A0A096NWF9_PAPAN Loading...

Metalloendopeptidase

Oocyte-specific oolemmal receptor involved in sperm and egg adhesion and fertilization. Plays a role in the polyspermy inhibition. Probably acts as a protease for the post-fertilization cleavage of ZP2. Cleaves the sperm-binding ZP2 at the surface of the zona pellucida after fertilization and cortical granule exocytosis, rendering the zona pellucida unable to support further sperm binding.

AlphaFold DB , UniProt , Accession A0A096NWF9, Species PAPAN (Papio anubis, Olive baboon), Gene ASTL, Length 431 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.8Very low36.4Very low225 Ų225153 Ų153100%1.10885%0.852SS**  075.30-65.5170.4165.700106.8
2E35Very low36.6Very low192 Ų192154.3 Ų154.390%0.89786%0.855SS**  72.2142.555.5-64.2-178.4121.400114.7
3G33.9Very low36.2Very low69 Ų69148.7 Ų148.771%0.71185%0.854SS**  trans97.596.4172.800000113.7
4V37Very low36.3Very low153 Ų153149.1 Ų149.193%0.92785%0.85SS**  cis86.6117.846-179.80000114.7
5G31.9Very low35.9Very low78 Ų78150.7 Ų150.780%0.80485%0.854SS**  trans113.4138.6131.100000121.1
6G31.6Very low35.7Very low73 Ų73146.6 Ų146.675%0.75384%0.838SS**  trans106.6106.8159.800000115.4
7L33.5Very low35.6Very low168 Ų168147.5 Ų147.588%0.8884%0.839SS**  76.2107.552.7-76.5154000116.7
8W33.2Very low36.4Very low241 Ų241146.2 Ų146.291%0.91384%0.836SS**  trans9.1173.1140.4-77.90.5000122.6
9P55.4Low36.1Very low94 Ų94142.7 Ų142.761%0.6184%0.836SS**  cis-137.3-170.5-35.639.2-21.4000112.4
10W36.8Very low36Very low260 Ų260144.1 Ų144.199%0.98584%0.836SS**  trans-136.1162.2162.4-84.387.2000113
11V37.7Very low35.9Very low130 Ų130145.3 Ų145.379%0.78884%0.838SS**  trans-117.9160.9-151.9173.70000114.2
12L38.2Very low35.8Very low169 Ų169142 Ų14289%0.88582%0.824SS**  trans-54.3157.2176-72.8153000116.7
13G32Very low35.5Very low81 Ų81136.2 Ų136.284%0.83582%0.815SS**  trans-161.5128.8160.800000111.8
14L37Very low35.6Very low154 Ų154137.6 Ų137.681%0.80682%0.82SS**  trans-135139.3-169.4-142.7163.4000108.8
15L30.9Very low36Very low173 Ų173136.1 Ų136.191%0.90681%0.814SS**  trans-168.9168.8159.9-106.7163.6000111.9
16S32.7Very low36Very low85 Ų85140.5 Ų140.559%0.59482%0.818SS**  trans-127.5147.1-139.4-52.30000118
17L34.2Very low36.4Very low163 Ų163141.2 Ų141.285%0.85382%0.816SS**  trans62.2170.3139.3-72171.8000120.6
18P49.3Very low36.2Very low123 Ų123138.4 Ų138.480%0.79981%0.811SS**  cis-131.9174.5-21.428.5-7.7000115
19G31.1Very low36.3Very low80 Ų80132 Ų13283%0.82580%0.803SS**  trans-171.9131.5164.700000113.9
20M33Very low35.3Very low171 Ų171133.2 Ų133.284%0.84281%0.812SS**  trans-92.3159.3-173-63.2-160.9-158.900114.8
21I35.6Very low35.8Very low170 Ų170126.5 Ų126.587%0.87280%0.802SS**  -168.6145.7109.6-94.6160.7000111.1
22L31.7Very low35.6Very low155 Ų155123.8 Ų123.881%0.81280%0.801SS**  trans-85164.9-179.4-88.775.4000113.6
23G29.3Very low35.4Very low70 Ų70120.6 Ų120.672%0.72280%0.799SS**  trans-103.7-140.3165.100000113.9
24A35.6Very low35.3Very low98 Ų98123 Ų12381%0.8180%0.801SS**  trans99.4156.1-170.400000113.1
25P45.1Very low35Very low123 Ų123118.9 Ų118.980%0.79980%0.796SS**  cis-125-168.815.226.9-2.9000113.9
26L32.9Very low34.9Very low170 Ų170117.2 Ų117.289%0.8979%0.793SS**  cis-164.9164.4-42-170.171000106.6
27A38.8Very low34.7Very low87 Ų87118.2 Ų118.272%0.71980%0.8SS**  trans-89.5166.4-168.100000117.3
28S30.3Very low34.6Very low110 Ų110120 Ų12077%0.76980%0.802SS**  trans-154.1109.2147.157.80000108.3
29S35.3Very low33.8Very low107 Ų107119.8 Ų119.875%0.74880%0.8SS**  64.2115.772.4-56.90000111
30C33.9Very low34.2Very low119 Ų119124.1 Ų124.180%0.80480%0.804SS**  178.6-176.262.2-99.70000110
31P46.6Very low34.2Very low119 Ų119119 Ų11977%0.77380%0.795SS**  cis-143.5169.8-40.840.1-22.9000116.4
32G33.5Very low34Very low73 Ų73119.3 Ų119.375%0.75380%0.798SS**  trans87.5113.2152.400000118
33A35Very low33.9Very low102 Ų102117.1 Ų117.184%0.84379%0.791SS**  cis75.4134.340.400000113.4
34C29.2Very low34.4Very low131 Ų131120.1 Ų120.189%0.88580%0.798SS**  cis-134.3170.92.8-70.40000108.5
35G31.1Very low34.4Very low68 Ų68123.3 Ų123.370%0.70180%0.796SS**  cis119.3105.113.500000111.2
36T28.9Very low33.8Very low138 Ų138121.3 Ų121.385%0.84780%0.797SS**  trans-155.8135.4168.333.80000113.4
37S28.1Very low33.9Very low106 Ų106118.2 Ų118.274%0.74179%0.786SS**  trans36111.8150.960.10000121
38F32.8Very low33.8Very low201 Ų201123.2 Ų123.288%0.88279%0.794SS**  trans-69.8135.8145.1-69.2-92.3000109.6
39P32.9Very low34.2Very low118 Ų118121.5 Ų121.577%0.76679%0.787SS**  trans-86107157.921.5-8.5000109.3G41P39-G41 PolarHBondContact O-N 3.37Å
40D38.5Very low34.7Very low170 Ų170121 Ų12191%0.90978%0.783SS**  trans-61.2117156.8-83.3-48.5000108.2
41G32.9Very low35Very low64 Ų64126 Ų12666%0.6679%0.785SS**  trans163.839.7-173.100000116.2P39P39-G41 PolarHBondContact O-N 3.37Å
42L31.4Very low35.2Very low176 Ų176125.3 Ų125.392%0.92178%0.775SS**  trans-102.290.5166.9-69179.8000109.9
43T28.8Very low36.6Very low110 Ų110128 Ų12868%0.67577%0.766SS**  trans-62.4143.3162.644.60000109.9E45T43-E45 PolarHBondContact O-N 3.16Å
44P40.3Very low38.8Very low133 Ų133124 Ų12486%0.86473%0.731SS**SBendtrans-80.658.2179.434.8-36.4000111.7
45E36.1Very low41.5Very low165 Ų165117.8 Ų117.877%0.77169%0.688SS**  trans-125.934174.2-92.9-171.8129.700112.7T43 T47T43-E45 PolarHBondContact O-N 3.16Å; E45-T47 PolarHBondContact O-N 2.75Å
46G32.6Very low44.3Very low80 Ų80114.7 Ų114.783%0.82566%0.656SS**  trans-76.658.8157.600000111.4Q48G46-Q48 PolarHBondContact O-N 3.27Å
47T33.6Very low47Very low106 Ų106110.5 Ų110.565%0.6564%0.635SS**  trans-59.5135.9-177.1-46.80000110.7E45 A49E45-T47 PolarHBondContact O-N 2.75Å; T47-A49 HydrophobicContact CG2-CB 4.37Å; T47-A49 PolarHBondContact O-N 3.13Å
48Q37.8Very low49.9Very low192 Ų192106.9 Ų106.990%0.89761%0.607SS**SBendtrans-64.561.9-179.9-167.899.614.600112.6G46G46-Q48 PolarHBondContact O-N 3.27Å
49A39.2Very low52.7Low73 Ų7397.3 Ų97.360%0.60357%0.565SS**  trans-132.2-0.2-162.400000115.7T47T47-A49 HydrophobicContact CG2-CB 4.37Å; T47-A49 PolarHBondContact O-N 3.13Å
50S44.9Very low55Low96 Ų9695.1 Ų95.167%0.67155%0.545SS*.SBendtrans-102.1-26.6-175.4-175.10000114.3
51W39.9Very low56.9Low226 Ų22691 Ų9186%0.85654%0.543SS*.SBendtrans-106.5146.3-178.3-49.991.6000109.1
52D50.6Low59.3Low104 Ų10489.9 Ų89.956%0.55652%0.521SS*.  trans69.841.8-179.8-57.4-9.4000119D54D52-D54 PolarHBondContact O-N 3.09Å
53K63.8Low61.6Low130 Ų13081.8 Ų81.857%0.56548%0.479SS*.  trans-66.177.3140.2-67.1-172-177.8-178.10109.9I58 K175K53-I58 HydrophobicContact CB-CG1 4.24Å; K53-K175 PolarHBondContact O-NZ 2.83Å
54D81.2Confident63.8Low18 Ų1879.1 Ų79.110%0.09646%0.464CS..  trans-77.2168.2166.2-1666.7000109.4D52 A57 I58 G239 R264D52-D54 PolarHBondContact O-N 3.09Å; D54-A57 WeakPolarHBondContact O-CA 3.38Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 3.07Å; D54-I58 PolarHBondContact O-N 3.42Å; D54-G239 PolarHBondContact OD2-N 3.19Å; D54-R264 IonicContact OD1-CZ 3.7Å; D54-R264 IonicContact OD1-NE 2.74Å; D54-R264 IonicContact OD1-NH2 3.53Å; D54-R264 PolarHBondContact OD1-NH2 3.32Å
55I86.6Confident65.4Low0 Ų078.5 Ų78.50%045%0.449CS..Hα-helixtrans-54.3-45.8-174.1-59171000112.6A57 I58 N59 D77 C153 I179 H182I55-A57 PolarHBondContact O-N 3.23Å; I55-I58 PolarHBondContact O-N 2.95Å; I55-N59 PolarHBondContact O-N 3.29Å; I55-D77 HydrophobicContact CG2-CB 3.68Å; I55-D77 VanDerWaalsContact CG2-OD2 3.24Å; I55-D77 WeakPolarHBondContact CG2-OD2 3.35Å; I55-C153 HydrophobicContact CG2-CB 4.06Å; I55-I179 HydrophobicContact CD1-CB 4.48Å; I55-I179 HydrophobicContact CD1-CG1 4.28Å; I55-I179 HydrophobicContact CD1-CG2 3.92Å; I55-I179 HydrophobicContact CG1-CD1 4.26Å; I55-I179 HydrophobicContact CG1-CG1 4.04Å; I55-I179 HydrophobicContact CG1-CG2 4Å; I55-H182 HydrophobicContact CD1-CB 4.1Å; I55-H182 WeakPolarHBondContact CD1-CD2 3.3Å
56P88.3Confident67.1Low3 Ų379.2 Ų79.22%0.01945%0.452CS..Hα-helixtrans-51.7-38.1172.1-33.339.7000115Q60 Y238 A242 F243P56-Q60 PolarHBondContact O-N 3.22Å; P56-Q60 VanDerWaalsContact O-N 3.07Å; P56-Y238 HydrophobicContact CG-CD1 4.16Å; P56-Y238 HydrophobicContact CG-CE1 3.77Å; P56-Y238 HydrophobicContact CG-CE2 4.26Å; P56-A242 HydrophobicContact CB-CB 4.46Å; P56-A242 HydrophobicContact CG-CB 4.1Å; P56-F243 HydrophobicContact CB-CD1 4.31Å; P56-F243 HydrophobicContact CB-CD2 4.2Å; P56-F243 HydrophobicContact CB-CE1 3.89Å; P56-F243 HydrophobicContact CB-CE2 3.79Å; P56-F243 HydrophobicContact CB-CG 4.46Å; P56-F243 HydrophobicContact CB-CZ 3.63Å; P56-F243 HydrophobicContact CG-CE2 4.06Å; P56-F243 HydrophobicContact CG-CZ 4.25Å
57A87.1Confident69.1Low50 Ų5078.1 Ų78.141%0.41343%0.43SS..Hα-helixtrans-80-26.5179.700000112.7D54 I55D54-A57 WeakPolarHBondContact O-CA 3.38Å; D54-A57 WeakPolarHBondContact O-CB 3.48Å; D54-A57 PolarHBondContact O-N 3.07Å; I55-A57 PolarHBondContact O-N 3.23Å
58I88.8Confident70.9Confident30 Ų3073.4 Ų73.415%0.15440%0.401CS..Hα-helixtrans-71.7-37.1170.5-60.2170.4000110.1K53 D54 I55 I179K53-I58 HydrophobicContact CB-CG1 4.24Å; D54-I58 PolarHBondContact O-N 3.42Å; I55-I58 PolarHBondContact O-N 2.95Å; I58-I179 HydrophobicContact CD1-CD1 3.86Å
59N91.2Very high72.6Confident0 Ų069.2 Ų69.20%038%0.381CS..Hα-helixtrans-89.2-3.9-176.8-721.2000115.1I55 G61 L62 G76 D77 G152 C153I55-N59 PolarHBondContact O-N 3.29Å; N59-G61 PolarHBondContact O-N 3.39Å; N59-G61 VanDerWaalsContact O-N 3.12Å; N59-L62 HydrophobicContact CB-CD1 4.43Å; N59-L62 WeakPolarHBondContact O-CA 3.4Å; N59-L62 WeakPolarHBondContact O-CB 3.23Å; N59-L62 PolarHBondContact O-N 2.94Å; N59-G76 WeakPolarHBondContact CB-O 3.39Å; N59-G76 PolarHBondContact ND2-O 3.19Å; N59-D77 WeakPolarHBondContact ND2-CB 3.21Å; N59-G152 WeakPolarHBondContact OD1-CA 3.35Å; N59-C153 PolarHBondContact ND2-O 2.66Å; N59-C153 PolarHBondContact OD1-N 2.97Å; N59-C153 PolarHBondContact OD1-O 2.79Å
60Q80.8Confident74.3Confident72 Ų7269 Ų6934%0.33638%0.375SS..G310 helixtrans-53.1-40.1-175.1-174175.5-12.200112.4P56 L62 I63 E65P56-Q60 PolarHBondContact O-N 3.22Å; P56-Q60 VanDerWaalsContact O-N 3.07Å; Q60-L62 PolarHBondContact O-N 2.82Å; Q60-L62 VanDerWaalsContact O-N 3.17Å; Q60-I63 PolarHBondContact O-N 2.73Å; Q60-E65 PolarHBondContact NE2-OE1 3.07Å
61G79.9Confident76.2Confident84 Ų8464.6 Ų64.687%0.86635%0.345SS*.G310 helixtrans-70.6-2.3176.300000116.3N59N59-G61 PolarHBondContact O-N 3.39Å; N59-G61 VanDerWaalsContact O-N 3.12Å
62L82.5Confident78.5Confident39 Ų3958.4 Ų58.420%0.20432%0.324CS..G310 helixtrans-99.1-13.7173.1-60179.1000113.1N59 Q60 F72 L73 Y151 F154N59-L62 HydrophobicContact CB-CD1 4.43Å; N59-L62 WeakPolarHBondContact O-CA 3.4Å; N59-L62 WeakPolarHBondContact O-CB 3.23Å; N59-L62 PolarHBondContact O-N 2.94Å; Q60-L62 PolarHBondContact O-N 2.82Å; Q60-L62 VanDerWaalsContact O-N 3.17Å; L62-F72 HydrophobicContact CB-CE1 4.32Å; L62-F72 HydrophobicContact CB-CZ 4.4Å; L62-F72 HydrophobicContact CD1-CZ 4.4Å; L62-L73 HydrophobicContact CB-CD1 4.16Å; L62-L73 HydrophobicContact CD1-CD1 4.04Å; L62-Y151 WeakPolarHBondContact CD1-O 3.37Å; L62-F154 HydrophobicContact CD1-CD1 3.92Å; L62-F154 HydrophobicContact CD1-CE1 3.98Å
63I79.8Confident80.4Confident7 Ų753.6 Ų53.64%0.03630%0.298CS..SBendtrans-105.9112.1-175.6-55.9167.9000106.7Q60 E65 P68 F214 F243Q60-I63 PolarHBondContact O-N 2.73Å; I63-E65 PolarHBondContact O-N 2.79Å; I63-E65 VanDerWaalsContact O-N 3.13Å; I63-P68 HydrophobicContact CG2-CB 3.9Å; I63-F214 HydrophobicContact CB-CE1 3.88Å; I63-F214 HydrophobicContact CB-CZ 4.29Å; I63-F214 HydrophobicContact CD1-CE1 4.03Å; I63-F214 HydrophobicContact CG2-CD1 4.21Å; I63-F214 HydrophobicContact CG2-CE1 3.43Å; I63-F214 VanDerWaalsContact CG2-CE1 3.43Å; I63-F214 HydrophobicContact CG2-CZ 3.83Å; I63-F243 HydrophobicContact CD1-CE1 3.84Å; I63-F243 HydrophobicContact CD1-CZ 3.93Å
64P75.8Confident81.7Confident54 Ų5449.2 Ų49.235%0.35128%0.28SS..  trans-61.6117.5-177.6-21.933.2000110.8E66 T67 P68P64-E66 PolarHBondContact O-N 2.95Å; P64-T67 CarbonylContact O-C 3.22Å; P64-T67 PolarHBondContact O-N 2.87Å; P64-T67 VanDerWaalsContact O-N 3.12Å; P64-P68 WeakPolarHBondContact O-CA 3.23Å; P64-P68 WeakPolarHBondContact O-CD 3.49Å; P64-P68 WeakPolarHBondContact O-CG 3.41Å
65E73.5Confident82.3Confident120 Ų12049 Ų4956%0.56128%0.279SS*.THydrogen-bonded Turntrans-61.9-32.5-177-62.7-167.9151.800112.5Q60 I63 F214Q60-E65 PolarHBondContact NE2-OE1 3.07Å; I63-E65 PolarHBondContact O-N 2.79Å; I63-E65 VanDerWaalsContact O-N 3.13Å; E65-F214 HydrophobicContact CG-CZ 4.44Å
66E72.3Confident82.6Confident180 Ų18049 Ų4984%0.84128%0.279SS*.THydrogen-bonded Turntrans-74.3-23178-57.3-64.816900113.9P64P64-E66 PolarHBondContact O-N 2.95Å
67T72.8Confident82.9Confident57 Ų5748.9 Ų48.935%0.3528%0.278SS..  trans-149.462.6-177.247.20000111.8P64 E69 S70P64-T67 CarbonylContact O-C 3.22Å; P64-T67 PolarHBondContact O-N 2.87Å; P64-T67 VanDerWaalsContact O-N 3.12Å; T67-E69 WeakPolarHBondContact CA-OE1 3.28Å; T67-E69 VanDerWaalsContact CB-OE1 3.24Å; T67-E69 WeakPolarHBondContact CB-OE1 3.31Å; T67-E69 PolarHBondContact O-N 2.75Å; T67-E69 VanDerWaalsContact O-N 3.17Å; T67-S70 WeakPolarHBondContact CB-OG 3.06Å; T67-S70 WeakPolarHBondContact O-CB 3.08Å; T67-S70 PolarHBondContact O-N 3.36Å; T67-S70 PolarHBondContact O-OG 3.32Å; T67-S70 PolarHBondContact OG1-OG 3.45Å; T67-S70 VanDerWaalsContact OG1-OG 3.11Å
68P72.8Confident83.3Confident7 Ų746.5 Ų46.55%0.04526%0.259CS..G310 helixtrans-62.1-27.9-174.6-22.835.5000113I63 P64 S70 S71 F214I63-P68 HydrophobicContact CG2-CB 3.9Å; P64-P68 WeakPolarHBondContact O-CA 3.23Å; P64-P68 WeakPolarHBondContact O-CD 3.49Å; P64-P68 WeakPolarHBondContact O-CG 3.41Å; P68-S70 PolarHBondContact O-N 2.99Å; P68-S71 WeakPolarHBondContact O-CB 3.31Å; P68-S71 PolarHBondContact O-N 2.97Å; P68-S71 VanDerWaalsContact O-N 3.13Å; P68-F214 HydrophobicContact CB-CD2 4.41Å; P68-F214 HydrophobicContact CB-CE2 4.37Å; P68-F214 HydrophobicContact CB-CZ 4.49Å; P68-F214 HydrophobicContact CG-CD2 4.01Å; P68-F214 HydrophobicContact CG-CE2 3.8Å; P68-F214 HydrophobicContact CG-CZ 4.26Å
69E72.3Confident83.5Confident104 Ų10446.8 Ų46.849%0.48626%0.261SS..G310 helixtrans-66.4-22.5173.774-61144.100113.8T67 S71 R80T67-E69 WeakPolarHBondContact CA-OE1 3.28Å; T67-E69 VanDerWaalsContact CB-OE1 3.24Å; T67-E69 WeakPolarHBondContact CB-OE1 3.31Å; T67-E69 PolarHBondContact O-N 2.75Å; T67-E69 VanDerWaalsContact O-N 3.17Å; E69-S71 VanDerWaalsContact C-N 3.3Å; E69-R80 VanDerWaalsContact O-CZ 3.31Å; E69-R80 PolarHBondContact O-NH1 3.35Å; E69-R80 PolarHBondContact O-NH2 2.96Å
70S75.8Confident83.3Confident68 Ų6851.9 Ų51.948%0.47628%0.281SS..G310 helixtrans-78.1-14.1172.982.70000113.4T67 P68T67-S70 WeakPolarHBondContact CB-OG 3.06Å; T67-S70 WeakPolarHBondContact O-CB 3.08Å; T67-S70 PolarHBondContact O-N 3.36Å; T67-S70 PolarHBondContact O-OG 3.32Å; T67-S70 PolarHBondContact OG1-OG 3.45Å; T67-S70 VanDerWaalsContact OG1-OG 3.11Å; P68-S70 PolarHBondContact O-N 2.99Å
71S84.1Confident83.3Confident4 Ų450.7 Ų50.73%0.02828%0.279CS..  trans-54.4138.8-177.4-175.50000112.9P68 E69 L73 R80P68-S71 WeakPolarHBondContact O-CB 3.31Å; P68-S71 PolarHBondContact O-N 2.97Å; P68-S71 VanDerWaalsContact O-N 3.13Å; E69-S71 VanDerWaalsContact C-N 3.3Å; S71-L73 WeakPolarHBondContact CB-O 3.48Å; S71-L73 PolarHBondContact O-N 3.5Å; S71-L73 PolarHBondContact OG-N 3.11Å; S71-L73 VanDerWaalsContact OG-N 3.07Å; S71-L73 PolarHBondContact OG-O 3.41Å; S71-R80 PolarHBondContact O-NE 2.03Å; S71-R80 PolarHBondContact O-NH2 2.69Å
72F88Confident83.2Confident95 Ų9549.6 Ų49.642%0.41726%0.259SS..SBendtrans-69.2-13170.373.6-82.8000112.3L62 R80 F154L62-F72 HydrophobicContact CB-CE1 4.32Å; L62-F72 HydrophobicContact CB-CZ 4.4Å; L62-F72 HydrophobicContact CD1-CZ 4.4Å; F72-R80 WeakPolarHBondContact O-CB 3.45Å; F72-R80 PolarHBondContact O-N 3.35Å; F72-F154 HydrophobicContact CE2-CE1 4.18Å; F72-F154 HydrophobicContact CE2-CE2 4.31Å; F72-F154 HydrophobicContact CE2-CZ 4.07Å; F72-F154 HydrophobicContact CZ-CE1 4.23Å; F72-F154 HydrophobicContact CZ-CZ 4.45Å
73L91.8Very high82.6Confident4 Ų452.3 Ų52.32%0.02128%0.279CS..EExtended strand (participates in β ladder)trans-98.2140.1171.6-57.8175.8000110.4L62 S71 G76 I78 V79 F154L62-L73 HydrophobicContact CB-CD1 4.16Å; L62-L73 HydrophobicContact CD1-CD1 4.04Å; S71-L73 WeakPolarHBondContact CB-O 3.48Å; S71-L73 PolarHBondContact O-N 3.5Å; S71-L73 PolarHBondContact OG-N 3.11Å; S71-L73 VanDerWaalsContact OG-N 3.07Å; S71-L73 PolarHBondContact OG-O 3.41Å; L73-G76 WeakPolarHBondContact CD1-O 3.45Å; L73-I78 CarbonylContact C-O 3.56Å; L73-I78 VanDerWaalsContact CA-O 3.3Å; L73-I78 WeakPolarHBondContact CA-O 3.27Å; L73-V79 HydrophobicContact CD2-CG2 4.14Å; L73-F154 HydrophobicContact CD1-CB 4.44Å; L73-F154 HydrophobicContact CD1-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CB 3.75Å; L73-F154 HydrophobicContact CD2-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CD2 4.3Å; L73-F154 HydrophobicContact CD2-CG 3.94Å
74I90.9Very high82Confident37 Ų3759.9 Ų59.919%0.1931%0.311CS..EExtended strand (participates in β ladder)trans-116.2150.9165.464.7-178000107.6G76 I78 R80 W191I74-G76 PolarHBondContact O-N 2.77Å; I74-G76 VanDerWaalsContact O-N 3.12Å; I74-I78 HydrophobicContact CD1-CG2 4.12Å; I74-I78 HydrophobicContact CG1-CB 3.81Å; I74-I78 HydrophobicContact CG1-CG2 3.82Å; I74-I78 PolarHBondContact N-O 3.4Å; I74-I78 VanDerWaalsContact O-CB 3.31Å; I74-I78 WeakPolarHBondContact O-CB 3.42Å; I74-I78 PolarHBondContact O-N 3.49Å; I74-R80 HydrophobicContact CG2-CB 4.13Å; I74-R80 HydrophobicContact CG2-CG 4.07Å; I74-W191 HydrophobicContact CD1-CH2 3.87Å; I74-W191 HydrophobicContact CD1-CZ3 3.78Å; I74-W191 HydrophobicContact CG1-CZ3 4.44Å
75E92.7Very high81.5Confident15 Ų1560 Ų607%0.0731%0.305CS..THydrogen-bonded Turntrans48.839.2-173.6-55.9179-161.500111.9D77 I78 H192 N217 Y238E75-D77 PolarHBondContact O-N 3.1Å; E75-I78 HydrophobicContact CB-CD1 4.14Å; E75-H192 WeakPolarHBondContact CB-ND1 3.5Å; E75-H192 PolarHBondContact O-CE1 2.82Å; E75-H192 VanDerWaalsContact O-CE1 3.29Å; E75-H192 WeakPolarHBondContact OE2-CB 3.25Å; E75-H192 IonicContact OE2-CE1 2.94Å; E75-H192 IonicContact OE2-CG 2.92Å; E75-H192 IonicContact OE2-ND1 3.12Å; E75-H192 PolarHBondContact OE2-ND1 3.17Å; E75-N217 VanDerWaalsContact CA-OD1 3.27Å; E75-N217 WeakPolarHBondContact CA-OD1 3.39Å; E75-N217 PolarHBondContact N-OD1 2.69Å; E75-Y238 PolarHBondContact O-OH 3.31Å
76G92.7Very high80.8Confident0 Ų061.3 Ų61.30%032%0.315CS..THydrogen-bonded Turntrans74.6-30.9174.200000118.1N59 L73 I74 N217N59-G76 WeakPolarHBondContact CB-O 3.39Å; N59-G76 PolarHBondContact ND2-O 3.19Å; L73-G76 WeakPolarHBondContact CD1-O 3.45Å; I74-G76 PolarHBondContact O-N 2.77Å; I74-G76 VanDerWaalsContact O-N 3.12Å; G76-N217 PolarHBondContact N-OD1 2.96Å
77D95.6Very high80Confident0 Ų059.8 Ų59.80%031%0.312CS..THydrogen-bonded Turntrans-147.1-0.7-169.948.236.1000114.3I55 N59 E75 C153 F154 S155 H182 H186 H192I55-D77 HydrophobicContact CG2-CB 3.68Å; I55-D77 VanDerWaalsContact CG2-OD2 3.24Å; I55-D77 WeakPolarHBondContact CG2-OD2 3.35Å; N59-D77 WeakPolarHBondContact ND2-CB 3.21Å; E75-D77 PolarHBondContact O-N 3.1Å; D77-C153 WeakPolarHBondContact CB-O 3.5Å; D77-F154 HydrophobicContact CB-CB 4.34Å; D77-F154 WeakPolarHBondContact O-CA 3.34Å; D77-F154 WeakPolarHBondContact O-CB 3.25Å; D77-S155 PolarHBondContact O-N 2.92Å; D77-H182 IonicContact OD2-NE2 3.41Å; D77-H186 IonicContact OD1-NE2 3.99Å; D77-H186 PolarHBondContact OD1-NE2 2.96Å; D77-H192 IonicContact OD1-CE1 3.91Å; D77-H192 PolarHBondContact OD1-CE1 2.94Å; D77-H192 IonicContact OD1-NE2 3.35Å; D77-H192 IonicContact OD2-CE1 2.82Å; D77-H192 IonicContact OD2-NE2 2.68Å
78I94.4Very high79.2Confident0 Ų059.8 Ų59.80%031%0.314CS..EExtended strand (participates in β ladder)trans-91.8120.7175.9-61170.9000109.8L73 I74 E75 R80 S155 V157 W191L73-I78 CarbonylContact C-O 3.56Å; L73-I78 VanDerWaalsContact CA-O 3.3Å; L73-I78 WeakPolarHBondContact CA-O 3.27Å; I74-I78 HydrophobicContact CD1-CG2 4.12Å; I74-I78 HydrophobicContact CG1-CB 3.81Å; I74-I78 HydrophobicContact CG1-CG2 3.82Å; I74-I78 PolarHBondContact N-O 3.4Å; I74-I78 VanDerWaalsContact O-CB 3.31Å; I74-I78 WeakPolarHBondContact O-CB 3.42Å; I74-I78 PolarHBondContact O-N 3.49Å; E75-I78 HydrophobicContact CB-CD1 4.14Å; I78-R80 PolarHBondContact O-N 2.99Å; I78-S155 WeakPolarHBondContact CA-O 3.3Å; I78-V157 HydrophobicContact CB-CG2 4.44Å; I78-V157 HydrophobicContact CD1-CG2 3.86Å; I78-V157 HydrophobicContact CG1-CG2 4.01Å; I78-V157 HydrophobicContact CG2-CB 4.46Å; I78-V157 HydrophobicContact CG2-CG2 3.62Å; I78-W191 HydrophobicContact CD1-CD2 4.3Å; I78-W191 HydrophobicContact CD1-CE3 3.46Å; I78-W191 VanDerWaalsContact CD1-CE3 3.46Å; I78-W191 HydrophobicContact CD1-CZ3 3.71Å; I78-W191 HydrophobicContact CG2-CH2 4.42Å; I78-W191 HydrophobicContact CG2-CZ3 4.24Å
79V93.1Very high78.3Confident35 Ų3564.7 Ų64.721%0.21236%0.355CS..EExtended strand (participates in β ladder)trans-63.4121.5173.9-1800000110.1L73 P81 F154 S155L73-V79 HydrophobicContact CD2-CG2 4.14Å; V79-P81 WeakPolarHBondContact O-CD 3.28Å; V79-F154 HydrophobicContact CG2-CD2 3.59Å; V79-F154 HydrophobicContact CG2-CE2 4.06Å; V79-S155 PolarHBondContact N-O 3.25Å
80R88.1Confident77.8Confident107 Ų10762.7 Ų62.740%0.40435%0.35SS..PPolyproline II helixtrans-57.7121.2-178.8-170.1175.6-65.1-170.11.8110E69 S71 F72 I74 I78 S82E69-R80 VanDerWaalsContact O-CZ 3.31Å; E69-R80 PolarHBondContact O-NH1 3.35Å; E69-R80 PolarHBondContact O-NH2 2.96Å; S71-R80 PolarHBondContact O-NE 2.03Å; S71-R80 PolarHBondContact O-NH2 2.69Å; F72-R80 WeakPolarHBondContact O-CB 3.45Å; F72-R80 PolarHBondContact O-N 3.35Å; I74-R80 HydrophobicContact CG2-CB 4.13Å; I74-R80 HydrophobicContact CG2-CG 4.07Å; I78-R80 PolarHBondContact O-N 2.99Å; R80-S82 PolarHBondContact O-N 3.07Å
81P80.5Confident77.7Confident47 Ų4763 Ų6331%0.30535%0.352SS..PPolyproline II helixtrans-59.9135.2178.4-24.834.4000111.7V79V79-P81 WeakPolarHBondContact O-CD 3.28Å
82S76.9Confident77.8Confident62 Ų6266.3 Ų66.343%0.43438%0.375SS..PPolyproline II helixtrans-54.9135.3170.1172.80000110.3R80 F84 R85R80-S82 PolarHBondContact O-N 3.07Å; S82-F84 PolarHBondContact O-N 2.81Å; S82-F84 VanDerWaalsContact O-N 3.11Å; S82-F84 PolarHBondContact OG-N 2.85Å; S82-R85 VanDerWaalsContact O-CB 3.26Å; S82-R85 WeakPolarHBondContact O-CB 3.45Å; S82-R85 PolarHBondContact O-N 3.32Å
83P70.8Confident78Confident96 Ų9665.9 Ų65.962%0.62337%0.373SS*.G310 helixtrans-53.7-33.4176.7-27.535.3000113R85 L86P83-R85 VanDerWaalsContact C-N 3.27Å; P83-R85 PolarHBondContact O-N 3.45Å; P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 3.16Å
84F68Low78.2Confident165 Ų16565.9 Ų65.972%0.72437%0.373SS*.G310 helixtrans-69.3-20.6177.1-56.8-73.4000113.5S82 L86 L87S82-F84 PolarHBondContact O-N 2.81Å; S82-F84 VanDerWaalsContact O-N 3.11Å; S82-F84 PolarHBondContact OG-N 2.85Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 2.96Å; F84-L87 PolarHBondContact O-N 3.26Å
85R64.8Low78.3Confident56 Ų5668 Ų6821%0.21139%0.39CS..G310 helixtrans-69.5-26.7173.7-171.9178.8171.8-151.1-0.7111.8S82 P83 L87 S88 V157 R159 S160S82-R85 VanDerWaalsContact O-CB 3.26Å; S82-R85 WeakPolarHBondContact O-CB 3.45Å; S82-R85 PolarHBondContact O-N 3.32Å; P83-R85 VanDerWaalsContact C-N 3.27Å; P83-R85 PolarHBondContact O-N 3.45Å; R85-L87 PolarHBondContact O-N 3.24Å; R85-S88 VanDerWaalsContact O-CB 3.32Å; R85-S88 WeakPolarHBondContact O-CB 3.36Å; R85-S88 PolarHBondContact O-N 2.81Å; R85-V157 PolarHBondContact NH1-O 3.03Å; R85-V157 PolarHBondContact NH2-O 3.22Å; R85-R159 PolarHBondContact NH2-O 3.11Å; R85-S160 PolarHBondContact NH1-OG 2.79Å; R85-S160 PolarHBondContact NH2-OG 2.68Å
86L59.1Low78.2Confident149 Ų14970.7 Ų70.778%0.7841%0.407SS*.G310 helixtrans-66.2-20.1175.3-62.8171.8000112.9P83 F84P83-L86 WeakPolarHBondContact O-CB 3.47Å; P83-L86 PolarHBondContact O-N 3.16Å; F84-L86 VanDerWaalsContact C-N 3.29Å; F84-L86 PolarHBondContact O-N 2.96Å
