A0A2K6AC89_MANLE Loading...

Transcription factor E2F8

AlphaFold DB , UniProt , Accession A0A2K6AC89, Species MANLE (Mandrillus leucophaeus, Drill), Gene E2F8, Length 867 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
1M30.7Very low35.6Very low234 Ų234159 Ų159100%1.15379%0.786SS**  0123.60-73161.5170.700106.9
2E39.3Very low36.4Very low164 Ų164155.2 Ų155.277%0.76678%0.781SS**  trans17.6149.8131-60.1-170104.700120.3
3N35.9Very low36.1Very low114 Ų114153.3 Ų153.361%0.6177%0.768SS**  cis-155.9133-13.4-89.3-23.4000105
4E37.8Very low36.4Very low172 Ų172154.9 Ų154.980%0.80477%0.768SS**  76.3135.767.6-70.9-150.3152.500116.5
5K43.4Very low36.3Very low151 Ų151161.7 Ų161.766%0.65778%0.781SS**  -165.2145.5-57.2-113.4175.9175.3-75.40112
6E44.9Very low36.2Very low138 Ų138155.9 Ų155.965%0.64578%0.777SS**  trans27.7143139.6-69.5148.7-155.400122.4
7N32.5Very low36.1Very low160 Ų160155.8 Ų155.886%0.85678%0.779SS**  -159.4149.9111.2-110-78.4000113.7
8L39.9Very low36Very low156 Ų156156.4 Ų156.482%0.81778%0.781SS**  trans-153.1142.9-178.6-83.7159.8000106.6
9F28.2Very low35.8Very low200 Ų200158.8 Ų158.888%0.87779%0.786SS**  trans-168.3170.6153.6-132.7-120.8000116.6
10C30.1Very low35.5Very low118 Ų118157.2 Ų157.280%0.79779%0.786SS**  trans-127.5-176.5174.2-74.10000111.4
11E28.8Very low36.3Very low142 Ų142154.9 Ų154.966%0.66478%0.782SS**  trans-54.6165.9175.9-116.7-145.6103.600114.8H13E11-H13 IonicContact OE1-CE1 2.69Å; E11-H13 IonicContact OE1-CG 3.19Å; E11-H13 PolarHBondContact OE1-N 2.82Å; E11-H13 VanDerWaalsContact OE1-N 3.17Å; E11-H13 IonicContact OE1-ND1 2.76Å; E11-H13 PolarHBondContact OE1-ND1 2.73Å
12P45.6Very low36.3Very low113 Ų113150.3 Ų150.373%0.73476%0.762SS**  cis-156.3166.246.543.9-21.4000122.7
13H31.8Very low35.9Very low131 Ų131149.8 Ų149.861%0.60676%0.757SS**  trans33119.1142.7-88.665.2000128.4E11E11-H13 IonicContact OE1-CE1 2.69Å; E11-H13 IonicContact OE1-CG 3.19Å; E11-H13 PolarHBondContact OE1-N 2.82Å; E11-H13 VanDerWaalsContact OE1-N 3.17Å; E11-H13 IonicContact OE1-ND1 2.76Å; E11-H13 PolarHBondContact OE1-ND1 2.73Å
14K40.7Very low35.7Very low175 Ų175151.4 Ų151.476%0.76176%0.76SS**  26.5129.5127.5-59.4175.6-174.7156.50126.1
15R34.8Very low35.3Very low257 Ų257147.8 Ų147.897%0.9775%0.754SS**  -177.7164.3128.4-121.7175.5-81.7-158.8-3.6109.2
16G34.7Very low34.7Very low70 Ų70146.3 Ų146.372%0.72276%0.758SS**  cis161.91702.300000108.5
17L34.7Very low34Very low153 Ų153145.7 Ų145.780%0.80176%0.764SS**  cis-173.3100.4-13.8-178.570.1000113.2
18M34.1Very low33.9Very low167 Ų167141.9 Ų141.982%0.82375%0.754SS**  trans63.4144.7156.6-55-71-174.500122.5
19K32.9Very low33.5Very low203 Ų203141.2 Ų141.288%0.88375%0.752SS**  171.4143.4113.4-91.3168.5-176179.20118.3
20T28.5Very low33.6Very low126 Ų126137.8 Ų137.877%0.77374%0.741SS**  trans-72.7-170.5174.553.20000116.6
21P52.8Low33.5Very low108 Ų108138 Ų13870%0.70174%0.738SS**  cis-141.1-158.4-46.936.6-14000114
22L30.1Very low33.5Very low139 Ų139137.6 Ų137.673%0.72874%0.74SS**  trans109.8128.2131.3-15159.6000122.6
23K32.1Very low32.7Very low152 Ų152137.3 Ų137.366%0.66174%0.737SS**  trans60.3163.3148-81.8-172.9179.4-71.50121.2
24E31.1Very low32.5Very low148 Ų148138.6 Ų138.669%0.69274%0.743SS**  cis-171.8158.7-33.9-144.4162.3-12100111.7
25S30.8Very low32.2Very low97 Ų97136.7 Ų136.768%0.67874%0.74SS**  trans70.3153.6146.7-165.90000122.4
26T30.3Very low32.1Very low120 Ų120132.8 Ų132.874%0.73673%0.733SS**  trans89.3104.7155.2-29.70000115.3
27T29.2Very low32.6Very low125 Ų125133.8 Ų133.877%0.76773%0.726SS**  cis102.2146.530.5-61.80000112.3
28A30.8Very low32.4Very low79 Ų79132.7 Ų132.765%0.65372%0.721SS**  trans79.8145.5176.900000113.2
29N32.4Very low32.1Very low143 Ų143133.7 Ų133.777%0.76572%0.721SS**  cis158.7158.60.3-103.1-6000103.8
30I29.4Very low32.1Very low128 Ų128127.4 Ų127.466%0.65671%0.714SS**  cis-165.8148-2.2-135.2163.4000107.1
31V28.2Very low32.9Very low121 Ų121127 Ų12773%0.73371%0.713SS**  trans61.4141.5137.4147.90000118.9
32L29.2Very low31.8Very low135 Ų135128.8 Ų128.871%0.70772%0.717SS**  cis-166.5158.219.8-133171.7000110.6
33T28.3Very low32Very low107 Ų107127.5 Ų127.566%0.65672%0.715SS**  trans62.7153152.533.20000120.8
34E28.2Very low31.9Very low157 Ų157126.2 Ų126.273%0.73472%0.72SS**  cis-155.9143.5-13.2-141.8170.1147.500112.8
35I33.1Very low32.5Very low135 Ų135124.4 Ų124.469%0.69272%0.721SS**  trans48.2119.4144.3-74.8174.2000123.4
36Q32.8Very low32.6Very low176 Ų176126 Ų12682%0.82273%0.726SS**  trans76.2161.2144-88.9-153.530.300121.8
37P46Very low32.9Very low91 Ų91129.7 Ų129.759%0.59173%0.732SS**  -139.7-169.9-90.939.4-16.2000116.2
38D29.9Very low33.3Very low129 Ų129129 Ų12969%0.6973%0.73SS**  trans86.7143.8142-96.7-4.4000123.3
39F29.1Very low33.7Very low188 Ų188134.5 Ų134.583%0.82574%0.739SS**  trans22.1114.4163.7-60.8-72000120.7
40G31.6Very low33.6Very low71 Ų71137.2 Ų137.273%0.73275%0.747SS**  168.9151.2129.400000119.5
41P45.4Very low34Very low117 Ų117134.7 Ų134.776%0.7675%0.753SS**  trans-139.6-171.2-135.237.9-16.1000116.1
42L29.6Very low34.1Very low147 Ų147134.7 Ų134.777%0.7776%0.758SS**  trans88.9141155.3-65.4165.4000121.4
43T33.7Very low34.4Very low112 Ų112137.9 Ų137.969%0.68777%0.769SS**  trans66103.7145.946.10000119.9
44T30.3Very low35.2Very low125 Ų125136.6 Ų136.677%0.76778%0.777SS**  79.9154.773.857.80000115.7
45P44.5Very low35.5Very low110 Ų110137.6 Ų137.671%0.71478%0.782SS**  cis-137.4-163.8-20.634.1-12.8000113.9
46T31.6Very low36.2Very low130 Ų130136.1 Ų136.180%0.79878%0.781SS**  trans97.2126.2158.3-39.80000117.1
47K37.8Very low37.2Very low198 Ų198135.8 Ų135.886%0.86177%0.773SS**  trans-161.2123.6169.2-170.9173.6-173.81750113.3
48P37.8Very low38.2Very low111 Ų111134.5 Ų134.572%0.72176%0.763SS**  trans-114.4172.4147.137.5-29.3000111.4
49K37.9Very low39.4Very low194 Ų194133.7 Ų133.784%0.84377%0.765SS**  cis-169.861.7-39.6-171.7-147.7174.1-173.80109.5
50E31Very low40.9Very low200 Ų200128.8 Ų128.894%0.93575%0.75SS**  trans-159.6156.7172.5-111158.5176.600109.9
51G37.6Very low42.6Very low75 Ų75127.3 Ų127.377%0.77373%0.731SS**  cis15562.2-8.100000115
52S30.5Very low43.3Very low120 Ų120125 Ų12584%0.83971%0.713SS**  trans-137.7127178.159.40000113.7
53Q35.8Very low45.1Very low202 Ų202122.7 Ų122.794%0.94470%0.7SS**  trans-33.7154.7177.1-59.1168.3-28.300118.5
54G44.4Very low46.4Very low80 Ų80124.4 Ų124.483%0.82570%0.698SS**  trans120.567.8137.900000118.8
55E34.8Very low48.5Very low178 Ų178122.7 Ų122.783%0.83268%0.683SS**  trans-114.5146.3155.6-91.3-159.2119.700111.3
56P48.8Very low49.6Very low104 Ų104122.7 Ų122.768%0.67568%0.676SS**  trans-71.2156.4-179.830.6-35.4000112.1T58P56-T58 PolarHBondContact O-N 3.26Å
57W52.8Low51.1Low170 Ų170121.9 Ų121.964%0.64467%0.666SS**  trans-68.986.4-177.8-79.241.7000112.4M65W57-M65 HydrophobicContact CH2-CE 3.86Å; W57-M65 HydrophobicContact CH2-SD 3.41Å; W57-M65 WeakPolarHBondContact CH2-SD 3.46Å; W57-M65 HydrophobicContact CZ2-SD 4.34Å; W57-M65 HydrophobicContact CZ3-CE 3.68Å; W57-M65 HydrophobicContact CZ3-SD 3.81Å
58T66.4Low52Low64 Ų64117 Ų11739%0.39366%0.657SS.*  trans-59.1155.5168.757.60000111.1P56 T60 A61 N62P56-T58 PolarHBondContact O-N 3.26Å; T58-T60 PolarHBondContact O-N 2.87Å; T58-T60 VanDerWaalsContact O-N 3.14Å; T58-A61 WeakPolarHBondContact O-CB 3.41Å; T58-A61 PolarHBondContact O-N 3.48Å; T58-A61 PolarHBondContact OG1-N 3.06Å; T58-N62 PolarHBondContact O-N 3.22Å
