 L106 W107S99-V103 WeakPolarHBondContact O-CG2 3.32Å; S99-V103 PolarHBondContact O-N 3.09Å; Y100-V103 PolarHBondContact O-N 3.29Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 2.88Å; V103-L106 PolarHBondContact O-N 3.45Å; V103-W107 WeakPolarHBondContact O-CB 3.4Å; V103-W107 PolarHBondContact O-N 3Å
104I79.6Confident73.6Confident84 Ų8498.3 Ų98.343%0.43151%0.507SS..Hα-helixtrans-62.6-42.5176.8-68.6177.3000110.5Y100 W107 I108Y100-I104 HydrophobicContact CD2-CD1 3.63Å; Y100-I104 HydrophobicContact CD2-CG1 4.47Å; Y100-I104 HydrophobicContact CE2-CD1 4.2Å; Y100-I104 WeakPolarHBondContact O-CB 3.02Å; Y100-I104 VanDerWaalsContact O-CG1 3.26Å; Y100-I104 WeakPolarHBondContact O-CG1 3.02Å; Y100-I104 PolarHBondContact O-N 3.08Å; I104-W107 PolarHBondContact O-N 3.08Å; I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CB 2.82Å; I104-I108 VanDerWaalsContact O-CG1 3.24Å; I104-I108 WeakPolarHBondContact O-CG1 2.96Å; I104-I108 PolarHBondContact O-N 3.32Å
105T75.9Confident74.3Confident92 Ų9297.4 Ų97.456%0.56450%0.502SS*.Hα-helixtrans-64.3-43.2179.2-56.70000111.3K101 V102 V103 I108 A109K101-T105 VanDerWaalsContact O-CB 3.29Å; K101-T105 WeakPolarHBondContact O-CB 3.39Å; K101-T105 PolarHBondContact O-N 3.48Å; K101-T105 PolarHBondContact O-OG1 3.33Å; V102-T105 PolarHBondContact O-N 2.84Å; V103-T105 VanDerWaalsContact C-N 3.32Å; V103-T105 PolarHBondContact O-N 2.88Å; T105-I108 PolarHBondContact O-N 2.97Å; T105-A109 WeakPolarHBondContact O-CB 3.5Å; T105-A109 PolarHBondContact O-N 3.44Å
106L79.9Confident75.3Confident114 Ų11498.9 Ų98.960%0.59750%0.503SS*.Hα-helixtrans-63.9-41.3175.3-72.6171.1000111.9V102 V103 A109 Y110V102-L106 HydrophobicContact CG1-CD1 3.86Å; V102-L106 HydrophobicContact CG1-CG 4.41Å; V102-L106 WeakPolarHBondContact O-CB 3.33Å; V102-L106 VanDerWaalsContact O-CG 3.32Å; V102-L106 WeakPolarHBondContact O-CG 3.46Å; V102-L106 PolarHBondContact O-N 2.96Å; V103-L106 PolarHBondContact O-N 3.45Å; L106-A109 PolarHBondContact O-N 2.91Å; L106-Y110 VanDerWaalsContact O-CB 3.31Å; L106-Y110 WeakPolarHBondContact O-CB 3.44Å; L106-Y110 PolarHBondContact O-N 3.42Å
107W78.9Confident75.9Confident169 Ų169100.1 Ų100.164%0.6451%0.508SS*.Hα-helixtrans-64.1-43.1177-172.762.3000112.1V103 I104 Y110 L111V103-W107 WeakPolarHBondContact O-CB 3.4Å; V103-W107 PolarHBondContact O-N 3Å; I104-W107 PolarHBondContact O-N 3.08Å; W107-Y110 PolarHBondContact O-N 3.38Å; W107-L111 HydrophobicContact CD2-CD1 3.6Å; W107-L111 VanDerWaalsContact CE2-CD1 3.44Å; W107-L111 HydrophobicContact CE3-CD1 3.88Å; W107-L111 HydrophobicContact CG-CD1 4.21Å; W107-L111 HydrophobicContact CH2-CD1 3.9Å; W107-L111 HydrophobicContact CZ2-CD1 3.62Å; W107-L111 HydrophobicContact CZ3-CD1 4.02Å; W107-L111 WeakPolarHBondContact O-CB 3.42Å; W107-L111 PolarHBondContact O-N 2.95Å
108I84.2Confident76.2Confident99 Ų99102.3 Ų102.351%0.50852%0.521SS..Hα-helixtrans-63-46.1175.2-68.9168.3000110.7I104 T105 Y110 L111 W112I104-I108 HydrophobicContact CG2-CD1 3.69Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CB 2.82Å; I104-I108 VanDerWaalsContact O-CG1 3.24Å; I104-I108 WeakPolarHBondContact O-CG1 2.96Å; I104-I108 PolarHBondContact O-N 3.32Å; T105-I108 PolarHBondContact O-N 2.97Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.44Å; I108-L111 PolarHBondContact O-N 3.47Å; I108-W112 WeakPolarHBondContact O-CB 3.47Å; I108-W112 PolarHBondContact O-N 3.08Å
109A84.8Confident76.6Confident51 Ų51102.6 Ų102.642%0.42152%0.518SS..Hα-helixtrans-61.2-42.6177.900000111.5T105 L106 W112 V113T105-A109 WeakPolarHBondContact O-CB 3.5Å; T105-A109 PolarHBondContact O-N 3.44Å; L106-A109 PolarHBondContact O-N 2.91Å; A109-W112 PolarHBondContact O-N 3.45Å; A109-V113 VanDerWaalsContact O-CG2 3.31Å; A109-V113 WeakPolarHBondContact O-CG2 3.15Å; A109-V113 PolarHBondContact O-N 3.42Å
110Y82.6Confident76.4Confident162 Ų162105.8 Ų105.864%0.63552%0.524SS*.Hα-helixtrans-64.6-45.6177.7-179.3-100.1000112.4L106 W107 I108 W112 V113 S114L106-Y110 VanDerWaalsContact O-CB 3.31Å; L106-Y110 WeakPolarHBondContact O-CB 3.44Å; L106-Y110 PolarHBondContact O-N 3.42Å; W107-Y110 PolarHBondContact O-N 3.38Å; I108-Y110 VanDerWaalsContact C-N 3.33Å; I108-Y110 PolarHBondContact O-N 3.44Å; Y110-W112 VanDerWaalsContact C-N 3.26Å; Y110-W112 PolarHBondContact O-N 3.42Å; Y110-V113 PolarHBondContact O-N 3.03Å; Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.26Å; Y110-S114 PolarHBondContact O-N 3.34Å; Y110-S114 PolarHBondContact O-OG 3.26Å
111L83.2Confident75.4Confident84 Ų84111.1 Ų111.144%0.4454%0.543SS..Hα-helixtrans-57.8-41.4173.4-91.2155.7000111.4W107 I108 S114 L115W107-L111 HydrophobicContact CD2-CD1 3.6Å; W107-L111 VanDerWaalsContact CE2-CD1 3.44Å; W107-L111 HydrophobicContact CE3-CD1 3.88Å; W107-L111 HydrophobicContact CG-CD1 4.21Å; W107-L111 HydrophobicContact CH2-CD1 3.9Å; W107-L111 HydrophobicContact CZ2-CD1 3.62Å; W107-L111 HydrophobicContact CZ3-CD1 4.02Å; W107-L111 WeakPolarHBondContact O-CB 3.42Å; W107-L111 PolarHBondContact O-N 2.95Å; I108-L111 PolarHBondContact O-N 3.47Å; L111-S114 PolarHBondContact O-N 2.87Å; L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.38Å
112W81.3Confident74.4Confident175 Ų175108.6 Ų108.666%0.66354%0.541SS*.Hα-helixtrans-68.8-45.7-179.8-151.360.9000111.9I108 A109 Y110 S114 L115 L116I108-W112 WeakPolarHBondContact O-CB 3.47Å; I108-W112 PolarHBondContact O-N 3.08Å; A109-W112 PolarHBondContact O-N 3.45Å; Y110-W112 VanDerWaalsContact C-N 3.26Å; Y110-W112 PolarHBondContact O-N 3.42Å; W112-S114 VanDerWaalsContact C-N 3.31Å; W112-S114 PolarHBondContact O-N 2.91Å; W112-L115 PolarHBondContact O-N 2.78Å; W112-L116 HydrophobicContact CD2-CD1 3.47Å; W112-L116 VanDerWaalsContact CD2-CD1 3.47Å; W112-L116 HydrophobicContact CE3-CD1 3.31Å; W112-L116 HydrophobicContact CG-CD1 4.11Å; W112-L116 HydrophobicContact CH2-CD1 3.95Å; W112-L116 HydrophobicContact CZ2-CD1 4.09Å; W112-L116 HydrophobicContact CZ3-CD1 3.57Å; W112-L116 WeakPolarHBondContact O-CB 3.38Å; W112-L116 WeakPolarHBondContact O-CD1 3.31Å; W112-L116 PolarHBondContact O-N 3.36Å
113V79.6Confident73.3Confident91 Ų91113.5 Ų113.555%0.55255%0.551SS**Hα-helixtrans-61.9-40.1175.6172.20000111.2A109 Y110 L116 K117A109-V113 VanDerWaalsContact O-CG2 3.31Å; A109-V113 WeakPolarHBondContact O-CG2 3.15Å; A109-V113 PolarHBondContact O-N 3.42Å; Y110-V113 PolarHBondContact O-N 3.03Å; V113-L116 PolarHBondContact O-N 2.88Å; V113-K117 VanDerWaalsContact O-CB 3.26Å; V113-K117 WeakPolarHBondContact O-CB 3.24Å; V113-K117 PolarHBondContact O-N 3.37Å
114S77.1Confident72Confident42 Ų42114 Ų11429%0.29455%0.551SS.*Hα-helixtrans-64.6-45177-59.70000111.3Y110 L111 W112 K117 T118Y110-S114 VanDerWaalsContact O-CB 3.3Å; Y110-S114 WeakPolarHBondContact O-CB 3.26Å; Y110-S114 PolarHBondContact O-N 3.34Å; Y110-S114 PolarHBondContact O-OG 3.26Å; L111-S114 PolarHBondContact O-N 2.87Å; W112-S114 VanDerWaalsContact C-N 3.31Å; W112-S114 PolarHBondContact O-N 2.91Å; S114-K117 PolarHBondContact O-N 3.39Å; S114-T118 WeakPolarHBondContact O-CG2 3.32Å; S114-T118 PolarHBondContact O-N 3.49Å
115L76Confident70.6Confident96 Ų96112.9 Ų112.950%0.50356%0.559SS.*Hα-helixtrans-64.5-45175.9-167.3118.6000111.7L111 W112 K117 T118 I119L111-L115 VanDerWaalsContact O-CB 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 PolarHBondContact O-N 3.38Å; W112-L115 PolarHBondContact O-N 2.78Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 2.9Å; L115-T118 PolarHBondContact O-N 3.44Å; L115-T118 PolarHBondContact O-OG1 2.84Å; L115-I119 HydrophobicContact CD2-CD1 3.65Å; L115-I119 HydrophobicContact CG-CD1 4.16Å; L115-I119 WeakPolarHBondContact O-CG1 3.31Å; L115-I119 PolarHBondContact O-N 3.38Å
116L78.1Confident69.5Low82 Ų82113.8 Ų113.843%0.42956%0.557SS.*Hα-helixtrans-58.2-42.3173.8-92.4141.3000111.9W112 V113 I119 F120W112-L116 HydrophobicContact CD2-CD1 3.47Å; W112-L116 VanDerWaalsContact CD2-CD1 3.47Å; W112-L116 HydrophobicContact CE3-CD1 3.31Å; W112-L116 HydrophobicContact CG-CD1 4.11Å; W112-L116 HydrophobicContact CH2-CD1 3.95Å; W112-L116 HydrophobicContact CZ2-CD1 4.09Å; W112-L116 HydrophobicContact CZ3-CD1 3.57Å; W112-L116 WeakPolarHBondContact O-CB 3.38Å; W112-L116 WeakPolarHBondContact O-CD1 3.31Å; W112-L116 PolarHBondContact O-N 3.36Å; V113-L116 PolarHBondContact O-N 2.88Å; L116-I119 PolarHBondContact O-N 3.44Å; L116-F120 WeakPolarHBondContact O-CB 3.4Å; L116-F120 PolarHBondContact O-N 2.93Å