87L55.8Low77.7Confident148 Ų14872.8 Ų72.878%0.77543%0.428SS*.G310 helixtrans-91.2-5174.2-58.9176.1000112.8F84 R85 A89F84-L87 PolarHBondContact O-N 3.26Å; R85-L87 PolarHBondContact O-N 3.24Å; L87-A89 PolarHBondContact O-N 3.49Å
88S56.1Low76.8Confident56 Ų5676.5 Ų76.539%0.39247%0.467SS..  trans-80.4118.6-178.6-168.70000111R85 T90R85-S88 VanDerWaalsContact O-CB 3.32Å; R85-S88 WeakPolarHBondContact O-CB 3.36Å; R85-S88 PolarHBondContact O-N 2.81Å; S88-T90 PolarHBondContact O-N 2.81Å; S88-T90 PolarHBondContact OG-OG1 3.42Å
89A53.8Low76.1Confident111 Ų11180.6 Ų80.692%0.91751%0.509SS*.  trans-67.40.2174.600000114.2L87L87-A89 PolarHBondContact O-N 3.49Å
90T61.5Low75.8Confident62 Ų6279.9 Ų79.938%0.3851%0.509SS..SBendtrans-75123.4178.456.60000111.8S88 S92S88-T90 PolarHBondContact O-N 2.81Å; S88-T90 PolarHBondContact OG-OG1 3.42Å; T90-S92 PolarHBondContact O-N 3.21Å
91S73.8Confident76Confident73 Ų7377.2 Ų77.251%0.5150%0.504SS..  trans-48.9131.4170.5175.40000112.1K93 R159S91-K93 PolarHBondContact O-N 2.8Å; S91-K93 PolarHBondContact OG-N 3.28Å; S91-R159 PolarHBondContact O-NH2 3.23Å
92S85.9Confident76.7Confident74 Ų7475 Ų7552%0.51749%0.49SS..SBendtrans-72.1-4.4175.555.30000113.9T90 G158 R159T90-S92 PolarHBondContact O-N 3.21Å; S92-G158 CarbonylContact O-C 3.51Å; S92-G158 VanDerWaalsContact O-CA 3.31Å; S92-G158 WeakPolarHBondContact O-CA 3.42Å; S92-R159 PolarHBondContact O-N 3.37Å
93K92.1Very high77.7Confident86 Ų8677 Ų7737%0.37449%0.492SS..SBendtrans-81.1152.5170.8-61.3-173.1-176.9-175.60111.1S91 R159 L278 Y279S91-K93 PolarHBondContact O-N 2.8Å; S91-K93 PolarHBondContact OG-N 3.28Å; K93-R159 PolarHBondContact O-NE 3.43Å; K93-L278 HydrophobicContact CD-CG 4.44Å; K93-L278 PolarHBondContact NZ-O 3.28Å; K93-Y279 HydrophobicContact CB-CE1 4.13Å
94W95.3Very high78.9Confident5 Ų572.4 Ų72.42%0.01946%0.463CS..PPolyproline II helixtrans-66144.8161.4-67.192.1000110.1T96 V102 V104 D143 I145 R159 V187 Y279W94-T96 PolarHBondContact O-N 3.27Å; W94-V102 HydrophobicContact CB-CG1 3.69Å; W94-V104 HydrophobicContact CB-CG2 4.3Å; W94-V104 HydrophobicContact CD2-CB 4.47Å; W94-V104 HydrophobicContact CD2-CG1 4.19Å; W94-V104 HydrophobicContact CD2-CG2 3.93Å; W94-V104 HydrophobicContact CE3-CG1 4.39Å; W94-V104 HydrophobicContact CE3-CG2 4.41Å; W94-V104 HydrophobicContact CG-CG2 3.83Å; W94-V104 HydrophobicContact CH2-CG1 4.26Å; W94-V104 HydrophobicContact CZ2-CG1 4.02Å; W94-V104 HydrophobicContact CZ3-CG1 4.43Å; W94-D143 HydrophobicContact CH2-CB 4.48Å; W94-D143 HydrophobicContact CZ3-CB 4.08Å; W94-I145 HydrophobicContact CH2-CG2 4.12Å; W94-I145 HydrophobicContact CZ2-CG2 3.81Å; W94-R159 HydrophobicContact CD2-CB 3.84Å; W94-R159 HydrophobicContact CD2-CG 3.98Å; W94-R159 HydrophobicContact CE3-CB 4.31Å; W94-R159 HydrophobicContact CE3-CG 3.93Å; W94-R159 HydrophobicContact CG-CB 4.11Å; W94-R159 HydrophobicContact CH2-CG 4.04Å; W94-R159 HydrophobicContact CZ2-CB 4.14Å; W94-R159 HydrophobicContact CZ2-CG 4.11Å; W94-R159 HydrophobicContact CZ3-CG 3.96Å; W94-V187 HydrophobicContact CZ2-CG1 4.13Å; W94-V187 PolarHBondContact NE1-O 3.49Å; W94-Y279 HydrophobicContact CB-CE1 4.14Å
95P93.2Very high80.4Confident82 Ų8265 Ų6553%0.53243%0.431SS..PPolyproline II helixtrans-69.1132.3-178.728.4-33.8000111
96T90.1Very high82Confident70 Ų7062.8 Ų62.843%0.42942%0.423SS..BIsolated β-bridgetrans-80.5117.7167-49.70000108.7W94 V101 V102W94-T96 PolarHBondContact O-N 3.27Å; T96-V101 CarbonylContact C-O 3.58Å; T96-V101 WeakPolarHBondContact CA-O 3.39Å; T96-V102 HydrophobicContact CG2-CG2 4.15Å
97G83.1Confident83.8Confident44 Ų4459.4 Ų59.445%0.45441%0.405SS..  trans-81.1-173.7177.200000113.6G100 V101G97-G100 PolarHBondContact O-N 2.9Å; G97-V101 PolarHBondContact N-O 2.98Å
98G76.2Confident85.8Confident78 Ų7853.6 Ų53.680%0.80438%0.375SS*.G310 helixtrans-55.8139.4175.500000112.1G100G98-G100 VanDerWaalsContact C-N 3.28Å; G98-G100 PolarHBondContact O-N 3.36Å
99G79.3Confident87.8Confident87 Ų8751.9 Ų51.990%0.89736%0.363SS*.G310 helixtrans77.33.6-178.500000115.6
100G86.9Confident89.9Confident20 Ų2051.7 Ų51.721%0.20636%0.355CS..G310 helixtrans83.516.9176.600000114.6G97 G98 C132G97-G100 PolarHBondContact O-N 2.9Å; G98-G100 VanDerWaalsContact C-N 3.28Å; G98-G100 PolarHBondContact O-N 3.36Å; G100-C132 WeakPolarHBondContact O-CB 3.31Å; G100-C132 PolarHBondContact O-SG 3.19Å
101V92.6Very high91.6Very high51 Ų5156.9 Ų56.931%0.30937%0.372SS..  trans-84.6143.7174.6178.70000109.8T96 G97 E103 R134T96-V101 CarbonylContact C-O 3.58Å; T96-V101 WeakPolarHBondContact CA-O 3.39Å; G97-V101 PolarHBondContact N-O 2.98Å; V101-E103 HydrophobicContact CG1-CG 4.18Å; V101-R134 HydrophobicContact CG1-CB 4.1Å; V101-R134 HydrophobicContact CG1-CG 3.64Å
102V96.3Very high92.7Very high0 Ų053.9 Ų53.90%035%0.35CS..EExtended strand (participates in β ladder)trans-114.1107.5175.6179.30000108.5W94 T96 C132 V133 R134 Y279W94-V102 HydrophobicContact CB-CG1 3.69Å; T96-V102 HydrophobicContact CG2-CG2 4.15Å; V102-C132 PolarHBondContact N-O 2.98Å; V102-V133 HydrophobicContact CB-CG2 4.34Å; V102-V133 CarbonylContact O-C 3.54Å; V102-V133 WeakPolarHBondContact O-CA 3.42Å; V102-R134 PolarHBondContact O-N 3.16Å; V102-Y279 HydrophobicContact CB-CD1 4.22Å; V102-Y279 HydrophobicContact CG1-CD1 3.8Å; V102-Y279 HydrophobicContact CG1-CE1 3.68Å; V102-Y279 HydrophobicContact CG1-CG 4.48Å; V102-Y279 HydrophobicContact CG2-CD1 3.42Å; V102-Y279 VanDerWaalsContact CG2-CD1 3.42Å; V102-Y279 HydrophobicContact CG2-CE1 4.19Å; V102-Y279 HydrophobicContact CG2-CG 3.77Å
103E96.3Very high93.2Very high104 Ų10454.4 Ų54.449%0.48635%0.347SS..EExtended strand (participates in β ladder)trans-88.6129.1179-64.7-173.7162.100110.8V101 R134 V136V101-E103 HydrophobicContact CG1-CG 4.18Å; E103-R134 WeakPolarHBondContact CA-O 3.37Å; E103-V136 HydrophobicContact CB-CG1 4.48Å; E103-V136 HydrophobicContact CB-CG2 4.24Å; E103-V136 HydrophobicContact CG-CG1 4.2Å
104V97.9Very high93.3Very high0 Ų053.2 Ų53.20%034%0.343CS..EExtended strand (participates in β ladder)trans-117.597.4172.4-176.90000107.5W94 V133 R134 F135 V136 I145 V187 L188W94-V104 HydrophobicContact CB-CG2 4.3Å; W94-V104 HydrophobicContact CD2-CB 4.47Å; W94-V104 HydrophobicContact CD2-CG1 4.19Å; W94-V104 HydrophobicContact CD2-CG2 3.93Å; W94-V104 HydrophobicContact CE3-CG1 4.39Å; W94-V104 HydrophobicContact CE3-CG2 4.41Å; W94-V104 HydrophobicContact CG-CG2 3.83Å; W94-V104 HydrophobicContact CH2-CG1 4.26Å; W94-V104 HydrophobicContact CZ2-CG1 4.02Å; W94-V104 HydrophobicContact CZ3-CG1 4.43Å; V104-V133 HydrophobicContact CG2-CG1 4.05Å; V104-R134 PolarHBondContact N-O 2.99Å; V104-F135 HydrophobicContact CB-CD1 3.76Å; V104-F135 HydrophobicContact CB-CE1 3.74Å; V104-F135 HydrophobicContact CG1-CD1 3.94Å; V104-F135 HydrophobicContact CG1-CE1 3.68Å; V104-F135 HydrophobicContact CG2-CE1 4.33Å; V104-F135 WeakPolarHBondContact O-CA 3.5Å; V104-V136 PolarHBondContact O-N 2.75Å; V104-I145 HydrophobicContact CG1-CD1 4.21Å; V104-I145 HydrophobicContact CG1-CG1 4.44Å; V104-I145 HydrophobicContact CG1-CG2 4.17Å; V104-V187 HydrophobicContact CG1-CG1 4.05Å; V104-L188 HydrophobicContact CG2-CD2 4.1Å
105P98Very high93.3Very high8 Ų859.6 Ų59.65%0.05238%0.376CS..EExtended strand (participates in β ladder)trans-66.2135178.9-20.333.2000110.9V136 Q141 F144 I145P105-V136 CarbonylContact C-O 3.46Å; P105-V136 VanDerWaalsContact CA-O 3.27Å; P105-V136 WeakPolarHBondContact CA-O 3.15Å; P105-V136 HydrophobicContact CB-CG2 4.05Å; P105-V136 HydrophobicContact CG-CG2 3.98Å; P105-Q141 HydrophobicContact CB-CB 4.19Å; P105-Q141 HydrophobicContact CB-CG 4.15Å; P105-Q141 HydrophobicContact CG-CB 3.79Å; P105-Q141 HydrophobicContact CG-CG 3.68Å; P105-F144 HydrophobicContact CB-CB 3.87Å; P105-F144 CarbonylContact O-C 3.58Å; P105-F144 VanDerWaalsContact O-CA 3.32Å; P105-F144 WeakPolarHBondContact O-CA 3.22Å; P105-F144 WeakPolarHBondContact O-CB 3.37Å; P105-I145 PolarHBondContact O-N 3.38Å
106F98.4Very high93.4Very high10 Ų1056.1 Ų56.14%0.04435%0.354CS..EExtended strand (participates in β ladder)trans-128.9144.7179.778.7-84.8000113.1L108 L121 L124 F135 V136 T137 Y138 I145 I147F106-L108 HydrophobicContact CD2-CB 4.16Å; F106-L108 HydrophobicContact CE2-CB 4.04Å; F106-L121 HydrophobicContact CE2-CD2 4.38Å; F106-L121 HydrophobicContact CZ-CD2 4.28Å; F106-L124 HydrophobicContact CD1-CD1 4.14Å; F106-L124 HydrophobicContact CD2-CD1 4.29Å; F106-L124 HydrophobicContact CE1-CD1 3.8Å; F106-L124 HydrophobicContact CE2-CD1 3.96Å; F106-L124 HydrophobicContact CG-CD1 4.38Å; F106-L124 HydrophobicContact CZ-CD1 3.7Å; F106-F135 HydrophobicContact CD1-CB 3.91Å; F106-F135 HydrophobicContact CE1-CB 4.09Å; F106-F135 WeakPolarHBondContact CE1-O 3.37Å; F106-V136 WeakPolarHBondContact CD1-O 3.25Å; F106-V136 PolarHBondContact N-O 2.78Å; F106-T137 HydrophobicContact CE1-CG2 4.4Å; F106-T137 HydrophobicContact CZ-CG2 4.23Å; F106-Y138 WeakPolarHBondContact O-CB 3.36Å; F106-Y138 PolarHBondContact O-N 3.13Å; F106-I145 CarbonylContact C-O 3.57Å; F106-I145 WeakPolarHBondContact CA-O 3.48Å; F106-I145 HydrophobicContact CB-CD1 3.98Å; F106-I145 HydrophobicContact CB-CG1 3.51Å; F106-I147 HydrophobicContact CB-CD1 4.29Å; F106-I147 HydrophobicContact CD2-CD1 4.2Å
107L98Very high93.8Very high79 Ų7955.8 Ų55.841%0.41435%0.345SS..EExtended strand (participates in β ladder)trans-112.8124.8165.7-176.667.4000108.3F144 I145 I147L107-F144 HydrophobicContact CB-CD2 4.34Å; L107-F144 HydrophobicContact CB-CE2 4.3Å; L107-F144 HydrophobicContact CD2-CE2 4.48Å; L107-I145 PolarHBondContact N-O 3Å; L107-I147 PolarHBondContact O-N 2.96Å
108L98Very high94.4Very high25 Ų2555.7 Ų55.713%0.13133%0.333CS..EExtended strand (participates in β ladder)trans-103.9125.5179.1-177.260.1000110.3F106 Y112 R117 I120 L121 I147F106-L108 HydrophobicContact CD2-CB 4.16Å; F106-L108 HydrophobicContact CE2-CB 4.04Å; L108-Y112 HydrophobicContact CD1-CD2 3.56Å; L108-Y112 HydrophobicContact CD1-CE2 3.67Å; L108-Y112 HydrophobicContact CG-CD2 4.26Å; L108-R117 HydrophobicContact CD2-CG 4.19Å; L108-I120 HydrophobicContact CD1-CD1 3.87Å; L108-I120 HydrophobicContact CD1-CG2 4.1Å; L108-L121 HydrophobicContact CD2-CD2 4.22Å; L108-I147 HydrophobicContact CD1-CB 4.01Å; L108-I147 HydrophobicContact CD1-CG2 3.96Å
109S97.9Very high95.4Very high20 Ų2053.3 Ų53.314%0.1430%0.302CS..  trans-56.1140.5-177-160.40000113.2K111 R117 I147S109-K111 PolarHBondContact O-N 3.4Å; S109-K111 PolarHBondContact OG-N 3.31Å; S109-R117 PolarHBondContact O-NH2 3.23Å; S109-I147 WeakPolarHBondContact CB-O 3.22Å; S109-I147 PolarHBondContact N-O 2.88Å
110S96.8Very high96.3Very high108 Ų10849.1 Ų49.176%0.75526%0.26SS*.THydrogen-bonded Turntrans-60.5-2416852.30000112.9Y112 R117S110-Y112 VanDerWaalsContact C-N 3.31Å; S110-Y112 PolarHBondContact O-N 3Å; S110-R117 VanDerWaalsContact CA-NH2 3.33Å; S110-R117 PolarHBondContact O-NH2 3.16Å
111K97.6Very high96.8Very high170 Ų17048.2 Ų48.274%0.73925%0.25SS*.THydrogen-bonded Turntrans-72.2-11.6-174.8-64.2-175.9176.6-175.80115.9S109 P149S109-K111 PolarHBondContact O-N 3.4Å; S109-K111 PolarHBondContact OG-N 3.31Å; K111-P149 HydrophobicContact CB-CG 3.77Å; K111-P149 HydrophobicContact CD-CG 4.39Å
112Y97.4Very high97Very high10 Ų1049.1 Ų49.14%0.03925%0.251CS..SBendtrans-78.6132.7174.8-69.3-68.2000111.1L108 S110 R117 I120 I147 I148 P149 L168 L173L108-Y112 HydrophobicContact CD1-CD2 3.56Å; L108-Y112 HydrophobicContact CD1-CE2 3.67Å; L108-Y112 HydrophobicContact CG-CD2 4.26Å; S110-Y112 VanDerWaalsContact C-N 3.31Å; S110-Y112 PolarHBondContact O-N 3Å; Y112-R117 PolarHBondContact O-NE 2.84Å; Y112-I120 HydrophobicContact CD1-CD1 4.13Å; Y112-I120 HydrophobicContact CD2-CD1 4.06Å; Y112-I120 HydrophobicContact CE1-CD1 3.89Å; Y112-I120 HydrophobicContact CE2-CD1 3.81Å; Y112-I120 HydrophobicContact CG-CD1 4.2Å; Y112-I147 HydrophobicContact CE2-CG2 4.1Å; Y112-I147 WeakPolarHBondContact CE2-O 3.32Å; Y112-I148 PolarHBondContact OH-N 3.08Å; Y112-I148 PolarHBondContact OH-O 3.03Å; Y112-P149 HydrophobicContact CD1-CB 4.32Å; Y112-P149 HydrophobicContact CD1-CG 4.42Å; Y112-P149 HydrophobicContact CE1-CB 3.69Å; Y112-P149 HydrophobicContact CE1-CG 4.09Å; Y112-L168 WeakPolarHBondContact CE1-O 3.49Å; Y112-L168 WeakPolarHBondContact OH-CB 3.29Å; Y112-L168 PolarHBondContact OH-O 3.32Å; Y112-L168 VanDerWaalsContact OH-O 3.05Å; Y112-L173 HydrophobicContact CD1-CD1 4.05Å; Y112-L173 HydrophobicContact CE1-CD1 3.85Å
113D95.6Very high97.1Very high86 Ų8649.1 Ų49.146%0.4625%0.251SS..  trans-63.7169.2163.563.776.8000111.8L115 S116 R117D113-L115 PolarHBondContact O-N 3.32Å; D113-L115 PolarHBondContact OD1-N 3.32Å; D113-L115 VanDerWaalsContact OD1-N 3.09Å; D113-S116 VanDerWaalsContact CG-OG 3.27Å; D113-S116 PolarHBondContact O-N 3.39Å; D113-S116 WeakPolarHBondContact OD1-CB 3.28Å; D113-S116 PolarHBondContact OD1-N 3.15Å; D113-S116 PolarHBondContact OD1-OG 3.49Å; D113-S116 WeakPolarHBondContact OD2-CB 3.2Å; D113-S116 PolarHBondContact OD2-OG 2.75Å; D113-R117 VanDerWaalsContact O-CG 3.23Å; D113-R117 WeakPolarHBondContact O-CG 3.28Å; D113-R117 PolarHBondContact O-N 3.35Å
114E94.6Very high97.2Very high61 Ų6144.1 Ų44.129%0.28523%0.228SC..Hα-helixtrans-62.1-41.5-176.1177.6147-120.100113.9R117 Q118 L316 E319E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 2.78Å; E114-Q118 WeakPolarHBondContact O-CB 3.01Å; E114-Q118 PolarHBondContact O-N 3.5Å; E114-L316 HydrophobicContact CG-CB 4.45Å; E114-L316 HydrophobicContact CG-CD2 4.19Å; E114-L316 VanDerWaalsContact OE1-CA 3.27Å; E114-L316 WeakPolarHBondContact OE1-CA 3.5Å; E114-L316 WeakPolarHBondContact OE1-CB 3.16Å; E114-L316 VanDerWaalsContact OE1-CD2 3.3Å; E114-L316 WeakPolarHBondContact OE1-CD2 3.5Å; E114-E319 WeakPolarHBondContact OE1-CB 3.08Å
115L94.8Very high97.1Very high138 Ų13845 Ų4572%0.72324%0.235SC*.Hα-helixtrans-66.6-43.7179.1-62.2177000110.8D113 R117 Q118 V119D113-L115 PolarHBondContact O-N 3.32Å; D113-L115 PolarHBondContact OD1-N 3.32Å; D113-L115 VanDerWaalsContact OD1-N 3.09Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.73Å; L115-Q118 PolarHBondContact O-N 3.46Å; L115-V119 WeakPolarHBondContact O-CG2 3.48Å; L115-V119 PolarHBondContact O-N 3.07Å
116S96.6Very high97Very high10 Ų1045 Ų457%0.0723%0.234CC..Hα-helixtrans-58.7-43.6173.7-69.90000111.9D113 I120 L173D113-S116 VanDerWaalsContact CG-OG 3.27Å; D113-S116 PolarHBondContact O-N 3.39Å; D113-S116 WeakPolarHBondContact OD1-CB 3.28Å; D113-S116 PolarHBondContact OD1-N 3.15Å; D113-S116 PolarHBondContact OD1-OG 3.49Å; D113-S116 WeakPolarHBondContact OD2-CB 3.2Å; D113-S116 PolarHBondContact OD2-OG 2.75Å; S116-I120 WeakPolarHBondContact O-CD1 3.41Å; S116-I120 VanDerWaalsContact O-CG1 3.3Å; S116-I120 WeakPolarHBondContact O-CG1 3.49Å; S116-I120 PolarHBondContact O-N 3.04Å; S116-I120 VanDerWaalsContact O-N 3.15Å; S116-L173 VanDerWaalsContact CB-CD1 3.49Å
117R97.2Very high97Very high62 Ų6244.5 Ų44.523%0.23423%0.232CC..Hα-helixtrans-61.2-49.7174.1-71.6164.2174.5-78.2-9.5111.4L108 S109 S110 Y112 D113 E114 L115 V119 I120 L121 L316L108-R117 HydrophobicContact CD2-CG 4.19Å; S109-R117 PolarHBondContact O-NH2 3.23Å; S110-R117 VanDerWaalsContact CA-NH2 3.33Å; S110-R117 PolarHBondContact O-NH2 3.16Å; Y112-R117 PolarHBondContact O-NE 2.84Å; D113-R117 VanDerWaalsContact O-CG 3.23Å; D113-R117 WeakPolarHBondContact O-CG 3.28Å; D113-R117 PolarHBondContact O-N 3.35Å; E114-R117 WeakPolarHBondContact O-CB 3.48Å; E114-R117 PolarHBondContact O-N 2.78Å; L115-R117 VanDerWaalsContact C-N 3.34Å; L115-R117 PolarHBondContact O-N 2.73Å; R117-V119 VanDerWaalsContact C-N 3.35Å; R117-V119 PolarHBondContact O-N 3.15Å; R117-I120 PolarHBondContact O-N 3.17Å; R117-I120 VanDerWaalsContact O-N 3.14Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.21Å; R117-L121 PolarHBondContact O-N 2.99Å; R117-L316 HydrophobicContact CB-CD1 3.74Å
118Q96.3Very high96.8Very high42 Ų4240.8 Ų40.820%0.19621%0.212CC..Hα-helixtrans-56-48.4-180179.761.520.800111.2E114 L115 I120 L121 E122 L316E114-Q118 WeakPolarHBondContact O-CB 3.01Å; E114-Q118 PolarHBondContact O-N 3.5Å; L115-Q118 PolarHBondContact O-N 3.46Å; Q118-I120 VanDerWaalsContact C-N 3.32Å; Q118-I120 PolarHBondContact O-N 2.82Å; Q118-L121 PolarHBondContact O-N 3.29Å; Q118-E122 PolarHBondContact NE2-OE1 3.08Å; Q118-E122 WeakPolarHBondContact O-CB 3.4Å; Q118-E122 WeakPolarHBondContact O-CG 3.27Å; Q118-E122 PolarHBondContact O-N 3.37Å; Q118-L316 HydrophobicContact CB-CD1 4.49Å
119V97.6Very high96.6Very high28 Ų2845.1 Ų45.117%0.1723%0.227CC..Hα-helixtrans-58.7-41.2177.1171.80000112.2L115 R117 A123 L173 R177 V180L115-V119 WeakPolarHBondContact O-CG2 3.48Å; L115-V119 PolarHBondContact O-N 3.07Å; R117-V119 VanDerWaalsContact C-N 3.35Å; R117-V119 PolarHBondContact O-N 3.15Å; V119-A123 PolarHBondContact O-N 2.96Å; V119-L173 HydrophobicContact CG1-CB 4.37Å; V119-L173 HydrophobicContact CG1-CD2 4.09Å; V119-R177 HydrophobicContact CG1-CB 4.23Å; V119-V180 HydrophobicContact CG1-CG2 4.22Å
120I98.5Very high96.4Very high0 Ų045.7 Ų45.70%023%0.231CC..Hα-helixtrans-66.4-48177.7-68.2165.7000110.8L108 Y112 S116 R117 Q118 E122 A123 L124 I147 L168 L173 V180L108-I120 HydrophobicContact CD1-CD1 3.87Å; L108-I120 HydrophobicContact CD1-CG2 4.1Å; Y112-I120 HydrophobicContact CD1-CD1 4.13Å; Y112-I120 HydrophobicContact CD2-CD1 4.06Å; Y112-I120 HydrophobicContact CE1-CD1 3.89Å; Y112-I120 HydrophobicContact CE2-CD1 3.81Å; Y112-I120 HydrophobicContact CG-CD1 4.2Å; S116-I120 WeakPolarHBondContact O-CD1 3.41Å; S116-I120 VanDerWaalsContact O-CG1 3.3Å; S116-I120 WeakPolarHBondContact O-CG1 3.49Å; S116-I120 PolarHBondContact O-N 3.04Å; S116-I120 VanDerWaalsContact O-N 3.15Å; R117-I120 PolarHBondContact O-N 3.17Å; R117-I120 VanDerWaalsContact O-N 3.14Å; Q118-I120 VanDerWaalsContact C-N 3.32Å; Q118-I120 PolarHBondContact O-N 2.82Å; I120-E122 PolarHBondContact O-N 2.53Å; I120-A123 WeakPolarHBondContact O-CA 3.45Å; I120-A123 VanDerWaalsContact O-CB 3.24Å; I120-A123 WeakPolarHBondContact O-CB 3.22Å; I120-A123 PolarHBondContact O-N 2.86Å; I120-A123 VanDerWaalsContact O-N 3.08Å; I120-L124 WeakPolarHBondContact O-CG 3.36Å; I120-L124 PolarHBondContact O-N 3.34Å; I120-L124 VanDerWaalsContact O-N 3.11Å; I120-I147 HydrophobicContact CD1-CG2 4.13Å; I120-I147 HydrophobicContact CG2-CD1 4.1Å; I120-I147 HydrophobicContact CG2-CG2 4.41Å; I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CG1-CD1 4Å; I120-L173 HydrophobicContact CD1-CD1 4.01Å; I120-L173 HydrophobicContact CD1-CD2 4.38Å; I120-L173 HydrophobicContact CG1-CD1 4.28Å; I120-L173 HydrophobicContact CG1-CD2 3.89Å; I120-V180 HydrophobicContact CG1-CG1 4.49Å; I120-V180 HydrophobicContact CG1-CG2 4.37Å
121L97.4Very high96.4Very high1 Ų141.1 Ų41.11%0.00520%0.198CC..Hα-helixtrans-68.6-34.2-176.1-62169.8000112.4F106 L108 R117 Q118 A123 L124 A125 L309 L312 L313 L316F106-L121 HydrophobicContact CE2-CD2 4.38Å; F106-L121 HydrophobicContact CZ-CD2 4.28Å; L108-L121 HydrophobicContact CD2-CD2 4.22Å; R117-L121 VanDerWaalsContact O-CG 3.24Å; R117-L121 WeakPolarHBondContact O-CG 3.21Å; R117-L121 PolarHBondContact O-N 2.99Å; Q118-L121 PolarHBondContact O-N 3.29Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.28Å; L121-L124 HydrophobicContact CD2-CD1 3.93Å; L121-L124 PolarHBondContact O-N 3.42Å; L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 2.85Å; L121-L309 HydrophobicContact CB-CD1 4.07Å; L121-L309 HydrophobicContact CD2-CD1 3.67Å; L121-L309 HydrophobicContact CG-CD1 4.41Å; L121-L312 HydrophobicContact CD1-CB 4.25Å; L121-L312 HydrophobicContact CD1-CD2 3.82Å; L121-L312 HydrophobicContact CD1-CG 4.28Å; L121-L312 HydrophobicContact CD2-CD2 3.62Å; L121-L312 HydrophobicContact CG-CD2 4.38Å; L121-L313 HydrophobicContact CB-CD2 3.58Å; L121-L313 HydrophobicContact CB-CG 4.14Å; L121-L316 HydrophobicContact CD1-CD1 3.48Å; L121-L316 VanDerWaalsContact CD1-CD1 3.48Å
122E96.4Very high96.3Very high69 Ų6933.9 Ų33.932%0.32217%0.169SC..Hα-helixtrans-62-35.3169.5-76.5-175.3-157.700112.8Q118 I120 A125 E126 R177 L313Q118-E122 PolarHBondContact NE2-OE1 3.08Å; Q118-E122 WeakPolarHBondContact O-CB 3.4Å; Q118-E122 WeakPolarHBondContact O-CG 3.27Å; Q118-E122 PolarHBondContact O-N 3.37Å; I120-E122 PolarHBondContact O-N 2.53Å; E122-A125 PolarHBondContact O-N 3.49Å; E122-E126 PolarHBondContact O-N 3.37Å; E122-E126 VanDerWaalsContact O-N 3.1Å; E122-R177 IonicContact OE2-NH1 3.59Å; E122-R177 PolarHBondContact OE2-NH1 3.14Å; E122-R177 VanDerWaalsContact OE2-NH1 3.12Å; E122-L313 HydrophobicContact CG-CD2 4.37Å
123A98Very high96.2Very high0 Ų033.4 Ų33.40%017%0.167CC..Hα-helixtrans-66-43.7174.400000111.5V119 I120 L121 A125 E126 F127 R177 V180 L181 L184V119-A123 PolarHBondContact O-N 2.96Å; I120-A123 WeakPolarHBondContact O-CA 3.45Å; I120-A123 VanDerWaalsContact O-CB 3.24Å; I120-A123 WeakPolarHBondContact O-CB 3.22Å; I120-A123 PolarHBondContact O-N 2.86Å; I120-A123 VanDerWaalsContact O-N 3.08Å; L121-A123 VanDerWaalsContact C-N 3.28Å; L121-A123 PolarHBondContact O-N 3.28Å; A123-A125 VanDerWaalsContact C-N 3.33Å; A123-A125 PolarHBondContact O-N 3.27Å; A123-E126 PolarHBondContact O-N 3.18Å; A123-F127 WeakPolarHBondContact O-CD2 3.13Å; A123-R177 HydrophobicContact CB-CB 3.99Å; A123-V180 HydrophobicContact CB-CB 3.57Å; A123-V180 HydrophobicContact CB-CG1 3.38Å; A123-L181 HydrophobicContact CB-CD2 3.95Å; A123-L181 HydrophobicContact CB-CG 4.18Å; A123-L181 WeakPolarHBondContact O-CD2 3.39Å; A123-L184 HydrophobicContact CB-CD1 4.06Å
124L98.3Very high96.3Very high0 Ų032.1 Ų32.10%016%0.156CC..Hα-helixtrans-58.7-46.9173.9-54.5-179.7000110.4F106 I120 L121 E126 F127 E128 F135 L184 L309F106-L124 HydrophobicContact CD1-CD1 4.14Å; F106-L124 HydrophobicContact CD2-CD1 4.29Å; F106-L124 HydrophobicContact CE1-CD1 3.8Å; F106-L124 HydrophobicContact CE2-CD1 3.96Å; F106-L124 HydrophobicContact CG-CD1 4.38Å; F106-L124 HydrophobicContact CZ-CD1 3.7Å; I120-L124 WeakPolarHBondContact O-CG 3.36Å; I120-L124 PolarHBondContact O-N 3.34Å; I120-L124 VanDerWaalsContact O-N 3.11Å; L121-L124 HydrophobicContact CD2-CD1 3.93Å; L121-L124 PolarHBondContact O-N 3.42Å; L124-E126 VanDerWaalsContact C-N 3.32Å; L124-E126 PolarHBondContact O-N 3.47Å; L124-F127 PolarHBondContact O-N 2.75Å; L124-E128 WeakPolarHBondContact O-CG 3.46Å; L124-E128 PolarHBondContact O-N 2.96Å; L124-F135 HydrophobicContact CB-CB 4.02Å; L124-F135 HydrophobicContact CB-CD2 3.78Å; L124-F135 HydrophobicContact CB-CG 4.04Å; L124-F135 HydrophobicContact CD1-CB 4.04Å; L124-F135 HydrophobicContact CD1-CG 4.45Å; L124-F135 HydrophobicContact CD2-CB 4.04Å; L124-F135 HydrophobicContact CD2-CD1 3.68Å; L124-F135 HydrophobicContact CD2-CD2 3.73Å; L124-F135 HydrophobicContact CD2-CE1 3.99Å; L124-F135 HydrophobicContact CD2-CE2 4.03Å; L124-F135 HydrophobicContact CD2-CG 3.54Å; L124-F135 HydrophobicContact CD2-CZ 4.16Å; L124-F135 HydrophobicContact CG-CB 4.24Å; L124-F135 HydrophobicContact CG-CD2 4.29Å; L124-F135 HydrophobicContact CG-CG 4.19Å; L124-L184 HydrophobicContact CD2-CD1 3.66Å; L124-L184 HydrophobicContact CD2-CD2 4.05Å; L124-L309 HydrophobicContact CB-CD1 4.29Å; L124-L309 HydrophobicContact CB-CD2 3.73Å; L124-L309 HydrophobicContact CD1-CD1 4.13Å
125A96.3Very high96.4Very high19 Ų1929.3 Ų29.316%0.15714%0.143CC..Hα-helixtrans-64.9-30.9-176.600000113.5L121 E122 A123 F127 E128 R129 A305 L309 L313L121-A125 WeakPolarHBondContact O-CB 3.34Å; L121-A125 PolarHBondContact O-N 2.85Å; E122-A125 PolarHBondContact O-N 3.49Å; A123-A125 VanDerWaalsContact C-N 3.33Å; A123-A125 PolarHBondContact O-N 3.27Å; A125-F127 VanDerWaalsContact C-N 3.35Å; A125-F127 PolarHBondContact O-N 2.87Å; A125-E128 PolarHBondContact O-N 3.11Å; A125-R129 WeakPolarHBondContact O-CB 3.39Å; A125-R129 PolarHBondContact O-N 3.45Å; A125-A305 HydrophobicContact CB-CB 4.35Å; A125-L309 HydrophobicContact CB-CD2 3.83Å; A125-L313 HydrophobicContact CB-CD1 4.17Å