59P56.1Low53.1Low111 Ų111115.4 Ų115.472%0.72165%0.653SS**Hα-helixtrans-54.2-32.8172.7-26.935.8000112.6N62 L63P59-N62 WeakPolarHBondContact O-CB 3.39Å; P59-N62 PolarHBondContact O-N 2.96Å; P59-L63 WeakPolarHBondContact O-CB 3.4Å; P59-L63 PolarHBondContact O-N 2.94Å
60T61.3Low53.9Low86 Ų86109.9 Ų109.953%0.52864%0.635SS.*Hα-helixtrans-68.3-35.4175.5-340000112.9T58 K64T58-T60 PolarHBondContact O-N 2.87Å; T58-T60 VanDerWaalsContact O-N 3.14Å; T60-K64 WeakPolarHBondContact O-CB 3.33Å; T60-K64 WeakPolarHBondContact O-CG 3.41Å; T60-K64 PolarHBondContact O-N 3.35Å
61A67.2Low54.8Low39 Ų39103.8 Ų103.832%0.32261%0.614SS.*Hα-helixtrans-70-44173.600000111.4T58 L63 K64 M65T58-A61 WeakPolarHBondContact O-CB 3.41Å; T58-A61 PolarHBondContact O-N 3.48Å; T58-A61 PolarHBondContact OG1-N 3.06Å; A61-L63 VanDerWaalsContact C-N 3.34Å; A61-L63 PolarHBondContact O-N 3.3Å; A61-K64 PolarHBondContact O-N 3.44Å; A61-M65 WeakPolarHBondContact O-CB 3.49Å; A61-M65 PolarHBondContact O-N 3.14Å
62N60.3Low55.8Low70 Ų70104.2 Ų104.237%0.37460%0.603SS.*Hα-helixtrans-54.2-49.5170.4-91.9-72000111.5T58 P59 M65 L66T58-N62 PolarHBondContact O-N 3.22Å; P59-N62 WeakPolarHBondContact O-CB 3.39Å; P59-N62 PolarHBondContact O-N 2.96Å; N62-M65 PolarHBondContact O-N 3.13Å; N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 PolarHBondContact O-N 3.36Å
63L66.6Low56.7Low97 Ų97104.5 Ų104.551%0.50859%0.592SS.*Hα-helixtrans-64.5-41179.7-177.560.4000112.3P59 A61 L66 I67P59-L63 WeakPolarHBondContact O-CB 3.4Å; P59-L63 PolarHBondContact O-N 2.94Å; A61-L63 VanDerWaalsContact C-N 3.34Å; A61-L63 PolarHBondContact O-N 3.3Å; L63-L66 PolarHBondContact O-N 3.43Å; L63-I67 HydrophobicContact CD1-CD1 3.9Å; L63-I67 HydrophobicContact CD1-CG1 4.21Å; L63-I67 HydrophobicContact CG-CD1 3.81Å; L63-I67 WeakPolarHBondContact O-CB 3.21Å; L63-I67 VanDerWaalsContact O-CG1 3.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.22Å; L63-I67 PolarHBondContact O-N 3.11Å
64K60.1Low57.8Low148 Ų14899.3 Ų99.364%0.64357%0.569SS**Hα-helixtrans-63.5-43.8174.7-79.8178.4177.1-178.50112.1T60 A61 I67 S68T60-K64 WeakPolarHBondContact O-CB 3.33Å; T60-K64 WeakPolarHBondContact O-CG 3.41Å; T60-K64 PolarHBondContact O-N 3.35Å; A61-K64 PolarHBondContact O-N 3.44Å; K64-I67 PolarHBondContact O-N 3.36Å; K64-S68 WeakPolarHBondContact O-CB 3.36Å; K64-S68 PolarHBondContact O-N 3.15Å; K64-S68 PolarHBondContact O-OG 2.89Å
65M74.4Confident58.5Low90 Ų90103 Ų10344%0.44356%0.558SS.*Hα-helixtrans-60.6-49.2174.7-174.8-16969.700110.5W57 A61 N62 I67 S68 A69W57-M65 HydrophobicContact CH2-CE 3.86Å; W57-M65 HydrophobicContact CH2-SD 3.41Å; W57-M65 WeakPolarHBondContact CH2-SD 3.46Å; W57-M65 HydrophobicContact CZ2-SD 4.34Å; W57-M65 HydrophobicContact CZ3-CE 3.68Å; W57-M65 HydrophobicContact CZ3-SD 3.81Å; A61-M65 WeakPolarHBondContact O-CB 3.49Å; A61-M65 PolarHBondContact O-N 3.14Å; N62-M65 PolarHBondContact O-N 3.13Å; M65-I67 PolarHBondContact O-N 3.38Å; M65-S68 WeakPolarHBondContact CA-OG 3.36Å; M65-S68 CarbonylContact O-C 3.59Å; M65-S68 PolarHBondContact O-N 3.24Å; M65-S68 VanDerWaalsContact O-N 3.08Å; M65-S68 PolarHBondContact O-OG 3.43Å; M65-A69 WeakPolarHBondContact O-CB 3.36Å; M65-A69 PolarHBondContact O-N 3.08Å
66L68.8Low59.4Low110 Ų11099.3 Ų99.358%0.57654%0.544SS*.Hα-helixtrans-58.2-46.9179.4-164.474.9000111.3N62 L63 S68 A69 V70N62-L66 WeakPolarHBondContact O-CB 3.33Å; N62-L66 PolarHBondContact O-N 3.36Å; L63-L66 PolarHBondContact O-N 3.43Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3.14Å; L66-A69 PolarHBondContact O-N 2.91Å; L66-A69 VanDerWaalsContact O-N 3.14Å; L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 3.08Å; L66-V70 VanDerWaalsContact O-N 3.15Å
67I62.4Low60Low113 Ų113102.4 Ų102.458%0.57954%0.543SS*.Hα-helixtrans-62.1-37.1175.6-71168.5000111.8L63 K64 M65 A69L63-I67 HydrophobicContact CD1-CD1 3.9Å; L63-I67 HydrophobicContact CD1-CG1 4.21Å; L63-I67 HydrophobicContact CG-CD1 3.81Å; L63-I67 WeakPolarHBondContact O-CB 3.21Å; L63-I67 VanDerWaalsContact O-CG1 3.22Å; L63-I67 WeakPolarHBondContact O-CG1 3.22Å; L63-I67 PolarHBondContact O-N 3.11Å; K64-I67 PolarHBondContact O-N 3.36Å; M65-I67 PolarHBondContact O-N 3.38Å; I67-A69 VanDerWaalsContact C-N 3.31Å
68S57.8Low60Low96 Ų9698.3 Ų98.367%0.67153%0.533SS*.Hα-helixtrans-74.8-19.2175.869.80000114.2K64 M65 L66K64-S68 WeakPolarHBondContact O-CB 3.36Å; K64-S68 PolarHBondContact O-N 3.15Å; K64-S68 PolarHBondContact O-OG 2.89Å; M65-S68 WeakPolarHBondContact CA-OG 3.36Å; M65-S68 CarbonylContact O-C 3.59Å; M65-S68 PolarHBondContact O-N 3.24Å; M65-S68 VanDerWaalsContact O-N 3.08Å; M65-S68 PolarHBondContact O-OG 3.43Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 3.14Å
69A60Low59.2Low77 Ų77101.1 Ų101.164%0.63654%0.542SS*.Hα-helixtrans-93.1-12179.100000113.4M65 L66 I67M65-A69 WeakPolarHBondContact O-CB 3.36Å; M65-A69 PolarHBondContact O-N 3.08Å; L66-A69 PolarHBondContact O-N 2.91Å; L66-A69 VanDerWaalsContact O-N 3.14Å; I67-A69 VanDerWaalsContact C-N 3.31Å
70V54.8Low59Low78 Ų78103.6 Ų103.647%0.47354%0.541SS..SBendtrans-77.4137.5166.6-153.60000109.3L66 I74L66-V70 WeakPolarHBondContact O-CG2 3.41Å; L66-V70 PolarHBondContact O-N 3.08Å; L66-V70 VanDerWaalsContact O-N 3.15Å; V70-I74 HydrophobicContact CB-CD1 4.12Å; V70-I74 HydrophobicContact CG1-CD1 3.44Å; V70-I74 VanDerWaalsContact CG1-CD1 3.44Å; V70-I74 HydrophobicContact CG1-CG1 4.44Å
71S49.7Very low58.5Low72 Ų72107.1 Ų107.150%0.50355%0.545SS..  trans-53.9152.5-163.8-48.80000115.8E73 I74S71-E73 VanDerWaalsContact CB-OE2 3.24Å; S71-E73 WeakPolarHBondContact CB-OE2 3.39Å; S71-E73 PolarHBondContact O-N 2.89Å; S71-I74 PolarHBondContact O-N 3.41Å
72P57.8Low57.1Low83 Ų83108.6 Ų108.654%0.53956%0.564SS.*Hα-helixtrans-49.5-27.4-177.9-29.937000115.9I74 R75 N76P72-I74 VanDerWaalsContact C-N 3.27Å; P72-I74 PolarHBondContact O-N 3.15Å; P72-R75 PolarHBondContact O-N 3.46Å; P72-R75 VanDerWaalsContact O-N 3.15Å; P72-N76 PolarHBondContact O-N 3.41Å; P72-N76 VanDerWaalsContact O-N 3.11Å
73E50.6Low56.1Low127 Ų127112.2 Ų112.259%0.59358%0.582SS**Hα-helixtrans-46.3-45.2176.4-78.250.3-114.200112.9S71 N76 R77S71-E73 VanDerWaalsContact CB-OE2 3.24Å; S71-E73 WeakPolarHBondContact CB-OE2 3.39Å; S71-E73 PolarHBondContact O-N 2.89Å; E73-N76 PolarHBondContact O-N 2.87Å; E73-R77 WeakPolarHBondContact O-CB 3.43Å; E73-R77 PolarHBondContact O-N 3.05Å
74I58Low54.7Low93 Ų93115.8 Ų115.848%0.47759%0.594SS.*Hα-helixtrans-67.1-44.6-176-57.7-172.2000110.2V70 S71 P72 N76 R77 D78V70-I74 HydrophobicContact CB-CD1 4.12Å; V70-I74 HydrophobicContact CG1-CD1 3.44Å; V70-I74 VanDerWaalsContact CG1-CD1 3.44Å; V70-I74 HydrophobicContact CG1-CG1 4.44Å; S71-I74 PolarHBondContact O-N 3.41Å; P72-I74 VanDerWaalsContact C-N 3.27Å; P72-I74 PolarHBondContact O-N 3.15Å; I74-N76 VanDerWaalsContact C-N 3.3Å; I74-N76 PolarHBondContact O-N 2.92Å; I74-R77 PolarHBondContact O-N 2.97Å; I74-R77 VanDerWaalsContact O-N 3.16Å; I74-D78 PolarHBondContact O-N 3.04Å
75R58.8Low53.3Low156 Ų156115.7 Ų115.759%0.58960%0.6SS**Hα-helixtrans-62.3-37.8178.4-174.6172.659.377.4-3.2111.7P72 Q79P72-R75 PolarHBondContact O-N 3.46Å; P72-R75 VanDerWaalsContact O-N 3.15Å; R75-Q79 WeakPolarHBondContact O-CB 3.43Å; R75-Q79 WeakPolarHBondContact O-CG 3.44Å; R75-Q79 PolarHBondContact O-N 2.93Å; R75-Q79 VanDerWaalsContact O-N 3.08Å
76N54.8Low51.3Low101 Ų101119 Ų11954%0.5462%0.62SS.*Hα-helixtrans-65.5-45.4174.3-163.1-34.9000111.1P72 E73 I74 D78 Q79 K80P72-N76 PolarHBondContact O-N 3.41Å; P72-N76 VanDerWaalsContact O-N 3.11Å; E73-N76 PolarHBondContact O-N 2.87Å; I74-N76 VanDerWaalsContact C-N 3.3Å; I74-N76 PolarHBondContact O-N 2.92Å; N76-D78 VanDerWaalsContact C-N 3.27Å; N76-D78 PolarHBondContact O-N 3.16Å; N76-Q79 PolarHBondContact O-N 2.97Å; N76-K80 WeakPolarHBondContact O-CB 3.47Å; N76-K80 PolarHBondContact O-N 3.24Å