117K71.2Confident68Low156 Ų156114.9 Ų114.968%0.67856%0.564SS**Hα-helixtrans-64-43.1177.6-171.2162.5174.9143.40111.6V113 S114 L115 F120 W121V113-K117 VanDerWaalsContact O-CB 3.26Å; V113-K117 WeakPolarHBondContact O-CB 3.24Å; V113-K117 PolarHBondContact O-N 3.37Å; S114-K117 PolarHBondContact O-N 3.39Å; L115-K117 VanDerWaalsContact C-N 3.3Å; L115-K117 PolarHBondContact O-N 2.9Å; K117-F120 PolarHBondContact O-N 3.26Å; K117-W121 WeakPolarHBondContact O-CB 3.27Å; K117-W121 PolarHBondContact O-N 3.29Å
118T67.4Low66.9Low92 Ų92109.5 Ų109.556%0.56456%0.561SS**Hα-helixtrans-63.8-40.6175.160.10000113S114 L115 S122S114-T118 WeakPolarHBondContact O-CG2 3.32Å; S114-T118 PolarHBondContact O-N 3.49Å; L115-T118 PolarHBondContact O-N 3.44Å; L115-T118 PolarHBondContact O-OG1 2.84Å; T118-S122 PolarHBondContact O-N 3.4Å; T118-S122 VanDerWaalsContact O-N 3.09Å
119I68.6Low65.4Low89 Ų89107.8 Ų107.846%0.45656%0.557SS.*Hα-helixtrans-67.2-43.8178.4-67.3168.2000110.7L115 L116 S122 R123L115-I119 HydrophobicContact CD2-CD1 3.65Å; L115-I119 HydrophobicContact CG-CD1 4.16Å; L115-I119 WeakPolarHBondContact O-CG1 3.31Å; L115-I119 PolarHBondContact O-N 3.38Å; L116-I119 PolarHBondContact O-N 3.44Å; I119-S122 PolarHBondContact O-N 2.99Å; I119-S122 PolarHBondContact O-OG 3.09Å; I119-R123 PolarHBondContact O-N 2.72Å; I119-R123 VanDerWaalsContact O-N 3.1Å
120F60.2Low64.1Low136 Ų136108.6 Ų108.660%0.59656%0.557SS**Hα-helixtrans-68.7-37.6-177.8-157.1-102.3000112.1L116 K117 R123 N124L116-F120 WeakPolarHBondContact O-CB 3.4Å; L116-F120 PolarHBondContact O-N 2.93Å; K117-F120 PolarHBondContact O-N 3.26Å; F120-R123 PolarHBondContact O-N 3.25Å; F120-N124 WeakPolarHBondContact CE1-ND2 3.46Å; F120-N124 PolarHBondContact O-N 2.98Å
121W53.3Low63Low220 Ų220104.7 Ų104.783%0.83355%0.548SS*.Hα-helixtrans-64.7-38.7171.8-127.844.4000112.2K117 R123 G125K117-W121 WeakPolarHBondContact O-CB 3.27Å; K117-W121 PolarHBondContact O-N 3.29Å; W121-R123 PolarHBondContact O-N 3.35Å; W121-G125 PolarHBondContact O-N 2.86Å
122S53.2Low61.9Low72 Ų72105.5 Ų105.550%0.50356%0.556SS.*Hα-helixtrans-67.7-23.2175.686.80000113.5T118 I119 H126T118-S122 PolarHBondContact O-N 3.4Å; T118-S122 VanDerWaalsContact O-N 3.09Å; I119-S122 PolarHBondContact O-N 2.99Å; I119-S122 PolarHBondContact O-OG 3.09Å; S122-H126 PolarHBondContact O-CD2 3.3Å
123R48Very low60.7Low183 Ų183104 Ų10469%0.69156%0.556SS**Hα-helixtrans-92.3-33.7-176.9-165.5152.1172.7168.6-6.4113.1I119 F120 W121I119-R123 PolarHBondContact O-N 2.72Å; I119-R123 VanDerWaalsContact O-N 3.1Å; F120-R123 PolarHBondContact O-N 3.25Å; W121-R123 PolarHBondContact O-N 3.35Å
124N49.6Very low59.7Low105 Ų105104.8 Ų104.856%0.56155%0.554SS**Hα-helixtrans-83.1-15.4179.6-74.67000114.2F120F120-N124 WeakPolarHBondContact CE1-ND2 3.46Å; F120-N124 PolarHBondContact O-N 2.98Å
125G50.3Low59Low60 Ų60110.8 Ų110.862%0.61957%0.57SS**THydrogen-bonded Turntrans-91.9-7.417800000115.6W121W121-G125 PolarHBondContact O-N 2.86Å
126H51.3Low58.2Low111 Ų111108.8 Ų108.851%0.51457%0.567SS.*SBendtrans-104.4-7.4-166.8-98.2-36.8000116.4S122 T130S122-H126 PolarHBondContact O-CD2 3.3Å; H126-T130 PolarHBondContact O-OG1 3.32Å
127D50.4Low57.3Low137 Ų137112.2 Ų112.273%0.73358%0.575SS**THydrogen-bonded Turntrans-83-15.2-171.6-74.3-14.9000114.3
128G54.3Low56.6Low56 Ų56112.4 Ų112.458%0.57757%0.571SS**THydrogen-bonded Turntrans-96-35.4175.200000114.9
129S54Low56.2Low63 Ų63111.8 Ų111.844%0.44157%0.57SS.*Hα-helixtrans-81.1-32.7-171.41630000113.1Q133S129-Q133 WeakPolarHBondContact O-CG 3.3Å; S129-Q133 PolarHBondContact O-N 3.15Å; S129-Q133 VanDerWaalsContact O-N 3.15Å
130T56.5Low55.8Low68 Ų68112.4 Ų112.442%0.41758%0.575SS.*Hα-helixtrans-74.4-34.3-176.350.10000112.7H126 Q134H126-T130 PolarHBondContact O-OG1 3.32Å; T130-Q134 WeakPolarHBondContact O-CB 3.48Å; T130-Q134 PolarHBondContact O-N 2.91Å
131D59.8Low55.7Low81 Ų81112.7 Ų112.743%0.43357%0.572SS.*Hα-helixtrans-66.5-41.6176-168.363.8000111.7Q134 R135D131-Q134 PolarHBondContact O-N 3.39Å; D131-R135 WeakPolarHBondContact O-CB 3.26Å; D131-R135 PolarHBondContact O-N 3.05Å; D131-R135 IonicContact OD2-CZ 3.5Å; D131-R135 IonicContact OD2-NE 2.9Å; D131-R135 IonicContact OD2-NH2 3.15Å; D131-R135 PolarHBondContact OD2-NH2 3.39Å
132V59Low55.9Low101 Ų101112 Ų11261%0.61257%0.569SS**Hα-helixtrans-66.6-44.6178.8-178.90000111.1R135 A136V132-R135 PolarHBondContact O-N 2.89Å; V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.9Å
133Q56.2Low55.9Low142 Ų142117.7 Ų117.766%0.66458%0.58SS**Hα-helixtrans-67.4-36.6176.7-71.5-152.3-27.100112.5S129 W137S129-Q133 WeakPolarHBondContact O-CG 3.3Å; S129-Q133 PolarHBondContact O-N 3.15Å; S129-Q133 VanDerWaalsContact O-N 3.15Å; Q133-W137 VanDerWaalsContact O-CB 3.27Å; Q133-W137 WeakPolarHBondContact O-CB 3.49Å; Q133-W137 PolarHBondContact O-N 3.42Å
134Q58.8Low56.1Low109 Ų109114.2 Ų114.251%0.50957%0.571SS.*Hα-helixtrans-72.4-33.3177.7-164.4136.8-48.400112.1T130 D131 R138T130-Q134 WeakPolarHBondContact O-CB 3.48Å; T130-Q134 PolarHBondContact O-N 2.91Å; D131-Q134 PolarHBondContact O-N 3.39Å; Q134-R138 WeakPolarHBondContact O-CB 3.44Å; Q134-R138 WeakPolarHBondContact O-CG 3.28Å; Q134-R138 PolarHBondContact O-N 2.96Å
135R62.8Low56.3Low167 Ų167115 Ų11563%0.6357%0.571SS**Hα-helixtrans-69.6-42.9172.7-168175.1-64.4-170.24.6111.7D131 V132 R138 S139D131-R135 WeakPolarHBondContact O-CB 3.26Å; D131-R135 PolarHBondContact O-N 3.05Å; D131-R135 IonicContact OD2-CZ 3.5Å; D131-R135 IonicContact OD2-NE 2.9Å; D131-R135 IonicContact OD2-NH2 3.15Å; D131-R135 PolarHBondContact OD2-NH2 3.39Å; V132-R135 PolarHBondContact O-N 2.89Å; R135-R138 PolarHBondContact O-N 2.92Å; R135-S139 WeakPolarHBondContact O-CB 3.35Å; R135-S139 PolarHBondContact O-N 3.01Å
136A58.4Low56.5Low55 Ų55114.5 Ų114.546%0.45557%0.567SS.*Hα-helixtrans-63.3-40.3173.100000112.1V132 S139 N140V132-A136 WeakPolarHBondContact O-CB 3.4Å; V132-A136 PolarHBondContact O-N 2.9Å; A136-S139 PolarHBondContact O-N 3.44Å; A136-N140 PolarHBondContact O-N 2.89Å
137W60.2Low56.3Low154 Ų154114.9 Ų114.958%0.58357%0.572SS**Hα-helixtrans-67.3-41.6177.2-171.283.7000112.7Q133 S139 N140 R141Q133-W137 VanDerWaalsContact O-CB 3.27Å; Q133-W137 WeakPolarHBondContact O-CB 3.49Å; Q133-W137 PolarHBondContact O-N 3.42Å; W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 2.91Å; W137-N140 PolarHBondContact O-N 3.28Å; W137-R141 PolarHBondContact O-N 3.42Å; W137-R141 VanDerWaalsContact O-N 3.08Å
138R57.2Low56.2Low160 Ų160118 Ų11860%0.60457%0.573SS**Hα-helixtrans-63.9-36.1174.2-80-174-178.4148.1-1112.6Q134 R135Q134-R138 WeakPolarHBondContact O-CB 3.44Å; Q134-R138 WeakPolarHBondContact O-CG 3.28Å; Q134-R138 PolarHBondContact O-N 2.96Å; R135-R138 PolarHBondContact O-N 2.92Å
139S58.1Low55.9Low78 Ų78120 Ų12055%0.54558%0.579SS.*Hα-helixtrans-67.7-45.3176.4-177.40000112.2R135 A136 W137 R141 R142 R143R135-S139 WeakPolarHBondContact O-CB 3.35Å; R135-S139 PolarHBondContact O-N 3.01Å; A136-S139 PolarHBondContact O-N 3.44Å; W137-S139 VanDerWaalsContact C-N 3.33Å; W137-S139 PolarHBondContact O-N 2.91Å; S139-R141 VanDerWaalsContact C-N 3.32Å; S139-R141 PolarHBondContact O-N 3.32Å; S139-R142 PolarHBondContact O-N 3.14Å; S139-R143 PolarHBondContact O-N 3.4Å
140N60.5Low55.8Low103 Ų103124 Ų12455%0.55159%0.593SS**Hα-helixtrans-68-29.1178.4-100.4-31.1000113.6A136 W137 R143 Q144A136-N140 PolarHBondContact O-N 2.89Å; W137-N140 PolarHBondContact O-N 3.28Å; N140-R143 PolarHBondContact O-N 3.26Å; N140-Q144 WeakPolarHBondContact O-CB 3.32Å; N140-Q144 WeakPolarHBondContact O-CG 3.35Å; N140-Q144 PolarHBondContact O-N 3.37Å
141R57Low55.5Low142 Ų142125.7 Ų125.754%0.53661%0.607SS.*Hα-helixtrans-65.8-41.9177.2-165.4168.5-169.5172.63.7112.5W137 S139 Q144 E145W137-R141 PolarHBondContact O-N 3.42Å; W137-R141 VanDerWaalsContact O-N 3.08Å; S139-R141 VanDerWaalsContact C-N 3.32Å; S139-R141 PolarHBondContact O-N 3.32Å; R141-Q144 PolarHBondContact O-N 3.1Å; R141-E145 PolarHBondContact O-N 3.32Å