126E96.1Very high96.4Very high6 Ų623.7 Ų23.73%0.02811%0.114CC..Hα-helixtrans-59.6-43.2173.7-176.865.2-99.600111.8E122 A123 L124 R129 S130 R177 L181 N266 L267E122-E126 PolarHBondContact O-N 3.37Å; E122-E126 VanDerWaalsContact O-N 3.1Å; A123-E126 PolarHBondContact O-N 3.18Å; L124-E126 VanDerWaalsContact C-N 3.32Å; L124-E126 PolarHBondContact O-N 3.47Å; E126-R129 IonicContact OE1-CZ 3.94Å; E126-R129 IonicContact OE1-NE 3.65Å; E126-R129 IonicContact OE1-NH2 3.6Å; E126-R129 PolarHBondContact OE1-NH2 3.11Å; E126-R129 IonicContact OE2-CZ 3.5Å; E126-R129 IonicContact OE2-NH2 2.68Å; E126-R129 PolarHBondContact OE2-NH2 2.92Å; E126-S130 VanDerWaalsContact O-CB 3.25Å; E126-S130 WeakPolarHBondContact O-CB 3.48Å; E126-S130 PolarHBondContact O-N 3.47Å; E126-S130 VanDerWaalsContact O-N 3.16Å; E126-S130 PolarHBondContact O-OG 3.12Å; E126-S130 VanDerWaalsContact O-OG 3.11Å; E126-S130 PolarHBondContact OE1-OG 2.86Å; E126-R177 IonicContact OE2-CZ 3.61Å; E126-R177 IonicContact OE2-NE 2.8Å; E126-R177 IonicContact OE2-NH2 3.87Å; E126-R177 PolarHBondContact OE2-NH2 3.37Å; E126-L181 HydrophobicContact CB-CD2 3.87Å; E126-L181 HydrophobicContact CG-CD1 4.4Å; E126-L181 HydrophobicContact CG-CD2 3.98Å; E126-N266 PolarHBondContact OE2-ND2 3.36Å; E126-N266 VanDerWaalsContact OE2-ND2 3.11Å; E126-N266 PolarHBondContact OE2-OD1 2.86Å; E126-L267 HydrophobicContact CG-CD1 4.18Å
127F97.1Very high96.4Very high0 Ų025.6 Ų25.60%013%0.125CC..Hα-helixtrans-67.2-40.6174.1-73.1-82.3000112.1A123 L124 A125 R129 S130 T131 F135 L181 L184 M185 L188 L267 V275A123-F127 WeakPolarHBondContact O-CD2 3.13Å; L124-F127 PolarHBondContact O-N 2.75Å; A125-F127 VanDerWaalsContact C-N 3.35Å; A125-F127 PolarHBondContact O-N 2.87Å; F127-R129 VanDerWaalsContact C-N 3.33Å; F127-R129 PolarHBondContact O-N 3.1Å; F127-S130 PolarHBondContact O-N 3.44Å; F127-T131 WeakPolarHBondContact O-CA 3.24Å; F127-T131 WeakPolarHBondContact O-CB 3.49Å; F127-T131 PolarHBondContact O-N 3.35Å; F127-T131 PolarHBondContact O-OG1 3.49Å; F127-F135 HydrophobicContact CB-CD2 4.46Å; F127-F135 HydrophobicContact CB-CE2 3.83Å; F127-F135 AromaticContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CZ 4.39Å; F127-F135 AromaticContact CG-CE2 3.98Å; F127-F135 HydrophobicContact CG-CE2 3.98Å; F127-L181 HydrophobicContact CD2-CD2 4.01Å; F127-L181 HydrophobicContact CE2-CD2 3.57Å; F127-L181 HydrophobicContact CZ-CD2 4.32Å; F127-L184 HydrophobicContact CD2-CB 4.34Å; F127-L184 HydrophobicContact CD2-CD1 4.16Å; F127-L184 HydrophobicContact CE2-CB 3.46Å; F127-L184 VanDerWaalsContact CE2-CB 3.46Å; F127-L184 HydrophobicContact CE2-CD1 3.82Å; F127-L184 HydrophobicContact CE2-CG 4.32Å; F127-L184 HydrophobicContact CZ-CB 3.84Å; F127-M185 HydrophobicContact CE1-CG 4.31Å; F127-M185 HydrophobicContact CE1-SD 4.05Å; F127-M185 HydrophobicContact CZ-CG 4.03Å; F127-M185 HydrophobicContact CZ-SD 4.38Å; F127-L188 HydrophobicContact CD1-CD1 3.7Å; F127-L188 HydrophobicContact CE1-CD1 3.49Å; F127-L188 VanDerWaalsContact CE1-CD1 3.49Å; F127-L188 HydrophobicContact CZ-CD1 4.2Å; F127-L267 HydrophobicContact CD1-CD1 3.99Å; F127-L267 HydrophobicContact CE1-CD1 3.72Å; F127-L267 HydrophobicContact CE1-CD2 4.2Å; F127-L267 HydrophobicContact CE2-CD1 4.46Å; F127-L267 HydrophobicContact CG-CD1 4.47Å; F127-L267 HydrophobicContact CZ-CD1 3.99Å; F127-L267 HydrophobicContact CZ-CD2 3.97Å; F127-L267 HydrophobicContact CZ-CG 4.47Å; F127-V275 HydrophobicContact CE1-CG2 4.27Å
128E94.6Very high96.4Very high1 Ų126.9 Ų26.91%0.00513%0.131CC..Hα-helixtrans-65.4-38.4-178.9-55.6-153.4136.400112.1L124 A125 V133 R134 F135 S306 L309L124-E128 WeakPolarHBondContact O-CG 3.46Å; L124-E128 PolarHBondContact O-N 2.96Å; A125-E128 PolarHBondContact O-N 3.11Å; E128-V133 WeakPolarHBondContact CA-O 3.3Å; E128-R134 PolarHBondContact O-NH1 2.98Å; E128-R134 PolarHBondContact O-NH2 2.85Å; E128-R134 WeakPolarHBondContact OE1-CA 3.27Å; E128-R134 VanDerWaalsContact OE1-CD 3.3Å; E128-R134 WeakPolarHBondContact OE1-CD 3.47Å; E128-F135 PolarHBondContact OE1-N 3.29Å; E128-S306 PolarHBondContact OE1-OG 3.29Å; E128-S306 VanDerWaalsContact OE2-CB 3.27Å; E128-S306 WeakPolarHBondContact OE2-CB 3.5Å; E128-S306 PolarHBondContact OE2-N 3.07Å; E128-S306 PolarHBondContact OE2-OG 3.08Å; E128-L309 HydrophobicContact CG-CD2 4.16Å; E128-L309 WeakPolarHBondContact OE2-CD2 3.49Å
129R93.9Very high96.3Very high116 Ų11632.3 Ų32.344%0.43816%0.156SC..Hα-helixtrans-68.5-35.7176.6-175.6177.668-169.14112.9A125 E126 F127 P302A125-R129 WeakPolarHBondContact O-CB 3.39Å; A125-R129 PolarHBondContact O-N 3.45Å; E126-R129 IonicContact OE1-CZ 3.94Å; E126-R129 IonicContact OE1-NE 3.65Å; E126-R129 IonicContact OE1-NH2 3.6Å; E126-R129 PolarHBondContact OE1-NH2 3.11Å; E126-R129 IonicContact OE2-CZ 3.5Å; E126-R129 IonicContact OE2-NH2 2.68Å; E126-R129 PolarHBondContact OE2-NH2 2.92Å; F127-R129 VanDerWaalsContact C-N 3.33Å; F127-R129 PolarHBondContact O-N 3.1Å; R129-P302 HydrophobicContact CG-CB 4.42Å
130S93.8Very high96.2Very high32 Ų3233.4 Ų33.422%0.22417%0.173CC..Hα-helixtrans-104-12.8-168.3-59.90000114.4E126 F127 I272E126-S130 VanDerWaalsContact O-CB 3.25Å; E126-S130 WeakPolarHBondContact O-CB 3.48Å; E126-S130 PolarHBondContact O-N 3.47Å; E126-S130 VanDerWaalsContact O-N 3.16Å; E126-S130 PolarHBondContact O-OG 3.12Å; E126-S130 VanDerWaalsContact O-OG 3.11Å; E126-S130 PolarHBondContact OE1-OG 2.86Å; F127-S130 PolarHBondContact O-N 3.44Å; S130-I272 WeakPolarHBondContact O-CG2 3.33Å
131T95.8Very high96.1Very high12 Ų1236.1 Ų36.17%0.07419%0.186CC..SBendtrans-142.9179.6-172.979.10000112.8F127 V133 R134 I272 V275F127-T131 WeakPolarHBondContact O-CA 3.24Å; F127-T131 WeakPolarHBondContact O-CB 3.49Å; F127-T131 PolarHBondContact O-N 3.35Å; F127-T131 PolarHBondContact O-OG1 3.49Å; T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 WeakPolarHBondContact OG1-CB 3.49Å; T131-V133 PolarHBondContact OG1-N 2.69Å; T131-R134 PolarHBondContact O-NH1 3.29Å; T131-I272 HydrophobicContact CG2-CG2 4.29Å; T131-V275 HydrophobicContact CG2-CB 3.98Å; T131-V275 HydrophobicContact CG2-CG1 3.76Å
132C95.4Very high96Very high18 Ų1845.7 Ų45.712%0.12222%0.222CC..SBendtrans-86.22.6170.169.20000114.3G100 V102 C281G100-C132 WeakPolarHBondContact O-CB 3.31Å; G100-C132 PolarHBondContact O-SG 3.19Å; V102-C132 PolarHBondContact N-O 2.98Å; C132-C281 HydrophobicContact CB-CB 3.62Å; C132-C281 WeakPolarHBondContact CB-SG 3.47Å; C132-C281 PolarHBondContact N-SG 2.92Å; C132-C281 WeakPolarHBondContact SG-CA 3.16Å; C132-C281 WeakPolarHBondContact SG-CB 3.28Å; C132-C281 CovalentContact SG-SG 2.03Å; C132-C281 PolarHBondContact SG-SG 3.2Å
133V96.9Very high96Very high0 Ų043.5 Ų43.50%021%0.212CC..EExtended strand (participates in β ladder)trans-73.4135.7175.1178.40000109.8V102 V104 E128 T131 F135 L188 V275V102-V133 HydrophobicContact CB-CG2 4.34Å; V102-V133 CarbonylContact O-C 3.54Å; V102-V133 WeakPolarHBondContact O-CA 3.42Å; V104-V133 HydrophobicContact CG2-CG1 4.05Å; E128-V133 WeakPolarHBondContact CA-O 3.3Å; T131-V133 VanDerWaalsContact C-N 3.33Å; T131-V133 WeakPolarHBondContact OG1-CB 3.49Å; T131-V133 PolarHBondContact OG1-N 2.69Å; V133-F135 HydrophobicContact CG1-CD2 4.31Å; V133-F135 HydrophobicContact CG1-CE2 3.89Å; V133-F135 HydrophobicContact CG1-CZ 4.12Å; V133-L188 HydrophobicContact CG1-CD2 3.92Å; V133-L188 HydrophobicContact CG2-CD1 4.09Å; V133-L188 HydrophobicContact CG2-CD2 3.77Å; V133-V275 HydrophobicContact CG2-CG1 3.75Å
134R96.3Very high96Very high60 Ų6044.5 Ų44.523%0.22622%0.217CC..EExtended strand (participates in β ladder)trans-127.6130.1174.2-65.2-63.3177.5-90.115.8110.1V101 V102 E103 V104 E128 T131 V136V101-R134 HydrophobicContact CG1-CB 4.1Å; V101-R134 HydrophobicContact CG1-CG 3.64Å; V102-R134 PolarHBondContact O-N 3.16Å; E103-R134 WeakPolarHBondContact CA-O 3.37Å; V104-R134 PolarHBondContact N-O 2.99Å; E128-R134 PolarHBondContact O-NH1 2.98Å; E128-R134 PolarHBondContact O-NH2 2.85Å; E128-R134 WeakPolarHBondContact OE1-CA 3.27Å; E128-R134 VanDerWaalsContact OE1-CD 3.3Å; E128-R134 WeakPolarHBondContact OE1-CD 3.47Å; T131-R134 PolarHBondContact O-NH1 3.29Å; R134-V136 HydrophobicContact CB-CG1 4.5Å
135F97.1Very high96Very high1 Ų144.5 Ų44.50%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-97.3103.8178.2-73.7-77.9000108.3V104 F106 L124 F127 E128 V133 I145 L184V104-F135 HydrophobicContact CB-CD1 3.76Å; V104-F135 HydrophobicContact CB-CE1 3.74Å; V104-F135 HydrophobicContact CG1-CD1 3.94Å; V104-F135 HydrophobicContact CG1-CE1 3.68Å; V104-F135 HydrophobicContact CG2-CE1 4.33Å; V104-F135 WeakPolarHBondContact O-CA 3.5Å; F106-F135 HydrophobicContact CD1-CB 3.91Å; F106-F135 HydrophobicContact CE1-CB 4.09Å; F106-F135 WeakPolarHBondContact CE1-O 3.37Å; L124-F135 HydrophobicContact CB-CB 4.02Å; L124-F135 HydrophobicContact CB-CD2 3.78Å; L124-F135 HydrophobicContact CB-CG 4.04Å; L124-F135 HydrophobicContact CD1-CB 4.04Å; L124-F135 HydrophobicContact CD1-CG 4.45Å; L124-F135 HydrophobicContact CD2-CB 4.04Å; L124-F135 HydrophobicContact CD2-CD1 3.68Å; L124-F135 HydrophobicContact CD2-CD2 3.73Å; L124-F135 HydrophobicContact CD2-CE1 3.99Å; L124-F135 HydrophobicContact CD2-CE2 4.03Å; L124-F135 HydrophobicContact CD2-CG 3.54Å; L124-F135 HydrophobicContact CD2-CZ 4.16Å; L124-F135 HydrophobicContact CG-CB 4.24Å; L124-F135 HydrophobicContact CG-CD2 4.29Å; L124-F135 HydrophobicContact CG-CG 4.19Å; F127-F135 HydrophobicContact CB-CD2 4.46Å; F127-F135 HydrophobicContact CB-CE2 3.83Å; F127-F135 AromaticContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CE2 3.82Å; F127-F135 HydrophobicContact CD2-CZ 4.39Å; F127-F135 AromaticContact CG-CE2 3.98Å; F127-F135 HydrophobicContact CG-CE2 3.98Å; E128-F135 PolarHBondContact OE1-N 3.29Å; V133-F135 HydrophobicContact CG1-CD2 4.31Å; V133-F135 HydrophobicContact CG1-CE2 3.89Å; V133-F135 HydrophobicContact CG1-CZ 4.12Å; F135-I145 HydrophobicContact CD1-CD1 4.43Å; F135-I145 HydrophobicContact CE1-CD1 4.15Å; F135-L184 HydrophobicContact CE1-CD2 3.81Å; F135-L184 HydrophobicContact CE2-CD1 4.49Å; F135-L184 HydrophobicContact CZ-CB 4.36Å; F135-L184 HydrophobicContact CZ-CD1 4.24Å; F135-L184 HydrophobicContact CZ-CD2 3.8Å; F135-L184 HydrophobicContact CZ-CG 4.35Å
136V95.9Very high96.1Very high20 Ų2044.2 Ų44.212%0.12121%0.214CC..EExtended strand (participates in β ladder)trans-100.4146.3-175.1-60.10000110.2E103 V104 P105 F106 R134 Y138E103-V136 HydrophobicContact CB-CG1 4.48Å; E103-V136 HydrophobicContact CB-CG2 4.24Å; E103-V136 HydrophobicContact CG-CG1 4.2Å; V104-V136 PolarHBondContact O-N 2.75Å; P105-V136 CarbonylContact C-O 3.46Å; P105-V136 VanDerWaalsContact CA-O 3.27Å; P105-V136 WeakPolarHBondContact CA-O 3.15Å; P105-V136 HydrophobicContact CB-CG2 4.05Å; P105-V136 HydrophobicContact CG-CG2 3.98Å; F106-V136 WeakPolarHBondContact CD1-O 3.25Å; F106-V136 PolarHBondContact N-O 2.78Å; R134-V136 HydrophobicContact CB-CG1 4.5Å; V136-Y138 PolarHBondContact O-N 3.34Å
137T96.3Very high96.2Very high50 Ų5044 Ų4431%0.30721%0.212SC..EExtended strand (participates in β ladder)trans-63.5139.6175.550.70000110.5F106 Q139F106-T137 HydrophobicContact CE1-CG2 4.4Å; F106-T137 HydrophobicContact CZ-CG2 4.23Å; T137-Q139 PolarHBondContact O-N 3.26Å; T137-Q139 PolarHBondContact OG1-NE2 3.35Å
138Y96.1Very high96.3Very high89 Ų8945.8 Ų45.835%0.34922%0.222SC..PPolyproline II helixtrans-63.2126.7176173.6-101.6000111.2F106 V136 Q141 F144F106-Y138 WeakPolarHBondContact O-CB 3.36Å; F106-Y138 PolarHBondContact O-N 3.13Å; V136-Y138 PolarHBondContact O-N 3.34Å; Y138-Q141 WeakPolarHBondContact CE2-O 3.31Å; Y138-F144 HydrophobicContact CD2-CB 3.72Å; Y138-F144 AromaticContact CD2-CD1 3.74Å; Y138-F144 HydrophobicContact CD2-CD1 3.74Å; Y138-F144 AromaticContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CE1 4.21Å; Y138-F144 HydrophobicContact CD2-CE2 4.2Å; Y138-F144 AromaticContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CG 3.47Å; Y138-F144 VanDerWaalsContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CZ 4.41Å; Y138-F144 HydrophobicContact CE2-CB 4.22Å; Y138-F144 AromaticContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD2 4.05Å; Y138-F144 AromaticContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE2 4.19Å; Y138-F144 AromaticContact CE2-CG 3.64Å; Y138-F144 HydrophobicContact CE2-CG 3.64Å; Y138-F144 AromaticContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CG-CD2 4.16Å; Y138-F144 HydrophobicContact CG-CE2 4.46Å; Y138-F144 HydrophobicContact CG-CG 4.33Å; Y138-F144 AromaticContact CZ-CE1 3.9Å
139Q95.6Very high96.4Very high157 Ų15747.7 Ų47.773%0.73423%0.234SC*.SBendtrans-133.620.5-177.3-66.117632.200111.7T137T137-Q139 PolarHBondContact O-N 3.26Å; T137-Q139 PolarHBondContact OG1-NE2 3.35Å
140G95.2Very high96.5Very high51 Ų5146.6 Ų46.653%0.52624%0.235SC..SBendtrans103.513.2-178.500000115.4
141Q96.4Very high96.4Very high57 Ų5754.7 Ų54.727%0.26626%0.262SS..  trans-62.4137.3173.4-57.387.8-15.500110.5P105 Y138 D143P105-Q141 HydrophobicContact CB-CB 4.19Å; P105-Q141 HydrophobicContact CB-CG 4.15Å; P105-Q141 HydrophobicContact CG-CB 3.79Å; P105-Q141 HydrophobicContact CG-CG 3.68Å; Y138-Q141 WeakPolarHBondContact CE2-O 3.31Å; Q141-D143 VanDerWaalsContact C-N 3.27Å; Q141-D143 PolarHBondContact O-N 3.18Å
142R95Very high96.3Very high201 Ų20154.4 Ų54.476%0.75826%0.262SS*.SBendtrans-53.3-43.5-177.3179.8-169.9162.2156.71.4113.3G162R142-G162 CarbonylContact O-C 3.47Å; R142-G162 VanDerWaalsContact O-CA 3.25Å; R142-G162 WeakPolarHBondContact O-CA 3.38Å
143D96Very high96.4Very high23 Ų2353.5 Ų53.512%0.12326%0.256CS..SBendtrans-113.7127.5-176.1-48.7-41.6000109.4W94 Q141 R159 G161 G162W94-D143 HydrophobicContact CH2-CB 4.48Å; W94-D143 HydrophobicContact CZ3-CB 4.08Å; Q141-D143 VanDerWaalsContact C-N 3.27Å; Q141-D143 PolarHBondContact O-N 3.18Å; D143-R159 HydrophobicContact CB-CG 4.16Å; D143-R159 IonicContact OD2-CZ 3.75Å; D143-R159 IonicContact OD2-NH1 3.67Å; D143-R159 PolarHBondContact OD2-NH1 2.75Å; D143-G161 VanDerWaalsContact OD1-CA 3.32Å; D143-G161 WeakPolarHBondContact OD1-CA 3.47Å; D143-G162 WeakPolarHBondContact CA-O 3.38Å; D143-G162 PolarHBondContact OD1-N 2.9Å
144F97.8Very high96.4Very high22 Ų2254 Ų5410%0.09626%0.258CS..EExtended strand (participates in β ladder)trans-158.6159.5-175.868.4-81.1000111.7P105 L107 Y138 G162 M163 Q164P105-F144 HydrophobicContact CB-CB 3.87Å; P105-F144 CarbonylContact O-C 3.58Å; P105-F144 VanDerWaalsContact O-CA 3.32Å; P105-F144 WeakPolarHBondContact O-CA 3.22Å; P105-F144 WeakPolarHBondContact O-CB 3.37Å; L107-F144 HydrophobicContact CB-CD2 4.34Å; L107-F144 HydrophobicContact CB-CE2 4.3Å; L107-F144 HydrophobicContact CD2-CE2 4.48Å; Y138-F144 HydrophobicContact CD2-CB 3.72Å; Y138-F144 AromaticContact CD2-CD1 3.74Å; Y138-F144 HydrophobicContact CD2-CD1 3.74Å; Y138-F144 AromaticContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CD2 3.73Å; Y138-F144 HydrophobicContact CD2-CE1 4.21Å; Y138-F144 HydrophobicContact CD2-CE2 4.2Å; Y138-F144 AromaticContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CG 3.47Å; Y138-F144 VanDerWaalsContact CD2-CG 3.47Å; Y138-F144 HydrophobicContact CD2-CZ 4.41Å; Y138-F144 HydrophobicContact CE2-CB 4.22Å; Y138-F144 AromaticContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD1 3.36Å; Y138-F144 HydrophobicContact CE2-CD2 4.05Å; Y138-F144 AromaticContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE1 3.53Å; Y138-F144 HydrophobicContact CE2-CE2 4.19Å; Y138-F144 AromaticContact CE2-CG 3.64Å; Y138-F144 HydrophobicContact CE2-CG 3.64Å; Y138-F144 AromaticContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CE2-CZ 3.94Å; Y138-F144 HydrophobicContact CG-CD2 4.16Å; Y138-F144 HydrophobicContact CG-CE2 4.46Å; Y138-F144 HydrophobicContact CG-CG 4.33Å; Y138-F144 AromaticContact CZ-CE1 3.9Å; F144-G162 PolarHBondContact N-O 3.14Å; F144-G162 VanDerWaalsContact N-O 3.16Å; F144-M163 HydrophobicContact CD1-CB 4.38Å; F144-M163 HydrophobicContact CD2-CG 4.38Å; F144-M163 HydrophobicContact CE1-CB 3.71Å; F144-M163 HydrophobicContact CE1-CG 4.29Å; F144-M163 HydrophobicContact CE2-CB 4.06Å; F144-M163 HydrophobicContact CE2-CG 3.69Å; F144-M163 HydrophobicContact CZ-CB 3.53Å; F144-M163 HydrophobicContact CZ-CG 3.64Å; F144-M163 HydrophobicContact CZ-SD 4.42Å; F144-M163 WeakPolarHBondContact O-CA 3.48Å; F144-Q164 PolarHBondContact O-N 2.99Å
145I98.6Very high96.5Very high0 Ų051.1 Ų51.10%025%0.247CC..EExtended strand (participates in β ladder)trans-94.6138.5171.968.9177.2000111.1W94 V104 P105 F106 L107 F135 I147 Q164 V166 L184 V187W94-I145 HydrophobicContact CH2-CG2 4.12Å; W94-I145 HydrophobicContact CZ2-CG2 3.81Å; V104-I145 HydrophobicContact CG1-CD1 4.21Å; V104-I145 HydrophobicContact CG1-CG1 4.44Å; V104-I145 HydrophobicContact CG1-CG2 4.17Å; P105-I145 PolarHBondContact O-N 3.38Å; F106-I145 CarbonylContact C-O 3.57Å; F106-I145 WeakPolarHBondContact CA-O 3.48Å; F106-I145 HydrophobicContact CB-CD1 3.98Å; F106-I145 HydrophobicContact CB-CG1 3.51Å; L107-I145 PolarHBondContact N-O 3Å; F135-I145 HydrophobicContact CD1-CD1 4.43Å; F135-I145 HydrophobicContact CE1-CD1 4.15Å; I145-I147 HydrophobicContact CD1-CD1 4.05Å; I145-I147 HydrophobicContact CD1-CG1 4.09Å; I145-I147 HydrophobicContact CG1-CG1 4.21Å; I145-Q164 CarbonylContact C-O 3.38Å; I145-Q164 WeakPolarHBondContact CA-O 3.47Å; I145-Q164 HydrophobicContact CB-CG 4.47Å; I145-Q164 HydrophobicContact CG2-CG 3.79Å; I145-V166 HydrophobicContact CB-CG2 4.14Å; I145-V166 HydrophobicContact CD1-CG2 4.39Å; I145-V166 HydrophobicContact CG2-CG2 4.43Å; I145-L184 HydrophobicContact CD1-CD2 4.01Å; I145-V187 HydrophobicContact CG2-CG1 3.7Å; I145-V187 HydrophobicContact CG2-CG2 4.14Å
146S98.4Very high96.4Very high12 Ų1251.9 Ų51.98%0.08425%0.252CS..EExtended strand (participates in β ladder)trans-110.2106.7172.4-170.40000108.6Q164 V166S146-Q164 PolarHBondContact N-O 2.83Å; S146-V166 PolarHBondContact O-N 2.74Å
147I98.8Very high96.3Very high1 Ų151.6 Ų51.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-89.6111.2-177.4-52.2177000107.8F106 L107 L108 S109 Y112 I120 I145 V166 L168F106-I147 HydrophobicContact CB-CD1 4.29Å; F106-I147 HydrophobicContact CD2-CD1 4.2Å; L107-I147 PolarHBondContact O-N 2.96Å; L108-I147 HydrophobicContact CD1-CB 4.01Å; L108-I147 HydrophobicContact CD1-CG2 3.96Å; S109-I147 WeakPolarHBondContact CB-O 3.22Å; S109-I147 PolarHBondContact N-O 2.88Å; Y112-I147 HydrophobicContact CE2-CG2 4.1Å; Y112-I147 WeakPolarHBondContact CE2-O 3.32Å; I120-I147 HydrophobicContact CD1-CG2 4.13Å; I120-I147 HydrophobicContact CG2-CD1 4.1Å; I120-I147 HydrophobicContact CG2-CG2 4.41Å; I145-I147 HydrophobicContact CD1-CD1 4.05Å; I145-I147 HydrophobicContact CD1-CG1 4.09Å; I145-I147 HydrophobicContact CG1-CG1 4.21Å; I147-V166 WeakPolarHBondContact CA-O 3.36Å; I147-V166 HydrophobicContact CG1-CB 4.36Å; I147-L168 HydrophobicContact CG2-CD1 3.76Å
148I98.3Very high96.2Very high38 Ų3849.2 Ų49.220%0.19524%0.236CC..EExtended strand (participates in β ladder)trans-139.8143.1-169.356.7176.5000112.6Y112 M150 V165 V166 S167 L168Y112-I148 PolarHBondContact OH-N 3.08Å; Y112-I148 PolarHBondContact OH-O 3.03Å; I148-M150 VanDerWaalsContact C-N 3.26Å; I148-M150 HydrophobicContact CD1-CG 3.82Å; I148-M150 HydrophobicContact CD1-SD 3.54Å; I148-M150 VanDerWaalsContact CD1-SD 3.54Å; I148-M150 HydrophobicContact CG1-CG 4.04Å; I148-M150 HydrophobicContact CG1-SD 4.2Å; I148-M150 PolarHBondContact O-N 3.25Å; I148-V165 HydrophobicContact CD1-CG1 3.85Å; I148-V165 HydrophobicContact CD1-CG2 4.04Å; I148-V165 HydrophobicContact CG1-CG1 3.91Å; I148-V166 PolarHBondContact N-O 3.39Å; I148-S167 WeakPolarHBondContact O-CA 3.29Å; I148-L168 PolarHBondContact O-N 2.81Å; I148-L168 VanDerWaalsContact O-N 3.12Å
149P96.9Very high96.1Very high41 Ų4146.6 Ų46.627%0.26623%0.226SC..  trans-82.673.5177.932.2-32.3000109.9K111 Y112K111-P149 HydrophobicContact CB-CG 3.77Å; K111-P149 HydrophobicContact CD-CG 4.39Å; Y112-P149 HydrophobicContact CD1-CB 4.32Å; Y112-P149 HydrophobicContact CD1-CG 4.42Å; Y112-P149 HydrophobicContact CE1-CB 3.69Å; Y112-P149 HydrophobicContact CE1-CG 4.09Å
150M95.3Very high95.9Very high93 Ų9340.5 Ų40.546%0.45820%0.2SC..  trans-78.4177.4160.3-68.2176.965.500109.2I148 F154 V165 S167 A169I148-M150 VanDerWaalsContact C-N 3.26Å; I148-M150 HydrophobicContact CD1-CG 3.82Å; I148-M150 HydrophobicContact CD1-SD 3.54Å; I148-M150 VanDerWaalsContact CD1-SD 3.54Å; I148-M150 HydrophobicContact CG1-CG 4.04Å; I148-M150 HydrophobicContact CG1-SD 4.2Å; I148-M150 PolarHBondContact O-N 3.25Å; M150-F154 HydrophobicContact CE-CZ 4.14Å; M150-F154 HydrophobicContact SD-CZ 4.36Å; M150-V165 HydrophobicContact SD-CG1 4.1Å; M150-S167 WeakPolarHBondContact CB-OG 3.36Å; M150-S167 PolarHBondContact O-OG 3.33Å; M150-A169 WeakPolarHBondContact O-CA 3.38Å; M150-A169 VanDerWaalsContact O-CB 3.3Å; M150-A169 WeakPolarHBondContact O-CB 3.32Å
151Y92.4Very high95.6Very high202 Ų20239.6 Ų39.679%0.79219%0.191SC*.SBendtrans-67.2140.7169.9-66.9-71.5000110.1L62 F154 S167L62-Y151 WeakPolarHBondContact CD1-O 3.37Å; Y151-F154 VanDerWaalsContact O-CE1 3.28Å; Y151-F154 WeakPolarHBondContact O-CE1 3.4Å; Y151-S167 PolarHBondContact O-OG 2.62Å
152G94.2Very high95.4Very high6 Ų638.1 Ų38.16%0.06219%0.191CC..SBendtrans76.3177.1179.600000116.4N59 S167 A169 C172N59-G152 WeakPolarHBondContact OD1-CA 3.35Å; G152-S167 PolarHBondContact O-OG 2.8Å; G152-A169 PolarHBondContact O-N 2.72Å; G152-A169 VanDerWaalsContact O-N 3.09Å; G152-C172 VanDerWaalsContact C-SG 3.59Å; G152-C172 PolarHBondContact O-SG 2.87Å
153C96.9Very high95.4Very high0 Ų033.7 Ų33.70%018%0.18CC..EExtended strand (participates in β ladder)trans-114.9113.3175.3-32.80000107.2I55 N59 D77 S167 C172 I179 E183I55-C153 HydrophobicContact CG2-CB 4.06Å; N59-C153 PolarHBondContact ND2-O 2.66Å; N59-C153 PolarHBondContact OD1-N 2.97Å; N59-C153 PolarHBondContact OD1-O 2.79Å; D77-C153 WeakPolarHBondContact CB-O 3.5Å; C153-S167 WeakPolarHBondContact CA-O 3.38Å; C153-C172 WeakPolarHBondContact CA-SG 3.32Å; C153-C172 HydrophobicContact CB-CB 3.98Å; C153-C172 WeakPolarHBondContact CB-SG 3.38Å; C153-C172 WeakPolarHBondContact SG-CB 3.37Å; C153-C172 CovalentContact SG-SG 2.03Å; C153-C172 PolarHBondContact SG-SG 3.47Å; C153-I179 HydrophobicContact CB-CG2 3.76Å; C153-E183 WeakPolarHBondContact CB-OE1 3.46Å
154F97.8Very high95.4Very high10 Ų1032.9 Ų32.94%0.04418%0.176CC..EExtended strand (participates in β ladder)trans-160.8158.8-178.462.4-107.6000112.9L62 F72 L73 D77 V79 M150 Y151 V165 S167 E183L62-F154 HydrophobicContact CD1-CD1 3.92Å; L62-F154 HydrophobicContact CD1-CE1 3.98Å; F72-F154 HydrophobicContact CE2-CE1 4.18Å; F72-F154 HydrophobicContact CE2-CE2 4.31Å; F72-F154 HydrophobicContact CE2-CZ 4.07Å; F72-F154 HydrophobicContact CZ-CE1 4.23Å; F72-F154 HydrophobicContact CZ-CZ 4.45Å; L73-F154 HydrophobicContact CD1-CB 4.44Å; L73-F154 HydrophobicContact CD1-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CB 3.75Å; L73-F154 HydrophobicContact CD2-CD1 4.37Å; L73-F154 HydrophobicContact CD2-CD2 4.3Å; L73-F154 HydrophobicContact CD2-CG 3.94Å; D77-F154 HydrophobicContact CB-CB 4.34Å; D77-F154 WeakPolarHBondContact O-CA 3.34Å; D77-F154 WeakPolarHBondContact O-CB 3.25Å; V79-F154 HydrophobicContact CG2-CD2 3.59Å; V79-F154 HydrophobicContact CG2-CE2 4.06Å; M150-F154 HydrophobicContact CE-CZ 4.14Å; M150-F154 HydrophobicContact SD-CZ 4.36Å; Y151-F154 VanDerWaalsContact O-CE1 3.28Å; Y151-F154 WeakPolarHBondContact O-CE1 3.4Å; F154-V165 HydrophobicContact CE2-CG1 4.05Å; F154-S167 VanDerWaalsContact CE1-CB 3.47Å; F154-S167 PolarHBondContact N-O 2.74Å; F154-S167 VanDerWaalsContact N-O 3.13Å; F154-S167 PolarHBondContact O-N 3.08Å; F154-E183 VanDerWaalsContact CA-OE2 3.25Å; F154-E183 WeakPolarHBondContact CA-OE2 3.23Å; F154-E183 PolarHBondContact N-OE1 2.99Å