77R60.5Low49.5Very low170 Ų170125.5 Ų125.564%0.64264%0.637SS**Hα-helixtrans-66.3-22.9-176.2-148.6-174.378.7154.50.7115E73 I74 R81E73-R77 WeakPolarHBondContact O-CB 3.43Å; E73-R77 PolarHBondContact O-N 3.05Å; I74-R77 PolarHBondContact O-N 2.97Å; I74-R77 VanDerWaalsContact O-N 3.16Å; R77-R81 PolarHBondContact O-NH2 3.39Å
78D53.2Low48.1Very low83 Ų83125.9 Ų125.944%0.44465%0.65SS.*Hα-helixtrans-101.1-29.9177.2-70.3-20.2000113.2I74 N76 K80 R81 G82I74-D78 PolarHBondContact O-N 3.04Å; N76-D78 VanDerWaalsContact C-N 3.27Å; N76-D78 PolarHBondContact O-N 3.16Å; D78-K80 VanDerWaalsContact C-N 3.26Å; D78-K80 PolarHBondContact O-N 3.18Å; D78-R81 WeakPolarHBondContact O-CA 3.24Å; D78-R81 WeakPolarHBondContact O-CB 3.46Å; D78-R81 PolarHBondContact O-N 2.76Å; D78-R81 IonicContact OD1-NE 3.61Å; D78-R81 PolarHBondContact OD1-NE 3.17Å; D78-G82 PolarHBondContact O-N 3.45Å
79Q50.4Low46.7Very low123 Ų123125.2 Ų125.258%0.57566%0.658SS**Hα-helixtrans-58.3-41.3165.3-77.7-176.8-14.500111.2R75 N76 R81 G82R75-Q79 WeakPolarHBondContact O-CB 3.43Å; R75-Q79 WeakPolarHBondContact O-CG 3.44Å; R75-Q79 PolarHBondContact O-N 2.93Å; R75-Q79 VanDerWaalsContact O-N 3.08Å; N76-Q79 PolarHBondContact O-N 2.97Å; Q79-R81 PolarHBondContact O-N 3.16Å; Q79-R81 VanDerWaalsContact O-N 3.13Å; Q79-G82 PolarHBondContact O-N 3.19Å
80K51.7Low45.2Very low164 Ų164129.5 Ų129.571%0.71367%0.669SS**Hα-helixtrans-71.2-0.8174.6-145.7168.4-170.8172.90114.3N76 D78N76-K80 WeakPolarHBondContact O-CB 3.47Å; N76-K80 PolarHBondContact O-N 3.24Å; D78-K80 VanDerWaalsContact C-N 3.26Å; D78-K80 PolarHBondContact O-N 3.18Å
81R49.5Very low44.8Very low160 Ų160130.7 Ų130.760%0.60468%0.679SS**Hα-helixtrans-111.9-20177.9-161.9-176.3-55-72.5-15.8113.1R77 D78 Q79R77-R81 PolarHBondContact O-NH2 3.39Å; D78-R81 WeakPolarHBondContact O-CA 3.24Å; D78-R81 WeakPolarHBondContact O-CB 3.46Å; D78-R81 PolarHBondContact O-N 2.76Å; D78-R81 IonicContact OD1-NE 3.61Å; D78-R81 PolarHBondContact OD1-NE 3.17Å; Q79-R81 PolarHBondContact O-N 3.16Å; Q79-R81 VanDerWaalsContact O-N 3.13Å
82G38.2Very low43.8Very low69 Ų69136.8 Ų136.871%0.71170%0.699SS**Hα-helixtrans-87.4-9.7177.400000115.5D78 Q79D78-G82 PolarHBondContact O-N 3.45Å; Q79-G82 PolarHBondContact O-N 3.19Å
83L40.9Very low42.7Very low147 Ų147137.3 Ų137.377%0.7771%0.71SS**SBendtrans-100.135.7-173.5-156.872.9000113.9
84F35.8Very low41.7Very low172 Ų172140 Ų14075%0.75472%0.72SS**  trans-142.864.1177.4-75.5-70.9000112.8
85D32.1Very low40.5Very low145 Ų145142.4 Ų142.478%0.77573%0.734SS**SBendtrans-151.5139.3154.2-100.2-42.1000109.5
86N30.4Very low39Very low159 Ų159145.7 Ų145.785%0.8575%0.748SS**  trans69.776.7175.5-56.2-65000120
87R31Very low38.1Very low247 Ų247148 Ų14893%0.93276%0.758SS**  -152.4133.2124.1-175.6164.4-72.9-1130.7110.7
88S33.8Very low36.6Very low122 Ų122148.4 Ų148.485%0.85377%0.767SS**  trans-90.5137.6170.640.50000110.9
89G28.2Very low35.5Very low81 Ų81150.8 Ų150.884%0.83578%0.776SS**  trans167.7131.4179.600000111.5
90L29.8Very low34.5Very low167 Ų167153.1 Ų153.187%0.87479%0.786SS**  trans-141.4152.8-173.8173.975.8000106.7
91P45.4Very low33.7Very low104 Ų104152.5 Ų152.568%0.67579%0.79SS**  cis-119.9177.1-11.536.8-22.2000113.7
92E30Very low32.9Very low200 Ų200149.6 Ų149.694%0.93579%0.794SS**  -167.4-174119.7-111-170.9148.700112.1
93A33.7Very low32.7Very low94 Ų94149.9 Ų149.978%0.77780%0.798SS**  trans-131.6-176.8-158.100000115.2
94K29.8Very low32.1Very low183 Ų183150.8 Ų150.880%0.79680%0.803SS**  trans82110.3176.7-66.4178.5175.11730117.9
95D33.1Very low32.4Very low143 Ų143150.3 Ų150.377%0.76580%0.803SS**  30.4122.7115.2-38.5-44000118.5
96Y27.6Very low32.7Very low225 Ų225152.5 Ų152.588%0.88281%0.806SS**  -154.2130.4124-126.4-85.6000111.2
97I34.8Very low33Very low149 Ų149153.4 Ų153.476%0.76481%0.805SS**  trans-86126163-65.1-70.6000107
98H30.1Very low33.5Very low179 Ų179150.7 Ų150.783%0.82980%0.8SS**  trans-137.5126159.8-16261.4000109.5
99E28.3Very low33.8Very low134 Ų134149.3 Ų149.363%0.62679%0.789SS**  trans-76.8153.7176.3-60.7-167.7141.800110.6
100H29.7Very low34.5Very low171 Ų171153.8 Ų153.879%0.79279%0.789SS**  trans-138.279.2155-167.2-76.7000109.6S102H100-S102 PolarHBondContact O-N 3.48Å; H100-S102 VanDerWaalsContact O-N 3.14Å
101L35.7Very low35.3Very low152 Ų152149 Ų14980%0.79677%0.767SS**  trans-69.2103.3170-73.9168.2000109.6
102S31.9Very low36.2Very low98 Ų98146.3 Ų146.369%0.68575%0.752SS**  trans-143.1120.6156-172.50000107.1H100H100-S102 PolarHBondContact O-N 3.48Å; H100-S102 VanDerWaalsContact O-N 3.14Å
103G35.5Very low37.8Very low76 Ų76147 Ų14778%0.78475%0.746SS**  trans-81.9141.2-173.100000112.6
104D28.3Very low39.5Very low165 Ų165150.4 Ų150.488%0.88274%0.743SS**  trans-143.8119.5137-141.9-0.7000106.7
105E42.3Very low41.3Very low163 Ų163146.6 Ų146.676%0.76273%0.728SS**  trans-84174.8175.3-74.2-144.1120.300110.6
106F37.8Very low43.3Very low191 Ų191148 Ų14884%0.83873%0.727SS**  trans82.610.7175.5-53.7-76.5000119.3K108F106-K108 PolarHBondContact O-N 3.23Å
107E36.9Very low46Very low178 Ų178139.2 Ų139.283%0.83270%0.698SS**  trans-7078142.1-93.5-106.2131.200108.8C109E107-C109 PolarHBondContact O-N 3.39Å
108K40.8Very low48.4Very low189 Ų189132.9 Ų132.982%0.82267%0.666SS**  trans-68.176.8172.3-175.4-178.6179174.40109.4F106 Q110F106-K108 PolarHBondContact O-N 3.23Å; K108-Q110 PolarHBondContact O-N 3.29Å
109C40.4Very low51.1Low93 Ų93124.9 Ų124.963%0.62863%0.632SS**  trans-46124.7176.4-86.40000110.3E107 P111E107-C109 PolarHBondContact O-N 3.39Å; C109-P111 WeakPolarHBondContact O-CD 3.01Å; C109-P111 VanDerWaalsContact O-N 3.11Å
110Q43.3Very low53.9Low175 Ų175122.8 Ų122.882%0.81862%0.624SS**  trans-50.8117.8175.6-81.6-73.8-10.900109.2K108 S112K108-Q110 PolarHBondContact O-N 3.29Å; Q110-S112 PolarHBondContact O-N 3.05Å
111P45.5Very low56.6Low66 Ų66115.3 Ų115.343%0.42959%0.59SS.*  trans-52.4112.2-169.4-30.935.5000111.1C109 R113 E115C109-P111 WeakPolarHBondContact O-CD 3.01Å; C109-P111 VanDerWaalsContact O-N 3.11Å; P111-R113 PolarHBondContact O-N 3.34Å; P111-E115 WeakPolarHBondContact CA-OE2 3.32Å
112S65.2Low59.1Low49 Ų49108 Ų10834%0.34355%0.552SS.*  trans-58.9141-168.1-168.90000109Q110 K114 E115 K116Q110-S112 PolarHBondContact O-N 3.05Å; S112-K114 PolarHBondContact O-N 3.5Å; S112-E115 WeakPolarHBondContact CA-OE1 3.11Å; S112-E115 WeakPolarHBondContact CB-OE1 3.35Å; S112-E115 PolarHBondContact N-OE1 3.16Å; S112-E115 PolarHBondContact N-OE2 2.88Å; S112-E115 WeakPolarHBondContact O-CB 3.34Å; S112-E115 PolarHBondContact O-N 3.26Å; S112-K116 PolarHBondContact O-N 2.96Å
113R63.7Low61.6Low215 Ų215107.9 Ų107.981%0.81154%0.54SS*.THydrogen-bonded Turntrans-57.2-13.9175.7-166.5179.4171.5-75.8-2.1112.6P111P111-R113 PolarHBondContact O-N 3.34Å
114K68.2Low64Low164 Ų164109.1 Ų109.171%0.71352%0.524SS*.THydrogen-bonded Turntrans-77.6-35.8170.8-62.4-178.5-179.9179.60113.8S112 S117S112-K114 PolarHBondContact O-N 3.5Å; K114-S117 WeakPolarHBondContact O-CB 3.47Å; K114-S117 PolarHBondContact O-N 3.14Å; K114-S117 PolarHBondContact O-OG 2.88Å