142R58.5Low55Low205 Ų205130.3 Ų130.377%0.77463%0.628SS**Hα-helixtrans-66.8-36.5175.5-67-169.1-170.7-172.23.1112.5S139 E145S139-R142 PolarHBondContact O-N 3.14Å; R142-E145 PolarHBondContact O-N 3.01Å
143R53.2Low54.2Low192 Ų192133.5 Ų133.573%0.72564%0.636SS**Hα-helixtrans-67.8-33.9175-111.3-172.7-174.6-173.62.2113.4S139 N140 L147S139-R143 PolarHBondContact O-N 3.4Å; N140-R143 PolarHBondContact O-N 3.26Å; R143-L147 PolarHBondContact O-N 3.2Å
144Q51.3Low54Low109 Ų109132.7 Ų132.751%0.50964%0.641SS.*Hα-helixtrans-74-29.5177.6-79-86.1-22.500113N140 R141 G146 L147 R148N140-Q144 WeakPolarHBondContact O-CB 3.32Å; N140-Q144 WeakPolarHBondContact O-CG 3.35Å; N140-Q144 PolarHBondContact O-N 3.37Å; R141-Q144 PolarHBondContact O-N 3.1Å; Q144-G146 VanDerWaalsContact C-N 3.31Å; Q144-L147 PolarHBondContact O-N 3.08Å; Q144-R148 WeakPolarHBondContact O-CB 3.39Å; Q144-R148 VanDerWaalsContact O-CG 3.28Å; Q144-R148 WeakPolarHBondContact O-CG 3.31Å; Q144-R148 PolarHBondContact O-N 3.39Å; Q144-R148 VanDerWaalsContact O-N 3.09Å
145E54.3Low52.9Low121 Ų121137.1 Ų137.157%0.56566%0.659SS**Hα-helixtrans-67.6-31.1174.5-76.6161.4-173.200112R141 R142R141-E145 PolarHBondContact O-N 3.32Å; R142-E145 PolarHBondContact O-N 3.01Å
146G55.1Low52.2Low51 Ų51139 Ų13953%0.52667%0.672SS.*Hα-helixtrans-78-25.5173.200000115.5Q144Q144-G146 VanDerWaalsContact C-N 3.31Å
147L47.3Very low51.5Low119 Ų119148.1 Ų148.162%0.62369%0.694SS**Hα-helixtrans-91.5-14.4178-81.7165.7000113.7R143 Q144 S149R143-L147 PolarHBondContact O-N 3.2Å; Q144-L147 PolarHBondContact O-N 3.08Å; L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.39Å
148R47.8Very low50.6Low201 Ų201146.9 Ų146.976%0.75870%0.704SS**THydrogen-bonded Turntrans-72.1-12.1-178.2-94178.6176.9-158.3-2.8114.7Q144Q144-R148 WeakPolarHBondContact O-CB 3.39Å; Q144-R148 VanDerWaalsContact O-CG 3.28Å; Q144-R148 WeakPolarHBondContact O-CG 3.31Å; Q144-R148 PolarHBondContact O-N 3.39Å; Q144-R148 VanDerWaalsContact O-N 3.09Å
149S48.6Very low49.8Very low100 Ų100143.8 Ų143.870%0.69971%0.706SS**THydrogen-bonded Turntrans-90.5-8.4177.754.50000114.6L147L147-S149 VanDerWaalsContact C-N 3.26Å; L147-S149 PolarHBondContact O-N 3.39Å
150I50.4Low49.4Very low145 Ų145145.4 Ų145.474%0.74472%0.718SS**THydrogen-bonded Turntrans-118.1-10.5-170.3-61.2178.4000114.9
151C50.2Low48.7Very low105 Ų105149.1 Ų149.171%0.70973%0.729SS**  trans-138.685.8-177.8-165.50000113.6
152M49.5Very low48.4Very low178 Ų178154 Ų15488%0.87775%0.748SS**  trans-106.692.1148.5-86.1-148.173.700108.7
153H42.5Very low47.9Very low167 Ų167146.7 Ų146.777%0.77374%0.736SS**  trans-146.2118.2147.6-95.3-74.2000110.7
154T51.4Low48Very low126 Ų126144.1 Ų144.177%0.77374%0.737SS**  trans47.794156.858.80000118.9
155K37.4Very low48.2Very low202 Ų202145.8 Ų145.888%0.87874%0.742SS**  trans-126.6100.9140.8-88-174.2178177.60110R157K155-R157 PolarHBondContact O-N 2.66Å; K155-R157 VanDerWaalsContact O-N 3.15Å
156K46.3Very low48.4Very low207 Ų207146 Ų14690%0.975%0.746SS**  trans-52.6114.7161.2-83.9-177.7174.9176.70107.7V158K156-V158 PolarHBondContact O-N 2.98Å
157R44.2Very low48.5Very low246 Ų246148 Ų14893%0.92875%0.748SS**  trans-88.4103167.7-73.3-166.6-179.3-163.10.7108.7K155K155-R157 PolarHBondContact O-N 2.66Å; K155-R157 VanDerWaalsContact O-N 3.15Å
158V41.1Very low49.5Very low128 Ų128147.6 Ų147.678%0.77675%0.745SS**  trans-74.9147.6164.91740000109.4K156K156-V158 PolarHBondContact O-N 2.98Å
159S42Very low50.4Low95 Ų95144.5 Ų144.566%0.66474%0.737SS**  trans89.191.6164.975.80000117.7F161S159-F161 PolarHBondContact O-N 3.27Å
160S49.6Very low51.5Low112 Ų112144.2 Ų144.278%0.78373%0.728SS**  trans-57.6100.6149.948.70000111.8R162S160-R162 PolarHBondContact O-N 3.46Å
161F45.2Very low52.6Low181 Ų181141.6 Ų141.679%0.79472%0.719SS**  trans-83.695.7156.5-106.1-92.2000109.3S159 G163S159-F161 PolarHBondContact O-N 3.27Å; F161-G163 VanDerWaalsContact C-N 3.34Å; F161-G163 PolarHBondContact O-N 3.4Å
162R49.6Very low54Low245 Ų245140 Ų14093%0.92570%0.702SS**  trans-95.939.8-178.7-159.9-176-169.8-134.34.5111.3S160S160-R162 PolarHBondContact O-N 3.46Å
163G48Very low55.5Low51 Ų51135.3 Ų135.353%0.52668%0.684SS.*SBendtrans-110.8-43.5-176.200000115.3F161F161-G163 VanDerWaalsContact C-N 3.34Å; F161-G163 PolarHBondContact O-N 3.4Å
164N55.8Low57.1Low138 Ų138132.7 Ų132.774%0.73868%0.675SS**SBendtrans-104.94.3-166.8-10217.6000116.1I166N164-I166 PolarHBondContact O-N 3.45Å
165K56.5Low58.8Low144 Ų144134.8 Ų134.863%0.62667%0.669SS**Hα-helixtrans-77-19.9-175.1-68.1-176.6-177.31790113.7K169K165-K169 WeakPolarHBondContact O-CB 3.3Å; K165-K169 VanDerWaalsContact O-CD 3.23Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CG 3.32Å
166I58.5Low60.9Low125 Ų125133.2 Ų133.264%0.64166%0.657SS**Hα-helixtrans-79.2-55-177.3-60.9170.9000109.4N164 L168 K169 D170N164-I166 PolarHBondContact O-N 3.45Å; I166-L168 PolarHBondContact O-N 3.27Å; I166-K169 WeakPolarHBondContact O-CB 3.29Å; I166-K169 PolarHBondContact O-N 2.93Å; I166-K169 VanDerWaalsContact O-N 3.12Å; I166-D170 PolarHBondContact O-N 3.12Å; I166-D170 VanDerWaalsContact O-N 3.09Å
167V56.6Low62.7Low94 Ų94127.7 Ų127.757%0.5764%0.635SS**Hα-helixtrans-59.4-42.3-179.3-176.80000112.5K169 D170 V171V167-K169 PolarHBondContact O-N 2.89Å; V167-D170 PolarHBondContact O-N 2.92Å; V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 2.9Å
168L68.1Low64.7Low109 Ų109119.7 Ų119.757%0.57161%0.613SS**Hα-helixtrans-66.9-36.3179.2-175.563.6000112.3I166 D170 I172I166-L168 PolarHBondContact O-N 3.27Å; L168-D170 VanDerWaalsContact C-N 3.34Å; L168-I172 HydrophobicContact CD1-CD1 4.09Å; L168-I172 HydrophobicContact CD1-CG1 4.4Å; L168-I172 HydrophobicContact CG-CD1 3.83Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CD1 3.48Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å; L168-I172 PolarHBondContact O-N 2.91Å
169K67.5Low66.6Low136 Ų136116.9 Ų116.959%0.59159%0.591SS**Hα-helixtrans-65.7-39.3175.6-77.4174.5-175.4-175.30111K165 I166 V167 I172 T173K165-K169 WeakPolarHBondContact O-CB 3.3Å; K165-K169 VanDerWaalsContact O-CD 3.23Å; K165-K169 WeakPolarHBondContact O-CD 3.38Å; K165-K169 WeakPolarHBondContact O-CG 3.32Å; I166-K169 WeakPolarHBondContact O-CB 3.29Å; I166-K169 PolarHBondContact O-N 2.93Å; I166-K169 VanDerWaalsContact O-N 3.12Å; V167-K169 PolarHBondContact O-N 2.89Å; K169-I172 PolarHBondContact O-N 3.45Å; K169-T173 WeakPolarHBondContact O-CB 3.38Å; K169-T173 VanDerWaalsContact O-CG2 3.26Å; K169-T173 WeakPolarHBondContact O-CG2 3.34Å; K169-T173 PolarHBondContact O-N 3.1Å; K169-T173 PolarHBondContact O-OG1 3.32Å
170D71.9Confident68.8Low95 Ų95116.4 Ų116.451%0.50858%0.584SS.*Hα-helixtrans-69.7-38.5179.4-65.8-21.6000112I166 V167 L168 T173 L174I166-D170 PolarHBondContact O-N 3.12Å; I166-D170 VanDerWaalsContact O-N 3.09Å; V167-D170 PolarHBondContact O-N 2.92Å; L168-D170 VanDerWaalsContact C-N 3.34Å; D170-T173 VanDerWaalsContact CA-OG1 3.32Å; D170-T173 WeakPolarHBondContact CA-OG1 3.33Å; D170-T173 PolarHBondContact O-OG1 3.23Å; D170-L174 WeakPolarHBondContact O-CB 3.09Å; D170-L174 PolarHBondContact O-N 2.81Å
171V73Confident70.6Confident89 Ų89116.9 Ų116.954%0.53957%0.572SS.*Hα-helixtrans-66.8-40.7174.5174.10000111.6V167 R175V167-V171 WeakPolarHBondContact O-CG2 3.39Å; V167-V171 PolarHBondContact O-N 2.9Å; V171-R175 WeakPolarHBondContact O-CB 3.31Å; V171-R175 PolarHBondContact O-N 2.83Å
172I78.4Confident72.8Confident72 Ų72111.8 Ų111.837%0.36956%0.556SS.*Hα-helixtrans-68.4-41178.6-68.6167.1000111.2L168 K169 R176L168-I172 HydrophobicContact CD1-CD1 4.09Å; L168-I172 HydrophobicContact CD1-CG1 4.4Å; L168-I172 HydrophobicContact CG-CD1 3.83Å; L168-I172 WeakPolarHBondContact O-CB 3.33Å; L168-I172 WeakPolarHBondContact O-CD1 3.48Å; L168-I172 WeakPolarHBondContact O-CG1 3.43Å; L168-I172 PolarHBondContact O-N 2.91Å; K169-I172 PolarHBondContact O-N 3.45Å; I172-R176 VanDerWaalsContact O-CG 3.32Å; I172-R176 WeakPolarHBondContact O-CG 3.42Å; I172-R176 PolarHBondContact O-N 2.84Å