155S97.6Very high95.4Very high0 Ų033.6 Ų33.60%018%0.181CC..EExtended strand (participates in β ladder)trans-158166179.3550000113.2D77 I78 V79 E183 H186D77-S155 PolarHBondContact O-N 2.92Å; I78-S155 WeakPolarHBondContact CA-O 3.3Å; V79-S155 PolarHBondContact N-O 3.25Å; S155-E183 VanDerWaalsContact CB-OE2 3.3Å; S155-E183 WeakPolarHBondContact CB-OE2 3.3Å; S155-E183 PolarHBondContact N-OE2 2.68Å; S155-E183 VanDerWaalsContact N-OE2 3.1Å; S155-E183 PolarHBondContact OG-O 3.15Å; S155-E183 PolarHBondContact OG-OE2 3.35Å; S155-H186 WeakPolarHBondContact OG-CB 3.3Å
156S95.4Very high95.4Very high16 Ų1633.6 Ų33.611%0.11218%0.182CC..  trans-84.8139171.3-64.50000111.3G158 S160S156-G158 PolarHBondContact O-N 3.34Å; S156-S160 VanDerWaalsContact CB-OG 3.29Å; S156-S160 WeakPolarHBondContact CB-OG 3.38Å
157V94.2Very high95.4Very high15 Ų1533 Ų339%0.09118%0.178CC..SBendtrans-70.9123.1171.6178.10000111.5I78 R85 H186 W191I78-V157 HydrophobicContact CB-CG2 4.44Å; I78-V157 HydrophobicContact CD1-CG2 3.86Å; I78-V157 HydrophobicContact CG1-CG2 4.01Å; I78-V157 HydrophobicContact CG2-CB 4.46Å; I78-V157 HydrophobicContact CG2-CG2 3.62Å; R85-V157 PolarHBondContact NH1-O 3.03Å; R85-V157 PolarHBondContact NH2-O 3.22Å; V157-H186 CarbonylContact C-O 3.49Å; V157-H186 VanDerWaalsContact CA-O 3.31Å; V157-H186 WeakPolarHBondContact CA-O 3.39Å; V157-H186 HydrophobicContact CG2-CB 4.33Å; V157-W191 HydrophobicContact CB-CZ2 4.28Å; V157-W191 HydrophobicContact CG1-CZ2 4.3Å; V157-W191 HydrophobicContact CG2-CD2 4.26Å; V157-W191 HydrophobicContact CG2-CZ2 4.35Å
158G94.5Very high95.4Very high0 Ų033 Ų330%018%0.178CC..SBendtrans69.8-176.8178.600000114.2S92 S156 S160 Q164 H186 V187S92-G158 CarbonylContact O-C 3.51Å; S92-G158 VanDerWaalsContact O-CA 3.31Å; S92-G158 WeakPolarHBondContact O-CA 3.42Å; S156-G158 PolarHBondContact O-N 3.34Å; G158-S160 PolarHBondContact O-N 3.02Å; G158-S160 PolarHBondContact O-OG 3.22Å; G158-Q164 PolarHBondContact O-NE2 2.8Å; G158-Q164 PolarHBondContact O-OE1 2.85Å; G158-H186 PolarHBondContact N-O 3.47Å; G158-V187 CarbonylContact C-O 3.59Å; G158-V187 WeakPolarHBondContact CA-O 3.49Å
159R93.8Very high95.3Very high34 Ų3431.5 Ų31.513%0.12817%0.171CC..  trans-67.1120.8171.6-171.4179.660.297.89.1109.8R85 S91 S92 K93 W94 D143R85-R159 PolarHBondContact NH2-O 3.11Å; S91-R159 PolarHBondContact O-NH2 3.23Å; S92-R159 PolarHBondContact O-N 3.37Å; K93-R159 PolarHBondContact O-NE 3.43Å; W94-R159 HydrophobicContact CD2-CB 3.84Å; W94-R159 HydrophobicContact CD2-CG 3.98Å; W94-R159 HydrophobicContact CE3-CB 4.31Å; W94-R159 HydrophobicContact CE3-CG 3.93Å; W94-R159 HydrophobicContact CG-CB 4.11Å; W94-R159 HydrophobicContact CH2-CG 4.04Å; W94-R159 HydrophobicContact CZ2-CB 4.14Å; W94-R159 HydrophobicContact CZ2-CG 4.11Å; W94-R159 HydrophobicContact CZ3-CG 3.96Å; D143-R159 HydrophobicContact CB-CG 4.16Å; D143-R159 IonicContact OD2-CZ 3.75Å; D143-R159 IonicContact OD2-NH1 3.67Å; D143-R159 PolarHBondContact OD2-NH1 2.75Å
160S90.1Very high95.2Very high29 Ų2933 Ų3320%0.20318%0.18CC..  trans-96-20-175.3-58.70000113.7R85 S156 G158 Q164R85-S160 PolarHBondContact NH1-OG 2.79Å; R85-S160 PolarHBondContact NH2-OG 2.68Å; S156-S160 VanDerWaalsContact CB-OG 3.29Å; S156-S160 WeakPolarHBondContact CB-OG 3.38Å; G158-S160 PolarHBondContact O-N 3.02Å; G158-S160 PolarHBondContact O-OG 3.22Å; S160-Q164 PolarHBondContact OG-OE1 3.21Å
161G89.1Confident95.1Very high31 Ų3131.1 Ų31.132%0.3217%0.174SC..SBendtrans89.4132.3-173.800000111.2D143D143-G161 VanDerWaalsContact OD1-CA 3.32Å; D143-G161 WeakPolarHBondContact OD1-CA 3.47Å
162G92.8Very high95.2Very high26 Ų2621.5 Ų21.527%0.26814%0.136SC..SBendtrans71.9-159.5-170.300000112.9R142 D143 F144R142-G162 CarbonylContact O-C 3.47Å; R142-G162 VanDerWaalsContact O-CA 3.25Å; R142-G162 WeakPolarHBondContact O-CA 3.38Å; D143-G162 WeakPolarHBondContact CA-O 3.38Å; D143-G162 PolarHBondContact OD1-N 2.9Å; F144-G162 PolarHBondContact N-O 3.14Å; F144-G162 VanDerWaalsContact N-O 3.16Å
163M95.1Very high95.3Very high109 Ų10921.6 Ų21.654%0.53714%0.136SC..EExtended strand (participates in β ladder)trans-68.9127168.6-176.4-164.571.300110.2F144 V165F144-M163 HydrophobicContact CD1-CB 4.38Å; F144-M163 HydrophobicContact CD2-CG 4.38Å; F144-M163 HydrophobicContact CE1-CB 3.71Å; F144-M163 HydrophobicContact CE1-CG 4.29Å; F144-M163 HydrophobicContact CE2-CB 4.06Å; F144-M163 HydrophobicContact CE2-CG 3.69Å; F144-M163 HydrophobicContact CZ-CB 3.53Å; F144-M163 HydrophobicContact CZ-CG 3.64Å; F144-M163 HydrophobicContact CZ-SD 4.42Å; F144-M163 WeakPolarHBondContact O-CA 3.48Å; M163-V165 HydrophobicContact CE-CG2 4.38Å
164Q96.1Very high95Very high6 Ų628.8 Ų28.83%0.02817%0.169CC..EExtended strand (participates in β ladder)trans-116.8142.3165.367.6-17273.300111.3F144 I145 S146 G158 S160F144-Q164 PolarHBondContact O-N 2.99Å; I145-Q164 CarbonylContact C-O 3.38Å; I145-Q164 WeakPolarHBondContact CA-O 3.47Å; I145-Q164 HydrophobicContact CB-CG 4.47Å; I145-Q164 HydrophobicContact CG2-CG 3.79Å; S146-Q164 PolarHBondContact N-O 2.83Å; G158-Q164 PolarHBondContact O-NE2 2.8Å; G158-Q164 PolarHBondContact O-OE1 2.85Å; S160-Q164 PolarHBondContact OG-OE1 3.21Å
165V97.5Very high94.4Very high36 Ų3633.7 Ų33.722%0.21819%0.19CC..EExtended strand (participates in β ladder)trans-81.9141.5-178.9170.50000110.8I148 M150 F154 M163I148-V165 HydrophobicContact CD1-CG1 3.85Å; I148-V165 HydrophobicContact CD1-CG2 4.04Å; I148-V165 HydrophobicContact CG1-CG1 3.91Å; M150-V165 HydrophobicContact SD-CG1 4.1Å; F154-V165 HydrophobicContact CE2-CG1 4.05Å; M163-V165 HydrophobicContact CE-CG2 4.38Å
166V98.6Very high94.1Very high1 Ų134.9 Ų34.91%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-120.3109.9158.2178.70000106.4I145 S146 I147 I148 L168 E183 V187I145-V166 HydrophobicContact CB-CG2 4.14Å; I145-V166 HydrophobicContact CD1-CG2 4.39Å; I145-V166 HydrophobicContact CG2-CG2 4.43Å; S146-V166 PolarHBondContact O-N 2.74Å; I147-V166 WeakPolarHBondContact CA-O 3.36Å; I147-V166 HydrophobicContact CG1-CB 4.36Å; I148-V166 PolarHBondContact N-O 3.39Å; V166-L168 HydrophobicContact CG1-CD1 4.34Å; V166-L168 HydrophobicContact CG1-CG 4.21Å; V166-E183 HydrophobicContact CG1-CB 3.89Å; V166-E183 HydrophobicContact CG1-CG 4.46Å; V166-V187 HydrophobicContact CG2-CG2 3.5Å
167S98.4Very high94.1Very high0 Ų037.1 Ų37.10%021%0.209CC..EExtended strand (participates in β ladder)trans-82.9127.5174.9-175.20000109.6I148 M150 Y151 G152 C153 F154I148-S167 WeakPolarHBondContact O-CA 3.29Å; M150-S167 WeakPolarHBondContact CB-OG 3.36Å; M150-S167 PolarHBondContact O-OG 3.33Å; Y151-S167 PolarHBondContact O-OG 2.62Å; G152-S167 PolarHBondContact O-OG 2.8Å; C153-S167 WeakPolarHBondContact CA-O 3.38Å; F154-S167 VanDerWaalsContact CE1-CB 3.47Å; F154-S167 PolarHBondContact N-O 2.74Å; F154-S167 VanDerWaalsContact N-O 3.13Å; F154-S167 PolarHBondContact O-N 3.08Å
168L98.1Very high94.2Very high0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-134.888.4167.5-63165.1000108.3Y112 I120 I147 I148 V166 C172 L173 I179 V180 E183Y112-L168 WeakPolarHBondContact CE1-O 3.49Å; Y112-L168 WeakPolarHBondContact OH-CB 3.29Å; Y112-L168 PolarHBondContact OH-O 3.32Å; Y112-L168 VanDerWaalsContact OH-O 3.05Å; I120-L168 HydrophobicContact CD1-CD1 4.16Å; I120-L168 HydrophobicContact CG1-CD1 4Å; I147-L168 HydrophobicContact CG2-CD1 3.76Å; I148-L168 PolarHBondContact O-N 2.81Å; I148-L168 VanDerWaalsContact O-N 3.12Å; V166-L168 HydrophobicContact CG1-CD1 4.34Å; V166-L168 HydrophobicContact CG1-CG 4.21Å; L168-C172 HydrophobicContact CB-CB 4.34Å; L168-C172 HydrophobicContact CD2-CB 4.06Å; L168-L173 HydrophobicContact CB-CD2 4.21Å; L168-L173 HydrophobicContact CD1-CD2 4.35Å; L168-I179 HydrophobicContact CD2-CG2 4.44Å; L168-V180 HydrophobicContact CD1-CB 4.38Å; L168-V180 HydrophobicContact CD1-CG1 3.82Å; L168-V180 HydrophobicContact CD1-CG2 4.03Å; L168-V180 HydrophobicContact CD2-CG2 4.27Å; L168-E183 HydrophobicContact CD2-CB 4.45Å; L168-E183 HydrophobicContact CD2-CG 3.75Å
169A96.6Very high94.4Very high6 Ų636.6 Ų36.65%0.0521%0.206CC..  trans-54155.6167.200000111.1M150 G152 T171 C172M150-A169 WeakPolarHBondContact O-CA 3.38Å; M150-A169 VanDerWaalsContact O-CB 3.3Å; M150-A169 WeakPolarHBondContact O-CB 3.32Å; G152-A169 PolarHBondContact O-N 2.72Å; G152-A169 VanDerWaalsContact O-N 3.09Å; A169-T171 PolarHBondContact O-N 3.48Å; A169-C172 PolarHBondContact N-SG 2.58Å; A169-C172 WeakPolarHBondContact O-CA 3.48Å; A169-C172 WeakPolarHBondContact O-CB 3.19Å; A169-C172 PolarHBondContact O-N 2.83Å; A169-C172 PolarHBondContact O-SG 3.11Å; A169-C172 VanDerWaalsContact O-SG 3.41Å
170P94.1Very high94.6Very high73 Ų7335 Ų3547%0.47420%0.2SC..Hα-helixtrans-52.8-32.8175.2-28.736000113.8C172 L173 Q174P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.15Å; P170-L173 PolarHBondContact O-N 3.08Å; P170-Q174 WeakPolarHBondContact O-CG 3.34Å; P170-Q174 PolarHBondContact O-N 3.4Å
171T93.6Very high95Very high53 Ų5333.6 Ų33.633%0.32519%0.19SC..Hα-helixtrans-61.9-27.6173.845.40000114.2A169 L173A169-T171 PolarHBondContact O-N 3.48Å; T171-L173 VanDerWaalsContact C-N 3.25Å; T171-L173 PolarHBondContact O-N 2.99Å
172C95.6Very high95.5Very high0 Ų032.1 Ų32.10%018%0.175CC..Hα-helixtrans-70.1-24173.7-50.30000112.2G152 C153 L168 A169 P170 I179G152-C172 VanDerWaalsContact C-SG 3.59Å; G152-C172 PolarHBondContact O-SG 2.87Å; C153-C172 WeakPolarHBondContact CA-SG 3.32Å; C153-C172 HydrophobicContact CB-CB 3.98Å; C153-C172 WeakPolarHBondContact CB-SG 3.38Å; C153-C172 WeakPolarHBondContact SG-CB 3.37Å; C153-C172 CovalentContact SG-SG 2.03Å; C153-C172 PolarHBondContact SG-SG 3.47Å; L168-C172 HydrophobicContact CB-CB 4.34Å; L168-C172 HydrophobicContact CD2-CB 4.06Å; A169-C172 PolarHBondContact N-SG 2.58Å; A169-C172 WeakPolarHBondContact O-CA 3.48Å; A169-C172 WeakPolarHBondContact O-CB 3.19Å; A169-C172 PolarHBondContact O-N 2.83Å; A169-C172 PolarHBondContact O-SG 3.11Å; A169-C172 VanDerWaalsContact O-SG 3.41Å; P170-C172 VanDerWaalsContact C-N 3.26Å; P170-C172 PolarHBondContact O-N 3.15Å; C172-I179 HydrophobicContact CB-CG2 3.85Å; C172-I179 WeakPolarHBondContact O-CB 3.39Å
173L95.8Very high95.7Very high9 Ų930.9 Ų30.95%0.04716%0.162CC..Hα-helixtrans-100.1-21.2-173-52.8179.2000112.7Y112 S116 V119 I120 L168 P170 T171 K175 G176 V180Y112-L173 HydrophobicContact CD1-CD1 4.05Å; Y112-L173 HydrophobicContact CE1-CD1 3.85Å; S116-L173 VanDerWaalsContact CB-CD1 3.49Å; V119-L173 HydrophobicContact CG1-CB 4.37Å; V119-L173 HydrophobicContact CG1-CD2 4.09Å; I120-L173 HydrophobicContact CD1-CD1 4.01Å; I120-L173 HydrophobicContact CD1-CD2 4.38Å; I120-L173 HydrophobicContact CG1-CD1 4.28Å; I120-L173 HydrophobicContact CG1-CD2 3.89Å; L168-L173 HydrophobicContact CB-CD2 4.21Å; L168-L173 HydrophobicContact CD1-CD2 4.35Å; P170-L173 PolarHBondContact O-N 3.08Å; T171-L173 VanDerWaalsContact C-N 3.25Å; T171-L173 PolarHBondContact O-N 2.99Å; L173-K175 PolarHBondContact O-N 2.86Å; L173-K175 VanDerWaalsContact O-N 3.07Å; L173-G176 PolarHBondContact O-N 3.38Å; L173-V180 HydrophobicContact CD2-CG2 3.38Å
174Q90.6Very high95.9Very high151 Ų15125.8 Ų25.871%0.70614%0.137SC*.THydrogen-bonded Turntrans-54.1-27.7-179.5-79.4172.52.800115.1P170P170-Q174 WeakPolarHBondContact O-CG 3.34Å; P170-Q174 PolarHBondContact O-N 3.4Å
175K84.1Confident96Very high112 Ų11225.5 Ų25.549%0.48714%0.136SC..THydrogen-bonded Turntrans-99.112.2179.9-66.1-179.3177.6176.10113.3K53 L173K53-K175 PolarHBondContact O-NZ 2.83Å; L173-K175 PolarHBondContact O-N 2.86Å; L173-K175 VanDerWaalsContact O-N 3.07Å
176G91.8Very high96Very high26 Ų2623.8 Ų23.827%0.26813%0.125SC..  trans81.2-164.5-174.600000113.1L173 G178L173-G176 PolarHBondContact O-N 3.38Å; G176-G178 VanDerWaalsContact C-N 3.32Å; G176-G178 PolarHBondContact O-N 3.44Å
177R95.6Very high96Very high62 Ų6223.7 Ų23.723%0.23413%0.125CC..THydrogen-bonded Turntrans-73.2-9.2-162.267172.2-179.2-109.97.2117V119 E122 A123 E126 I179 V180 L181V119-R177 HydrophobicContact CG1-CB 4.23Å; E122-R177 IonicContact OE2-NH1 3.59Å; E122-R177 PolarHBondContact OE2-NH1 3.14Å; E122-R177 VanDerWaalsContact OE2-NH1 3.12Å; A123-R177 HydrophobicContact CB-CB 3.99Å; E126-R177 IonicContact OE2-CZ 3.61Å; E126-R177 IonicContact OE2-NE 2.8Å; E126-R177 IonicContact OE2-NH2 3.87Å; E126-R177 PolarHBondContact OE2-NH2 3.37Å; R177-I179 PolarHBondContact O-N 2.77Å; R177-V180 WeakPolarHBondContact O-CA 3.41Å; R177-V180 WeakPolarHBondContact O-CB 3.34Å; R177-V180 PolarHBondContact O-N 3.17Å; R177-L181 HydrophobicContact CG-CD1 3.95Å; R177-L181 HydrophobicContact CG-CG 4.41Å; R177-L181 WeakPolarHBondContact O-CG 3.49Å; R177-L181 PolarHBondContact O-N 3.36Å
178G97.1Very high96Very high1 Ų123.7 Ų23.71%0.0113%0.125CC..Hα-helixtrans-62.6-35.8-170.500000115.3G176 L181 H182 V235 R264G176-G178 VanDerWaalsContact C-N 3.32Å; G176-G178 PolarHBondContact O-N 3.44Å; G178-L181 PolarHBondContact O-N 2.86Å; G178-H182 PolarHBondContact O-N 3.32Å; G178-H182 VanDerWaalsContact O-N 3.14Å; G178-V235 WeakPolarHBondContact O-CG2 3.5Å; G178-R264 WeakPolarHBondContact CA-O 3.35Å
179I97.7Very high95.8Very high3 Ų324.2 Ų24.22%0.01513%0.13CC..Hα-helixtrans-70.9-37.9173.3-65.8174000110.5I55 I58 C153 L168 C172 R177 L181 H182 E183 R264I55-I179 HydrophobicContact CD1-CB 4.48Å; I55-I179 HydrophobicContact CD1-CG1 4.28Å; I55-I179 HydrophobicContact CD1-CG2 3.92Å; I55-I179 HydrophobicContact CG1-CD1 4.26Å; I55-I179 HydrophobicContact CG1-CG1 4.04Å; I55-I179 HydrophobicContact CG1-CG2 4Å; I58-I179 HydrophobicContact CD1-CD1 3.86Å; C153-I179 HydrophobicContact CB-CG2 3.76Å; L168-I179 HydrophobicContact CD2-CG2 4.44Å; C172-I179 HydrophobicContact CB-CG2 3.85Å; C172-I179 WeakPolarHBondContact O-CB 3.39Å; R177-I179 PolarHBondContact O-N 2.77Å; I179-L181 VanDerWaalsContact C-N 3.33Å; I179-L181 PolarHBondContact O-N 3.19Å; I179-H182 WeakPolarHBondContact O-CB 3.24Å; I179-H182 PolarHBondContact O-N 3.05Å; I179-H182 VanDerWaalsContact O-N 3.17Å; I179-E183 PolarHBondContact O-N 3.49Å; I179-R264 HydrophobicContact CG1-CB 4.29Å; I179-R264 HydrophobicContact CG1-CG 4.21Å
180V98.6Very high95.7Very high1 Ų124.2 Ų24.21%0.00613%0.129CC..Hα-helixtrans-62-42.8174.3-1690000111V119 I120 A123 L168 L173 R177 H182 E183 L184V119-V180 HydrophobicContact CG1-CG2 4.22Å; I120-V180 HydrophobicContact CG1-CG1 4.49Å; I120-V180 HydrophobicContact CG1-CG2 4.37Å; A123-V180 HydrophobicContact CB-CB 3.57Å; A123-V180 HydrophobicContact CB-CG1 3.38Å; L168-V180 HydrophobicContact CD1-CB 4.38Å; L168-V180 HydrophobicContact CD1-CG1 3.82Å; L168-V180 HydrophobicContact CD1-CG2 4.03Å; L168-V180 HydrophobicContact CD2-CG2 4.27Å; L173-V180 HydrophobicContact CD2-CG2 3.38Å; R177-V180 WeakPolarHBondContact O-CA 3.41Å; R177-V180 WeakPolarHBondContact O-CB 3.34Å; R177-V180 PolarHBondContact O-N 3.17Å; V180-H182 VanDerWaalsContact C-N 3.27Å; V180-H182 PolarHBondContact O-N 2.91Å; V180-E183 PolarHBondContact O-N 2.89Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.47Å; V180-L184 WeakPolarHBondContact O-CG 3.48Å; V180-L184 PolarHBondContact O-N 2.97Å
181L98.7Very high95.8Very high0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-61.1-35.6175.5-67170.8000112.5A123 E126 F127 R177 G178 I179 M185 N266 L267A123-L181 HydrophobicContact CB-CD2 3.95Å; A123-L181 HydrophobicContact CB-CG 4.18Å; A123-L181 WeakPolarHBondContact O-CD2 3.39Å; E126-L181 HydrophobicContact CB-CD2 3.87Å; E126-L181 HydrophobicContact CG-CD1 4.4Å; E126-L181 HydrophobicContact CG-CD2 3.98Å; F127-L181 HydrophobicContact CD2-CD2 4.01Å; F127-L181 HydrophobicContact CE2-CD2 3.57Å; F127-L181 HydrophobicContact CZ-CD2 4.32Å; R177-L181 HydrophobicContact CG-CD1 3.95Å; R177-L181 HydrophobicContact CG-CG 4.41Å; R177-L181 WeakPolarHBondContact O-CG 3.49Å; R177-L181 PolarHBondContact O-N 3.36Å; G178-L181 PolarHBondContact O-N 2.86Å; I179-L181 VanDerWaalsContact C-N 3.33Å; I179-L181 PolarHBondContact O-N 3.19Å; L181-M185 WeakPolarHBondContact O-CG 3.45Å; L181-M185 PolarHBondContact O-N 2.88Å; L181-N266 VanDerWaalsContact CD1-OD1 3.22Å; L181-N266 WeakPolarHBondContact CD1-OD1 3.4Å; L181-L267 HydrophobicContact CB-CD2 4.15Å; L181-L267 HydrophobicContact CB-CG 4.43Å; L181-L267 HydrophobicContact CD1-CG 4.33Å; L181-L267 HydrophobicContact CD2-CD1 4.47Å; L181-L267 HydrophobicContact CD2-CG 4.23Å
182H98.6Very high95.9Very high0 Ų020.4 Ų20.40%010%0.099CC..Hα-helixtrans-65-51.7174.7-179.6105.1000111.9I55 D77 G178 I179 V180 L184 M185 H186 H192 V235 M236I55-H182 HydrophobicContact CD1-CB 4.1Å; I55-H182 WeakPolarHBondContact CD1-CD2 3.3Å; D77-H182 IonicContact OD2-NE2 3.41Å; G178-H182 PolarHBondContact O-N 3.32Å; G178-H182 VanDerWaalsContact O-N 3.14Å; I179-H182 WeakPolarHBondContact O-CB 3.24Å; I179-H182 PolarHBondContact O-N 3.05Å; I179-H182 VanDerWaalsContact O-N 3.17Å; V180-H182 VanDerWaalsContact C-N 3.27Å; V180-H182 PolarHBondContact O-N 2.91Å; H182-L184 VanDerWaalsContact C-N 3.27Å; H182-L184 PolarHBondContact O-N 3.26Å; H182-M185 WeakPolarHBondContact O-CB 3.41Å; H182-M185 PolarHBondContact O-N 3.28Å; H182-M185 VanDerWaalsContact O-N 3.08Å; H182-H186 AromaticContact CD2-CD2 3.8Å; H182-H186 AromaticContact CD2-NE2 3.74Å; H182-H186 AromaticContact NE2-CD2 3.76Å; H182-H186 AromaticContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact NE2-NE2 3.33Å; H182-H186 VanDerWaalsContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact O-N 2.94Å; H182-H186 VanDerWaalsContact O-N 3.12Å; H182-H192 AromaticContact CE1-CD2 3.76Å; H182-H192 AromaticContact CE1-NE2 3.41Å; H182-H192 PolarHBondContact CE1-NE2 3.14Å; H182-H192 AromaticContact NE2-NE2 3.5Å; H182-V235 HydrophobicContact CB-CG2 4.28Å; H182-V235 PolarHBondContact ND1-O 3.12Å; H182-M236 HydrophobicContact CB-SD 4.38Å
183E98.6Very high96Very high0 Ų020.7 Ų20.70%010%0.1CC..Hα-helixtrans-61.2-36.3176.6-60.6-53.1154.700112.4C153 F154 S155 V166 L168 I179 V180 H186 V187C153-E183 WeakPolarHBondContact CB-OE1 3.46Å; F154-E183 VanDerWaalsContact CA-OE2 3.25Å; F154-E183 WeakPolarHBondContact CA-OE2 3.23Å; F154-E183 PolarHBondContact N-OE1 2.99Å; S155-E183 VanDerWaalsContact CB-OE2 3.3Å; S155-E183 WeakPolarHBondContact CB-OE2 3.3Å; S155-E183 PolarHBondContact N-OE2 2.68Å; S155-E183 VanDerWaalsContact N-OE2 3.1Å; S155-E183 PolarHBondContact OG-O 3.15Å; S155-E183 PolarHBondContact OG-OE2 3.35Å; V166-E183 HydrophobicContact CG1-CB 3.89Å; V166-E183 HydrophobicContact CG1-CG 4.46Å; L168-E183 HydrophobicContact CD2-CB 4.45Å; L168-E183 HydrophobicContact CD2-CG 3.75Å; I179-E183 PolarHBondContact O-N 3.49Å; V180-E183 PolarHBondContact O-N 2.89Å; E183-H186 WeakPolarHBondContact O-CB 3.23Å; E183-H186 PolarHBondContact O-N 3.3Å; E183-H186 IonicContact OE2-CD2 2.66Å; E183-V187 WeakPolarHBondContact O-CG2 3.39Å; E183-V187 PolarHBondContact O-N 3.09Å
184L98.7Very high96.1Very high1 Ų120.2 Ų20.21%0.00510%0.098CC..Hα-helixtrans-70.8-30.2176.4-67.2173000112.5A123 L124 F127 F135 I145 V180 H182 V187 L188A123-L184 HydrophobicContact CB-CD1 4.06Å; L124-L184 HydrophobicContact CD2-CD1 3.66Å; L124-L184 HydrophobicContact CD2-CD2 4.05Å; F127-L184 HydrophobicContact CD2-CB 4.34Å; F127-L184 HydrophobicContact CD2-CD1 4.16Å; F127-L184 HydrophobicContact CE2-CB 3.46Å; F127-L184 VanDerWaalsContact CE2-CB 3.46Å; F127-L184 HydrophobicContact CE2-CD1 3.82Å; F127-L184 HydrophobicContact CE2-CG 4.32Å; F127-L184 HydrophobicContact CZ-CB 3.84Å; F135-L184 HydrophobicContact CE1-CD2 3.81Å; F135-L184 HydrophobicContact CE2-CD1 4.49Å; F135-L184 HydrophobicContact CZ-CB 4.36Å; F135-L184 HydrophobicContact CZ-CD1 4.24Å; F135-L184 HydrophobicContact CZ-CD2 3.8Å; F135-L184 HydrophobicContact CZ-CG 4.35Å; I145-L184 HydrophobicContact CD1-CD2 4.01Å; V180-L184 HydrophobicContact CG1-CD1 3.9Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CB 3.47Å; V180-L184 WeakPolarHBondContact O-CG 3.48Å; V180-L184 PolarHBondContact O-N 2.97Å; H182-L184 VanDerWaalsContact C-N 3.27Å; H182-L184 PolarHBondContact O-N 3.26Å; L184-V187 WeakPolarHBondContact O-CB 3.34Å; L184-V187 PolarHBondContact O-N 3.4Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.3Å; L184-L188 PolarHBondContact O-N 2.89Å
185M98.3Very high96.3Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-65-40.4169.2-81-72.6-75.200111.6F127 L181 H182 L188 G189 F190 V235 M236 L267 D271 V275F127-M185 HydrophobicContact CE1-CG 4.31Å; F127-M185 HydrophobicContact CE1-SD 4.05Å; F127-M185 HydrophobicContact CZ-CG 4.03Å; F127-M185 HydrophobicContact CZ-SD 4.38Å; L181-M185 WeakPolarHBondContact O-CG 3.45Å; L181-M185 PolarHBondContact O-N 2.88Å; H182-M185 WeakPolarHBondContact O-CB 3.41Å; H182-M185 PolarHBondContact O-N 3.28Å; H182-M185 VanDerWaalsContact O-N 3.08Å; M185-L188 PolarHBondContact O-N 3.29Å; M185-G189 PolarHBondContact O-N 2.76Å; M185-F190 HydrophobicContact CB-CB 4.42Å; M185-F190 HydrophobicContact CB-CD2 4.49Å; M185-F190 HydrophobicContact CE-CB 3.96Å; M185-F190 HydrophobicContact CE-CD1 4.33Å; M185-F190 HydrophobicContact CE-CD2 3.54Å; M185-F190 HydrophobicContact CE-CE2 4.19Å; M185-F190 HydrophobicContact CE-CG 3.64Å; M185-F190 WeakPolarHBondContact O-CB 3.47Å; M185-F190 WeakPolarHBondContact O-CD2 3.31Å; M185-F190 PolarHBondContact O-N 2.7Å; M185-F190 HydrophobicContact SD-CD2 3.75Å; M185-F190 HydrophobicContact SD-CE2 4.21Å; M185-F190 HydrophobicContact SD-CG 4.43Å; M185-V235 HydrophobicContact CG-CG1 4.26Å; M185-M236 HydrophobicContact CB-CE 3.99Å; M185-M236 HydrophobicContact CB-CG 4.19Å; M185-M236 HydrophobicContact CB-SD 3.29Å; M185-M236 WeakPolarHBondContact CB-SD 3.26Å; M185-M236 HydrophobicContact CE-CG 3.95Å; M185-M236 HydrophobicContact CG-CG 4.45Å; M185-M236 HydrophobicContact CG-SD 3.84Å; M185-L267 HydrophobicContact CG-CD2 3.76Å; M185-L267 HydrophobicContact SD-CD2 4.09Å; M185-D271 HydrophobicContact CE-CB 3.79Å; M185-D271 HydrophobicContact SD-CB 4.36Å; M185-V275 HydrophobicContact SD-CG2 3.67Å
186H97.8Very high96.8Very high0 Ų08 Ų80%04%0.043CC..Hα-helixtrans-60.1-49.3170.6-76-41.3000111.6D77 S155 V157 G158 H182 E183 L188 G189 F190 H192 M236D77-H186 IonicContact OD1-NE2 3.99Å; D77-H186 PolarHBondContact OD1-NE2 2.96Å; S155-H186 WeakPolarHBondContact OG-CB 3.3Å; V157-H186 CarbonylContact C-O 3.49Å; V157-H186 VanDerWaalsContact CA-O 3.31Å; V157-H186 WeakPolarHBondContact CA-O 3.39Å; V157-H186 HydrophobicContact CG2-CB 4.33Å; G158-H186 PolarHBondContact N-O 3.47Å; H182-H186 AromaticContact CD2-CD2 3.8Å; H182-H186 AromaticContact CD2-NE2 3.74Å; H182-H186 AromaticContact NE2-CD2 3.76Å; H182-H186 AromaticContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact NE2-NE2 3.33Å; H182-H186 VanDerWaalsContact NE2-NE2 3.2Å; H182-H186 PolarHBondContact O-N 2.94Å; H182-H186 VanDerWaalsContact O-N 3.12Å; E183-H186 WeakPolarHBondContact O-CB 3.23Å; E183-H186 PolarHBondContact O-N 3.3Å; E183-H186 IonicContact OE2-CD2 2.66Å; H186-L188 PolarHBondContact O-N 3.22Å; H186-L188 VanDerWaalsContact O-N 3.14Å; H186-G189 WeakPolarHBondContact O-CA 3.31Å; H186-G189 PolarHBondContact O-N 3.36Å; H186-F190 PolarHBondContact ND1-O 2.78Å; H186-H192 AromaticContact CE1-CE1 3.88Å; H186-H192 AromaticContact NE2-CE1 3.77Å; H186-H192 AromaticContact NE2-NE2 3.91Å; H186-M236 WeakPolarHBondContact CE1-CE 3.31Å; H186-M236 WeakPolarHBondContact ND1-CE 3.45Å; H186-M236 WeakPolarHBondContact NE2-CE 3.3Å
187V98.1Very high96.9Very high0 Ų09 Ų90%05%0.048CC..Hα-helixtrans-51.8-38.4173.9167.30000112.1W94 V104 I145 G158 V166 E183 L184 G189W94-V187 HydrophobicContact CZ2-CG1 4.13Å; W94-V187 PolarHBondContact NE1-O 3.49Å; V104-V187 HydrophobicContact CG1-CG1 4.05Å; I145-V187 HydrophobicContact CG2-CG1 3.7Å; I145-V187 HydrophobicContact CG2-CG2 4.14Å; G158-V187 CarbonylContact C-O 3.59Å; G158-V187 WeakPolarHBondContact CA-O 3.49Å; V166-V187 HydrophobicContact CG2-CG2 3.5Å; E183-V187 WeakPolarHBondContact O-CG2 3.39Å; E183-V187 PolarHBondContact O-N 3.09Å; L184-V187 WeakPolarHBondContact O-CB 3.34Å; L184-V187 PolarHBondContact O-N 3.4Å; V187-G189 VanDerWaalsContact C-N 3.29Å; V187-G189 PolarHBondContact O-N 3.03Å