115E68.5Low66.7Low103 Ų103101.4 Ų101.448%0.48148%0.483SS..THydrogen-bonded Turntrans-66.5-44.8178.2-67.1146.3-137.100110.7P111 S112 S117P111-E115 WeakPolarHBondContact CA-OE2 3.32Å; S112-E115 WeakPolarHBondContact CA-OE1 3.11Å; S112-E115 WeakPolarHBondContact CB-OE1 3.35Å; S112-E115 PolarHBondContact N-OE1 3.16Å; S112-E115 PolarHBondContact N-OE2 2.88Å; S112-E115 WeakPolarHBondContact O-CB 3.34Å; S112-E115 PolarHBondContact O-N 3.26Å; E115-S117 PolarHBondContact O-N 2.96Å; E115-S117 VanDerWaalsContact O-N 3.16Å
116K74.6Confident68.7Low173 Ų17394.9 Ų94.975%0.75245%0.453SS*.THydrogen-bonded Turntrans-81.521.3173.4-60-174.1179.4-1780113.2S112S112-K116 PolarHBondContact O-N 2.96Å
117S83.9Confident70.8Confident40 Ų4090.1 Ų90.128%0.2845%0.449SS..  trans-81.6145-179.374.60000112.2K114 E115 G119 L120 L121K114-S117 WeakPolarHBondContact O-CB 3.47Å; K114-S117 PolarHBondContact O-N 3.14Å; K114-S117 PolarHBondContact O-OG 2.88Å; E115-S117 PolarHBondContact O-N 2.96Å; E115-S117 VanDerWaalsContact O-N 3.16Å; S117-G119 PolarHBondContact O-N 2.67Å; S117-L120 PolarHBondContact O-N 3.28Å; S117-L120 PolarHBondContact OG-N 3.35Å; S117-L120 VanDerWaalsContact OG-N 3.13Å; S117-L121 PolarHBondContact O-N 3.34Å
118L86.8Confident72.7Confident17 Ų1788.5 Ų88.59%0.08944%0.435CS..Hα-helixtrans-60.6-27175-164.669.2000112.1L121 C122 R156 D159 I160 D317 V321L118-L121 HydrophobicContact CD1-CD2 4.34Å; L118-C122 WeakPolarHBondContact O-CB 2.89Å; L118-C122 PolarHBondContact O-N 2.95Å; L118-R156 HydrophobicContact CD1-CB 3.9Å; L118-R156 HydrophobicContact CD1-CG 4.49Å; L118-D159 HydrophobicContact CD1-CB 4.34Å; L118-D159 HydrophobicContact CD2-CB 4.14Å; L118-I160 HydrophobicContact CD1-CD1 4.02Å; L118-I160 HydrophobicContact CD1-CG1 3.86Å; L118-I160 HydrophobicContact CG-CG1 4.19Å; L118-D317 HydrophobicContact CD2-CB 3.97Å; L118-V321 HydrophobicContact CD2-CG2 3.85Å; L118-V321 HydrophobicContact CG-CG2 4.02Å
119G85.9Confident74.4Confident10 Ų1081.7 Ų81.710%0.10340%0.404CS..Hα-helixtrans-68.2-52.5173.900000112.4S117 L121 C122 H123 S324S117-G119 PolarHBondContact O-N 2.67Å; G119-L121 VanDerWaalsContact C-N 3.26Å; G119-L121 PolarHBondContact O-N 3.18Å; G119-C122 WeakPolarHBondContact O-CB 3.47Å; G119-C122 PolarHBondContact O-N 3.5Å; G119-C122 VanDerWaalsContact O-N 3.07Å; G119-H123 PolarHBondContact O-N 3.27Å; G119-H123 PolarHBondContact O-ND1 3.23Å; G119-S324 VanDerWaalsContact CA-OG 3.28Å; G119-S324 WeakPolarHBondContact CA-OG 3.25Å; G119-S324 PolarHBondContact O-OG 3.14Å
120L86.6Confident76Confident90 Ų9080.9 Ų80.947%0.47140%0.398SS..Hα-helixtrans-62.4-37.2177.2-17462.5000111.5S117 C122 H123 K124S117-L120 PolarHBondContact O-N 3.28Å; S117-L120 PolarHBondContact OG-N 3.35Å; S117-L120 VanDerWaalsContact OG-N 3.13Å; L120-C122 VanDerWaalsContact C-N 3.32Å; L120-C122 PolarHBondContact O-N 3.47Å; L120-H123 PolarHBondContact O-N 2.98Å; L120-K124 PolarHBondContact O-N 2.94Å
121L86.8Confident77.2Confident14 Ų1476 Ų767%0.07338%0.377CS..Hα-helixtrans-59.7-41.4172.9-17066.1000112.4S117 L118 G119 K124 F125 L150 V152 R156 I160S117-L121 PolarHBondContact O-N 3.34Å; L118-L121 HydrophobicContact CD1-CD2 4.34Å; G119-L121 VanDerWaalsContact C-N 3.26Å; G119-L121 PolarHBondContact O-N 3.18Å; L121-K124 PolarHBondContact O-N 2.7Å; L121-F125 WeakPolarHBondContact O-CB 3.41Å; L121-F125 PolarHBondContact O-N 3.16Å; L121-L150 HydrophobicContact CD1-CB 3.75Å; L121-L150 HydrophobicContact CD1-CD1 3.62Å; L121-L150 HydrophobicContact CD1-CD2 4.44Å; L121-L150 HydrophobicContact CD1-CG 4.13Å; L121-L150 HydrophobicContact CG-CD1 4.28Å; L121-V152 HydrophobicContact CD1-CB 4.18Å; L121-V152 HydrophobicContact CD1-CG2 3.73Å; L121-V152 HydrophobicContact CD2-CB 4.36Å; L121-V152 HydrophobicContact CD2-CG1 3.92Å; L121-R156 HydrophobicContact CD2-CB 3.45Å; L121-R156 VanDerWaalsContact CD2-CB 3.45Å; L121-R156 HydrophobicContact CD2-CG 4.36Å; L121-I160 HydrophobicContact CB-CD1 4.04Å; L121-I160 HydrophobicContact CD2-CD1 3.7Å; L121-I160 HydrophobicContact CG-CD1 3.71Å
122C87.4Confident77.9Confident0 Ų080.8 Ų80.80%039%0.388CS..Hα-helixtrans-65.5-40175.1-168.50000111.9L118 G119 L120 F125 L126 I160L118-C122 WeakPolarHBondContact O-CB 2.89Å; L118-C122 PolarHBondContact O-N 2.95Å; G119-C122 WeakPolarHBondContact O-CB 3.47Å; G119-C122 PolarHBondContact O-N 3.5Å; G119-C122 VanDerWaalsContact O-N 3.07Å; L120-C122 VanDerWaalsContact C-N 3.32Å; L120-C122 PolarHBondContact O-N 3.47Å; C122-F125 PolarHBondContact O-N 3.34Å; C122-L126 WeakPolarHBondContact O-CB 3.45Å; C122-L126 WeakPolarHBondContact O-CD1 3.31Å; C122-L126 WeakPolarHBondContact O-CG 3.35Å; C122-L126 PolarHBondContact O-N 3.31Å; C122-I160 HydrophobicContact CB-CD1 4.2Å; C122-I160 HydrophobicContact CB-CG1 4.49Å
123H84.9Confident78.2Confident95 Ų9579 Ų7944%0.4438%0.375SS..Hα-helixtrans-64.7-44.9174.2-67.785.8000111.5G119 L120 F125 L126 A127 S324G119-H123 PolarHBondContact O-N 3.27Å; G119-H123 PolarHBondContact O-ND1 3.23Å; L120-H123 PolarHBondContact O-N 2.98Å; H123-F125 VanDerWaalsContact C-N 3.3Å; H123-F125 PolarHBondContact O-N 3.02Å; H123-L126 PolarHBondContact O-N 3.34Å; H123-A127 WeakPolarHBondContact O-CB 3.2Å; H123-A127 PolarHBondContact O-N 2.88Å; H123-S324 VanDerWaalsContact CE1-CA 3.49Å; H123-S324 WeakPolarHBondContact CE1-CA 3.05Å; H123-S324 WeakPolarHBondContact CE1-CB 3.36Å; H123-S324 PolarHBondContact CE1-OG 2.82Å; H123-S324 WeakPolarHBondContact ND1-CB 3.28Å; H123-S324 PolarHBondContact ND1-OG 2.89Å
124K85.9Confident78.1Confident102 Ų10273.4 Ų73.444%0.44336%0.362SS..Hα-helixtrans-63.3-35.7176.7-170.6179.2167-165.10111.7L120 L121 R128 E149 L150L120-K124 PolarHBondContact O-N 2.94Å; L121-K124 PolarHBondContact O-N 2.7Å; K124-R128 WeakPolarHBondContact O-CG 3.45Å; K124-E149 PolarHBondContact NZ-O 2.93Å; K124-L150 HydrophobicContact CB-CD2 4.14Å; K124-L150 HydrophobicContact CD-CD2 3.53Å; K124-L150 HydrophobicContact CG-CD2 3.59Å
125F86Confident77.8Confident3 Ų370.7 Ų70.71%0.01336%0.361CS..Hα-helixtrans-65.7-50.6172.3-177.7-85.4000111.8L121 C122 H123 A127 R128 Y129 I141 V146 L150 L164 W180L121-F125 WeakPolarHBondContact O-CB 3.41Å; L121-F125 PolarHBondContact O-N 3.16Å; C122-F125 PolarHBondContact O-N 3.34Å; H123-F125 VanDerWaalsContact C-N 3.3Å; H123-F125 PolarHBondContact O-N 3.02Å; F125-A127 VanDerWaalsContact C-N 3.28Å; F125-A127 PolarHBondContact O-N 3.39Å; F125-R128 WeakPolarHBondContact O-CB 3.41Å; F125-R128 PolarHBondContact O-N 3.04Å; F125-Y129 AromaticContact CD1-CD2 3.96Å; F125-Y129 HydrophobicContact CD1-CD2 3.96Å; F125-Y129 HydrophobicContact CD1-CE2 4.37Å; F125-Y129 HydrophobicContact CD2-CD2 4.35Å; F125-Y129 AromaticContact CD2-CE2 3.95Å; F125-Y129 HydrophobicContact CD2-CE2 3.95Å; F125-Y129 AromaticContact CE1-CD2 3.7Å; F125-Y129 HydrophobicContact CE1-CD2 3.7Å; F125-Y129 HydrophobicContact CE1-CE2 4.06Å; F125-Y129 HydrophobicContact CE2-CD2 4.13Å; F125-Y129 AromaticContact CE2-CE2 3.62Å; F125-Y129 HydrophobicContact CE2-CE2 3.62Å; F125-Y129 HydrophobicContact CG-CD2 4.28Å; F125-Y129 HydrophobicContact CG-CE2 4.32Å; F125-Y129 AromaticContact CZ-CD2 3.8Å; F125-Y129 HydrophobicContact CZ-CD2 3.8Å; F125-Y129 AromaticContact CZ-CE2 3.68Å; F125-Y129 HydrophobicContact CZ-CE2 3.68Å; F125-Y129 VanDerWaalsContact O-CD2 3.3Å; F125-Y129 WeakPolarHBondContact O-CD2 3.14Å; F125-Y129 PolarHBondContact O-N 3.2Å; F125-I141 HydrophobicContact CE2-CG2 4.5Å; F125-I141 HydrophobicContact CZ-CD1 3.79Å; F125-V146 HydrophobicContact CD2-CG1 3.78Å; F125-V146 HydrophobicContact CE2-CG1 3.91Å; F125-L150 HydrophobicContact CB-CD1 4.49Å; F125-L150 HydrophobicContact CD2-CD1 4.41Å; F125-L164 HydrophobicContact CD1-CD1 4.11Å; F125-L164 HydrophobicContact CE1-CD1 3.53Å; F125-L164 HydrophobicContact CZ-CD1 4.19Å; F125-W180 HydrophobicContact CE1-CE3 4.35Å; F125-W180 HydrophobicContact CE1-CZ3 4.01Å