173T81.1Confident74.5Confident80 Ų80107.6 Ų107.649%0.49154%0.54SS..Hα-helixtrans-67.7-42177.2510000111.3K169 D170 R175 R176 H177K169-T173 WeakPolarHBondContact O-CB 3.38Å; K169-T173 VanDerWaalsContact O-CG2 3.26Å; K169-T173 WeakPolarHBondContact O-CG2 3.34Å; K169-T173 PolarHBondContact O-N 3.1Å; K169-T173 PolarHBondContact O-OG1 3.32Å; D170-T173 VanDerWaalsContact CA-OG1 3.32Å; D170-T173 WeakPolarHBondContact CA-OG1 3.33Å; D170-T173 PolarHBondContact O-OG1 3.23Å; T173-R175 PolarHBondContact O-N 2.96Å; T173-R176 PolarHBondContact O-N 3.41Å; T173-H177 WeakPolarHBondContact O-CB 3.34Å; T173-H177 PolarHBondContact O-N 3.35Å
174L77.5Confident76.2Confident112 Ų112107.4 Ų107.459%0.58653%0.534SS*.Hα-helixtrans-61.3-45.1174.9-173.265.9000111.7D170 R176 H177 V178D170-L174 WeakPolarHBondContact O-CB 3.09Å; D170-L174 PolarHBondContact O-N 2.81Å; L174-R176 PolarHBondContact O-N 2.81Å; L174-H177 PolarHBondContact O-N 2.82Å; L174-V178 WeakPolarHBondContact O-CG2 3.29Å; L174-V178 PolarHBondContact O-N 3.03Å
175R85.6Confident77.6Confident169 Ų169108.3 Ų108.364%0.63853%0.531SS*.Hα-helixtrans-58.6-47.6175-179.7-178.8169.5-175.12.2111.6V171 T173 H177 V178 E179V171-R175 WeakPolarHBondContact O-CB 3.31Å; V171-R175 PolarHBondContact O-N 2.83Å; T173-R175 PolarHBondContact O-N 2.96Å; R175-H177 VanDerWaalsContact C-N 3.32Å; R175-H177 PolarHBondContact O-N 2.9Å; R175-V178 PolarHBondContact O-N 2.85Å; R175-E179 IonicContact CZ-OE1 3.48Å; R175-E179 IonicContact NE-OE1 2.88Å; R175-E179 PolarHBondContact NE-OE1 3.45Å; R175-E179 IonicContact NH2-OE1 3.61Å; R175-E179 PolarHBondContact NH2-OE1 3.46Å; R175-E179 WeakPolarHBondContact O-CB 3.16Å; R175-E179 WeakPolarHBondContact O-CG 3.09Å; R175-E179 PolarHBondContact O-N 3.46Å
176R82.8Confident78.9Confident170 Ų170105.4 Ų105.464%0.64252%0.521SS*.Hα-helixtrans-61-41.4177.9-75.4176.5178.3-176.50.2111.7I172 T173 L174 E179 T180I172-R176 VanDerWaalsContact O-CG 3.32Å; I172-R176 WeakPolarHBondContact O-CG 3.42Å; I172-R176 PolarHBondContact O-N 2.84Å; T173-R176 PolarHBondContact O-N 3.41Å; L174-R176 PolarHBondContact O-N 2.81Å; R176-E179 PolarHBondContact O-N 2.98Å; R176-T180 WeakPolarHBondContact O-CG2 3.37Å; R176-T180 PolarHBondContact O-N 3.41Å; R176-T180 PolarHBondContact O-OG1 3.46Å
177H82.6Confident79.9Confident91 Ų91108.2 Ų108.242%0.42152%0.524SS..Hα-helixtrans-66.6-39.3178.3173.6-100.7000112.8T173 L174 R175 T180 K181T173-H177 WeakPolarHBondContact O-CB 3.34Å; T173-H177 PolarHBondContact O-N 3.35Å; L174-H177 PolarHBondContact O-N 2.82Å; R175-H177 VanDerWaalsContact C-N 3.32Å; R175-H177 PolarHBondContact O-N 2.9Å; H177-T180 PolarHBondContact O-OG1 3.42Å; H177-K181 VanDerWaalsContact CE1-CE 3.43Å; H177-K181 WeakPolarHBondContact CE1-CE 3.36Å; H177-K181 VanDerWaalsContact NE2-CE 3.28Å; H177-K181 WeakPolarHBondContact NE2-CE 3.38Å; H177-K181 PolarHBondContact O-N 3.47Å; H177-K181 VanDerWaalsContact O-N 3.1Å
178V87Confident80.9Confident77 Ų77111.2 Ų111.247%0.46753%0.529SS..Hα-helixtrans-67.2-43.9174.2173.30000110.6L174 R175 T180 K181 V182L174-V178 WeakPolarHBondContact O-CG2 3.29Å; L174-V178 PolarHBondContact O-N 3.03Å; R175-V178 PolarHBondContact O-N 2.85Å; V178-T180 PolarHBondContact O-N 3.13Å; V178-K181 PolarHBondContact O-N 3.35Å; V178-V182 HydrophobicContact CG1-CG2 4.3Å; V178-V182 WeakPolarHBondContact O-CG2 3.22Å; V178-V182 PolarHBondContact O-N 2.59Å
179E81.6Confident81.1Confident70 Ų70115.2 Ų115.233%0.32754%0.537SS..Hα-helixtrans-61-40.5177.6-76.8-178.5-169.100112.2R175 R176 V182 R183R175-E179 IonicContact CZ-OE1 3.48Å; R175-E179 IonicContact NE-OE1 2.88Å; R175-E179 PolarHBondContact NE-OE1 3.45Å; R175-E179 IonicContact NH2-OE1 3.61Å; R175-E179 PolarHBondContact NH2-OE1 3.46Å; R175-E179 WeakPolarHBondContact O-CB 3.16Å; R175-E179 WeakPolarHBondContact O-CG 3.09Å; R175-E179 PolarHBondContact O-N 3.46Å; R176-E179 PolarHBondContact O-N 2.98Å; E179-V182 PolarHBondContact O-N 3.38Å; E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 VanDerWaalsContact O-CG 3.22Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.31Å
180T88.6Confident81.5Confident84 Ų84115.5 Ų115.552%0.51554%0.538SS..Hα-helixtrans-67.5-41.1175.956.10000111.9R176 H177 V178 R183 A184R176-T180 WeakPolarHBondContact O-CG2 3.37Å; R176-T180 PolarHBondContact O-N 3.41Å; R176-T180 PolarHBondContact O-OG1 3.46Å; H177-T180 PolarHBondContact O-OG1 3.42Å; V178-T180 PolarHBondContact O-N 3.13Å; T180-R183 PolarHBondContact O-N 2.83Å; T180-A184 WeakPolarHBondContact O-CB 3.28Å; T180-A184 PolarHBondContact O-N 2.87Å
181K87.6Confident81.5Confident122 Ų122115.1 Ų115.153%0.5354%0.539SS..Hα-helixtrans-62.9-41.5174.9-79.6-165.2173179.90112.4H177 V178 A184 K185H177-K181 VanDerWaalsContact CE1-CE 3.43Å; H177-K181 WeakPolarHBondContact CE1-CE 3.36Å; H177-K181 VanDerWaalsContact NE2-CE 3.28Å; H177-K181 WeakPolarHBondContact NE2-CE 3.38Å; H177-K181 PolarHBondContact O-N 3.47Å; H177-K181 VanDerWaalsContact O-N 3.1Å; V178-K181 PolarHBondContact O-N 3.35Å; K181-A184 PolarHBondContact O-N 2.95Å; K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 3.12Å
182V90.2Very high81Confident74 Ų74114.1 Ų114.145%0.44853%0.533SS..Hα-helixtrans-65.5-45.8175.9171.60000110.4V178 E179 A184 K185 I186V178-V182 HydrophobicContact CG1-CG2 4.3Å; V178-V182 WeakPolarHBondContact O-CG2 3.22Å; V178-V182 PolarHBondContact O-N 2.59Å; E179-V182 PolarHBondContact O-N 3.38Å; V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 2.86Å; V182-K185 PolarHBondContact O-N 3.37Å; V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.37Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.9Å
183R84.9Confident80.5Confident158 Ų158114.8 Ų114.860%0.59654%0.54SS*.Hα-helixtrans-60.6-41175.8-74.2175.2-175.9-161.43.3112.2E179 T180 I186 R187E179-R183 WeakPolarHBondContact O-CB 3.5Å; E179-R183 VanDerWaalsContact O-CG 3.22Å; E179-R183 WeakPolarHBondContact O-CG 3.49Å; E179-R183 PolarHBondContact O-N 3.31Å; T180-R183 PolarHBondContact O-N 2.83Å; R183-I186 PolarHBondContact O-N 3.45Å; R183-R187 WeakPolarHBondContact O-CB 3.28Å; R183-R187 WeakPolarHBondContact O-CG 3.36Å; R183-R187 PolarHBondContact O-N 3.36Å
184A85.2Confident79.4Confident47 Ų47118.5 Ų118.539%0.38855%0.55SS..Hα-helixtrans-64.2-42.8175.800000111.7T180 K181 V182 R187 K188T180-A184 WeakPolarHBondContact O-CB 3.28Å; T180-A184 PolarHBondContact O-N 2.87Å; K181-A184 PolarHBondContact O-N 2.95Å; V182-A184 VanDerWaalsContact C-N 3.34Å; V182-A184 PolarHBondContact O-N 2.86Å; A184-R187 PolarHBondContact O-N 3.22Å; A184-K188 WeakPolarHBondContact O-CB 3.47Å; A184-K188 WeakPolarHBondContact O-CG 3.42Å; A184-K188 PolarHBondContact O-N 3.03Å
185K83.9Confident78.7Confident157 Ų157117.9 Ų117.968%0.68355%0.546SS*.Hα-helixtrans-63-41.9173.8-77-178.4177.7-176.10112.1K181 V182 K188 R189K181-K185 WeakPolarHBondContact O-CG 3.45Å; K181-K185 PolarHBondContact O-N 3.12Å; V182-K185 PolarHBondContact O-N 3.37Å; K185-K188 PolarHBondContact O-N 2.88Å; K185-R189 VanDerWaalsContact O-CB 3.28Å; K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 PolarHBondContact O-N 2.88Å
186I84.2Confident77.3Confident83 Ų83114.4 Ų114.443%0.42654%0.54SS..Hα-helixtrans-63.5-44.3176-68.2166.9000110.7V182 R183 R189 K190V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.37Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.9Å; R183-I186 PolarHBondContact O-N 3.45Å; I186-R189 PolarHBondContact O-N 2.89Å; I186-K190 HydrophobicContact CG2-CD 4.25Å; I186-K190 HydrophobicContact CG2-CG 4.47Å; I186-K190 WeakPolarHBondContact O-CB 3.4Å; I186-K190 WeakPolarHBondContact O-CG 3.38Å; I186-K190 PolarHBondContact O-N 2.93Å
187R80.1Confident76.1Confident184 Ų184112.4 Ų112.469%0.69454%0.538SS*.Hα-helixtrans-62.3-48.1176.2-74.8178.4-179.6179.1-1111.5R183 A184 R189 K190 V191R183-R187 WeakPolarHBondContact O-CB 3.28Å; R183-R187 WeakPolarHBondContact O-CG 3.36Å; R183-R187 PolarHBondContact O-N 3.36Å; A184-R187 PolarHBondContact O-N 3.22Å; R187-R189 VanDerWaalsContact C-N 3.35Å; R187-R189 PolarHBondContact O-N 3.45Å; R187-K190 PolarHBondContact O-N 3.48Å; R187-V191 VanDerWaalsContact O-CG2 3.32Å; R187-V191 WeakPolarHBondContact O-CG2 3.37Å; R187-V191 PolarHBondContact O-N 3.4Å