188L97.2Very high96.9Very high0 Ų07.7 Ų7.70%05%0.046CC..THydrogen-bonded Turntrans-76.9-7.4178-70.6175.1000114.8V104 F127 V133 L184 M185 H186 F190 V275 L278 Y279V104-L188 HydrophobicContact CG2-CD2 4.1Å; F127-L188 HydrophobicContact CD1-CD1 3.7Å; F127-L188 HydrophobicContact CE1-CD1 3.49Å; F127-L188 VanDerWaalsContact CE1-CD1 3.49Å; F127-L188 HydrophobicContact CZ-CD1 4.2Å; V133-L188 HydrophobicContact CG1-CD2 3.92Å; V133-L188 HydrophobicContact CG2-CD1 4.09Å; V133-L188 HydrophobicContact CG2-CD2 3.77Å; L184-L188 VanDerWaalsContact O-CG 3.29Å; L184-L188 WeakPolarHBondContact O-CG 3.3Å; L184-L188 PolarHBondContact O-N 2.89Å; M185-L188 PolarHBondContact O-N 3.29Å; H186-L188 PolarHBondContact O-N 3.22Å; H186-L188 VanDerWaalsContact O-N 3.14Å; L188-F190 HydrophobicContact CB-CD2 4.16Å; L188-F190 HydrophobicContact CB-CE2 4.13Å; L188-V275 HydrophobicContact CD1-CG1 4.17Å; L188-V275 HydrophobicContact CD1-CG2 4.12Å; L188-L278 WeakPolarHBondContact O-CD2 3.47Å; L188-Y279 HydrophobicContact CB-CE2 4.21Å; L188-Y279 HydrophobicContact CD2-CE2 3.99Å; L188-Y279 PolarHBondContact O-OH 2.93Å
189G94.8Very high96.8Very high10 Ų108 Ų810%0.1035%0.047CC..THydrogen-bonded Turntrans10717.4173.600000115.3M185 H186 V187 N225M185-G189 PolarHBondContact O-N 2.76Å; H186-G189 WeakPolarHBondContact O-CA 3.31Å; H186-G189 PolarHBondContact O-N 3.36Å; V187-G189 VanDerWaalsContact C-N 3.29Å; V187-G189 PolarHBondContact O-N 3.03Å; G189-N225 PolarHBondContact O-ND2 3.18Å
190F95.6Very high96.8Very high6 Ų611.8 Ų11.83%0.0267%0.067CC..  trans-94145.1177.8-62.6-73.2000112.3M185 H186 L188 N225 L227 R274 V275 L278M185-F190 HydrophobicContact CB-CB 4.42Å; M185-F190 HydrophobicContact CB-CD2 4.49Å; M185-F190 HydrophobicContact CE-CB 3.96Å; M185-F190 HydrophobicContact CE-CD1 4.33Å; M185-F190 HydrophobicContact CE-CD2 3.54Å; M185-F190 HydrophobicContact CE-CE2 4.19Å; M185-F190 HydrophobicContact CE-CG 3.64Å; M185-F190 WeakPolarHBondContact O-CB 3.47Å; M185-F190 WeakPolarHBondContact O-CD2 3.31Å; M185-F190 PolarHBondContact O-N 2.7Å; M185-F190 HydrophobicContact SD-CD2 3.75Å; M185-F190 HydrophobicContact SD-CE2 4.21Å; M185-F190 HydrophobicContact SD-CG 4.43Å; H186-F190 PolarHBondContact ND1-O 2.78Å; L188-F190 HydrophobicContact CB-CD2 4.16Å; L188-F190 HydrophobicContact CB-CE2 4.13Å; F190-N225 HydrophobicContact CD1-CB 4.34Å; F190-N225 HydrophobicContact CE1-CB 4.39Å; F190-L227 HydrophobicContact CE1-CD1 4.47Å; F190-R274 HydrophobicContact CD1-CB 4.32Å; F190-R274 HydrophobicContact CE1-CB 3.6Å; F190-R274 HydrophobicContact CZ-CB 3.85Å; F190-V275 HydrophobicContact CE2-CB 4.43Å; F190-V275 HydrophobicContact CE2-CG2 3.71Å; F190-V275 HydrophobicContact CZ-CG2 4.3Å; F190-L278 HydrophobicContact CE1-CB 4.38Å; F190-L278 HydrophobicContact CE1-CD2 3.93Å; F190-L278 HydrophobicContact CE2-CD2 3.82Å; F190-L278 HydrophobicContact CZ-CB 3.77Å; F190-L278 HydrophobicContact CZ-CD2 3.4Å; F190-L278 VanDerWaalsContact CZ-CD2 3.4Å; F190-L278 HydrophobicContact CZ-CG 4.16Å
191W95.3Very high96.7Very high46 Ų4619.9 Ų19.917%0.17410%0.097CC..  trans-104.5173.3171.8-67.383.2000109I74 I78 V157 S223I74-W191 HydrophobicContact CD1-CH2 3.87Å; I74-W191 HydrophobicContact CD1-CZ3 3.78Å; I74-W191 HydrophobicContact CG1-CZ3 4.44Å; I78-W191 HydrophobicContact CD1-CD2 4.3Å; I78-W191 HydrophobicContact CD1-CE3 3.46Å; I78-W191 VanDerWaalsContact CD1-CE3 3.46Å; I78-W191 HydrophobicContact CD1-CZ3 3.71Å; I78-W191 HydrophobicContact CG2-CH2 4.42Å; I78-W191 HydrophobicContact CG2-CZ3 4.24Å; V157-W191 HydrophobicContact CB-CZ2 4.28Å; V157-W191 HydrophobicContact CG1-CZ2 4.3Å; V157-W191 HydrophobicContact CG2-CD2 4.26Å; V157-W191 HydrophobicContact CG2-CZ2 4.35Å; W191-S223 VanDerWaalsContact CD1-O 3.23Å; W191-S223 PolarHBondContact NE1-OG 3.07Å; W191-S223 VanDerWaalsContact NE1-OG 3.09Å
192H96.6Very high96.6Very high1 Ų122.4 Ų22.41%0.00511%0.107CC..  trans-63.5147177.5-70.9104.5000114.5E75 D77 H182 H186 H194 A195 M236 Y238E75-H192 WeakPolarHBondContact CB-ND1 3.5Å; E75-H192 PolarHBondContact O-CE1 2.82Å; E75-H192 VanDerWaalsContact O-CE1 3.29Å; E75-H192 WeakPolarHBondContact OE2-CB 3.25Å; E75-H192 IonicContact OE2-CE1 2.94Å; E75-H192 IonicContact OE2-CG 2.92Å; E75-H192 IonicContact OE2-ND1 3.12Å; E75-H192 PolarHBondContact OE2-ND1 3.17Å; D77-H192 IonicContact OD1-CE1 3.91Å; D77-H192 PolarHBondContact OD1-CE1 2.94Å; D77-H192 IonicContact OD1-NE2 3.35Å; D77-H192 IonicContact OD2-CE1 2.82Å; D77-H192 IonicContact OD2-NE2 2.68Å; H182-H192 AromaticContact CE1-CD2 3.76Å; H182-H192 AromaticContact CE1-NE2 3.41Å; H182-H192 PolarHBondContact CE1-NE2 3.14Å; H182-H192 AromaticContact NE2-NE2 3.5Å; H186-H192 AromaticContact CE1-CE1 3.88Å; H186-H192 AromaticContact NE2-CE1 3.77Å; H186-H192 AromaticContact NE2-NE2 3.91Å; H192-H194 WeakPolarHBondContact CB-CE1 3.27Å; H192-H194 WeakPolarHBondContact CB-ND1 3.5Å; H192-H194 AromaticContact CD2-CE1 3.77Å; H192-H194 AromaticContact CG-CE1 3.43Å; H192-H194 VanDerWaalsContact CG-CE1 3.43Å; H192-H194 AromaticContact CG-ND1 3.93Å; H192-A195 HydrophobicContact CB-CB 4.02Å; H192-A195 PolarHBondContact O-N 3.02Å; H192-M236 CarbonylContact C-O 3.52Å; H192-M236 VanDerWaalsContact CA-O 3.31Å; H192-M236 WeakPolarHBondContact CA-O 3.29Å; H192-M236 PolarHBondContact CD2-O 3.36Å; H192-M236 VanDerWaalsContact CD2-O 3.27Å; H192-Y238 AromaticContact CD2-CD1 3.81Å; H192-Y238 AromaticContact CD2-CE1 3.69Å; H192-Y238 AromaticContact CE1-CE1 3.71Å; H192-Y238 AromaticContact NE2-CD1 3.82Å; H192-Y238 AromaticContact NE2-CE1 3.3Å; H192-Y238 VanDerWaalsContact NE2-CE1 3.3Å; H192-Y238 WeakPolarHBondContact NE2-CE1 3.07Å
193E97.3Very high96.6Very high5 Ų522.5 Ų22.52%0.02311%0.108CC..G310 helixtrans-66.5-42.6176.8-167.968.4-177.300111.7A195 R196 Y230 D231 M236 H237 R274E193-A195 PolarHBondContact O-N 3.01Å; E193-R196 WeakPolarHBondContact O-CB 3.17Å; E193-R196 VanDerWaalsContact O-CG 3.23Å; E193-R196 WeakPolarHBondContact O-CG 3.43Å; E193-R196 PolarHBondContact O-N 2.88Å; E193-R196 VanDerWaalsContact O-N 3.12Å; E193-R196 VanDerWaalsContact OE1-CD 3.3Å; E193-R196 WeakPolarHBondContact OE1-CD 3.3Å; E193-R196 IonicContact OE1-NE 3.7Å; E193-R196 IonicContact OE1-NH1 3.12Å; E193-R196 WeakPolarHBondContact OE2-CD 3.35Å; E193-Y230 HydrophobicContact CG-CD1 4.42Å; E193-Y230 HydrophobicContact CG-CD2 4.42Å; E193-Y230 HydrophobicContact CG-CE1 4.06Å; E193-Y230 HydrophobicContact CG-CE2 4.06Å; E193-Y230 VanDerWaalsContact O-CE2 3.3Å; E193-Y230 WeakPolarHBondContact O-CE2 3.28Å; E193-Y230 VanDerWaalsContact OE1-CA 3.25Å; E193-Y230 WeakPolarHBondContact OE1-CA 3.33Å; E193-D231 PolarHBondContact OE1-N 2.99Å; E193-M236 PolarHBondContact N-O 3.09Å; E193-H237 HydrophobicContact CB-CB 3.96Å; E193-R274 IonicContact OE1-CZ 3.6Å; E193-R274 IonicContact OE1-NH1 3.78Å; E193-R274 IonicContact OE1-NH2 3.34Å; E193-R274 PolarHBondContact OE1-NH2 3.47Å; E193-R274 IonicContact OE2-CZ 2.78Å; E193-R274 IonicContact OE2-NH1 3.38Å; E193-R274 PolarHBondContact OE2-NH1 2.83Å; E193-R274 IonicContact OE2-NH2 3.53Å; E193-R274 PolarHBondContact OE2-NH2 2.72Å
194H96.4Very high96.5Very high0 Ų029.4 Ų29.40%013%0.134CC..G310 helixtrans-71.8-4.9176.575-81.1000112.9H192 R199 I203 N217 Y238 I251H192-H194 WeakPolarHBondContact CB-CE1 3.27Å; H192-H194 WeakPolarHBondContact CB-ND1 3.5Å; H192-H194 AromaticContact CD2-CE1 3.77Å; H192-H194 AromaticContact CG-CE1 3.43Å; H192-H194 VanDerWaalsContact CG-CE1 3.43Å; H192-H194 AromaticContact CG-ND1 3.93Å; H194-R199 WeakPolarHBondContact O-CD 3.49Å; H194-R199 PolarHBondContact O-NH1 2.91Å; H194-I203 HydrophobicContact CB-CD1 3.78Å; H194-N217 PolarHBondContact NE2-O 2.81Å; H194-Y238 AromaticContact CD2-CD2 3.9Å; H194-Y238 AromaticContact CE1-CD1 3.31Å; H194-Y238 WeakPolarHBondContact CE1-CD1 3.41Å; H194-Y238 AromaticContact CE1-CD2 3.23Å; H194-Y238 WeakPolarHBondContact CE1-CD2 3.4Å; H194-Y238 AromaticContact CE1-CE1 3.5Å; H194-Y238 VanDerWaalsContact CE1-CE1 3.5Å; H194-Y238 WeakPolarHBondContact CE1-CE1 3.22Å; H194-Y238 AromaticContact CE1-CE2 3.42Å; H194-Y238 VanDerWaalsContact CE1-CE2 3.42Å; H194-Y238 WeakPolarHBondContact CE1-CE2 3.45Å; H194-Y238 AromaticContact CE1-CG 3.17Å; H194-Y238 AromaticContact CE1-CZ 3.53Å; H194-Y238 AromaticContact ND1-CD1 3.71Å; H194-Y238 AromaticContact ND1-CD2 3.76Å; H194-Y238 AromaticContact ND1-CG 3.39Å; H194-Y238 AromaticContact NE2-CD2 3.33Å; H194-Y238 VanDerWaalsContact NE2-CD2 3.33Å; H194-Y238 WeakPolarHBondContact NE2-CD2 3.32Å; H194-Y238 AromaticContact NE2-CE2 3.34Å; H194-Y238 VanDerWaalsContact NE2-CE2 3.34Å; H194-Y238 WeakPolarHBondContact NE2-CE2 3.44Å; H194-Y238 AromaticContact NE2-CG 3.78Å; H194-Y238 AromaticContact NE2-CZ 3.81Å; H194-I251 HydrophobicContact CB-CD1 3.9Å
195A95.5Very high96.5Very high0 Ų030 Ų300%014%0.137CC..G310 helixtrans-96.70.6172.900000112.5H192 E193 K220 S221H192-A195 HydrophobicContact CB-CB 4.02Å; H192-A195 PolarHBondContact O-N 3.02Å; E193-A195 PolarHBondContact O-N 3.01Å; A195-K220 CarbonylContact O-C 3.54Å; A195-K220 VanDerWaalsContact O-CA 3.29Å; A195-K220 WeakPolarHBondContact O-CA 3.29Å; A195-S221 PolarHBondContact O-N 2.93Å
196R95.3Very high96.5Very high7 Ų731.9 Ų31.93%0.02615%0.147CC..  trans-59147.3-179.4-72.7172.358.6127.52.1113.8E193 D198 R199 T228 P229 Y230E193-R196 WeakPolarHBondContact O-CB 3.17Å; E193-R196 VanDerWaalsContact O-CG 3.23Å; E193-R196 WeakPolarHBondContact O-CG 3.43Å; E193-R196 PolarHBondContact O-N 2.88Å; E193-R196 VanDerWaalsContact O-N 3.12Å; E193-R196 VanDerWaalsContact OE1-CD 3.3Å; E193-R196 WeakPolarHBondContact OE1-CD 3.3Å; E193-R196 IonicContact OE1-NE 3.7Å; E193-R196 IonicContact OE1-NH1 3.12Å; E193-R196 WeakPolarHBondContact OE2-CD 3.35Å; R196-D198 VanDerWaalsContact C-N 3.25Å; R196-D198 VanDerWaalsContact CB-OD1 3.26Å; R196-D198 WeakPolarHBondContact CB-OD1 3.48Å; R196-D198 IonicContact CZ-OD1 2.75Å; R196-D198 IonicContact CZ-OD2 3.09Å; R196-D198 IonicContact NE-OD1 3.31Å; R196-D198 PolarHBondContact NE-OD1 2.83Å; R196-D198 IonicContact NE-OD2 3.77Å; R196-D198 IonicContact NH2-OD1 3.69Å; R196-D198 PolarHBondContact NH2-OD1 2.83Å; R196-D198 IonicContact NH2-OD2 3.38Å; R196-D198 PolarHBondContact NH2-OD2 3.19Å; R196-D198 PolarHBondContact O-N 2.8Å; R196-R199 HydrophobicContact CB-CB 4.35Å; R196-R199 VanDerWaalsContact O-CB 3.3Å; R196-R199 WeakPolarHBondContact O-CB 3.33Å; R196-R199 WeakPolarHBondContact O-CG 3.48Å; R196-R199 PolarHBondContact O-N 2.8Å; R196-T228 PolarHBondContact NH1-O 3.24Å; R196-T228 PolarHBondContact NH2-O 3.39Å; R196-P229 PolarHBondContact NH1-O 3.41Å; R196-Y230 HydrophobicContact CB-CE2 4.46Å
197A94.1Very high96.5Very high46 Ų4637 Ų3738%0.3817%0.167SC..THydrogen-bonded Turntrans-58.4-37.7177.300000112.7K220 S224 M226A197-K220 WeakPolarHBondContact O-CD 3.26Å; A197-K220 PolarHBondContact O-NZ 2.85Å; A197-S224 PolarHBondContact N-OG 3Å; A197-M226 HydrophobicContact CB-CE 4.05Å; A197-M226 HydrophobicContact CB-SD 4.02Å
198D94.4Very high96.4Very high35 Ų3543.1 Ų43.119%0.18720%0.2CC..THydrogen-bonded Turntrans-87.5-1.3-17966-11000114.8R196 D200 R201 Y202 M226R196-D198 VanDerWaalsContact C-N 3.25Å; R196-D198 VanDerWaalsContact CB-OD1 3.26Å; R196-D198 WeakPolarHBondContact CB-OD1 3.48Å; R196-D198 IonicContact CZ-OD1 2.75Å; R196-D198 IonicContact CZ-OD2 3.09Å; R196-D198 IonicContact NE-OD1 3.31Å; R196-D198 PolarHBondContact NE-OD1 2.83Å; R196-D198 IonicContact NE-OD2 3.77Å; R196-D198 IonicContact NH2-OD1 3.69Å; R196-D198 PolarHBondContact NH2-OD1 2.83Å; R196-D198 IonicContact NH2-OD2 3.38Å; R196-D198 PolarHBondContact NH2-OD2 3.19Å; R196-D198 PolarHBondContact O-N 2.8Å; D198-D200 PolarHBondContact O-N 3.43Å; D198-R201 WeakPolarHBondContact O-CB 3.48Å; D198-R201 WeakPolarHBondContact O-CG 3.48Å; D198-R201 PolarHBondContact O-N 3.17Å; D198-Y202 HydrophobicContact CB-CE2 4.49Å; D198-M226 HydrophobicContact CB-SD 4.24Å
199R96.1Very high96.4Very high7 Ų744.6 Ų44.63%0.02621%0.206CC..G310 helixtrans-52.5-33.4-170.479.2178-166.7-179.6-5.4115.1H194 R196 R201 Y202 I203 F218 K220 Y230H194-R199 WeakPolarHBondContact O-CD 3.49Å; H194-R199 PolarHBondContact O-NH1 2.91Å; R196-R199 HydrophobicContact CB-CB 4.35Å; R196-R199 VanDerWaalsContact O-CB 3.3Å; R196-R199 WeakPolarHBondContact O-CB 3.33Å; R196-R199 WeakPolarHBondContact O-CG 3.48Å; R196-R199 PolarHBondContact O-N 2.8Å; R199-R201 PolarHBondContact O-N 3.34Å; R199-R201 VanDerWaalsContact O-N 3.09Å; R199-Y202 CarbonylContact O-C 3.56Å; R199-Y202 WeakPolarHBondContact O-CA 3.38Å; R199-Y202 WeakPolarHBondContact O-CB 2.97Å; R199-Y202 PolarHBondContact O-N 3.43Å; R199-I203 HydrophobicContact CB-CD1 4.31Å; R199-I203 HydrophobicContact CB-CG1 4.04Å; R199-I203 HydrophobicContact CG-CD1 4.44Å; R199-I203 HydrophobicContact CG-CG1 4.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.47Å; R199-I203 PolarHBondContact O-N 2.88Å; R199-F218 PolarHBondContact NH1-O 3.28Å; R199-F218 PolarHBondContact NH2-O 3.48Å; R199-K220 HydrophobicContact CG-CD 4.48Å; R199-K220 HydrophobicContact CG-CG 4.49Å; R199-Y230 HydrophobicContact CB-CE2 3.74Å
200D96.8Very high96.4Very high82 Ų8244.3 Ų44.344%0.43920%0.202SC..G310 helixtrans-70.8-10.5-172-57.5-13.2000111D198 Y202 K220 L254D198-D200 PolarHBondContact O-N 3.43Å; D200-Y202 VanDerWaalsContact C-N 3.26Å; D200-K220 WeakPolarHBondContact OD1-CE 3.45Å; D200-K220 IonicContact OD1-NZ 3.81Å; D200-K220 WeakPolarHBondContact OD2-CE 3.48Å; D200-K220 IonicContact OD2-NZ 2.72Å; D200-K220 PolarHBondContact OD2-NZ 3.33Å; D200-L254 WeakPolarHBondContact O-CD1 3.39Å
201R96.4Very high96.2Very high172 Ų17245.7 Ų45.765%0.64921%0.21SC*.G310 helixtrans-76.9-8.3167-59.417864.8-178.50.7113.1D198 R199 W255D198-R201 WeakPolarHBondContact O-CB 3.48Å; D198-R201 WeakPolarHBondContact O-CG 3.48Å; D198-R201 PolarHBondContact O-N 3.17Å; R199-R201 PolarHBondContact O-N 3.34Å; R199-R201 VanDerWaalsContact O-N 3.09Å; R201-W255 PolarHBondContact O-NE1 3.35Å
202Y97.1Very high95.9Very high52 Ų5247.3 Ų47.320%0.20423%0.226CC..THydrogen-bonded Turntrans-130.9-39.9-170.4-58.6-81.4000112.5D198 R199 D200 Y230 Y232 L254D198-Y202 HydrophobicContact CB-CE2 4.49Å; R199-Y202 CarbonylContact O-C 3.56Å; R199-Y202 WeakPolarHBondContact O-CA 3.38Å; R199-Y202 WeakPolarHBondContact O-CB 2.97Å; R199-Y202 PolarHBondContact O-N 3.43Å; D200-Y202 VanDerWaalsContact C-N 3.26Å; Y202-Y230 HydrophobicContact CD1-CD1 4.21Å; Y202-Y230 HydrophobicContact CD1-CG 4.03Å; Y202-Y230 VanDerWaalsContact CD2-CB 3.47Å; Y202-Y230 HydrophobicContact CD2-CD1 4.28Å; Y202-Y230 AromaticContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CE2 4.36Å; Y202-Y230 AromaticContact CD2-CG 3.5Å; Y202-Y230 HydrophobicContact CD2-CG 3.5Å; Y202-Y230 VanDerWaalsContact CE2-CB 3.47Å; Y202-Y230 HydrophobicContact CE2-CD2 4.18Å; Y202-Y230 HydrophobicContact CE2-CG 4.04Å; Y202-Y230 AromaticContact CG-CD1 3.81Å; Y202-Y230 HydrophobicContact CG-CD1 3.81Å; Y202-Y230 AromaticContact CG-CD2 3.92Å; Y202-Y230 HydrophobicContact CG-CD2 3.92Å; Y202-Y230 AromaticContact CG-CG 3.5Å; Y202-Y230 HydrophobicContact CG-CG 3.5Å; Y202-Y230 VanDerWaalsContact CG-CG 3.5Å; Y202-Y232 PolarHBondContact O-OH 3.31Å; Y202-L254 WeakPolarHBondContact O-CB 3.17Å; Y202-L254 PolarHBondContact O-N 3.16Å
203I98Very high95.5Very high2 Ų248.6 Ų48.61%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-125.2150.4178.857.8163.7000112H194 R199 V205 Y230 Y232 I251 T252H194-I203 HydrophobicContact CB-CD1 3.78Å; R199-I203 HydrophobicContact CB-CD1 4.31Å; R199-I203 HydrophobicContact CB-CG1 4.04Å; R199-I203 HydrophobicContact CG-CD1 4.44Å; R199-I203 HydrophobicContact CG-CG1 4.24Å; R199-I203 WeakPolarHBondContact O-CG1 3.47Å; R199-I203 PolarHBondContact O-N 2.88Å; I203-V205 HydrophobicContact CD1-CG2 4.42Å; I203-Y230 WeakPolarHBondContact CD1-OH 3.42Å; I203-Y230 HydrophobicContact CG2-CE1 4.38Å; I203-Y232 HydrophobicContact CG2-CD1 4.44Å; I203-Y232 HydrophobicContact CG2-CE1 3.86Å; I203-I251 HydrophobicContact CB-CG2 3.85Å; I203-I251 HydrophobicContact CD1-CG2 3.72Å; I203-I251 HydrophobicContact CG1-CG2 4.4Å; I203-I251 HydrophobicContact CG2-CG2 3.83Å; I203-T252 WeakPolarHBondContact CA-O 3.48Å
204R97.9Very high95.1Very high146 Ų14648.6 Ų48.655%0.55124%0.24SC*.EExtended strand (participates in β ladder)trans-98.2132.6159.9-175.5-178.1-61.6148.13.6108.5N206 T252 L254R204-N206 VanDerWaalsContact CD-OD1 3.32Å; R204-N206 WeakPolarHBondContact CD-OD1 3.32Å; R204-T252 PolarHBondContact N-O 3.49Å; R204-T252 PolarHBondContact O-N 2.89Å; R204-L254 HydrophobicContact CB-CD2 4Å
205V98.3Very high94.9Very high12 Ų1251.9 Ų51.97%0.07326%0.255CS..EExtended strand (participates in β ladder)trans-92123.3163.9176.10000108.3I203 W207 I210 F218 T250I203-V205 HydrophobicContact CD1-CG2 4.42Å; V205-W207 HydrophobicContact CB-CZ2 4.26Å; V205-W207 HydrophobicContact CG1-CD2 3.8Å; V205-W207 HydrophobicContact CG1-CE3 4.13Å; V205-W207 HydrophobicContact CG1-CG 4.23Å; V205-W207 HydrophobicContact CG1-CH2 4.35Å; V205-W207 HydrophobicContact CG1-CZ2 4.06Å; V205-W207 HydrophobicContact CG1-CZ3 4.38Å; V205-W207 PolarHBondContact O-N 2.92Å; V205-I210 HydrophobicContact CG1-CD1 3.84Å; V205-F218 HydrophobicContact CG1-CB 4.09Å; V205-F218 HydrophobicContact CG1-CD1 3.94Å; V205-F218 HydrophobicContact CG1-CG 4.19Å; V205-F218 HydrophobicContact CG2-CD1 4.3Å; V205-T250 CarbonylContact C-O 3.51Å; V205-T250 WeakPolarHBondContact CA-O 3.15Å
206N97.8Very high94.7Very high40 Ų4056 Ų5621%0.21428%0.276CS..  trans-91.877.5179.6-57.9-35.6000108.7R204 N208 E209 P249 T250 T252R204-N206 VanDerWaalsContact CD-OD1 3.32Å; R204-N206 WeakPolarHBondContact CD-OD1 3.32Å; N206-N208 PolarHBondContact O-N 3.42Å; N206-N208 VanDerWaalsContact O-N 3.07Å; N206-E209 HydrophobicContact CB-CG 4.45Å; N206-E209 PolarHBondContact O-N 2.85Å; N206-P249 WeakPolarHBondContact CB-O 3.46Å; N206-P249 PolarHBondContact ND2-O 3.06Å; N206-T250 PolarHBondContact N-O 2.9Å; N206-T252 PolarHBondContact ND2-OG1 3.41Å
207W97.6Very high94.5Very high108 Ų10855.9 Ų55.941%0.40928%0.276SS..G310 helixtrans-50.4-37.4-171.8-60.497.2000114.3V205 E209 I210 E215 F218 I219V205-W207 HydrophobicContact CB-CZ2 4.26Å; V205-W207 HydrophobicContact CG1-CD2 3.8Å; V205-W207 HydrophobicContact CG1-CE3 4.13Å; V205-W207 HydrophobicContact CG1-CG 4.23Å; V205-W207 HydrophobicContact CG1-CH2 4.35Å; V205-W207 HydrophobicContact CG1-CZ2 4.06Å; V205-W207 HydrophobicContact CG1-CZ3 4.38Å; V205-W207 PolarHBondContact O-N 2.92Å; W207-E209 PolarHBondContact O-N 3.27Å; W207-E209 VanDerWaalsContact O-N 3.16Å; W207-I210 HydrophobicContact CD2-CD1 4.27Å; W207-I210 HydrophobicContact CE3-CD1 3.6Å; W207-I210 HydrophobicContact CZ3-CD1 4.16Å; W207-I210 PolarHBondContact O-N 3.15Å; W207-E215 HydrophobicContact CE3-CB 4.09Å; W207-E215 HydrophobicContact CE3-CG 4.25Å; W207-E215 HydrophobicContact CZ3-CB 4.01Å; W207-F218 HydrophobicContact CH2-CB 3.9Å; W207-F218 WeakPolarHBondContact CH2-O 3.3Å; W207-F218 HydrophobicContact CZ3-CB 3.8Å; W207-I219 HydrophobicContact CH2-CD1 4.11Å; W207-I219 HydrophobicContact CZ3-CD1 4.48Å
208N97.1Very high94.6Very high129 Ų12953.7 Ų53.769%0.6926%0.258SS*.G310 helixtrans-66.2-13.6179.3-63.1-12.9000114.7N206 R245N206-N208 PolarHBondContact O-N 3.42Å; N206-N208 VanDerWaalsContact O-N 3.07Å; N208-R245 PolarHBondContact O-NH2 3.03Å
209E96.6Very high94.6Very high31 Ų3156.2 Ų56.215%0.14527%0.271CS..G310 helixtrans-101.7-2.6177.3-56.3-48.8146.700113.5N206 W207 S244 R245 R246 L248 T250N206-E209 HydrophobicContact CB-CG 4.45Å; N206-E209 PolarHBondContact O-N 2.85Å; W207-E209 PolarHBondContact O-N 3.27Å; W207-E209 VanDerWaalsContact O-N 3.16Å; E209-S244 CarbonylContact O-C 3.59Å; E209-S244 WeakPolarHBondContact O-CA 3.34Å; E209-R245 PolarHBondContact O-N 3.14Å; E209-R246 IonicContact OE1-CZ 2.66Å; E209-R246 IonicContact OE1-NH2 2.78Å; E209-R246 PolarHBondContact OE1-NH2 3.34Å; E209-R246 IonicContact OE2-CZ 3.61Å; E209-R246 VanDerWaalsContact OE2-CZ 3.31Å; E209-R246 IonicContact OE2-NE 2.85Å; E209-R246 PolarHBondContact OE2-NE 2.81Å; E209-R246 IonicContact OE2-NH2 3.49Å; E209-R246 PolarHBondContact OE2-NH2 3.36Å; E209-L248 HydrophobicContact CB-CB 4.35Å; E209-L248 HydrophobicContact CG-CB 3.99Å; E209-T250 HydrophobicContact CB-CG2 4.32Å
210I94.4Very high94.4Very high3 Ų359.5 Ų59.52%0.01529%0.285CS..BIsolated β-bridgetrans-74.3147.6174.7-53.4169.7000109.2V205 W207 F214 E215 F218 F243 T250V205-I210 HydrophobicContact CG1-CD1 3.84Å; W207-I210 HydrophobicContact CD2-CD1 4.27Å; W207-I210 HydrophobicContact CE3-CD1 3.6Å; W207-I210 HydrophobicContact CZ3-CD1 4.16Å; W207-I210 PolarHBondContact O-N 3.15Å; I210-F214 HydrophobicContact CG2-CB 4.03Å; I210-E215 HydrophobicContact CB-CG 4.46Å; I210-E215 HydrophobicContact CD1-CG 4.36Å; I210-E215 HydrophobicContact CG2-CG 4.37Å; I210-F218 HydrophobicContact CD1-CB 4.29Å; I210-F218 HydrophobicContact CD1-CD1 4.35Å; I210-F218 HydrophobicContact CD1-CD2 3.6Å; I210-F218 HydrophobicContact CD1-CE2 3.94Å; I210-F218 HydrophobicContact CD1-CG 3.82Å; I210-F218 HydrophobicContact CD1-CZ 4.46Å; I210-F218 HydrophobicContact CG1-CD2 4.22Å; I210-F218 HydrophobicContact CG1-CE2 4.05Å; I210-F218 HydrophobicContact CG1-CZ 4.35Å; I210-F218 HydrophobicContact CG2-CD2 4.07Å; I210-F218 HydrophobicContact CG2-CE2 3.69Å; I210-F243 CarbonylContact C-O 3.56Å; I210-F243 WeakPolarHBondContact CA-O 3.46Å; I210-F243 HydrophobicContact CG2-CB 4.3Å; I210-T250 HydrophobicContact CB-CG2 4.43Å; I210-T250 HydrophobicContact CG1-CG2 3.83Å
211L91Very high93.7Very high36 Ų3656.2 Ų56.219%0.18827%0.269CS..PPolyproline II helixtrans-58.8128.2166.9-75.9165.1000109.9G213 F214 F243 R245L211-G213 PolarHBondContact O-N 3.41Å; L211-F214 HydrophobicContact CB-CB 4.17Å; L211-F214 HydrophobicContact CB-CD2 3.56Å; L211-F214 HydrophobicContact CB-CE2 4.22Å; L211-F214 HydrophobicContact CB-CG 4.04Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 2.96Å; L211-F243 HydrophobicContact CD1-CB 4.49Å; L211-F243 WeakPolarHBondContact CG-O 3.03Å; L211-F243 PolarHBondContact N-O 3.1Å; L211-R245 HydrophobicContact CD2-CB 4.06Å; L211-R245 HydrophobicContact CD2-CG 4.3Å; L211-R245 HydrophobicContact CG-CB 4.38Å
212P89.8Confident92.5Very high79 Ų7960.2 Ų60.251%0.51328%0.284SS..THydrogen-bonded Turntrans-54.6133.2-179.8-27.135.3000111.9F214P212-F214 VanDerWaalsContact C-N 3.3Å; P212-F214 PolarHBondContact O-N 3.28Å
213G86.9Confident91.1Very high29 Ų2960.5 Ų60.530%0.29929%0.293SS..THydrogen-bonded Turntrans88.4-20.4-174.600000114.2L211 E215L211-G213 PolarHBondContact O-N 3.41Å; G213-E215 VanDerWaalsContact C-N 3.35Å; G213-E215 WeakPolarHBondContact CA-OE2 2.86Å; G213-E215 PolarHBondContact N-OE2 3.25Å