126L83.3Confident77.1Confident26 Ų2670 Ų7014%0.13637%0.372CS..Hα-helixtrans-66.3-27.8-179.4-68.4167.1000113C122 H123 R128 Y129 W180 L325C122-L126 WeakPolarHBondContact O-CB 3.45Å; C122-L126 WeakPolarHBondContact O-CD1 3.31Å; C122-L126 WeakPolarHBondContact O-CG 3.35Å; C122-L126 PolarHBondContact O-N 3.31Å; H123-L126 PolarHBondContact O-N 3.34Å; L126-R128 PolarHBondContact O-N 2.63Å; L126-Y129 PolarHBondContact O-N 2.94Å; L126-W180 HydrophobicContact CD2-CH2 3.73Å; L126-W180 HydrophobicContact CD2-CZ3 4.39Å; L126-L325 HydrophobicContact CD1-CD2 3.61Å; L126-L325 HydrophobicContact CD1-CG 4.06Å; L126-L325 HydrophobicContact CD2-CD2 3.8Å; L126-L325 HydrophobicContact CG-CD2 4.36Å
127A83Confident76.7Confident90 Ų9065.9 Ų65.974%0.74436%0.362SS*.THydrogen-bonded Turntrans-69.5-18.5172.900000113.7H123 F125H123-A127 WeakPolarHBondContact O-CB 3.2Å; H123-A127 PolarHBondContact O-N 2.88Å; F125-A127 VanDerWaalsContact C-N 3.28Å; F125-A127 PolarHBondContact O-N 3.39Å
128R76.3Confident75.7Confident145 Ų14571.1 Ų71.155%0.54739%0.387SS..THydrogen-bonded Turntrans-88.4-26.6176-61.1-74.5-87.1175.33.6112.6K124 F125 L126 E149K124-R128 WeakPolarHBondContact O-CG 3.45Å; F125-R128 WeakPolarHBondContact O-CB 3.41Å; F125-R128 PolarHBondContact O-N 3.04Å; L126-R128 PolarHBondContact O-N 2.63Å; R128-E149 IonicContact CZ-OE1 2.72Å; R128-E149 IonicContact CZ-OE2 2.65Å; R128-E149 VanDerWaalsContact CZ-OE2 3.27Å; R128-E149 IonicContact NE-OE2 3.6Å; R128-E149 PolarHBondContact NE-OE2 2.86Å; R128-E149 IonicContact NH2-OE1 3.46Å; R128-E149 PolarHBondContact NH2-OE1 2.88Å; R128-E149 IonicContact NH2-OE2 3.1Å; R128-E149 PolarHBondContact NH2-OE2 2.76Å
129Y76.6Confident75Confident45 Ų4572.1 Ų72.118%0.17639%0.392CS..SBendtrans-114.7116.1-174.2-61.5-66.4000111.9F125 L126 N131 I141 V146 W180F125-Y129 AromaticContact CD1-CD2 3.96Å; F125-Y129 HydrophobicContact CD1-CD2 3.96Å; F125-Y129 HydrophobicContact CD1-CE2 4.37Å; F125-Y129 HydrophobicContact CD2-CD2 4.35Å; F125-Y129 AromaticContact CD2-CE2 3.95Å; F125-Y129 HydrophobicContact CD2-CE2 3.95Å; F125-Y129 AromaticContact CE1-CD2 3.7Å; F125-Y129 HydrophobicContact CE1-CD2 3.7Å; F125-Y129 HydrophobicContact CE1-CE2 4.06Å; F125-Y129 HydrophobicContact CE2-CD2 4.13Å; F125-Y129 AromaticContact CE2-CE2 3.62Å; F125-Y129 HydrophobicContact CE2-CE2 3.62Å; F125-Y129 HydrophobicContact CG-CD2 4.28Å; F125-Y129 HydrophobicContact CG-CE2 4.32Å; F125-Y129 AromaticContact CZ-CD2 3.8Å; F125-Y129 HydrophobicContact CZ-CD2 3.8Å; F125-Y129 AromaticContact CZ-CE2 3.68Å; F125-Y129 HydrophobicContact CZ-CE2 3.68Å; F125-Y129 VanDerWaalsContact O-CD2 3.3Å; F125-Y129 WeakPolarHBondContact O-CD2 3.14Å; F125-Y129 PolarHBondContact O-N 3.2Å; L126-Y129 PolarHBondContact O-N 2.94Å; Y129-N131 PolarHBondContact O-N 3.32Å; Y129-I141 HydrophobicContact CD1-CD1 3.88Å; Y129-I141 HydrophobicContact CD1-CG1 4.21Å; Y129-I141 HydrophobicContact CD2-CD1 3.85Å; Y129-I141 HydrophobicContact CE1-CD1 3.66Å; Y129-I141 HydrophobicContact CE1-CG1 3.62Å; Y129-I141 HydrophobicContact CE2-CD1 3.62Å; Y129-I141 HydrophobicContact CE2-CG1 4.28Å; Y129-I141 HydrophobicContact CG-CD1 3.99Å; Y129-V146 VanDerWaalsContact OH-CG2 3.24Å; Y129-V146 WeakPolarHBondContact OH-CG2 3.43Å; Y129-W180 HydrophobicContact CG-CD2 4.35Å
130P73.7Confident74.8Confident77 Ų7774.2 Ų74.250%0.540%0.401SS..  trans-62.2138.1-175.125.4-34.2000111.4Y132 P133 W180P130-Y132 PolarHBondContact O-N 3.45Å; P130-P133 WeakPolarHBondContact O-CD 3.39Å; P130-W180 PolarHBondContact O-NE1 3.17Å
131N68.8Low74.6Confident71 Ų7170 Ų7038%0.3838%0.379SS..SBendtrans-55-29.4-177.7-78.1-61000113.9Y129 R183Y129-N131 PolarHBondContact O-N 3.32Å; N131-R183 PolarHBondContact O-N 3.23Å
132Y60.9Low74.6Confident167 Ų16770 Ų7066%0.65538%0.379SS*.SBendtrans-12685.1175.7-63.4-82.5000109.1P130 R183P130-Y132 PolarHBondContact O-N 3.45Å; Y132-R183 HydrophobicContact CE1-CB 4.11Å
133P70.3Confident74.5Confident11 Ų1170 Ų707%0.07138%0.38CS..  trans-70.1148.8172.233.3-36.2000109.9P130 P135 N139 W180 H181P130-P133 WeakPolarHBondContact O-CD 3.39Å; P133-P135 WeakPolarHBondContact O-CD 3.43Å; P133-N139 WeakPolarHBondContact CB-OD1 3.26Å; P133-W180 VanDerWaalsContact CG-CD1 3.48Å; P133-W180 HydrophobicContact CG-CG 4.49Å; P133-H181 VanDerWaalsContact CD-O 3.29Å; P133-H181 WeakPolarHBondContact CD-O 3.49Å; P133-H181 WeakPolarHBondContact CG-O 3.4Å
134N62.8Low74.6Confident98 Ų9868.4 Ų68.452%0.52438%0.375SS..  trans-76.6119.6169.3-176-14.2000108.8A136 V137 N139N134-A136 PolarHBondContact O-N 2.88Å; N134-A136 VanDerWaalsContact O-N 3.14Å; N134-A136 WeakPolarHBondContact OD1-CB 3.31Å; N134-A136 PolarHBondContact OD1-N 3.17Å; N134-V137 HydrophobicContact CB-CG2 4.39Å; N134-V137 PolarHBondContact O-N 2.98Å; N134-N139 PolarHBondContact O-ND2 2.78Å
135P60.9Low74.6Confident108 Ų10869.1 Ų69.170%0.70138%0.379SS*.THydrogen-bonded Turntrans-66.7-10.8-179.628.6-36.4000114.1P133 V137P133-P135 WeakPolarHBondContact O-CD 3.43Å; P135-V137 VanDerWaalsContact C-N 3.29Å
136A53.6Low74.6Confident87 Ų8769.1 Ų69.172%0.71938%0.38SS*.THydrogen-bonded Turntrans-77.8-10.517200000113.8N134N134-A136 PolarHBondContact O-N 2.88Å; N134-A136 VanDerWaalsContact O-N 3.14Å; N134-A136 WeakPolarHBondContact OD1-CB 3.31Å; N134-A136 PolarHBondContact OD1-N 3.17Å
137V66.6Low74.9Confident87 Ų8768.7 Ų68.753%0.52738%0.38SS..SBendtrans-97.5142.3171.8-177.70000108.7N134 P135 N139N134-V137 HydrophobicContact CB-CG2 4.39Å; N134-V137 PolarHBondContact O-N 2.98Å; P135-V137 VanDerWaalsContact C-N 3.29Å; V137-N139 VanDerWaalsContact C-N 3.31Å; V137-N139 PolarHBondContact O-N 2.88Å; V137-N139 PolarHBondContact O-ND2 3.14Å
138N61.9Low75.2Confident151 Ų15172.2 Ų72.281%0.80738%0.381SS*.  trans-7385.5174.4-68-47.7000110.1D140N138-D140 PolarHBondContact O-N 3.45Å
139N72.4Confident75.6Confident38 Ų3869.5 Ų69.520%0.20337%0.374CS..  trans-77.355-179.9-58.1-81.7000111.7P133 N134 V137 W180P133-N139 WeakPolarHBondContact CB-OD1 3.26Å; N134-N139 PolarHBondContact O-ND2 2.78Å; V137-N139 VanDerWaalsContact C-N 3.31Å; V137-N139 PolarHBondContact O-N 2.88Å; V137-N139 PolarHBondContact O-ND2 3.14Å; N139-W180 HydrophobicContact CB-CB 4.08Å; N139-W180 WeakPolarHBondContact CB-O 3.43Å; N139-W180 PolarHBondContact O-N 3.04Å
140D81.4Confident75.9Confident54 Ų5468 Ų6829%0.28937%0.369SS..EExtended strand (participates in β ladder)trans-78.9131.1179.8-87.3-3.6000111.7N138 R177 Y178 T179N138-D140 PolarHBondContact O-N 3.45Å; D140-R177 HydrophobicContact CB-CG 4.32Å; D140-R177 VanDerWaalsContact OD2-CD 3.26Å; D140-R177 WeakPolarHBondContact OD2-CD 3.47Å; D140-R177 IonicContact OD2-CZ 2.63Å; D140-R177 IonicContact OD2-NE 2.68Å; D140-R177 IonicContact OD2-NH1 3.04Å; D140-R177 PolarHBondContact OD2-NH1 3.43Å; D140-Y178 CarbonylContact C-O 3.45Å; D140-Y178 WeakPolarHBondContact CA-O 3.33Å; D140-T179 WeakPolarHBondContact OD1-CG2 3.38Å
141I83.4Confident76.5Confident2 Ų271.3 Ų71.31%0.0138%0.383CS..EExtended strand (participates in β ladder)trans-109.1117.9174.3-61.3-172.5000109F125 Y129 L143 V146 R177 Y178 W180F125-I141 HydrophobicContact CE2-CG2 4.5Å; F125-I141 HydrophobicContact CZ-CD1 3.79Å; Y129-I141 HydrophobicContact CD1-CD1 3.88Å; Y129-I141 HydrophobicContact CD1-CG1 4.21Å; Y129-I141 HydrophobicContact CD2-CD1 3.85Å; Y129-I141 HydrophobicContact CE1-CD1 3.66Å; Y129-I141 HydrophobicContact CE1-CG1 3.62Å; Y129-I141 HydrophobicContact CE2-CD1 3.62Å; Y129-I141 HydrophobicContact CE2-CG1 4.28Å; Y129-I141 HydrophobicContact CG-CD1 3.99Å; I141-L143 HydrophobicContact CG2-CD2 4.27Å; I141-V146 HydrophobicContact CG2-CG2 3.88Å; I141-R177 WeakPolarHBondContact O-CA 3.48Å; I141-Y178 PolarHBondContact N-O 3.05Å; I141-Y178 PolarHBondContact O-N 3.35Å; I141-W180 HydrophobicContact CD1-CB 3.78Å; I141-W180 HydrophobicContact CD1-CD2 4.48Å; I141-W180 HydrophobicContact CD1-CE3 4.14Å; I141-W180 HydrophobicContact CD1-CG 4.36Å; I141-W180 HydrophobicContact CG1-CB 4.15Å