188K77.1Confident74.9Confident157 Ų157114.8 Ų114.868%0.68355%0.549SS*.Hα-helixtrans-57.4-46.8175.1-75.6-172.2178-168.70111.4A184 K185 K190 V191 T192A184-K188 WeakPolarHBondContact O-CB 3.47Å; A184-K188 WeakPolarHBondContact O-CG 3.42Å; A184-K188 PolarHBondContact O-N 3.03Å; K185-K188 PolarHBondContact O-N 2.88Å; K188-K190 PolarHBondContact O-N 3.17Å; K188-V191 PolarHBondContact O-N 3.43Å; K188-T192 WeakPolarHBondContact O-CG2 3.45Å; K188-T192 PolarHBondContact O-N 2.9Å; K188-T192 PolarHBondContact O-OG1 3.34Å
189R73.2Confident73.4Confident193 Ų193115.9 Ų115.973%0.72855%0.552SS**Hα-helixtrans-62.5-42177.8-164.5176.8-174.6-163.51.8112.3K185 I186 R187 T192 T193K185-R189 VanDerWaalsContact O-CB 3.28Å; K185-R189 WeakPolarHBondContact O-CB 3.4Å; K185-R189 PolarHBondContact O-N 2.88Å; I186-R189 PolarHBondContact O-N 2.89Å; R187-R189 VanDerWaalsContact C-N 3.35Å; R187-R189 PolarHBondContact O-N 3.45Å; R189-T192 WeakPolarHBondContact CA-OG1 3.35Å; R189-T192 PolarHBondContact O-N 2.87Å; R189-T192 PolarHBondContact O-OG1 2.95Å; R189-T193 WeakPolarHBondContact O-CB 3.34Å; R189-T193 PolarHBondContact O-N 3.25Å; R189-T193 PolarHBondContact O-OG1 3.04Å
190K74.3Confident72.1Confident141 Ų141120.2 Ų120.261%0.61357%0.57SS**Hα-helixtrans-63.4-41175.2-77.6-177178.9-172.10112I186 R187 K188 T193 K194I186-K190 HydrophobicContact CG2-CD 4.25Å; I186-K190 HydrophobicContact CG2-CG 4.47Å; I186-K190 WeakPolarHBondContact O-CB 3.4Å; I186-K190 WeakPolarHBondContact O-CG 3.38Å; I186-K190 PolarHBondContact O-N 2.93Å; R187-K190 PolarHBondContact O-N 3.48Å; K188-K190 PolarHBondContact O-N 3.17Å; K190-T193 PolarHBondContact O-N 3.15Å; K190-K194 WeakPolarHBondContact O-CG 3.32Å; K190-K194 PolarHBondContact O-N 3.06Å
191V72.5Confident70.5Confident87 Ų87121.9 Ų121.953%0.52758%0.575SS.*Hα-helixtrans-65.1-47.3176.2171.60000110.7R187 K188 T193 K194 I195R187-V191 VanDerWaalsContact O-CG2 3.32Å; R187-V191 WeakPolarHBondContact O-CG2 3.37Å; R187-V191 PolarHBondContact O-N 3.4Å; K188-V191 PolarHBondContact O-N 3.43Å; V191-T193 VanDerWaalsContact C-N 3.33Å; V191-T193 PolarHBondContact O-N 3.47Å; V191-K194 WeakPolarHBondContact O-CB 3.49Å; V191-K194 PolarHBondContact O-N 3.25Å; V191-K194 VanDerWaalsContact O-N 3.15Å; V191-I195 HydrophobicContact CG1-CD1 3.91Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.36Å
192T61.9Low69.1Low69 Ų69119.9 Ų119.942%0.42357%0.569SS.*Hα-helixtrans-64.4-36.5177.254.90000112.5K188 R189 K194 I195 N196K188-T192 WeakPolarHBondContact O-CG2 3.45Å; K188-T192 PolarHBondContact O-N 2.9Å; K188-T192 PolarHBondContact O-OG1 3.34Å; R189-T192 WeakPolarHBondContact CA-OG1 3.35Å; R189-T192 PolarHBondContact O-N 2.87Å; R189-T192 PolarHBondContact O-OG1 2.95Å; T192-K194 VanDerWaalsContact C-N 3.33Å; T192-K194 PolarHBondContact O-N 2.89Å; T192-I195 PolarHBondContact O-N 2.91Å; T192-N196 WeakPolarHBondContact O-CB 3.44Å; T192-N196 PolarHBondContact O-N 3.46Å; T192-N196 PolarHBondContact O-ND2 3.49Å
193T67.7Low67.4Low85 Ų85117.8 Ų117.852%0.52156%0.563SS.*Hα-helixtrans-66.6-35174.8-600000111.8R189 K190 V191 H197R189-T193 WeakPolarHBondContact O-CB 3.34Å; R189-T193 PolarHBondContact O-N 3.25Å; R189-T193 PolarHBondContact O-OG1 3.04Å; K190-T193 PolarHBondContact O-N 3.15Å; V191-T193 VanDerWaalsContact C-N 3.33Å; V191-T193 PolarHBondContact O-N 3.47Å; T193-H197 PolarHBondContact O-N 3.41Å
194K60Low66Low158 Ų158118.4 Ų118.469%0.68757%0.57SS**Hα-helixtrans-68.1-41.3172.9-78.1-173173.3-167.70112.3K190 V191 T192 H197 H198K190-K194 WeakPolarHBondContact O-CG 3.32Å; K190-K194 PolarHBondContact O-N 3.06Å; V191-K194 WeakPolarHBondContact O-CB 3.49Å; V191-K194 PolarHBondContact O-N 3.25Å; V191-K194 VanDerWaalsContact O-N 3.15Å; T192-K194 VanDerWaalsContact C-N 3.33Å; T192-K194 PolarHBondContact O-N 2.89Å; K194-H197 WeakPolarHBondContact O-CB 3.46Å; K194-H197 PolarHBondContact O-N 3.49Å; K194-H197 VanDerWaalsContact O-N 3.14Å; K194-H198 PolarHBondContact O-N 3.11Å
195I60.8Low64.6Low99 Ų99125.6 Ų125.651%0.50859%0.587SS.*Hα-helixtrans-60.5-46.5174.4-65.6166.4000110V191 T192 H197 H198 D199V191-I195 HydrophobicContact CG1-CD1 3.91Å; V191-I195 WeakPolarHBondContact O-CG1 3.47Å; V191-I195 PolarHBondContact O-N 3.36Å; T192-I195 PolarHBondContact O-N 2.91Å; I195-H197 PolarHBondContact O-N 3.49Å; I195-H198 PolarHBondContact O-N 3.29Å; I195-H198 VanDerWaalsContact O-N 3.11Å; I195-D199 PolarHBondContact O-N 3.29Å
196N57.8Low63.2Low96 Ų96125 Ų12551%0.51358%0.584SS.*Hα-helixtrans-64.4-24.1176-69.2-14000113.6T192T192-N196 WeakPolarHBondContact O-CB 3.44Å; T192-N196 PolarHBondContact O-N 3.46Å; T192-N196 PolarHBondContact O-ND2 3.49Å
197H58.1Low62.1Low128 Ų128124.8 Ų124.859%0.59359%0.587SS**Hα-helixtrans-73.2-34.8174.9-167.812.7000111.7T193 K194 I195 D199 K200T193-H197 PolarHBondContact O-N 3.41Å; K194-H197 WeakPolarHBondContact O-CB 3.46Å; K194-H197 PolarHBondContact O-N 3.49Å; K194-H197 VanDerWaalsContact O-N 3.14Å; I195-H197 PolarHBondContact O-N 3.49Å; H197-D199 VanDerWaalsContact C-N 3.32Å; H197-D199 PolarHBondContact O-N 3.34Å; H197-K200 WeakPolarHBondContact O-CB 3.48Å; H197-K200 PolarHBondContact O-N 3.4Å
198H56.9Low61.6Low141 Ų141118.1 Ų118.165%0.65357%0.571SS**Hα-helixtrans-66.3-31.9173.7-101.4-82.9000112.6K194 I195 K200 I201K194-H198 PolarHBondContact O-N 3.11Å; I195-H198 PolarHBondContact O-N 3.29Å; I195-H198 VanDerWaalsContact O-N 3.11Å; H198-K200 VanDerWaalsContact C-N 3.28Å; H198-K200 PolarHBondContact O-N 3.23Å; H198-I201 WeakPolarHBondContact O-CB 3.45Å; H198-I201 PolarHBondContact O-N 3.14Å
199D55Low61.5Low101 Ų101119.5 Ų119.554%0.5457%0.572SS.*Hα-helixtrans-67-25.8174.8-77.7-29.6000113.8I195 H197 I201 N202 G203I195-D199 PolarHBondContact O-N 3.29Å; H197-D199 VanDerWaalsContact C-N 3.32Å; H197-D199 PolarHBondContact O-N 3.34Å; D199-I201 PolarHBondContact O-N 3.15Å; D199-N202 PolarHBondContact O-N 3.18Å; D199-N202 VanDerWaalsContact O-N 3.15Å; D199-G203 PolarHBondContact O-N 3.36Å
200K55Low61.7Low161 Ų161117.5 Ų117.570%0.757%0.569SS**Hα-helixtrans-66.2-25.1174.5-71.9-178175.2-177.30112.5H197 H198 N202 G203H197-K200 WeakPolarHBondContact O-CB 3.48Å; H197-K200 PolarHBondContact O-N 3.4Å; H198-K200 VanDerWaalsContact C-N 3.28Å; H198-K200 PolarHBondContact O-N 3.23Å; K200-N202 VanDerWaalsContact C-N 3.33Å; K200-G203 PolarHBondContact O-N 3.12Å
201I55.3Low61.8Low119 Ų119116.9 Ų116.961%0.6157%0.568SS**Hα-helixtrans-69.2-34.4174.7-58.8177.1000110.4H198 D199 G203H198-I201 WeakPolarHBondContact O-CB 3.45Å; H198-I201 PolarHBondContact O-N 3.14Å; D199-I201 PolarHBondContact O-N 3.15Å; I201-G203 PolarHBondContact O-N 3.31Å
202N57.1Low62.5Low79 Ų79119.5 Ų119.542%0.42257%0.572SS.*Hα-helixtrans-75.9-12.6173.6-153.110.1000113.2D199 K200 K204 R205 K206D199-N202 PolarHBondContact O-N 3.18Å; D199-N202 VanDerWaalsContact O-N 3.15Å; K200-N202 VanDerWaalsContact C-N 3.33Å; N202-K204 VanDerWaalsContact C-N 3.34Å; N202-K204 PolarHBondContact O-N 3.18Å; N202-R205 PolarHBondContact O-N 3.27Å; N202-K206 PolarHBondContact O-N 3.47Å
203G54.2Low63.8Low30 Ų30121.2 Ų121.231%0.30958%0.577SS.*Hα-helixtrans-57.5-43173.200000112.6D199 K200 I201 R205 K206 T207D199-G203 PolarHBondContact O-N 3.36Å; K200-G203 PolarHBondContact O-N 3.12Å; I201-G203 PolarHBondContact O-N 3.31Å; G203-R205 VanDerWaalsContact C-N 3.32Å; G203-R205 PolarHBondContact O-N 3.35Å; G203-K206 PolarHBondContact O-N 2.95Å; G203-K206 VanDerWaalsContact O-N 3.12Å; G203-T207 PolarHBondContact O-N 3.31Å; G203-T207 PolarHBondContact O-OG1 3.35Å
204K55.8Low64.7Low171 Ų171123.5 Ų123.574%0.74358%0.58SS**Hα-helixtrans-60.5-37.5179.4-69.3-173.2178.4-176.60113N202 T207 A208N202-K204 VanDerWaalsContact C-N 3.34Å; N202-K204 PolarHBondContact O-N 3.18Å; K204-T207 WeakPolarHBondContact CA-OG1 3.43Å; K204-T207 PolarHBondContact O-N 2.83Å; K204-T207 PolarHBondContact O-OG1 3.03Å; K204-A208 WeakPolarHBondContact O-CB 3.48Å; K204-A208 PolarHBondContact O-N 3.13Å
205R55.3Low66.1Low198 Ų198122 Ų12275%0.74758%0.576SS**Hα-helixtrans-70.5-34.2177.5-160.8175.4-174.21721.9111.7N202 G203 R209N202-R205 PolarHBondContact O-N 3.27Å; G203-R205 VanDerWaalsContact C-N 3.32Å; G203-R205 PolarHBondContact O-N 3.35Å; R205-R209 WeakPolarHBondContact O-CB 3.4Å; R205-R209 PolarHBondContact O-N 3.45Å; R205-R209 VanDerWaalsContact O-N 3.13Å