214F90.3Very high89.5Confident4 Ų461 Ų612%0.01830%0.297CS..G310 helixtrans-87.20.1-179.9-68.8-103.6000113.7I63 E65 P68 I210 L211 P212 I216 N217 F243I63-F214 HydrophobicContact CB-CE1 3.88Å; I63-F214 HydrophobicContact CB-CZ 4.29Å; I63-F214 HydrophobicContact CD1-CE1 4.03Å; I63-F214 HydrophobicContact CG2-CD1 4.21Å; I63-F214 HydrophobicContact CG2-CE1 3.43Å; I63-F214 VanDerWaalsContact CG2-CE1 3.43Å; I63-F214 HydrophobicContact CG2-CZ 3.83Å; E65-F214 HydrophobicContact CG-CZ 4.44Å; P68-F214 HydrophobicContact CB-CD2 4.41Å; P68-F214 HydrophobicContact CB-CE2 4.37Å; P68-F214 HydrophobicContact CB-CZ 4.49Å; P68-F214 HydrophobicContact CG-CD2 4.01Å; P68-F214 HydrophobicContact CG-CE2 3.8Å; P68-F214 HydrophobicContact CG-CZ 4.26Å; I210-F214 HydrophobicContact CG2-CB 4.03Å; L211-F214 HydrophobicContact CB-CB 4.17Å; L211-F214 HydrophobicContact CB-CD2 3.56Å; L211-F214 HydrophobicContact CB-CE2 4.22Å; L211-F214 HydrophobicContact CB-CG 4.04Å; L211-F214 WeakPolarHBondContact O-CB 3.48Å; L211-F214 PolarHBondContact O-N 2.96Å; P212-F214 VanDerWaalsContact C-N 3.3Å; P212-F214 PolarHBondContact O-N 3.28Å; F214-I216 PolarHBondContact O-N 3.3Å; F214-I216 VanDerWaalsContact O-N 3.14Å; F214-N217 WeakPolarHBondContact O-CB 3.38Å; F214-N217 PolarHBondContact O-N 2.63Å; F214-N217 PolarHBondContact O-ND2 3.12Å; F214-F243 HydrophobicContact CB-CB 4.09Å; F214-F243 HydrophobicContact CB-CD1 4.27Å; F214-F243 HydrophobicContact CB-CG 4.14Å; F214-F243 AromaticContact CD1-CD1 3.25Å; F214-F243 HydrophobicContact CD1-CD1 3.25Å; F214-F243 AromaticContact CD1-CE1 3.42Å; F214-F243 HydrophobicContact CD1-CE1 3.42Å; F214-F243 VanDerWaalsContact CD1-CE1 3.42Å; F214-F243 AromaticContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CZ 4.21Å; F214-F243 AromaticContact CE1-CD1 3.78Å; F214-F243 HydrophobicContact CE1-CD1 3.78Å; F214-F243 AromaticContact CE1-CE1 3.7Å; F214-F243 HydrophobicContact CE1-CE1 3.7Å; F214-F243 AromaticContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CG 4.37Å
215E92.5Very high88.2Confident69 Ų6956.9 Ų56.932%0.32229%0.286SS..G310 helixtrans-58.1-28.1179.4-59.587168.200112.4W207 I210 G213 N217 F218W207-E215 HydrophobicContact CE3-CB 4.09Å; W207-E215 HydrophobicContact CE3-CG 4.25Å; W207-E215 HydrophobicContact CZ3-CB 4.01Å; I210-E215 HydrophobicContact CB-CG 4.46Å; I210-E215 HydrophobicContact CD1-CG 4.36Å; I210-E215 HydrophobicContact CG2-CG 4.37Å; G213-E215 VanDerWaalsContact C-N 3.35Å; G213-E215 WeakPolarHBondContact CA-OE2 2.86Å; G213-E215 PolarHBondContact N-OE2 3.25Å; E215-N217 PolarHBondContact O-N 2.82Å; E215-F218 PolarHBondContact O-N 3.44Å
216I89.9Confident87.6Confident86 Ų8661 Ų6144%0.44131%0.305SS..G310 helixtrans-56.4-31.8175.9-169.957.2000112.8F214 F218 I219F214-I216 PolarHBondContact O-N 3.3Å; F214-I216 VanDerWaalsContact O-N 3.14Å; I216-F218 PolarHBondContact O-N 2.71Å; I216-I219 HydrophobicContact CD1-CB 4.49Å; I216-I219 HydrophobicContact CD1-CG1 3.96Å; I216-I219 PolarHBondContact O-N 3.03Å
217N92.4Very high87.3Confident5 Ų561.8 Ų61.83%0.02731%0.309CS..G310 helixtrans-72.4-6.8178-56.7-67.1000113.6E75 G76 H194 F214 E215 F243E75-N217 VanDerWaalsContact CA-OD1 3.27Å; E75-N217 WeakPolarHBondContact CA-OD1 3.39Å; E75-N217 PolarHBondContact N-OD1 2.69Å; G76-N217 PolarHBondContact N-OD1 2.96Å; H194-N217 PolarHBondContact NE2-O 2.81Å; F214-N217 WeakPolarHBondContact O-CB 3.38Å; F214-N217 PolarHBondContact O-N 2.63Å; F214-N217 PolarHBondContact O-ND2 3.12Å; E215-N217 PolarHBondContact O-N 2.82Å; N217-F243 HydrophobicContact CB-CD2 4.03Å; N217-F243 HydrophobicContact CB-CE2 3.69Å
218F95.5Very high87.2Confident0 Ų057.2 Ų57.20%029%0.294CS..G310 helixtrans-113.811176-60.3-98.8000112.1R199 V205 W207 I210 E215 I216 Y238 A242 F243 I251R199-F218 PolarHBondContact NH1-O 3.28Å; R199-F218 PolarHBondContact NH2-O 3.48Å; V205-F218 HydrophobicContact CG1-CB 4.09Å; V205-F218 HydrophobicContact CG1-CD1 3.94Å; V205-F218 HydrophobicContact CG1-CG 4.19Å; V205-F218 HydrophobicContact CG2-CD1 4.3Å; W207-F218 HydrophobicContact CH2-CB 3.9Å; W207-F218 WeakPolarHBondContact CH2-O 3.3Å; W207-F218 HydrophobicContact CZ3-CB 3.8Å; I210-F218 HydrophobicContact CD1-CB 4.29Å; I210-F218 HydrophobicContact CD1-CD1 4.35Å; I210-F218 HydrophobicContact CD1-CD2 3.6Å; I210-F218 HydrophobicContact CD1-CE2 3.94Å; I210-F218 HydrophobicContact CD1-CG 3.82Å; I210-F218 HydrophobicContact CD1-CZ 4.46Å; I210-F218 HydrophobicContact CG1-CD2 4.22Å; I210-F218 HydrophobicContact CG1-CE2 4.05Å; I210-F218 HydrophobicContact CG1-CZ 4.35Å; I210-F218 HydrophobicContact CG2-CD2 4.07Å; I210-F218 HydrophobicContact CG2-CE2 3.69Å; E215-F218 PolarHBondContact O-N 3.44Å; I216-F218 PolarHBondContact O-N 2.71Å; F218-Y238 HydrophobicContact CE1-CD2 4.21Å; F218-Y238 HydrophobicContact CZ-CD2 4.37Å; F218-Y238 HydrophobicContact CZ-CE2 4.41Å; F218-A242 HydrophobicContact CZ-CB 4.38Å; F218-A242 WeakPolarHBondContact CZ-O 3.37Å; F218-F243 HydrophobicContact CE2-CB 3.96Å; F218-F243 AromaticContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CG 4.32Å; F218-F243 HydrophobicContact CZ-CB 4.19Å; F218-F243 HydrophobicContact CZ-CD2 4.04Å; F218-I251 HydrophobicContact CD1-CD1 4.44Å; F218-I251 HydrophobicContact CD1-CG1 4.33Å; F218-I251 HydrophobicContact CE1-CD1 4.01Å; F218-I251 HydrophobicContact CE1-CG1 3.88Å
219I93.3Very high87.2Confident89 Ų8955.8 Ų55.846%0.45629%0.291SS..SBendtrans-75.3146.7171.5-61.7-62.4000109.4W207 I216W207-I219 HydrophobicContact CH2-CD1 4.11Å; W207-I219 HydrophobicContact CZ3-CD1 4.48Å; I216-I219 HydrophobicContact CD1-CB 4.49Å; I216-I219 HydrophobicContact CD1-CG1 3.96Å; I216-I219 PolarHBondContact O-N 3.03Å
220K92.8Very high87.2Confident76 Ų7655.2 Ų55.233%0.3329%0.288SS..PPolyproline II helixtrans-73.7130.3-179.3-59-174.9-172.1179.70111.4A195 A197 R199 D200A195-K220 CarbonylContact O-C 3.54Å; A195-K220 VanDerWaalsContact O-CA 3.29Å; A195-K220 WeakPolarHBondContact O-CA 3.29Å; A197-K220 WeakPolarHBondContact O-CD 3.26Å; A197-K220 PolarHBondContact O-NZ 2.85Å; R199-K220 HydrophobicContact CG-CD 4.48Å; R199-K220 HydrophobicContact CG-CG 4.49Å; D200-K220 WeakPolarHBondContact OD1-CE 3.45Å; D200-K220 IonicContact OD1-NZ 3.81Å; D200-K220 WeakPolarHBondContact OD2-CE 3.48Å; D200-K220 IonicContact OD2-NZ 2.72Å; D200-K220 PolarHBondContact OD2-NZ 3.33Å
221S81.8Confident87.3Confident12 Ų1256.3 Ų56.38%0.08429%0.294CS..PPolyproline II helixtrans-72.6127.2172.1-177.40000111.5A195 S223 S224A195-S221 PolarHBondContact O-N 2.93Å; S221-S223 PolarHBondContact O-N 3.05Å; S221-S223 PolarHBondContact OG-N 3.48Å; S221-S223 PolarHBondContact OG-OG 3.19Å; S221-S224 PolarHBondContact O-OG 2.96Å
222R71.1Confident87.6Confident257 Ų25756.3 Ų56.397%0.9729%0.292SS*.THydrogen-bonded Turntrans-67.3-17.6174.1-66-176.1178.4-176.6-0.4112.9
223S68.4Low87.9Confident57 Ų5755.4 Ų55.440%0.39929%0.287SS..THydrogen-bonded Turntrans-112.933.3-172.844.90000113.2W191 S221 N225W191-S223 VanDerWaalsContact CD1-O 3.23Å; W191-S223 PolarHBondContact NE1-OG 3.07Å; W191-S223 VanDerWaalsContact NE1-OG 3.09Å; S221-S223 PolarHBondContact O-N 3.05Å; S221-S223 PolarHBondContact OG-N 3.48Å; S221-S223 PolarHBondContact OG-OG 3.19Å; S223-N225 PolarHBondContact O-N 3.07Å
224S64.8Low88.4Confident14 Ų1454 Ų5410%0.09827%0.273CS..  trans-75.420.5-166.1370000116.8A197 S221 M226A197-S224 PolarHBondContact N-OG 3Å; S221-S224 PolarHBondContact O-OG 2.96Å; S224-M226 VanDerWaalsContact C-N 3.3Å; S224-M226 PolarHBondContact O-N 3.03Å
225N70.6Confident88.8Confident58 Ų5853.9 Ų53.931%0.3127%0.272SS..  trans32.855.6168.9-77.6-25.4000114.8G189 F190 S223 L227G189-N225 PolarHBondContact O-ND2 3.18Å; F190-N225 HydrophobicContact CD1-CB 4.34Å; F190-N225 HydrophobicContact CE1-CB 4.39Å; S223-N225 PolarHBondContact O-N 3.07Å; N225-L227 PolarHBondContact O-N 3.33Å
226M85.5Confident89Confident98 Ų9850.6 Ų50.648%0.48326%0.257SS..  trans-73.652.6-170.7-61.5-176.6-69.700113.3A197 D198 S224 T228A197-M226 HydrophobicContact CB-CE 4.05Å; A197-M226 HydrophobicContact CB-SD 4.02Å; D198-M226 HydrophobicContact CB-SD 4.24Å; S224-M226 VanDerWaalsContact C-N 3.3Å; S224-M226 PolarHBondContact O-N 3.03Å; M226-T228 PolarHBondContact O-N 3.48Å
227L91.4Very high89.4Confident57 Ų5746.5 Ų46.530%0.29824%0.236SC..  trans-75.2-11.2-174.2-60174.6000113.3F190 N225 R274 K277 L278F190-L227 HydrophobicContact CE1-CD1 4.47Å; N225-L227 PolarHBondContact O-N 3.33Å; L227-R274 HydrophobicContact CB-CG 4.44Å; L227-K277 HydrophobicContact CB-CB 4.25Å; L227-K277 HydrophobicContact CB-CD 4.08Å; L227-K277 HydrophobicContact CD1-CB 4.08Å; L227-K277 VanDerWaalsContact O-CD 3.23Å; L227-K277 WeakPolarHBondContact O-CD 3.44Å; L227-K277 PolarHBondContact O-NZ 2.92Å; L227-L278 HydrophobicContact CD1-CB 3.73Å; L227-L278 HydrophobicContact CD1-CD1 3.99Å; L227-L278 HydrophobicContact CD1-CG 4.48Å
228T95.3Very high89.6Confident13 Ų1346.3 Ų46.38%0.0824%0.235CC..SBendtrans-142.1166.3175.462.90000109.9R196 M226 S270 T273 R274R196-T228 PolarHBondContact NH1-O 3.24Å; R196-T228 PolarHBondContact NH2-O 3.39Å; M226-T228 PolarHBondContact O-N 3.48Å; T228-S270 WeakPolarHBondContact CB-OG 3.34Å; T228-S270 PolarHBondContact OG1-OG 2.76Å; T228-T273 HydrophobicContact CG2-CG2 3.62Å; T228-R274 HydrophobicContact CG2-CG 3.88Å; T228-R274 PolarHBondContact OG1-NE 3.15Å; T228-R274 PolarHBondContact OG1-NH2 2.81Å
229P96.1Very high89.6Confident99 Ų9946.7 Ų46.764%0.64324%0.239SC*.  trans-52.8163.9168.6-26.636.6000113.1R196 R274R196-P229 PolarHBondContact NH1-O 3.41Å; P229-R274 PolarHBondContact O-NH2 3.45Å; P229-R274 VanDerWaalsContact O-NH2 3.13Å
230Y96.6Very high89.7Confident19 Ų1945.3 Ų45.38%0.07523%0.228CC..  trans-62.2136.7173.2-164.6-79.3000110.5E193 R196 R199 Y202 I203 Y232 H237E193-Y230 HydrophobicContact CG-CD1 4.42Å; E193-Y230 HydrophobicContact CG-CD2 4.42Å; E193-Y230 HydrophobicContact CG-CE1 4.06Å; E193-Y230 HydrophobicContact CG-CE2 4.06Å; E193-Y230 VanDerWaalsContact O-CE2 3.3Å; E193-Y230 WeakPolarHBondContact O-CE2 3.28Å; E193-Y230 VanDerWaalsContact OE1-CA 3.25Å; E193-Y230 WeakPolarHBondContact OE1-CA 3.33Å; R196-Y230 HydrophobicContact CB-CE2 4.46Å; R199-Y230 HydrophobicContact CB-CE2 3.74Å; Y202-Y230 HydrophobicContact CD1-CD1 4.21Å; Y202-Y230 HydrophobicContact CD1-CG 4.03Å; Y202-Y230 VanDerWaalsContact CD2-CB 3.47Å; Y202-Y230 HydrophobicContact CD2-CD1 4.28Å; Y202-Y230 AromaticContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CD2 3.54Å; Y202-Y230 HydrophobicContact CD2-CE2 4.36Å; Y202-Y230 AromaticContact CD2-CG 3.5Å; Y202-Y230 HydrophobicContact CD2-CG 3.5Å; Y202-Y230 VanDerWaalsContact CE2-CB 3.47Å; Y202-Y230 HydrophobicContact CE2-CD2 4.18Å; Y202-Y230 HydrophobicContact CE2-CG 4.04Å; Y202-Y230 AromaticContact CG-CD1 3.81Å; Y202-Y230 HydrophobicContact CG-CD1 3.81Å; Y202-Y230 AromaticContact CG-CD2 3.92Å; Y202-Y230 HydrophobicContact CG-CD2 3.92Å; Y202-Y230 AromaticContact CG-CG 3.5Å; Y202-Y230 HydrophobicContact CG-CG 3.5Å; Y202-Y230 VanDerWaalsContact CG-CG 3.5Å; I203-Y230 WeakPolarHBondContact CD1-OH 3.42Å; I203-Y230 HydrophobicContact CG2-CE1 4.38Å; Y230-Y232 HydrophobicContact CD1-CD1 4.26Å; Y230-Y232 HydrophobicContact CD1-CE1 4.23Å; Y230-Y232 AromaticContact CE1-CD1 3.78Å; Y230-Y232 HydrophobicContact CE1-CD1 3.78Å; Y230-Y232 AromaticContact CE1-CE1 3.85Å; Y230-Y232 HydrophobicContact CE1-CE1 3.85Å; Y230-H237 AromaticContact CE1-CD2 3.83Å; Y230-H237 AromaticContact CE1-NE2 3.6Å; Y230-H237 AromaticContact CZ-CD2 3.95Å; Y230-H237 AromaticContact CZ-NE2 3.59Å; Y230-H237 PolarHBondContact OH-CD2 2.66Å; Y230-H237 PolarHBondContact OH-NE2 2.73Å
231D96.9Very high89.8Confident25 Ų2544.8 Ų44.813%0.13423%0.228CC..  trans-132.9103.2-174.6-179.914.2000112.1E193 S233 S234 S268 S270E193-D231 PolarHBondContact OE1-N 2.99Å; D231-S233 PolarHBondContact O-N 3.37Å; D231-S233 VanDerWaalsContact O-N 3.15Å; D231-S233 WeakPolarHBondContact OD1-CA 3.5Å; D231-S233 WeakPolarHBondContact OD1-CB 3.31Å; D231-S233 PolarHBondContact OD1-N 3.04Å; D231-S233 PolarHBondContact OD1-OG 3.48Å; D231-S233 PolarHBondContact OD2-OG 3.23Å; D231-S234 VanDerWaalsContact O-CB 3.3Å; D231-S234 WeakPolarHBondContact O-CB 3.23Å; D231-S234 PolarHBondContact O-N 3.09Å; D231-S234 VanDerWaalsContact O-N 3.08Å; D231-S234 PolarHBondContact OD2-N 2.85Å; D231-S268 WeakPolarHBondContact OD2-CB 3.41Å; D231-S268 PolarHBondContact OD2-OG 2.83Å; D231-S270 WeakPolarHBondContact OD2-CB 3.32Å
232Y97.4Very high90.4Very high37 Ų3744.5 Ų44.515%0.14523%0.226CC..THydrogen-bonded Turntrans-56.5-26.1173.2-61.4-63.7000113.6Y202 I203 Y230 P253 V259 I261Y202-Y232 PolarHBondContact O-OH 3.31Å; I203-Y232 HydrophobicContact CG2-CD1 4.44Å; I203-Y232 HydrophobicContact CG2-CE1 3.86Å; Y230-Y232 HydrophobicContact CD1-CD1 4.26Å; Y230-Y232 HydrophobicContact CD1-CE1 4.23Å; Y230-Y232 AromaticContact CE1-CD1 3.78Å; Y230-Y232 HydrophobicContact CE1-CD1 3.78Å; Y230-Y232 AromaticContact CE1-CE1 3.85Å; Y230-Y232 HydrophobicContact CE1-CE1 3.85Å; Y232-P253 HydrophobicContact CD1-CB 4.35Å; Y232-P253 HydrophobicContact CD1-CG 4.37Å; Y232-P253 HydrophobicContact CE1-CB 3.79Å; Y232-P253 HydrophobicContact CE1-CG 4.23Å; Y232-V259 HydrophobicContact CD1-CG1 4.08Å; Y232-V259 HydrophobicContact CD2-CG1 3.91Å; Y232-V259 HydrophobicContact CD2-CG2 4.44Å; Y232-V259 HydrophobicContact CE1-CG1 4.49Å; Y232-V259 HydrophobicContact CE2-CG1 4.33Å; Y232-V259 HydrophobicContact CG-CG1 3.77Å; Y232-I261 HydrophobicContact CD1-CG2 3.79Å; Y232-I261 HydrophobicContact CG-CG2 4.19Å
233S96.9Very high91.5Very high60 Ų6032.8 Ų32.842%0.4218%0.182SC..THydrogen-bonded Turntrans-90.7-0.3-179.9740000114.1D231 V235 Q263D231-S233 PolarHBondContact O-N 3.37Å; D231-S233 VanDerWaalsContact O-N 3.15Å; D231-S233 WeakPolarHBondContact OD1-CA 3.5Å; D231-S233 WeakPolarHBondContact OD1-CB 3.31Å; D231-S233 PolarHBondContact OD1-N 3.04Å; D231-S233 PolarHBondContact OD1-OG 3.48Å; D231-S233 PolarHBondContact OD2-OG 3.23Å; S233-V235 PolarHBondContact O-N 3.28Å; S233-Q263 VanDerWaalsContact O-CG 3.32Å; S233-Q263 WeakPolarHBondContact O-CG 3.45Å; S233-Q263 PolarHBondContact O-NE2 3.3Å
234S97.7Very high92.7Very high0 Ų031.1 Ų31.10%017%0.171CC..  trans-57.5137.2175.6176.50000110.9D231 M236 H237 D271 R274D231-S234 VanDerWaalsContact O-CB 3.3Å; D231-S234 WeakPolarHBondContact O-CB 3.23Å; D231-S234 PolarHBondContact O-N 3.09Å; D231-S234 VanDerWaalsContact O-N 3.08Å; D231-S234 PolarHBondContact OD2-N 2.85Å; S234-M236 PolarHBondContact O-N 3.37Å; S234-M236 VanDerWaalsContact O-N 3.15Å; S234-M236 WeakPolarHBondContact OG-CB 3.49Å; S234-M236 PolarHBondContact OG-N 2.76Å; S234-M236 VanDerWaalsContact OG-N 3.11Å; S234-H237 WeakPolarHBondContact O-CB 3.24Å; S234-H237 PolarHBondContact O-N 2.81Å; S234-D271 WeakPolarHBondContact CA-OD2 3.3Å; S234-D271 WeakPolarHBondContact CB-OD1 3.27Å; S234-D271 PolarHBondContact OG-OD1 2.96Å; S234-D271 PolarHBondContact OG-OD2 3.03Å; S234-R274 PolarHBondContact OG-NH1 3.19Å
235V97.7Very high93.9Very high0 Ų036.3 Ų36.30%019%0.188CC..THydrogen-bonded Turntrans-63.7-17.6173.181.70000111.4G178 H182 M185 S233 H237 R264 L267 D271G178-V235 WeakPolarHBondContact O-CG2 3.5Å; H182-V235 HydrophobicContact CB-CG2 4.28Å; H182-V235 PolarHBondContact ND1-O 3.12Å; M185-V235 HydrophobicContact CG-CG1 4.26Å; S233-V235 PolarHBondContact O-N 3.28Å; V235-H237 VanDerWaalsContact C-N 3.32Å; V235-R264 PolarHBondContact O-NH1 3.22Å; V235-R264 VanDerWaalsContact O-NH1 3.14Å; V235-L267 HydrophobicContact CG1-CD2 3.96Å; V235-D271 PolarHBondContact N-OD2 2.81Å
236M97.6Very high94.9Very high1 Ų140.6 Ų40.61%0.00520%0.2CC..THydrogen-bonded Turntrans-877.6176-50.3-46.8-64.500113.4H182 M185 H186 H192 E193 S234H182-M236 HydrophobicContact CB-SD 4.38Å; M185-M236 HydrophobicContact CB-CE 3.99Å; M185-M236 HydrophobicContact CB-CG 4.19Å; M185-M236 HydrophobicContact CB-SD 3.29Å; M185-M236 WeakPolarHBondContact CB-SD 3.26Å; M185-M236 HydrophobicContact CE-CG 3.95Å; M185-M236 HydrophobicContact CG-CG 4.45Å; M185-M236 HydrophobicContact CG-SD 3.84Å; H186-M236 WeakPolarHBondContact CE1-CE 3.31Å; H186-M236 WeakPolarHBondContact ND1-CE 3.45Å; H186-M236 WeakPolarHBondContact NE2-CE 3.3Å; H192-M236 CarbonylContact C-O 3.52Å; H192-M236 VanDerWaalsContact CA-O 3.31Å; H192-M236 WeakPolarHBondContact CA-O 3.29Å; H192-M236 PolarHBondContact CD2-O 3.36Å; H192-M236 VanDerWaalsContact CD2-O 3.27Å; E193-M236 PolarHBondContact N-O 3.09Å; S234-M236 PolarHBondContact O-N 3.37Å; S234-M236 VanDerWaalsContact O-N 3.15Å; S234-M236 WeakPolarHBondContact OG-CB 3.49Å; S234-M236 PolarHBondContact OG-N 2.76Å; S234-M236 VanDerWaalsContact OG-N 3.11Å
237H97.5Very high95.1Very high0 Ų038.5 Ų38.50%020%0.204CC..SBendtrans-91.5134.2174.9-156.3-57.4000110.4E193 Y230 S234 V235 G262 R264E193-H237 HydrophobicContact CB-CB 3.96Å; Y230-H237 AromaticContact CE1-CD2 3.83Å; Y230-H237 AromaticContact CE1-NE2 3.6Å; Y230-H237 AromaticContact CZ-CD2 3.95Å; Y230-H237 AromaticContact CZ-NE2 3.59Å; Y230-H237 PolarHBondContact OH-CD2 2.66Å; Y230-H237 PolarHBondContact OH-NE2 2.73Å; S234-H237 WeakPolarHBondContact O-CB 3.24Å; S234-H237 PolarHBondContact O-N 2.81Å; V235-H237 VanDerWaalsContact C-N 3.32Å; H237-G262 WeakPolarHBondContact O-CA 3.42Å; H237-R264 PolarHBondContact O-NH1 3.31Å; H237-R264 PolarHBondContact O-NH2 2.78Å
238Y97.1Very high95.2Very high0 Ų039.4 Ų39.40%021%0.208CC..PPolyproline II helixtrans-63.3150.1167.3-87.27.1000112.9P56 E75 H192 H194 F218 A242 F243 I251 G262P56-Y238 HydrophobicContact CG-CD1 4.16Å; P56-Y238 HydrophobicContact CG-CE1 3.77Å; P56-Y238 HydrophobicContact CG-CE2 4.26Å; E75-Y238 PolarHBondContact O-OH 3.31Å; H192-Y238 AromaticContact CD2-CD1 3.81Å; H192-Y238 AromaticContact CD2-CE1 3.69Å; H192-Y238 AromaticContact CE1-CE1 3.71Å; H192-Y238 AromaticContact NE2-CD1 3.82Å; H192-Y238 AromaticContact NE2-CE1 3.3Å; H192-Y238 VanDerWaalsContact NE2-CE1 3.3Å; H192-Y238 WeakPolarHBondContact NE2-CE1 3.07Å; H194-Y238 AromaticContact CD2-CD2 3.9Å; H194-Y238 AromaticContact CE1-CD1 3.31Å; H194-Y238 WeakPolarHBondContact CE1-CD1 3.41Å; H194-Y238 AromaticContact CE1-CD2 3.23Å; H194-Y238 WeakPolarHBondContact CE1-CD2 3.4Å; H194-Y238 AromaticContact CE1-CE1 3.5Å; H194-Y238 VanDerWaalsContact CE1-CE1 3.5Å; H194-Y238 WeakPolarHBondContact CE1-CE1 3.22Å; H194-Y238 AromaticContact CE1-CE2 3.42Å; H194-Y238 VanDerWaalsContact CE1-CE2 3.42Å; H194-Y238 WeakPolarHBondContact CE1-CE2 3.45Å; H194-Y238 AromaticContact CE1-CG 3.17Å; H194-Y238 AromaticContact CE1-CZ 3.53Å; H194-Y238 AromaticContact ND1-CD1 3.71Å; H194-Y238 AromaticContact ND1-CD2 3.76Å; H194-Y238 AromaticContact ND1-CG 3.39Å; H194-Y238 AromaticContact NE2-CD2 3.33Å; H194-Y238 VanDerWaalsContact NE2-CD2 3.33Å; H194-Y238 WeakPolarHBondContact NE2-CD2 3.32Å; H194-Y238 AromaticContact NE2-CE2 3.34Å; H194-Y238 VanDerWaalsContact NE2-CE2 3.34Å; H194-Y238 WeakPolarHBondContact NE2-CE2 3.44Å; H194-Y238 AromaticContact NE2-CG 3.78Å; H194-Y238 AromaticContact NE2-CZ 3.81Å; F218-Y238 HydrophobicContact CE1-CD2 4.21Å; F218-Y238 HydrophobicContact CZ-CD2 4.37Å; F218-Y238 HydrophobicContact CZ-CE2 4.41Å; Y238-A242 HydrophobicContact CD2-CB 3.37Å; Y238-A242 HydrophobicContact CE2-CB 4.02Å; Y238-A242 HydrophobicContact CG-CB 3.77Å; Y238-F243 HydrophobicContact CE2-CD2 4.06Å; Y238-F243 AromaticContact CE2-CE2 3.87Å; Y238-F243 HydrophobicContact CE2-CE2 3.87Å; Y238-F243 AromaticContact CZ-CE2 3.97Å; Y238-F243 WeakPolarHBondContact OH-CE2 3.44Å; Y238-I251 HydrophobicContact CD2-CD1 4.36Å; Y238-G262 PolarHBondContact O-N 2.95Å
239G95.6Very high95.2Very high8 Ų841 Ų418%0.08222%0.219CC..PPolyproline II helixtrans-65.4163.7164.400000113.8D54 L241 A242 G262D54-G239 PolarHBondContact OD2-N 3.19Å; G239-L241 PolarHBondContact O-N 3.34Å; G239-A242 PolarHBondContact O-N 3.09Å; G239-G262 VanDerWaalsContact CA-CA 3.49Å; G239-G262 VanDerWaalsContact N-CA 3.35Å
240R95.5Very high95.3Very high61 Ų6136.2 Ų36.223%0.2319%0.188CC..THydrogen-bonded Turntrans-58.8-29.6-179.7-70.1176.6175.5-109.6-3.2113.6P249 T250 I251 P257 V259 I261R240-P249 HydrophobicContact CB-CB 4.47Å; R240-P249 CarbonylContact O-C 3.57Å; R240-P249 VanDerWaalsContact O-CA 3.25Å; R240-P249 WeakPolarHBondContact O-CA 3.44Å; R240-T250 PolarHBondContact O-N 2.83Å; R240-T250 PolarHBondContact O-OG1 3.29Å; R240-I251 PolarHBondContact O-N 2.03Å; R240-P257 VanDerWaalsContact CZ-O 3.29Å; R240-P257 PolarHBondContact NH1-O 3.09Å; R240-P257 PolarHBondContact NH2-O 2.79Å; R240-V259 PolarHBondContact NH2-O 2.96Å; R240-I261 HydrophobicContact CG-CD1 3.74Å; R240-I261 HydrophobicContact CG-CG1 3.56Å
241L94.5Very high95.3Very high65 Ų6535.3 Ų35.334%0.3418%0.184SC..THydrogen-bonded Turntrans-105.311-172.7-56.5-179.1000113.2G239 F243 S244 G247G239-L241 PolarHBondContact O-N 3.34Å; L241-F243 PolarHBondContact O-N 3.2Å; L241-S244 VanDerWaalsContact O-CB 3.27Å; L241-S244 WeakPolarHBondContact O-CB 3.21Å; L241-S244 PolarHBondContact O-N 3.38Å; L241-S244 VanDerWaalsContact O-N 3.07Å; L241-G247 WeakPolarHBondContact CD2-O 3.46Å
242A94.4Very high95.4Very high5 Ų535.7 Ų35.74%0.04119%0.187CC..THydrogen-bonded Turntrans-53.1127.6176.100000110.2P56 F218 Y238 G239 S244 T250P56-A242 HydrophobicContact CB-CB 4.46Å; P56-A242 HydrophobicContact CG-CB 4.1Å; F218-A242 HydrophobicContact CZ-CB 4.38Å; F218-A242 WeakPolarHBondContact CZ-O 3.37Å; Y238-A242 HydrophobicContact CD2-CB 3.37Å; Y238-A242 HydrophobicContact CE2-CB 4.02Å; Y238-A242 HydrophobicContact CG-CB 3.77Å; G239-A242 PolarHBondContact O-N 3.09Å; A242-S244 PolarHBondContact O-N 3.04Å; A242-T250 WeakPolarHBondContact O-CB 3.04Å; A242-T250 VanDerWaalsContact O-CG2 3.29Å; A242-T250 WeakPolarHBondContact O-CG2 3.25Å; A242-T250 PolarHBondContact O-OG1 2.82Å
243F93.1Very high95.4Very high11 Ų1134 Ų345%0.04818%0.181CC..THydrogen-bonded Turntrans47.332.4-176.3-55.6-66.7000115.4P56 I63 I210 L211 F214 N217 F218 Y238 L241P56-F243 HydrophobicContact CB-CD1 4.31Å; P56-F243 HydrophobicContact CB-CD2 4.2Å; P56-F243 HydrophobicContact CB-CE1 3.89Å; P56-F243 HydrophobicContact CB-CE2 3.79Å; P56-F243 HydrophobicContact CB-CG 4.46Å; P56-F243 HydrophobicContact CB-CZ 3.63Å; P56-F243 HydrophobicContact CG-CE2 4.06Å; P56-F243 HydrophobicContact CG-CZ 4.25Å; I63-F243 HydrophobicContact CD1-CE1 3.84Å; I63-F243 HydrophobicContact CD1-CZ 3.93Å; I210-F243 CarbonylContact C-O 3.56Å; I210-F243 WeakPolarHBondContact CA-O 3.46Å; I210-F243 HydrophobicContact CG2-CB 4.3Å; L211-F243 HydrophobicContact CD1-CB 4.49Å; L211-F243 WeakPolarHBondContact CG-O 3.03Å; L211-F243 PolarHBondContact N-O 3.1Å; F214-F243 HydrophobicContact CB-CB 4.09Å; F214-F243 HydrophobicContact CB-CD1 4.27Å; F214-F243 HydrophobicContact CB-CG 4.14Å; F214-F243 AromaticContact CD1-CD1 3.25Å; F214-F243 HydrophobicContact CD1-CD1 3.25Å; F214-F243 AromaticContact CD1-CE1 3.42Å; F214-F243 HydrophobicContact CD1-CE1 3.42Å; F214-F243 VanDerWaalsContact CD1-CE1 3.42Å; F214-F243 AromaticContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CG 3.96Å; F214-F243 HydrophobicContact CD1-CZ 4.21Å; F214-F243 AromaticContact CE1-CD1 3.78Å; F214-F243 HydrophobicContact CE1-CD1 3.78Å; F214-F243 AromaticContact CE1-CE1 3.7Å; F214-F243 HydrophobicContact CE1-CE1 3.7Å; F214-F243 AromaticContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CD1 3.99Å; F214-F243 HydrophobicContact CG-CG 4.37Å; N217-F243 HydrophobicContact CB-CD2 4.03Å; N217-F243 HydrophobicContact CB-CE2 3.69Å; F218-F243 HydrophobicContact CE2-CB 3.96Å; F218-F243 AromaticContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CD2 3.77Å; F218-F243 HydrophobicContact CE2-CG 4.32Å; F218-F243 HydrophobicContact CZ-CB 4.19Å; F218-F243 HydrophobicContact CZ-CD2 4.04Å; Y238-F243 HydrophobicContact CE2-CD2 4.06Å; Y238-F243 AromaticContact CE2-CE2 3.87Å; Y238-F243 HydrophobicContact CE2-CE2 3.87Å; Y238-F243 AromaticContact CZ-CE2 3.97Å; Y238-F243 WeakPolarHBondContact OH-CE2 3.44Å; L241-F243 PolarHBondContact O-N 3.2Å
244S93.9Very high95.4Very high22 Ų2233.8 Ų33.815%0.15418%0.175CC..BIsolated β-bridgetrans-72.2126.8178.6144.10000111.9E209 L241 A242 R246 G247 L248E209-S244 CarbonylContact O-C 3.59Å; E209-S244 WeakPolarHBondContact O-CA 3.34Å; L241-S244 VanDerWaalsContact O-CB 3.27Å; L241-S244 WeakPolarHBondContact O-CB 3.21Å; L241-S244 PolarHBondContact O-N 3.38Å; L241-S244 VanDerWaalsContact O-N 3.07Å; A242-S244 PolarHBondContact O-N 3.04Å; S244-R246 PolarHBondContact OG-N 2.89Å; S244-G247 WeakPolarHBondContact OG-CA 3.35Å; S244-G247 PolarHBondContact OG-N 3.13Å; S244-L248 VanDerWaalsContact CB-O 3.31Å; S244-L248 WeakPolarHBondContact CB-O 3.4Å; S244-L248 PolarHBondContact OG-N 3.35Å; S244-L248 VanDerWaalsContact OG-N 3.13Å; S244-L248 PolarHBondContact OG-O 2.86Å