142C85.6Confident77.4Confident12 Ų1270.2 Ų70.28%0.08138%0.379CS..EExtended strand (participates in β ladder)trans-88.8124.2167.7-72.40000110.6D144 E145 V146 N176C142-D144 VanDerWaalsContact C-N 3.32Å; C142-D144 PolarHBondContact O-N 3.21Å; C142-E145 HydrophobicContact CB-CB 4.09Å; C142-E145 HydrophobicContact CB-CG 3.97Å; C142-E145 WeakPolarHBondContact CB-OE1 3.18Å; C142-E145 WeakPolarHBondContact CB-OE2 3.42Å; C142-E145 PolarHBondContact SG-OE1 2.97Å; C142-V146 WeakPolarHBondContact O-CG2 3.42Å; C142-V146 PolarHBondContact O-N 3.46Å; C142-N176 CarbonylContact C-O 3.56Å; C142-N176 WeakPolarHBondContact CA-O 3.33Å
143L86.3Confident78.8Confident2 Ų267.9 Ų67.91%0.0137%0.374CS..Hα-helixtrans-73.7-19.7-174.8-56.8-170.8000114.6I141 A147 I157 Y158 V161 N176 Y178I141-L143 HydrophobicContact CG2-CD2 4.27Å; L143-A147 WeakPolarHBondContact O-CB 3.21Å; L143-A147 PolarHBondContact O-N 2.89Å; L143-I157 HydrophobicContact CB-CG2 4.38Å; L143-I157 HydrophobicContact CD2-CG2 3.91Å; L143-Y158 HydrophobicContact CD1-CD1 3.87Å; L143-Y158 HydrophobicContact CD1-CE1 3.53Å; L143-V161 HydrophobicContact CD2-CG2 3.94Å; L143-N176 WeakPolarHBondContact CB-OD1 3.41Å; L143-N176 PolarHBondContact N-O 3.37Å; L143-N176 PolarHBondContact N-OD1 3.09Å; L143-Y178 HydrophobicContact CD1-CD2 3.97Å; L143-Y178 HydrophobicContact CD1-CE2 3.51Å; L143-Y178 HydrophobicContact CD2-CD2 3.83Å; L143-Y178 HydrophobicContact CD2-CE2 4.2Å; L143-Y178 HydrophobicContact CG-CD2 3.88Å; L143-Y178 HydrophobicContact CG-CE2 3.95Å
144D86.8Confident79.6Confident61 Ų6171.1 Ų71.133%0.32638%0.384SS..Hα-helixtrans-81.1-44.9176.4-78-46000112.1C142 V146 A147 E148 R154 N176C142-D144 VanDerWaalsContact C-N 3.32Å; C142-D144 PolarHBondContact O-N 3.21Å; D144-V146 VanDerWaalsContact C-N 3.26Å; D144-V146 PolarHBondContact O-N 3.45Å; D144-A147 WeakPolarHBondContact O-CA 3.09Å; D144-A147 WeakPolarHBondContact O-CB 3.4Å; D144-A147 PolarHBondContact O-N 3.36Å; D144-E148 PolarHBondContact O-N 3Å; D144-R154 WeakPolarHBondContact OD1-CD 3.46Å; D144-R154 IonicContact OD1-CZ 3.7Å; D144-R154 IonicContact OD1-NE 2.74Å; D144-R154 PolarHBondContact OD1-NE 2.66Å; D144-R154 IonicContact OD1-NH1 2.62Å; D144-R154 PolarHBondContact OD1-NH1 3.42Å; D144-R154 IonicContact OD1-NH2 3.59Å; D144-R154 PolarHBondContact OD1-NH2 2.64Å; D144-R154 IonicContact OD2-CZ 3.68Å; D144-R154 IonicContact OD2-NH1 3.13Å; D144-R154 PolarHBondContact OD2-NH1 2.96Å; D144-R154 IonicContact OD2-NH2 3.57Å; D144-R154 PolarHBondContact OD2-NH2 3.48Å; D144-N176 PolarHBondContact N-OD1 2.82Å; D144-N176 PolarHBondContact OD2-ND2 3.43Å; D144-N176 PolarHBondContact OD2-OD1 3.47Å
145E86.8Confident80.9Confident116 Ų11671 Ų7154%0.54238%0.376SS..Hα-helixtrans-54.6-45171.6-68.6155.8-13800110.4C142 A147 E148 E149C142-E145 HydrophobicContact CB-CB 4.09Å; C142-E145 HydrophobicContact CB-CG 3.97Å; C142-E145 WeakPolarHBondContact CB-OE1 3.18Å; C142-E145 WeakPolarHBondContact CB-OE2 3.42Å; C142-E145 PolarHBondContact SG-OE1 2.97Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.42Å; E145-E148 PolarHBondContact O-N 2.89Å; E145-E149 WeakPolarHBondContact O-CG 3.33Å; E145-E149 PolarHBondContact O-N 2.87Å
146V86.3Confident82.4Confident4 Ų469.5 Ų69.52%0.02436%0.357CS..Hα-helixtrans-66.3-28.6174.3175.90000113F125 Y129 I141 C142 D144 L150 I157F125-V146 HydrophobicContact CD2-CG1 3.78Å; F125-V146 HydrophobicContact CE2-CG1 3.91Å; Y129-V146 VanDerWaalsContact OH-CG2 3.24Å; Y129-V146 WeakPolarHBondContact OH-CG2 3.43Å; I141-V146 HydrophobicContact CG2-CG2 3.88Å; C142-V146 WeakPolarHBondContact O-CG2 3.42Å; C142-V146 PolarHBondContact O-N 3.46Å; D144-V146 VanDerWaalsContact C-N 3.26Å; D144-V146 PolarHBondContact O-N 3.45Å; V146-L150 HydrophobicContact CG1-CD1 3.48Å; V146-L150 VanDerWaalsContact CG1-CD1 3.48Å; V146-L150 HydrophobicContact CG1-CG 4.09Å; V146-L150 VanDerWaalsContact O-CB 3.22Å; V146-L150 WeakPolarHBondContact O-CB 3.42Å; V146-L150 WeakPolarHBondContact O-CG 3.2Å; V146-L150 PolarHBondContact O-N 2.81Å; V146-I157 HydrophobicContact CB-CD1 4.33Å; V146-I157 HydrophobicContact CG1-CD1 3.8Å; V146-I157 HydrophobicContact CG1-CG1 4.14Å; V146-I157 HydrophobicContact CG1-CG2 4.46Å
147A89.3Confident84.1Confident16 Ų1665.5 Ų65.513%0.13232%0.323CS..Hα-helixtrans-70.4-37.3174.800000112L143 D144 E145 N151 V152 R154 I157L143-A147 WeakPolarHBondContact O-CB 3.21Å; L143-A147 PolarHBondContact O-N 2.89Å; D144-A147 WeakPolarHBondContact O-CA 3.09Å; D144-A147 WeakPolarHBondContact O-CB 3.4Å; D144-A147 PolarHBondContact O-N 3.36Å; E145-A147 VanDerWaalsContact C-N 3.32Å; E145-A147 PolarHBondContact O-N 3.42Å; A147-N151 WeakPolarHBondContact O-CA 3.28Å; A147-N151 PolarHBondContact O-N 2.67Å; A147-V152 PolarHBondContact O-N 3.49Å; A147-R154 HydrophobicContact CB-CB 4.5Å; A147-I157 HydrophobicContact CB-CD1 3.7Å
148E87.6Confident85.3Confident165 Ų16565.4 Ų65.477%0.77131%0.314SS*.Hα-helixtrans-72.9-51.4177.5-166.8161.8-160.100111.5D144 E145 L150 N151D144-E148 PolarHBondContact O-N 3Å; E145-E148 PolarHBondContact O-N 2.89Å; E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 2.77Å; E148-N151 PolarHBondContact O-N 2.99Å
149E85Confident86.7Confident87 Ų8758.3 Ų58.341%0.40728%0.276SS..Hα-helixtrans-57.7-36176.5-75.1-166.2173.400114.1K124 R128 E145K124-E149 PolarHBondContact NZ-O 2.93Å; R128-E149 IonicContact CZ-OE1 2.72Å; R128-E149 IonicContact CZ-OE2 2.65Å; R128-E149 VanDerWaalsContact CZ-OE2 3.27Å; R128-E149 IonicContact NE-OE2 3.6Å; R128-E149 PolarHBondContact NE-OE2 2.86Å; R128-E149 IonicContact NH2-OE1 3.46Å; R128-E149 PolarHBondContact NH2-OE1 2.88Å; R128-E149 IonicContact NH2-OE2 3.1Å; R128-E149 PolarHBondContact NH2-OE2 2.76Å; E145-E149 WeakPolarHBondContact O-CG 3.33Å; E145-E149 PolarHBondContact O-N 2.87Å
150L83.9Confident87.6Confident14 Ų1456.5 Ų56.57%0.07327%0.267CS..Hα-helixtrans-85.8-18.5178.9-58.4-179.8000111.8L121 K124 F125 V146 E148 V152 I157L121-L150 HydrophobicContact CD1-CB 3.75Å; L121-L150 HydrophobicContact CD1-CD1 3.62Å; L121-L150 HydrophobicContact CD1-CD2 4.44Å; L121-L150 HydrophobicContact CD1-CG 4.13Å; L121-L150 HydrophobicContact CG-CD1 4.28Å; K124-L150 HydrophobicContact CB-CD2 4.14Å; K124-L150 HydrophobicContact CD-CD2 3.53Å; K124-L150 HydrophobicContact CG-CD2 3.59Å; F125-L150 HydrophobicContact CB-CD1 4.49Å; F125-L150 HydrophobicContact CD2-CD1 4.41Å; V146-L150 HydrophobicContact CG1-CD1 3.48Å; V146-L150 VanDerWaalsContact CG1-CD1 3.48Å; V146-L150 HydrophobicContact CG1-CG 4.09Å; V146-L150 VanDerWaalsContact O-CB 3.22Å; V146-L150 WeakPolarHBondContact O-CB 3.42Å; V146-L150 WeakPolarHBondContact O-CG 3.2Å; V146-L150 PolarHBondContact O-N 2.81Å; E148-L150 VanDerWaalsContact C-N 3.27Å; E148-L150 PolarHBondContact O-N 2.77Å; L150-V152 WeakPolarHBondContact O-CG2 3.3Å; L150-I157 HydrophobicContact CD1-CD1 4.43Å; L150-I157 HydrophobicContact CD1-CG1 4.4Å