206K55.1Low67.5Low145 Ų145126.3 Ų126.363%0.6359%0.585SS**Hα-helixtrans-72.4-37174.7-68.5-177.9179.2179.10112.2N202 G203 K210N202-K206 PolarHBondContact O-N 3.47Å; G203-K206 PolarHBondContact O-N 2.95Å; G203-K206 VanDerWaalsContact O-N 3.12Å; K206-K210 PolarHBondContact O-N 3.03Å
207T61.8Low69.1Low79 Ų79124.5 Ų124.549%0.48558%0.583SS.*Hα-helixtrans-67.2-42.7173.28.80000112.1G203 K204 R209 K210 Q211G203-T207 PolarHBondContact O-N 3.31Å; G203-T207 PolarHBondContact O-OG1 3.35Å; K204-T207 WeakPolarHBondContact CA-OG1 3.43Å; K204-T207 PolarHBondContact O-N 2.83Å; K204-T207 PolarHBondContact O-OG1 3.03Å; T207-R209 PolarHBondContact O-N 3.43Å; T207-K210 PolarHBondContact O-N 3.21Å; T207-Q211 WeakPolarHBondContact O-CB 3.48Å; T207-Q211 WeakPolarHBondContact O-CG 3.42Å; T207-Q211 PolarHBondContact O-N 3.03Å
208A68.8Low70.6Confident44 Ų44122.7 Ų122.736%0.36458%0.575SS.*Hα-helixtrans-62.7-40.2176.300000112.4K204 Q211 K212K204-A208 WeakPolarHBondContact O-CB 3.48Å; K204-A208 PolarHBondContact O-N 3.13Å; A208-Q211 PolarHBondContact O-N 2.72Å; A208-K212 WeakPolarHBondContact O-CG 3.44Å; A208-K212 PolarHBondContact O-N 2.9Å
209R74.1Confident72.2Confident186 Ų186120 Ų12070%0.70256%0.563SS**Hα-helixtrans-66.8-40.2175.6-166.9177.5177.4174.5-0.3111.9R205 T207 K212 M213R205-R209 WeakPolarHBondContact O-CB 3.4Å; R205-R209 PolarHBondContact O-N 3.45Å; R205-R209 VanDerWaalsContact O-N 3.13Å; T207-R209 PolarHBondContact O-N 3.43Å; R209-K212 PolarHBondContact O-N 2.9Å; R209-M213 HydrophobicContact CG-CE 4.22Å; R209-M213 WeakPolarHBondContact O-CG 3.43Å; R209-M213 PolarHBondContact O-N 3.48Å
210K77.6Confident73.9Confident151 Ų151120.5 Ų120.566%0.65757%0.565SS**Hα-helixtrans-64.3-43.5174.2-84.4-171.9173.1-172.50112.3K206 T207 K212 M213 F214K206-K210 PolarHBondContact O-N 3.03Å; T207-K210 PolarHBondContact O-N 3.21Å; K210-K212 PolarHBondContact O-N 3.36Å; K210-M213 HydrophobicContact CG-CE 4.27Å; K210-M213 PolarHBondContact O-N 3.24Å; K210-F214 WeakPolarHBondContact O-CB 3.48Å; K210-F214 PolarHBondContact O-N 3.02Å
211Q77.6Confident75.4Confident128 Ų128121.2 Ų121.260%0.59856%0.563SS**Hα-helixtrans-61.1-42.6175.8-77.4176.2-21.900111.8T207 A208 M213 F214 Q215T207-Q211 WeakPolarHBondContact O-CB 3.48Å; T207-Q211 WeakPolarHBondContact O-CG 3.42Å; T207-Q211 PolarHBondContact O-N 3.03Å; A208-Q211 PolarHBondContact O-N 2.72Å; Q211-M213 PolarHBondContact O-N 3.04Å; Q211-F214 PolarHBondContact O-N 2.92Å; Q211-Q215 WeakPolarHBondContact O-CG 3.42Å; Q211-Q215 PolarHBondContact O-N 3.29Å
212K87.1Confident76.9Confident141 Ų141123.1 Ų123.161%0.61356%0.563SS**Hα-helixtrans-63.3-38.8174.5-75.2-176.7178.8-1730113A208 R209 K210 R216A208-K212 WeakPolarHBondContact O-CG 3.44Å; A208-K212 PolarHBondContact O-N 2.9Å; R209-K212 PolarHBondContact O-N 2.9Å; K210-K212 PolarHBondContact O-N 3.36Å; K212-R216 WeakPolarHBondContact O-CB 3.3Å; K212-R216 WeakPolarHBondContact O-CG 3.43Å; K212-R216 PolarHBondContact O-N 3.48Å
213M89.1Confident78.2Confident106 Ų106126.6 Ų126.652%0.52257%0.57SS.*Hα-helixtrans-68.4-38.5175.3-72.8-174.9-65.600111.9R209 K210 Q211 R216 A217R209-M213 HydrophobicContact CG-CE 4.22Å; R209-M213 WeakPolarHBondContact O-CG 3.43Å; R209-M213 PolarHBondContact O-N 3.48Å; K210-M213 HydrophobicContact CG-CE 4.27Å; K210-M213 PolarHBondContact O-N 3.24Å; Q211-M213 PolarHBondContact O-N 3.04Å; M213-R216 PolarHBondContact O-N 3.48Å; M213-A217 WeakPolarHBondContact O-CB 3.42Å; M213-A217 PolarHBondContact O-N 3.46Å
214F87.2Confident79.7Confident133 Ų133128 Ų12858%0.58358%0.579SS**Hα-helixtrans-65-44.1175.8-172.3-102.5000112K210 Q211 R216 A217 Q218K210-F214 WeakPolarHBondContact O-CB 3.48Å; K210-F214 PolarHBondContact O-N 3.02Å; Q211-F214 PolarHBondContact O-N 2.92Å; F214-R216 PolarHBondContact O-N 2.87Å; F214-A217 PolarHBondContact O-N 3.27Å; F214-Q218 HydrophobicContact CD1-CG 4.48Å; F214-Q218 HydrophobicContact CE1-CG 4.2Å; F214-Q218 HydrophobicContact CZ-CG 4.46Å; F214-Q218 WeakPolarHBondContact O-CG 3.49Å; F214-Q218 PolarHBondContact O-N 2.96Å
215Q88.2Confident80.8Confident127 Ų127124 Ų12459%0.59356%0.563SS**Hα-helixtrans-60.6-43.7173.3-75.7176.8-1500111.9Q211 A217 Q218 E219Q211-Q215 WeakPolarHBondContact O-CG 3.42Å; Q211-Q215 PolarHBondContact O-N 3.29Å; Q215-A217 VanDerWaalsContact C-N 3.35Å; Q215-A217 PolarHBondContact O-N 3.45Å; Q215-Q218 PolarHBondContact O-N 3.07Å; Q215-E219 WeakPolarHBondContact O-CB 3.49Å; Q215-E219 PolarHBondContact O-N 3.28Å
216R90.6Very high82.2Confident189 Ų189118.3 Ų118.371%0.71355%0.547SS*.Hα-helixtrans-63.7-37.7175.4-76.9-178.9-179.5-169.1-1.6112.9K212 M213 F214 E219 L220K212-R216 WeakPolarHBondContact O-CB 3.3Å; K212-R216 WeakPolarHBondContact O-CG 3.43Å; K212-R216 PolarHBondContact O-N 3.48Å; M213-R216 PolarHBondContact O-N 3.48Å; F214-R216 PolarHBondContact O-N 2.87Å; R216-E219 PolarHBondContact O-N 2.95Å; R216-L220 WeakPolarHBondContact O-CG 3.45Å; R216-L220 PolarHBondContact O-N 3.03Å
217A90.4Very high83.1Confident57 Ų57118.3 Ų118.347%0.47154%0.544SS..Hα-helixtrans-66.3-39.4175.400000111.8M213 F214 Q215 L220 R221M213-A217 WeakPolarHBondContact O-CB 3.42Å; M213-A217 PolarHBondContact O-N 3.46Å; F214-A217 PolarHBondContact O-N 3.27Å; Q215-A217 VanDerWaalsContact C-N 3.35Å; Q215-A217 PolarHBondContact O-N 3.45Å; A217-L220 PolarHBondContact O-N 3.1Å; A217-R221 WeakPolarHBondContact O-CB 3.36Å; A217-R221 PolarHBondContact O-N 3.38Å
218Q91.1Very high83.6Confident91 Ų91120.2 Ų120.243%0.42555%0.547SS..Hα-helixtrans-65.5-40.6174-74.5-174.1-30.300112.3F214 Q215 R221 R222F214-Q218 HydrophobicContact CD1-CG 4.48Å; F214-Q218 HydrophobicContact CE1-CG 4.2Å; F214-Q218 HydrophobicContact CZ-CG 4.46Å; F214-Q218 WeakPolarHBondContact O-CG 3.49Å; F214-Q218 PolarHBondContact O-N 2.96Å; Q215-Q218 PolarHBondContact O-N 3.07Å; Q218-R221 PolarHBondContact O-N 3.01Å; Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.47Å
219E90.4Very high83.5Confident83 Ų83122.6 Ų122.639%0.38855%0.55SS..Hα-helixtrans-61.7-45.4175.1-177.370.8-167.500111.6Q215 R216 R221 R222 R223Q215-E219 WeakPolarHBondContact O-CB 3.49Å; Q215-E219 PolarHBondContact O-N 3.28Å; R216-E219 PolarHBondContact O-N 2.95Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.44Å; E219-R222 PolarHBondContact O-N 3.35Å; E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.47Å; E219-R223 IonicContact OE1-CZ 3.53Å; E219-R223 IonicContact OE1-NE 2.83Å; E219-R223 PolarHBondContact OE1-NE 2.93Å; E219-R223 IonicContact OE1-NH2 3.32Å; E219-R223 PolarHBondContact OE1-NH2 2.96Å
220L90.7Very high83.3Confident113 Ų113119.2 Ų119.259%0.59255%0.553SS**Hα-helixtrans-62.4-39.1175.6-74.8171.7000112.1R216 A217 R223 A224R216-L220 WeakPolarHBondContact O-CG 3.45Å; R216-L220 PolarHBondContact O-N 3.03Å; A217-L220 PolarHBondContact O-N 3.1Å; L220-R223 PolarHBondContact O-N 3.23Å; L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.93Å
221R86.5Confident82.9Confident176 Ų176118.4 Ų118.466%0.66455%0.55SS*.Hα-helixtrans-63-45.3175.4-176177.2174.61644.4111.7A217 Q218 E219 R223 A224 E225A217-R221 WeakPolarHBondContact O-CB 3.36Å; A217-R221 PolarHBondContact O-N 3.38Å; Q218-R221 PolarHBondContact O-N 3.01Å; E219-R221 VanDerWaalsContact C-N 3.31Å; E219-R221 PolarHBondContact O-N 3.44Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.98Å; R221-A224 PolarHBondContact O-N 3.28Å; R221-E225 WeakPolarHBondContact CG-OE1 3.3Å; R221-E225 IonicContact NE-OE1 3.29Å; R221-E225 PolarHBondContact NE-OE1 3.49Å; R221-E225 VanDerWaalsContact NE-OE1 3.15Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 3.3Å
222R85.6Confident82.4Confident159 Ų159114.1 Ų114.160%0.653%0.53SS*.Hα-helixtrans-60.3-43.5175.5-73.1178.4179178.5-1.8111.7Q218 E219 A224 E225 D226Q218-R222 WeakPolarHBondContact O-CG 3.36Å; Q218-R222 PolarHBondContact O-N 3.47Å; E219-R222 PolarHBondContact O-N 3.35Å; R222-A224 PolarHBondContact O-N 3.47Å; R222-E225 PolarHBondContact O-N 3.26Å; R222-D226 WeakPolarHBondContact O-CB 3.36Å; R222-D226 VanDerWaalsContact O-CG 3.31Å; R222-D226 PolarHBondContact O-N 3.02Å