245R90.3Very high95Very high123 Ų12343.3 Ų43.346%0.46421%0.211SC..SBendtrans-69-30.7175.1-179.3175.354.1169-3.4114.4N208 E209 L211N208-R245 PolarHBondContact O-NH2 3.03Å; E209-R245 PolarHBondContact O-N 3.14Å; L211-R245 HydrophobicContact CD2-CB 4.06Å; L211-R245 HydrophobicContact CD2-CG 4.3Å; L211-R245 HydrophobicContact CG-CB 4.38Å
246R91Very high94.5Very high149 Ų14945 Ų4556%0.56223%0.225SC*.SBendtrans-133.520.1-165.7-56.8-167.9-64.5164.4-2.8115E209 S244 L248E209-R246 IonicContact OE1-CZ 2.66Å; E209-R246 IonicContact OE1-NH2 2.78Å; E209-R246 PolarHBondContact OE1-NH2 3.34Å; E209-R246 IonicContact OE2-CZ 3.61Å; E209-R246 VanDerWaalsContact OE2-CZ 3.31Å; E209-R246 IonicContact OE2-NE 2.85Å; E209-R246 PolarHBondContact OE2-NE 2.81Å; E209-R246 IonicContact OE2-NH2 3.49Å; E209-R246 PolarHBondContact OE2-NH2 3.36Å; S244-R246 PolarHBondContact OG-N 2.89Å; R246-L248 HydrophobicContact CB-CD1 4.38Å; R246-L248 HydrophobicContact CB-CG 4.33Å; R246-L248 PolarHBondContact O-N 2.73Å
247G90.4Very high94.1Very high54 Ų5448.8 Ų48.856%0.55725%0.25SC*.SBendtrans64.417.4-168.400000114.4L241 S244L241-G247 WeakPolarHBondContact CD2-O 3.46Å; S244-G247 WeakPolarHBondContact OG-CA 3.35Å; S244-G247 PolarHBondContact OG-N 3.13Å
248L94.5Very high93.7Very high75 Ų7554.2 Ų54.239%0.39329%0.288SS..SBendtrans-102.8150-178-66.9178.5000111.2E209 S244 R246 T250E209-L248 HydrophobicContact CB-CB 4.35Å; E209-L248 HydrophobicContact CG-CB 3.99Å; S244-L248 VanDerWaalsContact CB-O 3.31Å; S244-L248 WeakPolarHBondContact CB-O 3.4Å; S244-L248 PolarHBondContact OG-N 3.35Å; S244-L248 VanDerWaalsContact OG-N 3.13Å; S244-L248 PolarHBondContact OG-O 2.86Å; R246-L248 HydrophobicContact CB-CD1 4.38Å; R246-L248 HydrophobicContact CB-CG 4.33Å; R246-L248 PolarHBondContact O-N 2.73Å; L248-T250 PolarHBondContact O-N 3.04Å
249P95Very high93.5Very high46 Ų4656.4 Ų56.430%0.29930%0.301SS..  trans-59.8120.6-176.4-25.935.4000113.6N206 R240N206-P249 WeakPolarHBondContact CB-O 3.46Å; N206-P249 PolarHBondContact ND2-O 3.06Å; R240-P249 HydrophobicContact CB-CB 4.47Å; R240-P249 CarbonylContact O-C 3.57Å; R240-P249 VanDerWaalsContact O-CA 3.25Å; R240-P249 WeakPolarHBondContact O-CA 3.44Å
250T97.1Very high93.4Very high0 Ų060.7 Ų60.70%032%0.319CS..SBendtrans-81.2-24.8167.352.80000111.7V205 N206 E209 I210 R240 A242 L248V205-T250 CarbonylContact C-O 3.51Å; V205-T250 WeakPolarHBondContact CA-O 3.15Å; N206-T250 PolarHBondContact N-O 2.9Å; E209-T250 HydrophobicContact CB-CG2 4.32Å; I210-T250 HydrophobicContact CB-CG2 4.43Å; I210-T250 HydrophobicContact CG1-CG2 3.83Å; R240-T250 PolarHBondContact O-N 2.83Å; R240-T250 PolarHBondContact O-OG1 3.29Å; A242-T250 WeakPolarHBondContact O-CB 3.04Å; A242-T250 VanDerWaalsContact O-CG2 3.29Å; A242-T250 WeakPolarHBondContact O-CG2 3.25Å; A242-T250 PolarHBondContact O-OG1 2.82Å; L248-T250 PolarHBondContact O-N 3.04Å
251I97.8Very high93.5Very high0 Ų058 Ų580%031%0.309CS..EExtended strand (participates in β ladder)trans-123.8127.2175.8-53.1177.6000111H194 I203 F218 Y238 R240 I261H194-I251 HydrophobicContact CB-CD1 3.9Å; I203-I251 HydrophobicContact CB-CG2 3.85Å; I203-I251 HydrophobicContact CD1-CG2 3.72Å; I203-I251 HydrophobicContact CG1-CG2 4.4Å; I203-I251 HydrophobicContact CG2-CG2 3.83Å; F218-I251 HydrophobicContact CD1-CD1 4.44Å; F218-I251 HydrophobicContact CD1-CG1 4.33Å; F218-I251 HydrophobicContact CE1-CD1 4.01Å; F218-I251 HydrophobicContact CE1-CG1 3.88Å; Y238-I251 HydrophobicContact CD2-CD1 4.36Å; R240-I251 PolarHBondContact O-N 2.03Å; I251-I261 HydrophobicContact CB-CD1 3.97Å; I251-I261 HydrophobicContact CG2-CD1 3.68Å
252T97.5Very high93.5Very high32 Ų3255.6 Ų55.620%0.19630%0.3CS..EExtended strand (participates in β ladder)trans-124.2116.5176.2-57.30000111I203 R204 N206I203-T252 WeakPolarHBondContact CA-O 3.48Å; R204-T252 PolarHBondContact N-O 3.49Å; R204-T252 PolarHBondContact O-N 2.89Å; N206-T252 PolarHBondContact ND2-OG1 3.41Å
253P97.7Very high93.6Very high1 Ų156 Ų561%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-60136.3170-25.937000112.7Y232 A256 V259 I261Y232-P253 HydrophobicContact CD1-CB 4.35Å; Y232-P253 HydrophobicContact CD1-CG 4.37Å; Y232-P253 HydrophobicContact CE1-CB 3.79Å; Y232-P253 HydrophobicContact CE1-CG 4.23Å; P253-A256 WeakPolarHBondContact CB-O 3.35Å; P253-V259 HydrophobicContact CB-CG1 3.74Å; P253-V259 HydrophobicContact CG-CG1 3.7Å; P253-I261 HydrophobicContact CG-CD1 4.26Å; P253-I261 HydrophobicContact CG-CG2 4.15Å
254L97.1Very high93.6Very high57 Ų5756.4 Ų56.430%0.29830%0.302SS..SBendtrans-82.1-49.6-174-68.3174.8000113.1D200 Y202 R204D200-L254 WeakPolarHBondContact O-CD1 3.39Å; Y202-L254 WeakPolarHBondContact O-CB 3.17Å; Y202-L254 PolarHBondContact O-N 3.16Å; R204-L254 HydrophobicContact CB-CD2 4Å
255W90.1Very high93.6Very high199 Ų19964 Ų6475%0.75433%0.327SS*.SBendtrans-92.1-12.7-171.8-50.8108.2000114.3R201R201-W255 PolarHBondContact O-NE1 3.35Å
256A87Confident93.8Very high35 Ų3560.6 Ų60.629%0.28932%0.318SS..  trans-145.574.9176.100000109.4P253 S258 V259P253-A256 WeakPolarHBondContact CB-O 3.35Å; A256-S258 PolarHBondContact O-N 3.12Å; A256-V259 HydrophobicContact CB-CB 3.95Å; A256-V259 HydrophobicContact CB-CG1 4.14Å; A256-V259 WeakPolarHBondContact O-CB 3.48Å; A256-V259 VanDerWaalsContact O-CG1 3.27Å; A256-V259 WeakPolarHBondContact O-CG1 3.38Å; A256-V259 PolarHBondContact O-N 3.44Å
257P88.2Confident94.2Very high81 Ų8154.1 Ų54.153%0.52630%0.295SS..THydrogen-bonded Turntrans-58-16.6-171.3-27.936.8000115.7R240R240-P257 VanDerWaalsContact CZ-O 3.29Å; R240-P257 PolarHBondContact NH1-O 3.09Å; R240-P257 PolarHBondContact NH2-O 2.79Å
258S89.7Confident94.5Very high115 Ų11552.1 Ų52.180%0.80427%0.272SS*.THydrogen-bonded Turntrans-94.3-8.2175.153.50000115.3A256 H260A256-S258 PolarHBondContact O-N 3.12Å; S258-H260 PolarHBondContact O-N 3.36Å
259V94Very high94.7Very high46 Ų4652.2 Ų52.228%0.27928%0.284SS..  trans-62.4134.8-177.375.10000111.1Y232 R240 P253 A256 I261Y232-V259 HydrophobicContact CD1-CG1 4.08Å; Y232-V259 HydrophobicContact CD2-CG1 3.91Å; Y232-V259 HydrophobicContact CD2-CG2 4.44Å; Y232-V259 HydrophobicContact CE1-CG1 4.49Å; Y232-V259 HydrophobicContact CE2-CG1 4.33Å; Y232-V259 HydrophobicContact CG-CG1 3.77Å; R240-V259 PolarHBondContact NH2-O 2.96Å; P253-V259 HydrophobicContact CB-CG1 3.74Å; P253-V259 HydrophobicContact CG-CG1 3.7Å; A256-V259 HydrophobicContact CB-CB 3.95Å; A256-V259 HydrophobicContact CB-CG1 4.14Å; A256-V259 WeakPolarHBondContact O-CB 3.48Å; A256-V259 VanDerWaalsContact O-CG1 3.27Å; A256-V259 WeakPolarHBondContact O-CG1 3.38Å; A256-V259 PolarHBondContact O-N 3.44Å; V259-I261 HydrophobicContact CG1-CG2 4.44Å
260H92.8Very high94.8Very high98 Ų9850.9 Ų50.945%0.45428%0.276SS..  trans-69.2138176.6-173.776.2000110.4S258 W265S258-H260 PolarHBondContact O-N 3.36Å; H260-W265 AromaticContact CD2-CH2 3.57Å; H260-W265 AromaticContact CD2-CZ3 3.93Å; H260-W265 AromaticContact NE2-CH2 3.51Å
261I96.4Very high94.8Very high4 Ų450.9 Ų50.92%0.02128%0.276CS..  trans-137150.8174.456.9168.1000107.8Y232 R240 I251 P253 V259Y232-I261 HydrophobicContact CD1-CG2 3.79Å; Y232-I261 HydrophobicContact CG-CG2 4.19Å; R240-I261 HydrophobicContact CG-CD1 3.74Å; R240-I261 HydrophobicContact CG-CG1 3.56Å; I251-I261 HydrophobicContact CB-CD1 3.97Å; I251-I261 HydrophobicContact CG2-CD1 3.68Å; P253-I261 HydrophobicContact CG-CD1 4.26Å; P253-I261 HydrophobicContact CG-CG2 4.15Å; V259-I261 HydrophobicContact CG1-CG2 4.44Å
262G95.9Very high94.8Very high14 Ų1452.6 Ų52.614%0.14429%0.285CS..  trans91.716.7-174.700000115.1H237 Y238 G239H237-G262 WeakPolarHBondContact O-CA 3.42Å; Y238-G262 PolarHBondContact O-N 2.95Å; G239-G262 VanDerWaalsContact CA-CA 3.49Å; G239-G262 VanDerWaalsContact N-CA 3.35Å
263Q95.1Very high94.8Very high14 Ų1453.6 Ų53.67%0.06529%0.291CS..  trans-61.7141.3179.573.984.21000111.3S233 W265 N266S233-Q263 VanDerWaalsContact O-CG 3.32Å; S233-Q263 WeakPolarHBondContact O-CG 3.45Å; S233-Q263 PolarHBondContact O-NE2 3.3Å; Q263-W265 HydrophobicContact CB-CD2 4.17Å; Q263-W265 HydrophobicContact CB-CE3 3.56Å; Q263-W265 HydrophobicContact CB-CH2 4.19Å; Q263-W265 HydrophobicContact CB-CZ3 3.57Å; Q263-W265 HydrophobicContact CG-CE3 4.36Å; Q263-N266 PolarHBondContact NE2-O 2.83Å; Q263-N266 PolarHBondContact OE1-O 3.06Å
264R94.8Very high94.7Very high19 Ų1954 Ų547%0.07229%0.292CS..  trans-133.747.6175.4-64.9-64.9-176.6-79.1-1.8110D54 G178 I179 V235 H237D54-R264 IonicContact OD1-CZ 3.7Å; D54-R264 IonicContact OD1-NE 2.74Å; D54-R264 IonicContact OD1-NH2 3.53Å; D54-R264 PolarHBondContact OD1-NH2 3.32Å; G178-R264 WeakPolarHBondContact CA-O 3.35Å; I179-R264 HydrophobicContact CG1-CB 4.29Å; I179-R264 HydrophobicContact CG1-CG 4.21Å; V235-R264 PolarHBondContact O-NH1 3.22Å; V235-R264 VanDerWaalsContact O-NH1 3.14Å; H237-R264 PolarHBondContact O-NH1 3.31Å; H237-R264 PolarHBondContact O-NH2 2.78Å
265W93.3Very high94.7Very high181 Ų18151.2 Ų51.269%0.68628%0.278SS*.SBendtrans-103.9-51.6179-54.3-51.3000112.1H260 Q263H260-W265 AromaticContact CD2-CH2 3.57Å; H260-W265 AromaticContact CD2-CZ3 3.93Å; H260-W265 AromaticContact NE2-CH2 3.51Å; Q263-W265 HydrophobicContact CB-CD2 4.17Å; Q263-W265 HydrophobicContact CB-CE3 3.56Å; Q263-W265 HydrophobicContact CB-CH2 4.19Å; Q263-W265 HydrophobicContact CB-CZ3 3.57Å; Q263-W265 HydrophobicContact CG-CE3 4.36Å
266N95.4Very high94.9Very high52 Ų5244.6 Ų44.628%0.27826%0.257SS..SBendtrans-157.6171.2-179.6-153.6-3.8000112.2E126 L181 Q263E126-N266 PolarHBondContact OE2-ND2 3.36Å; E126-N266 VanDerWaalsContact OE2-ND2 3.11Å; E126-N266 PolarHBondContact OE2-OD1 2.86Å; L181-N266 VanDerWaalsContact CD1-OD1 3.22Å; L181-N266 WeakPolarHBondContact CD1-OD1 3.4Å; Q263-N266 PolarHBondContact NE2-O 2.83Å; Q263-N266 PolarHBondContact OE1-O 3.06Å
267L97.9Very high95.3Very high13 Ų1348.6 Ų48.67%0.06827%0.268CS..  trans-60.1138167.1-65.4177.7000110.6E126 F127 L181 M185 V235 D271 I272E126-L267 HydrophobicContact CG-CD1 4.18Å; F127-L267 HydrophobicContact CD1-CD1 3.99Å; F127-L267 HydrophobicContact CE1-CD1 3.72Å; F127-L267 HydrophobicContact CE1-CD2 4.2Å; F127-L267 HydrophobicContact CE2-CD1 4.46Å; F127-L267 HydrophobicContact CG-CD1 4.47Å; F127-L267 HydrophobicContact CZ-CD1 3.99Å; F127-L267 HydrophobicContact CZ-CD2 3.97Å; F127-L267 HydrophobicContact CZ-CG 4.47Å; L181-L267 HydrophobicContact CB-CD2 4.15Å; L181-L267 HydrophobicContact CB-CG 4.43Å; L181-L267 HydrophobicContact CD1-CG 4.33Å; L181-L267 HydrophobicContact CD2-CD1 4.47Å; L181-L267 HydrophobicContact CD2-CG 4.23Å; M185-L267 HydrophobicContact CG-CD2 3.76Å; M185-L267 HydrophobicContact SD-CD2 4.09Å; V235-L267 HydrophobicContact CG1-CD2 3.96Å; L267-D271 HydrophobicContact CB-CB 4.27Å; L267-D271 HydrophobicContact CD2-CB 4.12Å; L267-I272 HydrophobicContact CB-CD1 4.3Å; L267-I272 HydrophobicContact CB-CG1 3.96Å; L267-I272 HydrophobicContact CD1-CG1 4Å
268S97.9Very high95.5Very high12 Ų1245.3 Ų45.38%0.08425%0.245CC..  trans-76.1165.1168.693.10000111.5D231 S270 D271 I272D231-S268 WeakPolarHBondContact OD2-CB 3.41Å; D231-S268 PolarHBondContact OD2-OG 2.83Å; S268-S270 PolarHBondContact O-N 2.7Å; S268-S270 WeakPolarHBondContact OG-CA 3.4Å; S268-S270 VanDerWaalsContact OG-CB 3.28Å; S268-S270 WeakPolarHBondContact OG-CB 3.37Å; S268-S270 PolarHBondContact OG-N 3.2Å; S268-D271 PolarHBondContact N-OD2 3.45Å; S268-D271 PolarHBondContact O-N 2.9Å; S268-D271 VanDerWaalsContact O-N 3.17Å; S268-D271 PolarHBondContact OG-N 3.21Å; S268-D271 PolarHBondContact OG-OD2 2.84Å; S268-I272 PolarHBondContact O-N 3.11Å; S268-I272 VanDerWaalsContact O-N 3.08Å
269A97.4Very high95.7Very high78 Ų7840.4 Ų40.465%0.64521%0.209SC*.Hα-helixtrans-61.4-28.6170.400000112.5T273A269-T273 VanDerWaalsContact O-CB 3.28Å; A269-T273 WeakPolarHBondContact O-CB 3.25Å; A269-T273 PolarHBondContact O-N 3.12Å; A269-T273 VanDerWaalsContact O-N 3.1Å; A269-T273 PolarHBondContact O-OG1 2.79Å
270S97.1Very high95.7Very high18 Ų1840.8 Ų40.813%0.12622%0.223CC..Hα-helixtrans-69.3-44.9173.3-155.50000110.7T228 D231 S268 T273 R274T228-S270 WeakPolarHBondContact CB-OG 3.34Å; T228-S270 PolarHBondContact OG1-OG 2.76Å; D231-S270 WeakPolarHBondContact OD2-CB 3.32Å; S268-S270 PolarHBondContact O-N 2.7Å; S268-S270 WeakPolarHBondContact OG-CA 3.4Å; S268-S270 VanDerWaalsContact OG-CB 3.28Å; S268-S270 WeakPolarHBondContact OG-CB 3.37Å; S268-S270 PolarHBondContact OG-N 3.2Å; S270-T273 CarbonylContact O-C 3.55Å; S270-T273 PolarHBondContact O-N 2.83Å; S270-R274 WeakPolarHBondContact O-CD 3.41Å; S270-R274 WeakPolarHBondContact O-CG 3.39Å; S270-R274 PolarHBondContact O-N 3.41Å; S270-R274 PolarHBondContact OG-NE 2.83Å; S270-R274 PolarHBondContact OG-NH2 3.28Å
271D98.2Very high95.5Very high0 Ų036.9 Ų36.90%021%0.206CC..Hα-helixtrans-58.9-50178.1-61.7-32.9000111.7M185 S234 V235 L267 S268 T273 R274 V275M185-D271 HydrophobicContact CE-CB 3.79Å; M185-D271 HydrophobicContact SD-CB 4.36Å; S234-D271 WeakPolarHBondContact CA-OD2 3.3Å; S234-D271 WeakPolarHBondContact CB-OD1 3.27Å; S234-D271 PolarHBondContact OG-OD1 2.96Å; S234-D271 PolarHBondContact OG-OD2 3.03Å; V235-D271 PolarHBondContact N-OD2 2.81Å; L267-D271 HydrophobicContact CB-CB 4.27Å; L267-D271 HydrophobicContact CD2-CB 4.12Å; S268-D271 PolarHBondContact N-OD2 3.45Å; S268-D271 PolarHBondContact O-N 2.9Å; S268-D271 VanDerWaalsContact O-N 3.17Å; S268-D271 PolarHBondContact OG-N 3.21Å; S268-D271 PolarHBondContact OG-OD2 2.84Å; D271-T273 VanDerWaalsContact C-N 3.33Å; D271-T273 PolarHBondContact O-N 2.92Å; D271-R274 WeakPolarHBondContact O-CB 3.47Å; D271-R274 PolarHBondContact O-N 3.37Å; D271-R274 VanDerWaalsContact O-N 3.15Å; D271-R274 IonicContact OD1-NH1 3.52Å; D271-R274 PolarHBondContact OD1-NH1 3.2Å; D271-V275 WeakPolarHBondContact O-CG2 3.29Å; D271-V275 PolarHBondContact O-N 3.06Å
272I97.6Very high94.7Very high35 Ų3540.4 Ų40.418%0.17923%0.231CC..Hα-helixtrans-58.1-46.6174.9-64.2166.3000110.4S130 T131 L267 S268 R274 V275 L276S130-I272 WeakPolarHBondContact O-CG2 3.33Å; T131-I272 HydrophobicContact CG2-CG2 4.29Å; L267-I272 HydrophobicContact CB-CD1 4.3Å; L267-I272 HydrophobicContact CB-CG1 3.96Å; L267-I272 HydrophobicContact CD1-CG1 4Å; S268-I272 PolarHBondContact O-N 3.11Å; S268-I272 VanDerWaalsContact O-N 3.08Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.22Å; I272-V275 PolarHBondContact O-N 3Å; I272-L276 HydrophobicContact CG2-CD1 4.02Å; I272-L276 HydrophobicContact CG2-CG 4.39Å; I272-L276 VanDerWaalsContact O-CG 3.31Å; I272-L276 WeakPolarHBondContact O-CG 3.48Å; I272-L276 PolarHBondContact O-N 2.6Å
273T96.8Very high93Very high54 Ų5446 Ų4633%0.33127%0.265SS..Hα-helixtrans-62.1-35.3178.8-60.70000112.4T228 A269 S270 D271 K277T228-T273 HydrophobicContact CG2-CG2 3.62Å; A269-T273 VanDerWaalsContact O-CB 3.28Å; A269-T273 WeakPolarHBondContact O-CB 3.25Å; A269-T273 PolarHBondContact O-N 3.12Å; A269-T273 VanDerWaalsContact O-N 3.1Å; A269-T273 PolarHBondContact O-OG1 2.79Å; S270-T273 CarbonylContact O-C 3.55Å; S270-T273 PolarHBondContact O-N 2.83Å; D271-T273 VanDerWaalsContact C-N 3.33Å; D271-T273 PolarHBondContact O-N 2.92Å; T273-K277 HydrophobicContact CG2-CD 4.16Å; T273-K277 HydrophobicContact CG2-CG 4.45Å; T273-K277 WeakPolarHBondContact O-CB 3.48Å; T273-K277 VanDerWaalsContact O-CG 3.31Å; T273-K277 WeakPolarHBondContact O-CG 3.35Å; T273-K277 PolarHBondContact O-N 2.97Å
274R96.2Very high90.7Very high8 Ų849.6 Ų49.63%0.0329%0.292CS..Hα-helixtrans-65.9-45.7175.7-71.6160.4-174.2-179-7.6111.2F190 E193 L227 T228 P229 S234 S270 D271 I272 K277 L278F190-R274 HydrophobicContact CD1-CB 4.32Å; F190-R274 HydrophobicContact CE1-CB 3.6Å; F190-R274 HydrophobicContact CZ-CB 3.85Å; E193-R274 IonicContact OE1-CZ 3.6Å; E193-R274 IonicContact OE1-NH1 3.78Å; E193-R274 IonicContact OE1-NH2 3.34Å; E193-R274 PolarHBondContact OE1-NH2 3.47Å; E193-R274 IonicContact OE2-CZ 2.78Å; E193-R274 IonicContact OE2-NH1 3.38Å; E193-R274 PolarHBondContact OE2-NH1 2.83Å; E193-R274 IonicContact OE2-NH2 3.53Å; E193-R274 PolarHBondContact OE2-NH2 2.72Å; L227-R274 HydrophobicContact CB-CG 4.44Å; T228-R274 HydrophobicContact CG2-CG 3.88Å; T228-R274 PolarHBondContact OG1-NE 3.15Å; T228-R274 PolarHBondContact OG1-NH2 2.81Å; P229-R274 PolarHBondContact O-NH2 3.45Å; P229-R274 VanDerWaalsContact O-NH2 3.13Å; S234-R274 PolarHBondContact OG-NH1 3.19Å; S270-R274 WeakPolarHBondContact O-CD 3.41Å; S270-R274 WeakPolarHBondContact O-CG 3.39Å; S270-R274 PolarHBondContact O-N 3.41Å; S270-R274 PolarHBondContact OG-NE 2.83Å; S270-R274 PolarHBondContact OG-NH2 3.28Å; D271-R274 WeakPolarHBondContact O-CB 3.47Å; D271-R274 PolarHBondContact O-N 3.37Å; D271-R274 VanDerWaalsContact O-N 3.15Å; D271-R274 IonicContact OD1-NH1 3.52Å; D271-R274 PolarHBondContact OD1-NH1 3.2Å; I272-R274 VanDerWaalsContact C-N 3.29Å; I272-R274 PolarHBondContact O-N 3.22Å; R274-K277 PolarHBondContact O-N 2.84Å; R274-L278 VanDerWaalsContact O-CB 3.28Å; R274-L278 WeakPolarHBondContact O-CB 3.27Å; R274-L278 PolarHBondContact O-N 3.18Å
275V96.3Very high88.4Confident0 Ų051 Ų510%031%0.313CS..Hα-helixtrans-58.4-50.8174.7-179.40000110.3F127 T131 V133 M185 L188 F190 D271 I272 K277 L278 Y279F127-V275 HydrophobicContact CE1-CG2 4.27Å; T131-V275 HydrophobicContact CG2-CB 3.98Å; T131-V275 HydrophobicContact CG2-CG1 3.76Å; V133-V275 HydrophobicContact CG2-CG1 3.75Å; M185-V275 HydrophobicContact SD-CG2 3.67Å; L188-V275 HydrophobicContact CD1-CG1 4.17Å; L188-V275 HydrophobicContact CD1-CG2 4.12Å; F190-V275 HydrophobicContact CE2-CB 4.43Å; F190-V275 HydrophobicContact CE2-CG2 3.71Å; F190-V275 HydrophobicContact CZ-CG2 4.3Å; D271-V275 WeakPolarHBondContact O-CG2 3.29Å; D271-V275 PolarHBondContact O-N 3.06Å; I272-V275 PolarHBondContact O-N 3Å; V275-K277 VanDerWaalsContact C-N 3.32Å; V275-K277 PolarHBondContact O-N 3.07Å; V275-L278 PolarHBondContact O-N 2.92Å; V275-Y279 HydrophobicContact CG1-CD2 4.12Å; V275-Y279 PolarHBondContact O-N 3.07Å; V275-Y279 VanDerWaalsContact O-N 3.16Å
276L95Very high85.8Confident59 Ų5948.9 Ų48.931%0.30932%0.322SS..Hα-helixtrans-55.5-45.1179.2-68.2171.9000112I272 G280 C281I272-L276 HydrophobicContact CG2-CD1 4.02Å; I272-L276 HydrophobicContact CG2-CG 4.39Å; I272-L276 VanDerWaalsContact O-CG 3.31Å; I272-L276 WeakPolarHBondContact O-CG 3.48Å; I272-L276 PolarHBondContact O-N 2.6Å; L276-G280 PolarHBondContact O-N 3.05Å; L276-G280 VanDerWaalsContact O-N 3.11Å; L276-C281 HydrophobicContact CB-CB 4.32Å; L276-C281 HydrophobicContact CD2-CB 3.46Å; L276-C281 VanDerWaalsContact CD2-CB 3.46Å; L276-C281 HydrophobicContact CG-CB 4.49Å; L276-C281 PolarHBondContact O-N 2.91Å
277K94.6Very high83.1Confident119 Ų11956.7 Ų56.752%0.51735%0.347SS..Hα-helixtrans-70.5-41177.7-74.4-179.8-179.5-169.20113.4L227 T273 R274 V275 Y279 G280L227-K277 HydrophobicContact CB-CB 4.25Å; L227-K277 HydrophobicContact CB-CD 4.08Å; L227-K277 HydrophobicContact CD1-CB 4.08Å; L227-K277 VanDerWaalsContact O-CD 3.23Å; L227-K277 WeakPolarHBondContact O-CD 3.44Å; L227-K277 PolarHBondContact O-NZ 2.92Å; T273-K277 HydrophobicContact CG2-CD 4.16Å; T273-K277 HydrophobicContact CG2-CG 4.45Å; T273-K277 WeakPolarHBondContact O-CB 3.48Å; T273-K277 VanDerWaalsContact O-CG 3.31Å; T273-K277 WeakPolarHBondContact O-CG 3.35Å; T273-K277 PolarHBondContact O-N 2.97Å; R274-K277 PolarHBondContact O-N 2.84Å; V275-K277 VanDerWaalsContact C-N 3.32Å; V275-K277 PolarHBondContact O-N 3.07Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 3.22Å; K277-G280 PolarHBondContact O-N 3.03Å
278L93.8Very high80.3Confident12 Ų1262 Ų626%0.06338%0.383CS..Hα-helixtrans-64.5-37-176.2-174.269.1000111.6K93 L188 F190 L227 R274 V275K93-L278 HydrophobicContact CD-CG 4.44Å; K93-L278 PolarHBondContact NZ-O 3.28Å; L188-L278 WeakPolarHBondContact O-CD2 3.47Å; F190-L278 HydrophobicContact CE1-CB 4.38Å; F190-L278 HydrophobicContact CE1-CD2 3.93Å; F190-L278 HydrophobicContact CE2-CD2 3.82Å; F190-L278 HydrophobicContact CZ-CB 3.77Å; F190-L278 HydrophobicContact CZ-CD2 3.4Å; F190-L278 VanDerWaalsContact CZ-CD2 3.4Å; F190-L278 HydrophobicContact CZ-CG 4.16Å; L227-L278 HydrophobicContact CD1-CB 3.73Å; L227-L278 HydrophobicContact CD1-CD1 3.99Å; L227-L278 HydrophobicContact CD1-CG 4.48Å; R274-L278 VanDerWaalsContact O-CB 3.28Å; R274-L278 WeakPolarHBondContact O-CB 3.27Å; R274-L278 PolarHBondContact O-N 3.18Å; V275-L278 PolarHBondContact O-N 2.92Å
279Y93.9Very high77.6Confident12 Ų1273.5 Ų73.55%0.04742%0.424CS..Hα-helixtrans-100.6-2.2-176.7-73.4-76.6000114.7K93 W94 V102 L188 V275 K277 C281K93-Y279 HydrophobicContact CB-CE1 4.13Å; W94-Y279 HydrophobicContact CB-CE1 4.14Å; V102-Y279 HydrophobicContact CB-CD1 4.22Å; V102-Y279 HydrophobicContact CG1-CD1 3.8Å; V102-Y279 HydrophobicContact CG1-CE1 3.68Å; V102-Y279 HydrophobicContact CG1-CG 4.48Å; V102-Y279 HydrophobicContact CG2-CD1 3.42Å; V102-Y279 VanDerWaalsContact CG2-CD1 3.42Å; V102-Y279 HydrophobicContact CG2-CE1 4.19Å; V102-Y279 HydrophobicContact CG2-CG 3.77Å; L188-Y279 HydrophobicContact CB-CE2 4.21Å; L188-Y279 HydrophobicContact CD2-CE2 3.99Å; L188-Y279 PolarHBondContact O-OH 2.93Å; V275-Y279 HydrophobicContact CG1-CD2 4.12Å; V275-Y279 PolarHBondContact O-N 3.07Å; V275-Y279 VanDerWaalsContact O-N 3.16Å; K277-Y279 VanDerWaalsContact C-N 3.29Å; K277-Y279 PolarHBondContact O-N 3.22Å; Y279-C281 VanDerWaalsContact C-N 3.29Å; Y279-C281 PolarHBondContact O-N 3.07Å
280G92.3Very high74.8Confident54 Ų5473 Ų7356%0.55743%0.427SS*.THydrogen-bonded Turntrans6532.5-178.900000113L276 K277 S282L276-G280 PolarHBondContact O-N 3.05Å; L276-G280 VanDerWaalsContact O-N 3.11Å; K277-G280 PolarHBondContact O-N 3.03Å; G280-S282 PolarHBondContact O-N 3.05Å; G280-S282 VanDerWaalsContact O-N 3.07Å
281C89.3Confident72.2Confident16 Ų1684 Ų8411%0.10847%0.465CS..  trans-58.6113.7-178.7-62.90000110.4C132 L276 Y279C132-C281 HydrophobicContact CB-CB 3.62Å; C132-C281 WeakPolarHBondContact CB-SG 3.47Å; C132-C281 PolarHBondContact N-SG 2.92Å; C132-C281 WeakPolarHBondContact SG-CA 3.16Å; C132-C281 WeakPolarHBondContact SG-CB 3.28Å; C132-C281 CovalentContact SG-SG 2.03Å; C132-C281 PolarHBondContact SG-SG 3.2Å; L276-C281 HydrophobicContact CB-CB 4.32Å; L276-C281 HydrophobicContact CD2-CB 3.46Å; L276-C281 VanDerWaalsContact CD2-CB 3.46Å; L276-C281 HydrophobicContact CG-CB 4.49Å; L276-C281 PolarHBondContact O-N 2.91Å; Y279-C281 VanDerWaalsContact C-N 3.29Å; Y279-C281 PolarHBondContact O-N 3.07Å
282S79.9Confident69.5Low78 Ų7887 Ų8755%0.54550%0.497SS..  trans-64.6138.4176.2-69.40000111G280 S284G280-S282 PolarHBondContact O-N 3.05Å; G280-S282 VanDerWaalsContact O-N 3.07Å; S282-S284 PolarHBondContact O-N 3.14Å
283P61.1Low66.9Low131 Ų13191 Ų9185%0.85153%0.527SS*.SBendtrans-68.53.7175.429.1-35.6000113.7
284S46.3Very low64Low90 Ų9097.4 Ų97.463%0.62955%0.553SS**  trans-107.269.8-179.560.70000112.1S282S282-S284 PolarHBondContact O-N 3.14Å
285G45.7Very low61.6Low50 Ų50101.6 Ų101.652%0.51559%0.59SS.*SBendtrans-60.4157.7137.400000109R287G285-R287 PolarHBondContact O-N 3.01Å
286P38.4Very low58.6Low135 Ų135110 Ų11088%0.87763%0.629SS**  trans-61.8102.4-176.625.4-33.8000110.4P288P286-P288 WeakPolarHBondContact O-CD 3.49Å
287R39.5Very low56.2Low216 Ų216113.1 Ų113.182%0.81566%0.656SS**  trans-61.3123.9162.8-72.3-174.3176.8-168.8-1.2106.6G285 R289G285-R287 PolarHBondContact O-N 3.01Å; R287-R289 PolarHBondContact O-N 3.02Å
288P39.6Very low53.5Low124 Ų124113.6 Ų113.681%0.80567%0.669SS**  trans-52.9133.1166.3-2232.9000108P286 G290P286-P288 WeakPolarHBondContact O-CD 3.49Å; P288-G290 PolarHBondContact O-N 2.89Å
289R40.4Very low50.9Low255 Ų255116.5 Ų116.596%0.96270%0.702SS**  trans-72.669.4176.1-72.5-172.3178.1-166.21.4109.9R287 R291R287-R289 PolarHBondContact O-N 3.02Å; R289-R291 PolarHBondContact O-N 2.79Å; R289-R291 VanDerWaalsContact O-N 3.16Å