151N86Confident88Confident147 Ų14754.1 Ų54.179%0.78625%0.254SS*.THydrogen-bonded Turntrans49.552.4-170.3-167.613000112.6A147 E148A147-N151 WeakPolarHBondContact O-CA 3.28Å; A147-N151 PolarHBondContact O-N 2.67Å; E148-N151 PolarHBondContact O-N 2.99Å
152V87.7Confident88.4Confident48 Ų4855.9 Ų55.929%0.29126%0.263SS..SBendtrans-136145.4-178.4179.20000111.5L121 A147 L150 R154 R156L121-V152 HydrophobicContact CD1-CB 4.18Å; L121-V152 HydrophobicContact CD1-CG2 3.73Å; L121-V152 HydrophobicContact CD2-CB 4.36Å; L121-V152 HydrophobicContact CD2-CG1 3.92Å; A147-V152 PolarHBondContact O-N 3.49Å; L150-V152 WeakPolarHBondContact O-CG2 3.3Å; V152-R154 PolarHBondContact O-N 3.49Å; V152-R154 VanDerWaalsContact O-N 3.15Å; V152-R156 HydrophobicContact CG1-CB 3.74Å; V152-R156 HydrophobicContact CG1-CG 3.52Å
153E89.5Confident88.7Confident117 Ų11755.4 Ų55.455%0.54726%0.26SS..  trans-31.4118.2165-65.5173.8179.300112.1R155 R156E153-R155 HydrophobicContact CB-CB 4.34Å; E153-R155 PolarHBondContact O-N 3.18Å; E153-R156 HydrophobicContact CB-CG 4.17Å; E153-R156 PolarHBondContact O-N 2.85Å; E153-R156 IonicContact OE2-CZ 2.88Å; E153-R156 IonicContact OE2-NE 2.96Å; E153-R156 PolarHBondContact OE2-NE 3.4Å; E153-R156 IonicContact OE2-NH2 2.77Å; E153-R156 PolarHBondContact OE2-NH2 3.14Å; E153-R156 VanDerWaalsContact OE2-NH2 3.1Å
154R87.8Confident88.8Confident79 Ų7955.3 Ų55.330%0.29826%0.259SS..Hα-helixtrans-48.9-26.7172.7-167.4178.7-177156.315.7113D144 A147 V152 R156 I157 Y158 N176D144-R154 WeakPolarHBondContact OD1-CD 3.46Å; D144-R154 IonicContact OD1-CZ 3.7Å; D144-R154 IonicContact OD1-NE 2.74Å; D144-R154 PolarHBondContact OD1-NE 2.66Å; D144-R154 IonicContact OD1-NH1 2.62Å; D144-R154 PolarHBondContact OD1-NH1 3.42Å; D144-R154 IonicContact OD1-NH2 3.59Å; D144-R154 PolarHBondContact OD1-NH2 2.64Å; D144-R154 IonicContact OD2-CZ 3.68Å; D144-R154 IonicContact OD2-NH1 3.13Å; D144-R154 PolarHBondContact OD2-NH1 2.96Å; D144-R154 IonicContact OD2-NH2 3.57Å; D144-R154 PolarHBondContact OD2-NH2 3.48Å; A147-R154 HydrophobicContact CB-CB 4.5Å; V152-R154 PolarHBondContact O-N 3.49Å; V152-R154 VanDerWaalsContact O-N 3.15Å; R154-R156 VanDerWaalsContact C-N 3.3Å; R154-R156 PolarHBondContact O-N 2.68Å; R154-I157 PolarHBondContact O-N 3.16Å; R154-Y158 HydrophobicContact CG-CD2 4.41Å; R154-Y158 HydrophobicContact CG-CE2 3.83Å; R154-Y158 PolarHBondContact NE-OH 3.23Å; R154-Y158 VanDerWaalsContact O-CD2 3.28Å; R154-Y158 WeakPolarHBondContact O-CD2 3.49Å; R154-Y158 PolarHBondContact O-N 3.13Å; R154-Y158 VanDerWaalsContact O-N 3.17Å; R154-N176 VanDerWaalsContact NH2-CG 3.28Å; R154-N176 PolarHBondContact NH2-OD1 3.49Å
155R90.8Very high89Confident95 Ų9553.6 Ų53.636%0.35825%0.249SC..Hα-helixtrans-55.3-37.7171.8-17563.8-163.481.22.6113.4E153 Y158 D159E153-R155 HydrophobicContact CB-CB 4.34Å; E153-R155 PolarHBondContact O-N 3.18Å; R155-Y158 PolarHBondContact O-N 3.37Å; R155-D159 IonicContact CZ-OD1 3.3Å; R155-D159 IonicContact CZ-OD2 3.05Å; R155-D159 IonicContact NH1-OD1 2.7Å; R155-D159 PolarHBondContact NH1-OD1 2.89Å; R155-D159 IonicContact NH1-OD2 2.7Å; R155-D159 PolarHBondContact NH1-OD2 3.16Å; R155-D159 VanDerWaalsContact NH1-OD2 3.13Å; R155-D159 IonicContact NH2-OD1 2.87Å; R155-D159 PolarHBondContact NH2-OD1 3.37Å; R155-D159 IonicContact NH2-OD2 2.86Å; R155-D159 PolarHBondContact O-N 2.83Å
156R91.3Very high89.1Confident78 Ų7848.1 Ų48.129%0.29422%0.224SC..Hα-helixtrans-73.4-39.2-178.5-58.3-64.6143.3-159.71.4112.5L118 L121 V152 E153 R154 Y158 D159 I160L118-R156 HydrophobicContact CD1-CB 3.9Å; L118-R156 HydrophobicContact CD1-CG 4.49Å; L121-R156 HydrophobicContact CD2-CB 3.45Å; L121-R156 VanDerWaalsContact CD2-CB 3.45Å; L121-R156 HydrophobicContact CD2-CG 4.36Å; V152-R156 HydrophobicContact CG1-CB 3.74Å; V152-R156 HydrophobicContact CG1-CG 3.52Å; E153-R156 HydrophobicContact CB-CG 4.17Å; E153-R156 PolarHBondContact O-N 2.85Å; E153-R156 IonicContact OE2-CZ 2.88Å; E153-R156 IonicContact OE2-NE 2.96Å; E153-R156 PolarHBondContact OE2-NE 3.4Å; E153-R156 IonicContact OE2-NH2 2.77Å; E153-R156 PolarHBondContact OE2-NH2 3.14Å; E153-R156 VanDerWaalsContact OE2-NH2 3.1Å; R154-R156 VanDerWaalsContact C-N 3.3Å; R154-R156 PolarHBondContact O-N 2.68Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 3.37Å; R156-D159 IonicContact NH1-OD2 2.66Å; R156-D159 PolarHBondContact O-N 2.72Å; R156-I160 PolarHBondContact O-N 3.33Å; R156-I160 VanDerWaalsContact O-N 3.09Å
157I90.7Very high89.2Confident2 Ų248 Ų481%0.0122%0.223CC..Hα-helixtrans-61.6-39.8174.2-68.9158.4000110L143 V146 A147 L150 R154 D159 I160 V161L143-I157 HydrophobicContact CB-CG2 4.38Å; L143-I157 HydrophobicContact CD2-CG2 3.91Å; V146-I157 HydrophobicContact CB-CD1 4.33Å; V146-I157 HydrophobicContact CG1-CD1 3.8Å; V146-I157 HydrophobicContact CG1-CG1 4.14Å; V146-I157 HydrophobicContact CG1-CG2 4.46Å; A147-I157 HydrophobicContact CB-CD1 3.7Å; L150-I157 HydrophobicContact CD1-CD1 4.43Å; L150-I157 HydrophobicContact CD1-CG1 4.4Å; R154-I157 PolarHBondContact O-N 3.16Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 3.07Å; I157-I160 PolarHBondContact O-N 3.23Å; I157-V161 HydrophobicContact CG2-CG2 3.92Å; I157-V161 WeakPolarHBondContact O-CB 3.46Å; I157-V161 WeakPolarHBondContact O-CG2 3.33Å; I157-V161 PolarHBondContact O-N 2.79Å
158Y90.8Very high89.1Confident85 Ų8551.1 Ų51.133%0.33324%0.235SC..Hα-helixtrans-61.4-33.1171.1-67.5-48000113.8L143 R154 R155 R156 N162L143-Y158 HydrophobicContact CD1-CD1 3.87Å; L143-Y158 HydrophobicContact CD1-CE1 3.53Å; R154-Y158 HydrophobicContact CG-CD2 4.41Å; R154-Y158 HydrophobicContact CG-CE2 3.83Å; R154-Y158 PolarHBondContact NE-OH 3.23Å; R154-Y158 VanDerWaalsContact O-CD2 3.28Å; R154-Y158 WeakPolarHBondContact O-CD2 3.49Å; R154-Y158 PolarHBondContact O-N 3.13Å; R154-Y158 VanDerWaalsContact O-N 3.17Å; R155-Y158 PolarHBondContact O-N 3.37Å; R156-Y158 VanDerWaalsContact C-N 3.27Å; R156-Y158 PolarHBondContact O-N 3.37Å; Y158-N162 VanDerWaalsContact O-CB 3.3Å; Y158-N162 WeakPolarHBondContact O-CB 3.4Å; Y158-N162 PolarHBondContact O-N 2.97Å; Y158-N162 PolarHBondContact O-ND2 2.92Å
159D91.2Very high89.1Confident2 Ų243.3 Ų43.31%0.01120%0.198CC..Hα-helixtrans-68.8-44.2174.1-74.3-34.6000110.9L118 R155 R156 I157 V163 L266 R314L118-D159 HydrophobicContact CD1-CB 4.34Å; L118-D159 HydrophobicContact CD2-CB 4.14Å; R155-D159 IonicContact CZ-OD1 3.3Å; R155-D159 IonicContact CZ-OD2 3.05Å; R155-D159 IonicContact NH1-OD1 2.7Å; R155-D159 PolarHBondContact NH1-OD1 2.89Å; R155-D159 IonicContact NH1-OD2 2.7Å; R155-D159 PolarHBondContact NH1-OD2 3.16Å; R155-D159 VanDerWaalsContact NH1-OD2 3.13Å; R155-D159 IonicContact NH2-OD1 2.87Å; R155-D159 PolarHBondContact NH2-OD1 3.37Å; R155-D159 IonicContact NH2-OD2 2.86Å; R155-D159 PolarHBondContact O-N 2.83Å; R156-D159 IonicContact NH1-OD2 2.66Å; R156-D159 PolarHBondContact O-N 2.72Å; I157-D159 VanDerWaalsContact C-N 3.32Å; I157-D159 PolarHBondContact O-N 3.07Å; D159-V163 WeakPolarHBondContact O-CG2 3.5Å; D159-L266 HydrophobicContact CB-CD2 4.43Å; D159-R314 IonicContact OD1-NH1 3.48Å; D159-R314 IonicContact OD2-NH1 2.64Å
160I91Very high89.3Confident1 Ų139.2 Ų39.21%0.00518%0.179CC..Hα-helixtrans-64.8-53.2179-66.9167.9000111.4L118 L121 C122 R156 I157 N162 V163 L164 V321L118-I160 HydrophobicContact CD1-CD1 4.02Å; L118-I160 HydrophobicContact CD1-CG1 3.86Å; L118-I160 HydrophobicContact CG-CG1 4.19Å; L121-I160 HydrophobicContact CB-CD1 4.04Å; L121-I160 HydrophobicContact CD2-CD1 3.7Å; L121-I160 HydrophobicContact CG-CD1 3.71Å; C122-I160 HydrophobicContact CB-CD1 4.2Å; C122-I160 HydrophobicContact CB-CG1 4.49Å; R156-I160 PolarHBondContact O-N 3.33Å; R156-I160 VanDerWaalsContact O-N 3.09Å; I157-I160 PolarHBondContact O-N 3.23Å; I160-N162 VanDerWaalsContact C-N 3.34Å; I160-N162 PolarHBondContact O-N 2.71Å; I160-V163 PolarHBondContact O-N 3.17Å; I160-V163 VanDerWaalsContact O-N 3.08Å; I160-L164 HydrophobicContact CG2-CD1 3.68Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 PolarHBondContact O-N 3.08Å; I160-V321 HydrophobicContact CG1-CG2 4Å