223R85.7Confident81.6Confident152 Ų152110.8 Ų110.857%0.57452%0.523SS*.Hα-helixtrans-63.7-38.4175.9-71.2-178.8-167.7176.62.8113.2E219 L220 R221 D226 Y227E219-R223 WeakPolarHBondContact O-CG 3.47Å; E219-R223 PolarHBondContact O-N 3.47Å; E219-R223 IonicContact OE1-CZ 3.53Å; E219-R223 IonicContact OE1-NE 2.83Å; E219-R223 PolarHBondContact OE1-NE 2.93Å; E219-R223 IonicContact OE1-NH2 3.32Å; E219-R223 PolarHBondContact OE1-NH2 2.96Å; L220-R223 PolarHBondContact O-N 3.23Å; R221-R223 VanDerWaalsContact C-N 3.34Å; R221-R223 PolarHBondContact O-N 2.98Å; R223-D226 PolarHBondContact O-N 3.42Å; R223-Y227 VanDerWaalsContact O-CB 3.3Å; R223-Y227 WeakPolarHBondContact O-CB 3.49Å; R223-Y227 PolarHBondContact O-N 2.94Å
224A84.2Confident80.6Confident60 Ų60111.2 Ų111.250%0.49653%0.534SS..Hα-helixtrans-66.7-41.4175.600000111.7L220 R221 R222 Y227 H228L220-A224 WeakPolarHBondContact O-CB 3.48Å; L220-A224 PolarHBondContact O-N 2.93Å; R221-A224 PolarHBondContact O-N 3.28Å; R222-A224 PolarHBondContact O-N 3.47Å; A224-Y227 PolarHBondContact O-N 2.97Å; A224-H228 WeakPolarHBondContact O-CB 3.47Å; A224-H228 PolarHBondContact O-N 3.24Å
225E80.8Confident79.5Confident85 Ų85109.1 Ų109.140%0.39754%0.536SS..Hα-helixtrans-63.3-41.5174.6-73.1171.9-165.600111.4R221 R222 H228 K229R221-E225 WeakPolarHBondContact CG-OE1 3.3Å; R221-E225 IonicContact NE-OE1 3.29Å; R221-E225 PolarHBondContact NE-OE1 3.49Å; R221-E225 VanDerWaalsContact NE-OE1 3.15Å; R221-E225 WeakPolarHBondContact O-CG 3.47Å; R221-E225 PolarHBondContact O-N 3.3Å; R222-E225 PolarHBondContact O-N 3.26Å; E225-H228 PolarHBondContact O-N 3.45Å; E225-K229 WeakPolarHBondContact O-CB 3.46Å; E225-K229 VanDerWaalsContact O-CG 3.29Å; E225-K229 WeakPolarHBondContact O-CG 3.38Å; E225-K229 PolarHBondContact O-N 3.34Å
226D82.9Confident78.5Confident79 Ų79104.8 Ų104.842%0.42252%0.522SS..Hα-helixtrans-70.8-38177.8-68.3-22.5000112.2R222 R223 H228 K229 C230R222-D226 WeakPolarHBondContact O-CB 3.36Å; R222-D226 VanDerWaalsContact O-CG 3.31Å; R222-D226 PolarHBondContact O-N 3.02Å; R223-D226 PolarHBondContact O-N 3.42Å; D226-H228 VanDerWaalsContact C-N 3.32Å; D226-H228 PolarHBondContact O-N 2.84Å; D226-K229 WeakPolarHBondContact O-CB 3.49Å; D226-K229 PolarHBondContact O-N 3.48Å; D226-K229 IonicContact OD1-NZ 2.98Å; D226-K229 PolarHBondContact OD1-NZ 3.15Å; D226-C230 WeakPolarHBondContact O-CB 3.49Å; D226-C230 PolarHBondContact O-N 2.88Å; D226-C230 PolarHBondContact O-SG 2.93Å
227Y75.6Confident77.3Confident146 Ų146101 Ų10157%0.57351%0.508SS*.Hα-helixtrans-59.8-42170.8-177.2-100.3000112R223 A224 C230 K231R223-Y227 VanDerWaalsContact O-CB 3.3Å; R223-Y227 WeakPolarHBondContact O-CB 3.49Å; R223-Y227 PolarHBondContact O-N 2.94Å; A224-Y227 PolarHBondContact O-N 2.97Å; Y227-C230 PolarHBondContact O-N 2.88Å; Y227-K231 HydrophobicContact CD1-CD 4.28Å; Y227-K231 HydrophobicContact CE1-CD 3.65Å; Y227-K231 VanDerWaalsContact CE1-CE 3.46Å; Y227-K231 HydrophobicContact CE1-CG 4.33Å; Y227-K231 PolarHBondContact O-N 3.3Å; Y227-K231 WeakPolarHBondContact OH-CE 3.4Å; Y227-K231 PolarHBondContact OH-NZ 3.31Å
228H70.9Confident76.3Confident118 Ų118105.9 Ų105.955%0.54652%0.518SS..Hα-helixtrans-66.4-40.4175.1-171.866000111.9A224 E225 D226 C230 K231 I232A224-H228 WeakPolarHBondContact O-CB 3.47Å; A224-H228 PolarHBondContact O-N 3.24Å; E225-H228 PolarHBondContact O-N 3.45Å; D226-H228 VanDerWaalsContact C-N 3.32Å; D226-H228 PolarHBondContact O-N 2.84Å; H228-C230 VanDerWaalsContact C-N 3.31Å; H228-C230 PolarHBondContact O-N 2.8Å; H228-K231 PolarHBondContact O-N 3Å; H228-I232 VanDerWaalsContact NE2-CD1 3.33Å; H228-I232 WeakPolarHBondContact NE2-CD1 3.4Å; H228-I232 PolarHBondContact O-N 3.09Å
229K67.7Low75.2Confident95 Ų95104.5 Ų104.541%0.41352%0.522SS..Hα-helixtrans-61.8-36.9174.4-77.5175.7-161.7156.80112.7E225 D226 R237E225-K229 WeakPolarHBondContact O-CB 3.46Å; E225-K229 VanDerWaalsContact O-CG 3.29Å; E225-K229 WeakPolarHBondContact O-CG 3.38Å; E225-K229 PolarHBondContact O-N 3.34Å; D226-K229 WeakPolarHBondContact O-CB 3.49Å; D226-K229 PolarHBondContact O-N 3.48Å; D226-K229 IonicContact OD1-NZ 2.98Å; D226-K229 PolarHBondContact OD1-NZ 3.15Å; K229-R237 VanDerWaalsContact CA-NH2 3.26Å; K229-R237 PolarHBondContact O-NH2 2.99Å
230C69.1Low74.2Confident114 Ų114105 Ų10577%0.7753%0.527SS*.Hα-helixtrans-77.6-27.2178-68.70000113.1D226 Y227 H228D226-C230 WeakPolarHBondContact O-CB 3.49Å; D226-C230 PolarHBondContact O-N 2.88Å; D226-C230 PolarHBondContact O-SG 2.93Å; Y227-C230 PolarHBondContact O-N 2.88Å; H228-C230 VanDerWaalsContact C-N 3.31Å; H228-C230 PolarHBondContact O-N 2.8Å
231K69.9Low73.1Confident135 Ų135103.1 Ų103.159%0.58752%0.522SS*.Hα-helixtrans-76.3-25.1175-87.9-166.6166.91800114.1Y227 H228 P233Y227-K231 HydrophobicContact CD1-CD 4.28Å; Y227-K231 HydrophobicContact CE1-CD 3.65Å; Y227-K231 VanDerWaalsContact CE1-CE 3.46Å; Y227-K231 HydrophobicContact CE1-CG 4.33Å; Y227-K231 PolarHBondContact O-N 3.3Å; Y227-K231 WeakPolarHBondContact OH-CE 3.4Å; Y227-K231 PolarHBondContact OH-NZ 3.31Å; H228-K231 PolarHBondContact O-N 3Å; K231-P233 WeakPolarHBondContact O-CD 3.28Å
232I66.8Low72.5Confident37 Ų3799.6 Ų99.619%0.1952%0.517CS..SBendtrans-91.5114.1177.3-61.1174.9000108.6H228 A236 R237H228-I232 VanDerWaalsContact NE2-CD1 3.33Å; H228-I232 WeakPolarHBondContact NE2-CD1 3.4Å; H228-I232 PolarHBondContact O-N 3.09Å; I232-A236 HydrophobicContact CG2-CB 3.93Å; I232-R237 HydrophobicContact CG2-CB 4.16Å
233P71.2Confident71.9Confident72 Ų72100.7 Ų100.747%0.46852%0.521SS..  trans-60.6145.4176.321.3-28.8000110.5K231 S235 A236 R237K231-P233 WeakPolarHBondContact O-CD 3.28Å; P233-S235 PolarHBondContact O-N 3.28Å; P233-A236 HydrophobicContact CG-CB 3.93Å; P233-A236 PolarHBondContact O-N 3.35Å; P233-R237 PolarHBondContact O-N 3.45Å
234P66.3Low71.3Confident114 Ų11497.5 Ų97.574%0.7452%0.518SS*.Hα-helixtrans-53.5-31.2-174.8-27.533.9000114.5R237 K238P234-R237 PolarHBondContact O-N 3.25Å; P234-K238 PolarHBondContact O-N 2.92Å
235S65.7Low70.7Confident90 Ų90103.9 Ų103.963%0.62953%0.53SS*.Hα-helixtrans-66.5-43.617652.90000113.1P233 R237 K238 A239P233-S235 PolarHBondContact O-N 3.28Å; S235-R237 VanDerWaalsContact C-N 3.29Å; S235-R237 PolarHBondContact O-N 3.46Å; S235-K238 PolarHBondContact O-N 2.97Å; S235-A239 PolarHBondContact O-N 3.43Å
236A66.1Low70Confident36 Ų36105.9 Ų105.930%0.29854%0.54SS..Hα-helixtrans-68.2-28.817800000112.2I232 P233 A239 L240I232-A236 HydrophobicContact CG2-CB 3.93Å; P233-A236 HydrophobicContact CG-CB 3.93Å; P233-A236 PolarHBondContact O-N 3.35Å; A236-A239 PolarHBondContact O-N 3.45Å; A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 PolarHBondContact O-N 2.88Å
237R66.5Low69.1Low110 Ų110103.6 Ų103.642%0.41553%0.532SS..Hα-helixtrans-67-39.3174.4-161-175.5-70.4178.35.8112K229 I232 P233 P234 S235 C241K229-R237 VanDerWaalsContact CA-NH2 3.26Å; K229-R237 PolarHBondContact O-NH2 2.99Å; I232-R237 HydrophobicContact CG2-CB 4.16Å; P233-R237 PolarHBondContact O-N 3.45Å; P234-R237 PolarHBondContact O-N 3.25Å; S235-R237 VanDerWaalsContact C-N 3.29Å; S235-R237 PolarHBondContact O-N 3.46Å; R237-C241 WeakPolarHBondContact O-CB 3.46Å; R237-C241 PolarHBondContact O-N 3.46Å; R237-C241 PolarHBondContact O-SG 2.9Å; R237-C241 VanDerWaalsContact O-SG 3.39Å
238K67.9Low68.5Low158 Ų15899 Ų9969%0.68753%0.525SS*.Hα-helixtrans-64.5-42.4173.9-80.5-174.6177.4-179.50111.8P234 S235 C241 N242P234-K238 PolarHBondContact O-N 2.92Å; S235-K238 PolarHBondContact O-N 2.97Å; K238-C241 PolarHBondContact O-N 2.98Å; K238-N242 WeakPolarHBondContact O-CB 3.02Å; K238-N242 VanDerWaalsContact O-CG 3.32Å; K238-N242 PolarHBondContact O-N 3.29Å
239A68.8Low68.1Low63 Ų6395 Ų9552%0.52151%0.513SS..Hα-helixtrans-62.8-44176.800000112.2S235 A236 N242 W243S235-A239 PolarHBondContact O-N 3.43Å; A236-A239 PolarHBondContact O-N 3.45Å; A239-N242 PolarHBondContact O-N 3.29Å; A239-W243 WeakPolarHBondContact O-CB 3.43Å; A239-W243 PolarHBondContact O-N 3.42Å
240L68.3Low67.6Low92 Ų9297.2 Ų97.248%0.48252%0.524SS..Hα-helixtrans-62.8-45.4174.7-99.2151.6000112.8A236 N242 W243 V244A236-L240 WeakPolarHBondContact O-CB 3.3Å; A236-L240 PolarHBondContact O-N 2.88Å; L240-N242 VanDerWaalsContact C-N 3.33Å; L240-N242 PolarHBondContact O-N 3.21Å; L240-W243 PolarHBondContact O-N 2.88Å; L240-V244 WeakPolarHBondContact O-CB 3.29Å; L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.31Å