290G38Very low48Very low67 Ų67127.7 Ų127.769%0.69174%0.744SS**  trans-68.1105169.600000109.4P288 G292P288-G290 PolarHBondContact O-N 2.89Å; G290-G292 PolarHBondContact O-N 3.33Å
291R44.3Very low45.2Very low249 Ų249130.1 Ų130.194%0.9475%0.753SS**  trans-56.4128.5165.4-175.4178.2-75.5-141.1-1107.4R289R289-R291 PolarHBondContact O-N 2.79Å; R289-R291 VanDerWaalsContact O-N 3.16Å
292G40Very low42.8Very low64 Ų64133.3 Ų133.366%0.6677%0.773SS**  trans-71.4152.2-162.700000114.4G290G290-G292 PolarHBondContact O-N 3.33Å
293S43.4Very low41.1Very low117 Ų117132.6 Ų132.682%0.81877%0.772SS**  trans165.4137.9139.9-76.80000110.7
294Q36Very low40.7Very low189 Ų189132.2 Ų132.288%0.88376%0.762SS**  trans67.8133166.4-62-171.9-6.400119.1
295A44.8Very low41.5Very low97 Ų97128.6 Ų128.680%0.80274%0.738SS**  trans-85.312417400000109.9
296H34.9Very low42.6Very low177 Ų177126.9 Ų126.982%0.81972%0.718SS**  trans-133.3137.2150.4-100.2-74.4000109.3T298H296-T298 PolarHBondContact O-N 3.31Å; H296-T298 VanDerWaalsContact O-N 3.13Å
297S44.3Very low44.2Very low124 Ų124125.8 Ų125.887%0.86771%0.71SS**  trans-73.597.5179.6166.30000110.6
298T36.7Very low45.8Very low128 Ų128117.6 Ų117.679%0.78569%0.686SS**  trans-130.2149.7162.952.90000110.3H296 R300H296-T298 PolarHBondContact O-N 3.31Å; H296-T298 VanDerWaalsContact O-N 3.13Å; T298-R300 PolarHBondContact O-N 3.3Å
299G40.2Very low47.7Very low74 Ų74111.9 Ų111.976%0.76365%0.649SS**  trans-54.2130.6-164.200000114.5S301G299-S301 PolarHBondContact O-N 2.82Å; G299-S301 VanDerWaalsContact O-N 3.09Å
300R32.2Very low49.5Very low246 Ų246102.3 Ų102.393%0.92862%0.615SS**  trans-70101.9174.2-176.9179.4-175.5-179-0.3109.5T298T298-R300 PolarHBondContact O-N 3.3Å
301S33.9Very low51.4Low106 Ų106105.9 Ų105.974%0.74161%0.614SS**PPolyproline II helixtrans-53129.5169.3-57.40000109.8G299G299-S301 PolarHBondContact O-N 2.82Å; G299-S301 VanDerWaalsContact O-N 3.09Å
302P38.3Very low53.1Low82 Ų8297 Ų9753%0.53259%0.585SS.*PPolyproline II helixtrans-67.5155-179.428.1-33.9000110.6R129 L304R129-P302 HydrophobicContact CG-CB 4.42Å; P302-L304 PolarHBondContact O-N 2.81Å
303A44.9Very low55.2Low63 Ų6394.9 Ų94.952%0.52156%0.558SS.*PPolyproline II helixtrans-60.6121.8160.800000107.6
304L53.1Low57Low124 Ų12494.6 Ų94.665%0.64954%0.544SS*.PPolyproline II helixtrans-63.8154.5178-79.885.6000110.4P302P302-L304 PolarHBondContact O-N 2.81Å
305A61.9Low59.1Low14 Ų1488.3 Ų88.312%0.11652%0.524CS..PPolyproline II helixtrans-58.5165166.400000110.7A125 L309 Q310A125-A305 HydrophobicContact CB-CB 4.35Å; A305-L309 HydrophobicContact CB-CB 4.31Å; A305-L309 HydrophobicContact CB-CD2 4.28Å; A305-L309 HydrophobicContact CB-CG 4.38Å; A305-Q310 HydrophobicContact CB-CB 4.36Å
306S69.8Low60.7Low14 Ų1485 Ų8510%0.09849%0.493CS..PPolyproline II helixtrans-52.1142.5169.359.10000109.9E128 S308 L309 Q310E128-S306 PolarHBondContact OE1-OG 3.29Å; E128-S306 VanDerWaalsContact OE2-CB 3.27Å; E128-S306 WeakPolarHBondContact OE2-CB 3.5Å; E128-S306 PolarHBondContact OE2-N 3.07Å; E128-S306 PolarHBondContact OE2-OG 3.08Å; S306-S308 PolarHBondContact O-N 3.2Å; S306-S308 VanDerWaalsContact O-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.13Å; S306-L309 PolarHBondContact O-N 3.29Å; S306-L309 VanDerWaalsContact OG-CB 3.28Å; S306-L309 WeakPolarHBondContact OG-CB 3.3Å; S306-L309 PolarHBondContact OG-N 2.88Å; S306-Q310 WeakPolarHBondContact O-CB 3.44Å; S306-Q310 PolarHBondContact O-N 3.32Å
307P72.7Confident62.8Low111 Ų11178.6 Ų78.672%0.72147%0.468SS*.Hα-helixtrans-53.5-34.8-178.1-28.735.6000113.3Q311P307-Q311 VanDerWaalsContact O-CB 3.23Å; P307-Q311 WeakPolarHBondContact O-CB 3.42Å; P307-Q311 PolarHBondContact O-N 3.41Å
308S71.9Confident64.2Low45 Ų4575.3 Ų75.332%0.31545%0.448SS..Hα-helixtrans-63.6-43174.341.10000114.1S306 L312S306-S308 PolarHBondContact O-N 3.2Å; S306-S308 VanDerWaalsContact O-N 3.07Å; S306-S308 PolarHBondContact OG-OG 3.13Å; S308-L312 PolarHBondContact O-N 3.17Å
309L79.9Confident65.9Low3 Ų375.6 Ų75.62%0.01644%0.441CS..Hα-helixtrans-77.9-37.8179.7-176.960.2000111.3L121 L124 A125 E128 A305 S306 L312 L313L121-L309 HydrophobicContact CB-CD1 4.07Å; L121-L309 HydrophobicContact CD2-CD1 3.67Å; L121-L309 HydrophobicContact CG-CD1 4.41Å; L124-L309 HydrophobicContact CB-CD1 4.29Å; L124-L309 HydrophobicContact CB-CD2 3.73Å; L124-L309 HydrophobicContact CD1-CD1 4.13Å; A125-L309 HydrophobicContact CB-CD2 3.83Å; E128-L309 HydrophobicContact CG-CD2 4.16Å; E128-L309 WeakPolarHBondContact OE2-CD2 3.49Å; A305-L309 HydrophobicContact CB-CB 4.31Å; A305-L309 HydrophobicContact CB-CD2 4.28Å; A305-L309 HydrophobicContact CB-CG 4.38Å; S306-L309 PolarHBondContact O-N 3.29Å; S306-L309 VanDerWaalsContact OG-CB 3.28Å; S306-L309 WeakPolarHBondContact OG-CB 3.3Å; S306-L309 PolarHBondContact OG-N 2.88Å; L309-L312 PolarHBondContact O-N 2.83Å; L309-L313 HydrophobicContact CG-CD1 4.32Å; L309-L313 WeakPolarHBondContact O-CG 3.31Å; L309-L313 PolarHBondContact O-N 3.27Å
310Q77.6Confident67.1Low55 Ų5575.9 Ų75.926%0.25743%0.431SS..Hα-helixtrans-59.1-47.1173.8-171.965.935.200110.8A305 S306 L312 L313 E314A305-Q310 HydrophobicContact CB-CB 4.36Å; S306-Q310 WeakPolarHBondContact O-CB 3.44Å; S306-Q310 PolarHBondContact O-N 3.32Å; Q310-L312 VanDerWaalsContact C-N 3.29Å; Q310-L312 PolarHBondContact O-N 3.12Å; Q310-L313 PolarHBondContact O-N 3.18Å; Q310-E314 WeakPolarHBondContact CG-OE1 3.33Å; Q310-E314 PolarHBondContact NE2-OE1 2.79Å; Q310-E314 WeakPolarHBondContact O-CB 3.43Å; Q310-E314 WeakPolarHBondContact O-CG 3.48Å; Q310-E314 PolarHBondContact O-N 3.44Å
311Q79.7Confident68.7Low141 Ų14173.8 Ų73.866%0.65942%0.423SS*.Hα-helixtrans-60.9-36.1175.1-174.6178.37.300112.5P307 A315P307-Q311 VanDerWaalsContact O-CB 3.23Å; P307-Q311 WeakPolarHBondContact O-CB 3.42Å; P307-Q311 PolarHBondContact O-N 3.41Å; Q311-A315 WeakPolarHBondContact O-CB 3.42Å; Q311-A315 PolarHBondContact O-N 2.72Å
312L79.6Confident69.4Low62 Ų6272.8 Ų72.833%0.32542%0.416SS..Hα-helixtrans-68.7-42.3177.2-131.578.3000112.1L121 S308 L309 Q310 A315 L316L121-L312 HydrophobicContact CD1-CB 4.25Å; L121-L312 HydrophobicContact CD1-CD2 3.82Å; L121-L312 HydrophobicContact CD1-CG 4.28Å; L121-L312 HydrophobicContact CD2-CD2 3.62Å; L121-L312 HydrophobicContact CG-CD2 4.38Å; S308-L312 PolarHBondContact O-N 3.17Å; L309-L312 PolarHBondContact O-N 2.83Å; Q310-L312 VanDerWaalsContact C-N 3.29Å; Q310-L312 PolarHBondContact O-N 3.12Å; L312-A315 PolarHBondContact O-N 3.04Å; L312-L316 WeakPolarHBondContact O-CG 3.34Å; L312-L316 PolarHBondContact O-N 2.89Å
313L82.6Confident69.8Low21 Ų2174.6 Ų74.611%0.1143%0.428CS..Hα-helixtrans-65.9-39.1175.3-73.2165.1000111.9L121 E122 A125 L309 Q310 S317L121-L313 HydrophobicContact CB-CD2 3.58Å; L121-L313 HydrophobicContact CB-CG 4.14Å; E122-L313 HydrophobicContact CG-CD2 4.37Å; A125-L313 HydrophobicContact CB-CD1 4.17Å; L309-L313 HydrophobicContact CG-CD1 4.32Å; L309-L313 WeakPolarHBondContact O-CG 3.31Å; L309-L313 PolarHBondContact O-N 3.27Å; Q310-L313 PolarHBondContact O-N 3.18Å; L313-S317 VanDerWaalsContact O-CB 3.31Å; L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 3.36Å; L313-S317 PolarHBondContact O-OG 2.73Å
314E83Confident69.6Low110 Ų11078.4 Ų78.451%0.51444%0.44SS..Hα-helixtrans-68.5-37.4177.2-76171.1-169.300112.1Q310 S317 A318Q310-E314 WeakPolarHBondContact CG-OE1 3.33Å; Q310-E314 PolarHBondContact NE2-OE1 2.79Å; Q310-E314 WeakPolarHBondContact O-CB 3.43Å; Q310-E314 WeakPolarHBondContact O-CG 3.48Å; Q310-E314 PolarHBondContact O-N 3.44Å; E314-S317 PolarHBondContact O-N 3.17Å; E314-A318 WeakPolarHBondContact O-CB 3.2Å; E314-A318 PolarHBondContact O-N 3.16Å
315A79.1Confident69.2Low57 Ų5778.8 Ų78.847%0.47145%0.45SS..Hα-helixtrans-60.9-49.9174.600000112.1Q311 L312 S317 A318 E319Q311-A315 WeakPolarHBondContact O-CB 3.42Å; Q311-A315 PolarHBondContact O-N 2.72Å; L312-A315 PolarHBondContact O-N 3.04Å; A315-S317 VanDerWaalsContact C-N 3.29Å; A315-S317 PolarHBondContact O-N 3.13Å; A315-A318 PolarHBondContact O-N 3.48Å; A315-A318 VanDerWaalsContact O-N 3.08Å; A315-E319 PolarHBondContact O-N 2.96Å
316L78.4Confident68.4Low27 Ų2783.3 Ų83.314%0.14148%0.48CS..Hα-helixtrans-64.4-34.8176.1-60176.9000112.2E114 R117 Q118 L121 L312 A318 S320E114-L316 HydrophobicContact CG-CB 4.45Å; E114-L316 HydrophobicContact CG-CD2 4.19Å; E114-L316 VanDerWaalsContact OE1-CA 3.27Å; E114-L316 WeakPolarHBondContact OE1-CA 3.5Å; E114-L316 WeakPolarHBondContact OE1-CB 3.16Å; E114-L316 VanDerWaalsContact OE1-CD2 3.3Å; E114-L316 WeakPolarHBondContact OE1-CD2 3.5Å; R117-L316 HydrophobicContact CB-CD1 3.74Å; Q118-L316 HydrophobicContact CB-CD1 4.49Å; L121-L316 HydrophobicContact CD1-CD1 3.48Å; L121-L316 VanDerWaalsContact CD1-CD1 3.48Å; L312-L316 WeakPolarHBondContact O-CG 3.34Å; L312-L316 PolarHBondContact O-N 2.89Å; L316-A318 PolarHBondContact O-N 3.11Å; L316-S320 WeakPolarHBondContact O-CB 3.35Å; L316-S320 PolarHBondContact O-N 2.94Å; L316-S320 VanDerWaalsContact O-N 3.16Å; L316-S320 PolarHBondContact O-OG 2.73Å
317S78.5Confident66.8Low43 Ų4386.4 Ų86.430%0.30152%0.515SS..Hα-helixtrans-69-17.1175-60.80000113.6L313 E314 A315 R321L313-S317 VanDerWaalsContact O-CB 3.31Å; L313-S317 WeakPolarHBondContact O-CB 3.33Å; L313-S317 PolarHBondContact O-N 3.36Å; L313-S317 PolarHBondContact O-OG 2.73Å; E314-S317 PolarHBondContact O-N 3.17Å; A315-S317 VanDerWaalsContact C-N 3.29Å; A315-S317 PolarHBondContact O-N 3.13Å; S317-R321 WeakPolarHBondContact O-CD 3.24Å; S317-R321 WeakPolarHBondContact O-CG 3.37Å; S317-R321 PolarHBondContact O-NE 3.12Å
318A74.4Confident65.1Low55 Ų5587.3 Ų87.346%0.45552%0.524SS..Hα-helixtrans-93.5-42.2176.200000111.7E314 A315 L316 R321 S322E314-A318 WeakPolarHBondContact O-CB 3.2Å; E314-A318 PolarHBondContact O-N 3.16Å; A315-A318 PolarHBondContact O-N 3.48Å; A315-A318 VanDerWaalsContact O-N 3.08Å; L316-A318 PolarHBondContact O-N 3.11Å; A318-R321 PolarHBondContact O-N 3.37Å; A318-R321 VanDerWaalsContact O-N 3.15Å; A318-S322 PolarHBondContact O-N 2.93Å; A318-S322 PolarHBondContact O-OG 2.72Å
319E72Confident63.6Low135 Ų13591.3 Ų91.363%0.63155%0.552SS**Hα-helixtrans-58.1-52.8176.1-156.378-172.400110.2E114 A315 R321 S322E114-E319 WeakPolarHBondContact OE1-CB 3.08Å; A315-E319 PolarHBondContact O-N 2.96Å; E319-R321 PolarHBondContact O-N 2.85Å; E319-S322 WeakPolarHBondContact O-CB 3.35Å; E319-S322 PolarHBondContact O-N 3.26Å; E319-S322 PolarHBondContact O-OG 2.94Å
320S65.3Low61.6Low79 Ų7996 Ų9655%0.55259%0.591SS**THydrogen-bonded Turntrans-62.4-7.1176.259.80000116.2L316L316-S320 WeakPolarHBondContact O-CB 3.35Å; L316-S320 PolarHBondContact O-N 2.94Å; L316-S320 VanDerWaalsContact O-N 3.16Å; L316-S320 PolarHBondContact O-OG 2.73Å
321R66.6Low59.7Low203 Ų20397.5 Ų97.577%0.76662%0.621SS**THydrogen-bonded Turntrans-105.3-3.8174.7-70.9-179.6-172-172.82.9113.7S317 A318 E319 P323S317-R321 WeakPolarHBondContact O-CD 3.24Å; S317-R321 WeakPolarHBondContact O-CG 3.37Å; S317-R321 PolarHBondContact O-NE 3.12Å; A318-R321 PolarHBondContact O-N 3.37Å; A318-R321 VanDerWaalsContact O-N 3.15Å; E319-R321 PolarHBondContact O-N 2.85Å; R321-P323 WeakPolarHBondContact O-CD 3.37Å
322S47.3Very low57.5Low85 Ų8594.7 Ų94.759%0.59463%0.63SS**PPolyproline II helixtrans-74.7119.8178.2-64.40000109.9A318 E319A318-S322 PolarHBondContact O-N 2.93Å; A318-S322 PolarHBondContact O-OG 2.72Å; E319-S322 WeakPolarHBondContact O-CB 3.35Å; E319-S322 PolarHBondContact O-N 3.26Å; E319-S322 PolarHBondContact O-OG 2.94Å
323P47.2Very low55.2Low120 Ų120101.2 Ų101.278%0.77966%0.659SS**PPolyproline II helixtrans-73138.6179.3-14.229.4000111.5R321R321-P323 WeakPolarHBondContact O-CD 3.37Å
324D41.8Very low53.3Low143 Ų143105.6 Ų105.677%0.76569%0.688SS**PPolyproline II helixtrans-55.7135.2167.3-86.8-48000111S326D324-S326 PolarHBondContact O-N 3.13Å
325P43.2Very low50.8Low132 Ų132107.1 Ų107.186%0.85771%0.705SS**SBendtrans-79.562.9179.133.8-35.9000111.6
326S46.6Very low49Very low108 Ų108110.3 Ų110.376%0.75572%0.721SS**  trans-147.7112168.366.20000112.2D324D324-S326 PolarHBondContact O-N 3.13Å
327G36.3Very low46.8Very low80 Ų80115.8 Ų115.883%0.82576%0.755SS**  trans147.252.117600000117.3
328S36.8Very low44.4Very low130 Ų130116.8 Ų116.891%0.90977%0.772SS**  trans-119100.6164.7-72.10000110
329S38.8Very low42.8Very low129 Ų129120.6 Ų120.690%0.90279%0.792SS**  trans-90.1121.7175.3-176.60000110.4
330A39.7Very low40.7Very low101 Ų101117.4 Ų117.484%0.83580%0.796SS**  trans-136.3131.9166.200000108.1
331G37.9Very low39Very low87 Ų87123.1 Ų123.190%0.89781%0.813SS**  trans-87.3165.7-159.400000116.8
332G31.6Very low37.3Very low82 Ų82118.7 Ų118.785%0.84581%0.814SS**  trans-164.7141.3169.800000110.6
333Q31.7Very low36.8Very low199 Ų199120.8 Ų120.893%0.9383%0.825SS**  trans-84.2165.8-173.3-97.6-175-43.700114.3
334P44Very low36Very low112 Ų112126.6 Ų126.673%0.72783%0.832SS**  trans-103.7152.5-161.239-35.2000116.3
335V30.2Very low35.3Very low143 Ų143123.6 Ų123.687%0.86784%0.835SS**  trans-149.4166.2158.7-120.20000108.7
336P41Very low34.4Very low123 Ų123129.1 Ų129.180%0.79984%0.839SS**  -110.3171.1-120.530.1-12.1000116.3
337V32.8Very low33.4Very low143 Ų143132.7 Ų132.787%0.86784%0.843SS**  trans-76.2138.1-171.5175.10000113.8
338G28Very low33Very low64 Ų64134.4 Ų134.466%0.6684%0.843SS**  trans-119.4149.1150.800000109.6
339P40.3Very low32.8Very low135 Ų135133.5 Ų133.588%0.87783%0.833SS**  trans-91.6148-159.635.1-35.9000114.7
340G28.3Very low32.4Very low68 Ų68132.6 Ų132.670%0.70182%0.822SS**  trans176.892.9171.700000116.5
341E29.2Very low31.9Very low198 Ų198136.3 Ų136.393%0.92583%0.827SS**  trans67.2146.7149.1-55.8-168.6109.700122.2
342S30.7Very low31.4Very low111 Ų111140.7 Ų140.778%0.77682%0.822SS**PPolyproline II helixtrans-84.3146.1-177.9-61.50000113.5
343P36.1Very low31.3Very low129 Ų129146.5 Ų146.584%0.83882%0.824SS**PPolyproline II helixtrans-76.2135.6173.931.2-33.4000112.1
344R30.9Very low31Very low242 Ų242145.2 Ų145.291%0.91382%0.822SS**PPolyproline II helixtrans-84.7154.9168-59.8-180-158-129.5-0.6110
345G26.5Very low30Very low80 Ų80145.9 Ų145.983%0.82583%0.829SS**PPolyproline II helixtrans-62.1154.8178.800000113.7
346W24Very low29.9Very low248 Ų248143.4 Ų143.494%0.93982%0.824SS**  trans-105.9111.8-178.7-167.5-70000110
347E26.4Very low29.2Very low183 Ų183146.7 Ų146.786%0.85583%0.829SS**PPolyproline II helixtrans-96153.4172.2-74-162.7118.800112.1
348S28Very low28.9Very low116 Ų116145 Ų14581%0.81183%0.83SS**PPolyproline II helixtrans-89.4136.6-172.9-170.30000112.8
349P31.8Very low28.9Very low110 Ų110148 Ų14871%0.71484%0.841SS**PPolyproline II helixtrans-85.6127.9-173.4-10.228.3000116.1
350V30.7Very low28.4Very low110 Ų110146.2 Ų146.267%0.66784%0.837SS**  trans78.596.8136.8-174.20000119.4K352V350-K352 HydrophobicContact CG1-CB 4.19Å; V350-K352 HydrophobicContact CG1-CD 4.06Å; V350-K352 HydrophobicContact CG1-CG 3.85Å
351L28.8Very low28.3Very low180 Ų180155 Ų15594%0.94285%0.849SS**  trans-79.2140.4136.8-101.3156.9000109.7
352K28.6Very low28.2Very low179 Ų179154.4 Ų154.478%0.77885%0.847SS**  trans-132.1112.8170.8-106.5178.6-176.2177.20113.1V350V350-K352 HydrophobicContact CG1-CB 4.19Å; V350-K352 HydrophobicContact CG1-CD 4.06Å; V350-K352 HydrophobicContact CG1-CG 3.85Å
353K29.3Very low28.4Very low203 Ų203155.1 Ų155.188%0.88385%0.849SS**  trans35.5123.3148.2-74.8-174.3170.2-174.10119.8
354L26Very low28.1Very low173 Ų173158 Ų15891%0.90685%0.851SS**  -144.5118.9127.4-101.9166.8000108.7
355S23.2Very low27.9Very low125 Ų125153 Ų15387%0.87485%0.847SS**  trans-160.6106.1172.1-68.50000110.6
356A26.6Very low28Very low91 Ų91157.5 Ų157.575%0.75285%0.852SS**  trans174135.516900000105.5
357E27.2Very low28.3Very low192 Ų192149.8 Ų149.890%0.89784%0.841SS**  cis-153.6147-7.6-91.2167.7115.100107.1
358A26.8Very low28.5Very low108 Ų108146.4 Ų146.489%0.89384%0.838SS**  trans-160.7103.7158.300000109.8
359S27.2Very low28.6Very low128 Ų128146 Ų14690%0.89584%0.835SS**PPolyproline II helixtrans-90.2127.7-178-172.80000111.6
360A30.1Very low29.4Very low97 Ų97146 Ų14680%0.80284%0.835SS**PPolyproline II helixtrans-89.3132.7176.600000111.3
361R26.2Very low29.3Very low252 Ų252152.2 Ų152.295%0.95185%0.846SS**PPolyproline II helixtrans-85.7129.9168.1-80.2-176.7170.9-168.7-2.4110.5
362Q26.4Very low29.4Very low186 Ų186149.3 Ų149.387%0.86984%0.841SS**  trans-114.7149.1157.6-98-178.8-37.200110
363P35.8Very low29.6Very low126 Ų126152.3 Ų152.382%0.81885%0.847SS**  trans-82.1152.7-173.533.1-35000112.9
364Q30.3Very low30.6Very low188 Ų188148.5 Ų148.588%0.87984%0.843SS**  trans-84.3148.6-178.7-65.4-177.6-8.100113.1
365T26.6Very low30.8Very low137 Ų137143.8 Ų143.884%0.8484%0.837SS**  trans-104.3138.5162.548.10000110
366L28.6Very low31.2Very low175 Ų175143 Ų14392%0.91684%0.838SS**  trans-139.6150.3166.4-136.292000108.9
367A29.8Very low31.2Very low87 Ų87142.7 Ų142.772%0.71984%0.844SS**  trans-124.6143.6-164.800000115.5
368S30.9Very low31.6Very low112 Ų112138.2 Ų138.278%0.78384%0.839SS**  trans93.1137.4141.880.30000122.2
369S29Very low32.6Very low107 Ų107139.2 Ų139.275%0.74884%0.837SS**  trans101154149.9-50.70000118.8
370P48.6Very low32.7Very low111 Ų111136.2 Ų136.272%0.72183%0.826SS**  -141.2174.8-71.739.1-21000116.5
371R30.1Very low32.8Very low240 Ų240140 Ų14091%0.90683%0.831SS**  trans71.2142.6170.9-54.2-178.3175.9-167.6-2114.7
372S29.9Very low32.9Very low119 Ų119132 Ų13283%0.83282%0.819SS**  cis-153162.535.9-58.40000114.1
373R33Very low33.2Very low241 Ų241131.5 Ų131.591%0.90982%0.817SS**  trans-99.5-178.5164.4-112.1-172.7179.6-178.20.6109.1
374P50.7Low32.9Very low123 Ų123134.5 Ų134.580%0.79982%0.82SS**  cis-141.3-179.514.142.1-22.9000118
375G28.8Very low33Very low75 Ų75133.7 Ų133.777%0.77382%0.816SS**  trans110.7143.4152.100000115.8
376A31.8Very low33.2Very low109 Ų109132 Ų13290%0.90181%0.809SS**  cis-163.4158.1-16.800000108.8
377G28.4Very low33.2Very low84 Ų84134.2 Ų134.287%0.86681%0.806SS**  trans109112161.900000118.5
378A34.3Very low33.3Very low97 Ų97137.5 Ų137.580%0.80281%0.81SS**  trans-125.3172.3151.300000107
379P48.9Very low33.3Very low129 Ų129136.9 Ų136.984%0.83881%0.813SS**  cis-112.6-163.70.743-29.3000112
380G28.9Very low33.3Very low66 Ų66135.6 Ų135.668%0.6882%0.816SS**  cis129.9159.4-10.300000115.6
381I31.1Very low32.4Very low175 Ų175135.4 Ų135.490%0.89782%0.824SS**  trans85.6144.2175.6-58.4-178.7000118.3
382A28.9Very low32.3Very low85 Ų85130 Ų13070%0.70282%0.823SS**  trans72.3107169.400000117.8
383Q32.6Very low32.4Very low175 Ų175131.1 Ų131.182%0.81883%0.825SS**  62.6110.666.7-171.4178.21.400114.1
384E30Very low32.5Very low189 Ų189128.5 Ų128.588%0.88382%0.823SS**  trans-146136.9152.5-141.5177.2144.100111.8
385Q31.7Very low32Very low171 Ų171128.6 Ų128.680%0.79982%0.823SS**  trans-121.3134.3166.6-69174-32.500106.3
386S30.6Very low32.2Very low101 Ų101131.8 Ų131.871%0.70683%0.828SS**  trans-176.5130.9139-162.60000113.9
387W29.8Very low32.3Very low223 Ų223130.7 Ų130.785%0.84582%0.819SS**  trans2.8150.8136.5-49.993.1000119.9
388L32Very low33.1Very low155 Ų155133 Ų13381%0.81282%0.818SS**  -162.4155.154.9-87.2167.1000115
389A31.1Very low32.9Very low100 Ų100133.9 Ų133.983%0.82682%0.819SS**  trans57.1146.8149.300000120.7
390G28.6Very low32.1Very low80 Ų80132.4 Ų132.483%0.82581%0.812SS**  cis147112.5-5.700000112.5
391A29.7Very low32.3Very low106 Ų106137.8 Ų137.888%0.87682%0.819SS**  trans-164.3121.8162.900000110
392S28.2Very low32.4Very low127 Ų127134.6 Ų134.689%0.88882%0.819SS**  trans-107.5144.2171.3-61.20000109.6
393T32.3Very low32.4Very low143 Ų143134 Ų13488%0.87782%0.821SS**  trans-127.3121.8169.835.30000110.3
394E34.7Very low32.4Very low186 Ų186133.9 Ų133.987%0.86982%0.824SS**PPolyproline II helixtrans-78.7156.2169.8-75.6-176.2116.600111.5
395P40Very low32.5Very low124 Ų124133.3 Ų133.381%0.80582%0.822SS**PPolyproline II helixtrans-86137.6175.633.7-33.1000113
396T32Very low33.1Very low142 Ų142130.1 Ų130.187%0.87182%0.815SS**PPolyproline II helixtrans-77.1142.6-177.2-39.50000113.6
397A33.9Very low33Very low86 Ų86132.1 Ų132.171%0.71182%0.823SS**PPolyproline II helixtrans-78.7154.2170.100000112.6
398P45.9Very low33.1Very low132 Ų132126.5 Ų126.586%0.85782%0.818SS**PPolyproline II helixtrans-84.2147.2178.333.9-34.3000113
399S30.9Very low33.1Very low117 Ų117125.1 Ų125.182%0.81882%0.815SS**PPolyproline II helixtrans-94.2155-178.856.70000113.9
400S31.1Very low33.1Very low98 Ų98129.2 Ų129.269%0.68582%0.817SS**  trans-67.2176.6157.362.10000110.5
401E33.6Very low33.1Very low179 Ų179128.7 Ų128.784%0.83681%0.813SS**  cis-162.2152.33.2-145.1173.213800108.4
402A33.6Very low33.3Very low108 Ų108129.6 Ų129.689%0.89381%0.812SS**  trans-163.2104.1158.300000110.2
403G28.6Very low34.2Very low71 Ų71130 Ų13073%0.73281%0.812SS**  trans-104.9152-178.200000114
404I31.7Very low34.3Very low174 Ų174127.6 Ų127.689%0.89281%0.806SS**  trans-135.1130155.7-58.5-178.1000107.8
405Q33.5Very low34.3Very low177 Ų177126.9 Ų126.983%0.82781%0.808SS**  trans-125.6177.4176.3-87.2-161.817.600108.6
406P44Very low34.6Very low103 Ų103126.7 Ų126.767%0.66981%0.806SS**  cis-131.4175.6-4135.7-20.8000111.4
407V29Very low34.6Very low143 Ų143123.9 Ų123.987%0.86781%0.806SS**  trans-135.1140.8157.6-176.30000109.7
408S30.1Very low34.4Very low105 Ų105123.3 Ų123.373%0.73481%0.809SS**  trans-148.4-178.5175.1-85.40000108.8
409V32.1Very low33.6Very low126 Ų126123.3 Ų123.376%0.76481%0.81SS**  trans86.6128.5-171.8-174.80000110.8
410Q30.8Very low34.1Very low186 Ų186124.3 Ų124.387%0.86981%0.811SS**  cis-149.5169.6-3.3-108.8152.13.400106
411G29.5Very low34.8Very low70 Ų70125.4 Ų125.472%0.72282%0.816SS**  cis131.7100.816.100000109.6
412S33.5Very low34.8Very low124 Ų124119.7 Ų119.787%0.86781%0.805SS**PPolyproline II helixtrans-95.6142.2177-58.40000111.8
413P48.5Very low34.7Very low135 Ų135121.6 Ų121.688%0.87780%0.8SS**PPolyproline II helixtrans-88154-176.333.7-34.3000115.2
414A34Very low35.1Very low93 Ų93126 Ų12677%0.76980%0.801SS**PPolyproline II helixtrans-70.2165.2-167.900000118.6
415L33.8Very low35.2Very low172 Ų172126.6 Ų126.690%0.90180%0.798SS**  trans-130.8154.3140.8-79177000110
416P47.4Very low35.3Very low119 Ų119127 Ų12777%0.77380%0.797SS**  trans-117.9160.1-157.340.6-30.4000116.9
417G30.7Very low34.9Very low84 Ų84125.3 Ų125.387%0.86680%0.798SS**  trans81.1130.815800000116.4
418G29.9Very low35.2Very low74 Ų74130.7 Ų130.776%0.76380%0.803SS**  cis116.3106.7-2.900000113.4
419C29.2Very low35.5Very low131 Ų131130.7 Ų130.789%0.88580%0.803SS**  trans-172121.2153.8-114.90000112
420V42.2Very low36.1Very low138 Ų138133.2 Ų133.284%0.83680%0.804SS**  trans-144.5134.1163.6175.20000108.5
421P45.3Very low37Very low121 Ų121135.7 Ų135.779%0.78682%0.823SS**  trans-122.4149.8144.235.6-25.4000110.2
422G32.6Very low37.4Very low60 Ų60139 Ų13962%0.61983%0.828SS**  cis119.780.13.400000113
423N33.3Very low37.6Very low148 Ų148139.8 Ų139.879%0.79183%0.826SS**  161136.3128.5-85.2-12.6000116.5
424H36.2Very low37Very low163 Ų163140.1 Ų140.176%0.75582%0.823SS**  trans31.8131.5141.4-64.8-70.8000122.7
425F33Very low37.1Very low186 Ų186142.8 Ų142.882%0.81683%0.826SS**  -159.5173.294.7-124.6-103.9000114.7
426K36.5Very low37.3Very low186 Ų186141 Ų14181%0.80982%0.822SS**  trans-67.9161.6-163.7-68.9164.2173.8168.80117.1
427G35.4Very low36.7Very low68 Ų68142.5 Ų142.570%0.70183%0.825SS**  trans-105.9-146.5167.300000115.2
428R35Very low37.1Very low256 Ų256146.6 Ų146.697%0.96682%0.822SS**  trans90.3147.1-156-72-169.2176.3-157.30.3111.9
429S36.5Very low37.6Very low104 Ų104152.2 Ų152.273%0.72783%0.827SS**  cis-149.5170.9-2.7-178.10000109.5
430K44Very low38.3Very low180 Ų180154 Ų15478%0.78382%0.822SS**  trans-46.5145.1155.1-56.8173.1173.9-177.30111.5
431D50.2Low38Very low238 Ų238155.5 Ų155.5100%1.27382%0.82SS**  -143095-81.2-31.7000110

Retrieved 431 of 431 residues in 294.9 ms (Link to these results)