241C67.6Low66.8Low74 Ų7499 Ų9950%0.552%0.521SS..Hα-helixtrans-63.9-37.9176.8-74.30000112.4R237 K238 R245R237-C241 WeakPolarHBondContact O-CB 3.46Å; R237-C241 PolarHBondContact O-N 3.46Å; R237-C241 PolarHBondContact O-SG 2.9Å; R237-C241 VanDerWaalsContact O-SG 3.39Å; K238-C241 PolarHBondContact O-N 2.98Å; C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CG 3.37Å; C241-R245 PolarHBondContact O-N 2.88Å
242N73.9Confident65.9Low103 Ų103102 Ų10255%0.55153%0.529SS*.Hα-helixtrans-67.8-41.8175.1-75.6-7.7000111.4K238 A239 L240 R245 M246K238-N242 WeakPolarHBondContact O-CB 3.02Å; K238-N242 VanDerWaalsContact O-CG 3.32Å; K238-N242 PolarHBondContact O-N 3.29Å; A239-N242 PolarHBondContact O-N 3.29Å; L240-N242 VanDerWaalsContact C-N 3.33Å; L240-N242 PolarHBondContact O-N 3.21Å; N242-R245 PolarHBondContact O-N 3.46Å; N242-M246 WeakPolarHBondContact O-CB 3.48Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.43Å; N242-M246 PolarHBondContact O-N 2.95Å
243W73.2Confident65.3Low181 Ų181108 Ų10869%0.68656%0.556SS**Hα-helixtrans-63.9-43.4176.1-173.576.4000112.3A239 L240 R245 M246 A247A239-W243 WeakPolarHBondContact O-CB 3.43Å; A239-W243 PolarHBondContact O-N 3.42Å; L240-W243 PolarHBondContact O-N 2.88Å; W243-R245 VanDerWaalsContact C-N 3.34Å; W243-R245 PolarHBondContact O-N 3.21Å; W243-M246 PolarHBondContact O-N 2.87Å; W243-A247 WeakPolarHBondContact O-CB 3.33Å; W243-A247 PolarHBondContact O-N 3.28Å
244V74.9Confident64.4Low85 Ų85109.8 Ų109.852%0.51557%0.57SS.*Hα-helixtrans-64-37.9174.81720000111.6L240 A248L240-V244 WeakPolarHBondContact O-CB 3.29Å; L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.48Å; L240-V244 PolarHBondContact O-N 3.31Å; V244-A248 VanDerWaalsContact O-CB 3.28Å; V244-A248 WeakPolarHBondContact O-CB 3.46Å; V244-A248 PolarHBondContact O-N 3.3Å
245R70.7Confident63.9Low195 Ų195107.5 Ų107.574%0.73656%0.557SS**Hα-helixtrans-66.3-39.9173.5-81.2-17773.11500.9112.5C241 N242 W243 A248 A249C241-R245 WeakPolarHBondContact O-CB 3.49Å; C241-R245 WeakPolarHBondContact O-CG 3.37Å; C241-R245 PolarHBondContact O-N 2.88Å; N242-R245 PolarHBondContact O-N 3.46Å; W243-R245 VanDerWaalsContact C-N 3.34Å; W243-R245 PolarHBondContact O-N 3.21Å; R245-A248 PolarHBondContact O-N 3.02Å; R245-A249 WeakPolarHBondContact O-CB 3.47Å; R245-A249 PolarHBondContact O-N 3.38Å
246M65.4Low63.3Low126 Ų126106.8 Ų106.862%0.62156%0.563SS**Hα-helixtrans-66.8-46.4176.4-73.4-60.2-62.300111.3N242 W243 A248 A249 E250N242-M246 WeakPolarHBondContact O-CB 3.48Å; N242-M246 VanDerWaalsContact O-CG 3.31Å; N242-M246 WeakPolarHBondContact O-CG 3.43Å; N242-M246 PolarHBondContact O-N 2.95Å; W243-M246 PolarHBondContact O-N 2.87Å; M246-A248 VanDerWaalsContact C-N 3.29Å; M246-A248 PolarHBondContact O-N 3.43Å; M246-A249 CarbonylContact O-C 3.6Å; M246-A249 WeakPolarHBondContact O-CB 3.31Å; M246-A249 PolarHBondContact O-N 2.98Å; M246-A249 VanDerWaalsContact O-N 3.09Å; M246-E250 VanDerWaalsContact O-CB 3.3Å; M246-E250 WeakPolarHBondContact O-CB 3.49Å; M246-E250 PolarHBondContact O-N 3.39Å
247A64.2Low62.8Low31 Ų31111.7 Ų111.726%0.25658%0.583SS.*Hα-helixtrans-61.6-36.4176.100000112.3W243 H251W243-A247 WeakPolarHBondContact O-CB 3.33Å; W243-A247 PolarHBondContact O-N 3.28Å; A247-H251 WeakPolarHBondContact O-CB 3.45Å; A247-H251 PolarHBondContact O-N 3.47Å
248A62.8Low61.8Low50 Ų50111.4 Ų111.441%0.41360%0.596SS.*Hα-helixtrans-71.1-34.3173.900000113V244 R245 M246 R252V244-A248 VanDerWaalsContact O-CB 3.28Å; V244-A248 WeakPolarHBondContact O-CB 3.46Å; V244-A248 PolarHBondContact O-N 3.3Å; R245-A248 PolarHBondContact O-N 3.02Å; M246-A248 VanDerWaalsContact C-N 3.29Å; M246-A248 PolarHBondContact O-N 3.43Å; A248-R252 WeakPolarHBondContact O-CG 3.4Å; A248-R252 PolarHBondContact O-N 2.9Å
249A63.2Low60.7Low35 Ų35113.2 Ų113.229%0.28960%0.6SS.*Hα-helixtrans-69.5-40.917300000111.3R245 M246 R252 H253R245-A249 WeakPolarHBondContact O-CB 3.47Å; R245-A249 PolarHBondContact O-N 3.38Å; M246-A249 CarbonylContact O-C 3.6Å; M246-A249 WeakPolarHBondContact O-CB 3.31Å; M246-A249 PolarHBondContact O-N 2.98Å; M246-A249 VanDerWaalsContact O-N 3.09Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.38Å; A249-R252 VanDerWaalsContact O-N 3.1Å; A249-H253 PolarHBondContact O-CD2 2.94Å; A249-H253 PolarHBondContact O-N 2.98Å
250E56.2Low59.4Low141 Ų141121.2 Ų121.266%0.65962%0.617SS**Hα-helixtrans-65.4-42177.8-164.6167.3-163.500111.7M246 R252 H253 S254M246-E250 VanDerWaalsContact O-CB 3.3Å; M246-E250 WeakPolarHBondContact O-CB 3.49Å; M246-E250 PolarHBondContact O-N 3.39Å; E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.29Å; E250-H253 PolarHBondContact O-N 3.41Å; E250-S254 PolarHBondContact O-N 3.27Å
251H53.4Low58.7Low152 Ų152120.2 Ų120.270%0.70462%0.616SS**Hα-helixtrans-60.7-33.9169.9-106.4-72.6000113.2A247A247-H251 WeakPolarHBondContact O-CB 3.45Å; A247-H251 PolarHBondContact O-N 3.47Å
252R51.8Low57.3Low197 Ų197127.3 Ų127.374%0.74363%0.634SS**Hα-helixtrans-72.4-39.9176.2-77.5179.1179.3-171.7-0.4112A248 A249 E250 S254 S255A248-R252 WeakPolarHBondContact O-CG 3.4Å; A248-R252 PolarHBondContact O-N 2.9Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.38Å; A249-R252 VanDerWaalsContact O-N 3.1Å; E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.29Å; R252-S254 VanDerWaalsContact C-N 3.33Å; R252-S254 PolarHBondContact O-N 3.5Å; R252-S255 PolarHBondContact O-N 3.42Å; R252-S255 PolarHBondContact O-OG 2.98Å
253H52.7Low55.7Low163 Ų163130 Ų13076%0.75565%0.647SS**Hα-helixtrans-67.9-30.6176.7-71-61.3000113.1A249 E250 S255A249-H253 PolarHBondContact O-CD2 2.94Å; A249-H253 PolarHBondContact O-N 2.98Å; E250-H253 PolarHBondContact O-N 3.41Å; H253-S255 VanDerWaalsContact C-N 3.28Å; H253-S255 PolarHBondContact O-N 2.98Å
254S53.5Low54Low109 Ų109130.1 Ų130.176%0.76268%0.676SS**THydrogen-bonded Turntrans-77.6-8174.5-165.80000114.3E250 R252E250-S254 PolarHBondContact O-N 3.27Å; R252-S254 VanDerWaalsContact C-N 3.33Å; R252-S254 PolarHBondContact O-N 3.5Å
255S54.9Low52.9Low67 Ų67132.4 Ų132.447%0.46968%0.684SS.*THydrogen-bonded Turntrans-94.8-2.3-176.169.30000114.9R252 H253 L257R252-S255 PolarHBondContact O-N 3.42Å; R252-S255 PolarHBondContact O-OG 2.98Å; H253-S255 VanDerWaalsContact C-N 3.28Å; H253-S255 PolarHBondContact O-N 2.98Å; S255-L257 PolarHBondContact O-N 3.24Å
256G54.2Low52Low74 Ų74129.1 Ų129.176%0.76368%0.681SS**THydrogen-bonded Turntrans61.813.6170.300000116.5
257L54.8Low51.3Low139 Ų139129.3 Ų129.373%0.72869%0.685SS**PPolyproline II helixtrans-90.4134.7-178.2-79.8164.2000111.6S255S255-L257 PolarHBondContact O-N 3.24Å
258P45.3Very low50.5Low105 Ų105135.1 Ų135.168%0.68271%0.71SS**PPolyproline II helixtrans-68.5134.1-17626.9-32.1000111.5
259Y45.7Very low49.7Very low196 Ų196140.4 Ų140.477%0.76973%0.728SS**PPolyproline II helixtrans-71.6121.5177.4173.4-107.3000111P261Y259-P261 HydrophobicContact CD1-CG 4.26Å; Y259-P261 HydrophobicContact CE1-CB 3.71Å; Y259-P261 HydrophobicContact CE1-CG 3.65Å
260W41.1Very low48.8Very low230 Ų230147.4 Ų147.487%0.87176%0.758SS**  trans-111.5109.1164.4-84.494.9000109.2Y262W260-Y262 PolarHBondContact O-N 3.02Å
261P53.6Low48.3Very low72 Ų72147.9 Ų147.947%0.46877%0.765SS.*  trans-75.3114.5170.527.2-23.8000108.5Y259 L263Y259-P261 HydrophobicContact CD1-CG 4.26Å; Y259-P261 HydrophobicContact CE1-CB 3.71Å; Y259-P261 HydrophobicContact CE1-CG 3.65Å; P261-L263 PolarHBondContact O-N 3.29Å
262Y37.5Very low47.9Very low223 Ų223147.5 Ų147.588%0.87577%0.769SS**  trans-75.9108.5162.4-132.5-94000107.4W260 S264W260-Y262 PolarHBondContact O-N 3.02Å; Y262-S264 PolarHBondContact O-N 3.42Å
263L40.9Very low47.6Very low159 Ų159143.4 Ų143.483%0.83277%0.772SS**  trans-65.6117.9163.9-82.3157.6000108.7P261P261-L263 PolarHBondContact O-N 3.29Å
264S36.8Very low47.1Very low184 Ų184141.6 Ų141.6100%1.28777%0.773SS**  trans-165.70150.6-69.60000108.8Y262Y262-S264 PolarHBondContact O-N 3.42Å

Retrieved 264 of 264 residues in 258.1 ms (Link to these results)