161V90.6Very high89.5Confident3 Ų341.2 Ų41.22%0.01819%0.194CC..Hα-helixtrans-63.2-38.1-175.6170.90000111.6L143 I157 V163 L164 E165 V170 Y178L143-V161 HydrophobicContact CD2-CG2 3.94Å; I157-V161 HydrophobicContact CG2-CG2 3.92Å; I157-V161 WeakPolarHBondContact O-CB 3.46Å; I157-V161 WeakPolarHBondContact O-CG2 3.33Å; I157-V161 PolarHBondContact O-N 2.79Å; V161-V163 VanDerWaalsContact C-N 3.25Å; V161-V163 PolarHBondContact O-N 3.32Å; V161-L164 PolarHBondContact O-N 2.89Å; V161-E165 WeakPolarHBondContact O-CB 3.37Å; V161-E165 PolarHBondContact O-N 3.24Å; V161-V170 HydrophobicContact CG1-CG2 4.18Å; V161-Y178 HydrophobicContact CG1-CD1 3.57Å; V161-Y178 HydrophobicContact CG1-CD2 4.39Å; V161-Y178 HydrophobicContact CG1-CE1 3.36Å; V161-Y178 HydrophobicContact CG1-CE2 4.25Å; V161-Y178 HydrophobicContact CG1-CG 4.1Å
162N91.8Very high89.7Confident39 Ų3941 Ų4121%0.20918%0.183CC..Hα-helixtrans-65-27.2176.2-84.1-60.1000113.7Y158 I160 S166 L266 R267Y158-N162 VanDerWaalsContact O-CB 3.3Å; Y158-N162 WeakPolarHBondContact O-CB 3.4Å; Y158-N162 PolarHBondContact O-N 2.97Å; Y158-N162 PolarHBondContact O-ND2 2.92Å; I160-N162 VanDerWaalsContact C-N 3.34Å; I160-N162 PolarHBondContact O-N 2.71Å; N162-S166 PolarHBondContact O-N 2.98Å; N162-L266 HydrophobicContact CB-CD2 4.18Å; N162-R267 PolarHBondContact O-NH1 2.92Å; N162-R267 VanDerWaalsContact O-NH1 3.09Å; N162-R267 PolarHBondContact OD1-NH1 2.89Å
163V91.6Very high89.7Confident2 Ų243.7 Ų43.71%0.01220%0.195CC..Hα-helixtrans-82.4-42.1175.3175.20000111D159 I160 V161 E165 S166 L167 I318 V321 L322D159-V163 WeakPolarHBondContact O-CG2 3.5Å; I160-V163 PolarHBondContact O-N 3.17Å; I160-V163 VanDerWaalsContact O-N 3.08Å; V161-V163 VanDerWaalsContact C-N 3.25Å; V161-V163 PolarHBondContact O-N 3.32Å; V163-E165 VanDerWaalsContact C-N 3.28Å; V163-E165 PolarHBondContact O-N 2.88Å; V163-S166 WeakPolarHBondContact O-CB 3.13Å; V163-S166 PolarHBondContact O-N 3.34Å; V163-S166 VanDerWaalsContact O-N 3.07Å; V163-S166 PolarHBondContact O-OG 2.58Å; V163-L167 PolarHBondContact O-N 3.47Å; V163-I318 HydrophobicContact CG1-CG2 4.39Å; V163-I318 HydrophobicContact CG2-CB 4.48Å; V163-I318 HydrophobicContact CG2-CG1 3.92Å; V163-I318 HydrophobicContact CG2-CG2 4.38Å; V163-V321 HydrophobicContact CB-CG1 4.1Å; V163-V321 HydrophobicContact CG1-CB 4.36Å; V163-V321 HydrophobicContact CG1-CG1 3.8Å; V163-L322 HydrophobicContact CG1-CD2 4.16Å; V163-L322 HydrophobicContact CG1-CG 4.46Å
164L89.1Confident89.6Confident0 Ų040.2 Ų40.20%019%0.187CC..Hα-helixtrans-60.7-38.3173.4-68.8170.3000112.2F125 I160 V161 S166 L167 H168 M169 V170 W180 L325F125-L164 HydrophobicContact CD1-CD1 4.11Å; F125-L164 HydrophobicContact CE1-CD1 3.53Å; F125-L164 HydrophobicContact CZ-CD1 4.19Å; I160-L164 HydrophobicContact CG2-CD1 3.68Å; I160-L164 HydrophobicContact CG2-CG 4.25Å; I160-L164 PolarHBondContact O-N 3.08Å; V161-L164 PolarHBondContact O-N 2.89Å; L164-S166 VanDerWaalsContact C-N 3.31Å; L164-L167 CarbonylContact O-C 3.42Å; L164-L167 PolarHBondContact O-N 3.26Å; L164-H168 PolarHBondContact O-N 3.46Å; L164-M169 HydrophobicContact CB-CB 4.46Å; L164-M169 HydrophobicContact CD2-CB 4.32Å; L164-M169 HydrophobicContact CD2-CE 4.33Å; L164-M169 HydrophobicContact CD2-SD 4.06Å; L164-M169 PolarHBondContact O-N 3.24Å; L164-V170 HydrophobicContact CB-CG1 4.31Å; L164-V170 HydrophobicContact CB-CG2 3.79Å; L164-W180 HydrophobicContact CD1-CZ3 4.3Å; L164-L325 HydrophobicContact CD2-CD1 3.9Å; L164-L325 HydrophobicContact CD2-CD2 3.9Å; L164-L325 HydrophobicContact CD2-CG 4.44Å
165E90.4Very high89.5Confident25 Ų2545.2 Ų45.212%0.11721%0.21CC..THydrogen-bonded Turntrans-72.9-22.6176.1-168.2-167.7161.800112.1V161 V163 L167 H168 V170 R267V161-E165 WeakPolarHBondContact O-CB 3.37Å; V161-E165 PolarHBondContact O-N 3.24Å; V163-E165 VanDerWaalsContact C-N 3.28Å; V163-E165 PolarHBondContact O-N 2.88Å; E165-L167 VanDerWaalsContact C-N 3.31Å; E165-H168 PolarHBondContact O-N 3.44Å; E165-V170 WeakPolarHBondContact CA-O 3.09Å; E165-V170 HydrophobicContact CB-CG2 3.79Å; E165-R267 IonicContact OE1-CZ 3.69Å; E165-R267 IonicContact OE1-NE 3.91Å; E165-R267 IonicContact OE1-NH1 2.75Å; E165-R267 IonicContact OE1-NH2 3.65Å; E165-R267 PolarHBondContact OE1-NH2 3.02Å; E165-R267 IonicContact OE2-CZ 2.7Å; E165-R267 IonicContact OE2-NH1 3.64Å; E165-R267 PolarHBondContact OE2-NH1 2.86Å; E165-R267 IonicContact OE2-NH2 3.32Å; E165-R267 PolarHBondContact OE2-NH2 3.48Å
166S89.8Confident89.3Confident1 Ų143 Ų431%0.00721%0.206CC..THydrogen-bonded Turntrans-74.8-24.5173.495.60000112.6N162 V163 L164 S270 Q271N162-S166 PolarHBondContact O-N 2.98Å; V163-S166 WeakPolarHBondContact O-CB 3.13Å; V163-S166 PolarHBondContact O-N 3.34Å; V163-S166 VanDerWaalsContact O-N 3.07Å; V163-S166 PolarHBondContact O-OG 2.58Å; L164-S166 VanDerWaalsContact C-N 3.31Å; S166-S270 VanDerWaalsContact CB-OG 3.26Å; S166-S270 WeakPolarHBondContact CB-OG 3.31Å; S166-S270 PolarHBondContact OG-OG 3.01Å; S166-Q271 WeakPolarHBondContact O-CG 3.14Å; S166-Q271 PolarHBondContact O-NE2 3.47Å
167L87.1Confident89.2Confident1 Ų144.1 Ų44.11%0.00521%0.21CC..THydrogen-bonded Turntrans-93.64.1171-63.1176.1000113.8V163 L164 E165 M169 L186 V274 L322 L325 L327V163-L167 PolarHBondContact O-N 3.47Å; L164-L167 CarbonylContact O-C 3.42Å; L164-L167 PolarHBondContact O-N 3.26Å; E165-L167 VanDerWaalsContact C-N 3.31Å; L167-M169 HydrophobicContact CB-CG 4.16Å; L167-M169 HydrophobicContact CD1-SD 4.39Å; L167-M169 PolarHBondContact O-N 3.07Å; L167-M169 VanDerWaalsContact O-N 3.11Å; L167-L186 HydrophobicContact CB-CD1 4.09Å; L167-L186 HydrophobicContact CD1-CD1 4.3Å; L167-L186 HydrophobicContact CD2-CD1 4.1Å; L167-L186 HydrophobicContact CG-CD1 4.41Å; L167-V274 HydrophobicContact CD2-CG1 4.44Å; L167-V274 HydrophobicContact CD2-CG2 4.36Å; L167-L322 HydrophobicContact CD1-CD2 3.82Å; L167-L325 HydrophobicContact CD1-CD1 4.1Å; L167-L327 HydrophobicContact CD1-CD1 3.73Å
168H87.8Confident89.2Confident83 Ų8344.8 Ų44.838%0.38421%0.212SC..THydrogen-bonded Turntrans5323-173.1-51.3116000115.9L164 E165 V170 N185 T189L164-H168 PolarHBondContact O-N 3.46Å; E165-H168 PolarHBondContact O-N 3.44Å; H168-V170 VanDerWaalsContact C-N 3.27Å; H168-N185 HydrophobicContact CB-CB 4.06Å; H168-N185 WeakPolarHBondContact O-CB 3.22Å; H168-N185 PolarHBondContact O-ND2 3.13Å; H168-T189 VanDerWaalsContact ND1-CG2 3.33Å; H168-T189 WeakPolarHBondContact ND1-CG2 3.21Å; H168-T189 PolarHBondContact ND1-OG1 3.49Å
169M86.8Confident89Confident0 Ų042.1 Ų42.10%021%0.205CC..SBendtrans-73-23.2171.4-66.6-175.962.700112.1L164 L167 W180 H181 G182 R183 L325L164-M169 HydrophobicContact CB-CB 4.46Å; L164-M169 HydrophobicContact CD2-CB 4.32Å; L164-M169 HydrophobicContact CD2-CE 4.33Å; L164-M169 HydrophobicContact CD2-SD 4.06Å; L164-M169 PolarHBondContact O-N 3.24Å; L167-M169 HydrophobicContact CB-CG 4.16Å; L167-M169 HydrophobicContact CD1-SD 4.39Å; L167-M169 PolarHBondContact O-N 3.07Å; L167-M169 VanDerWaalsContact O-N 3.11Å; M169-W180 HydrophobicContact CE-CH2 3.86Å; M169-H181 WeakPolarHBondContact O-CA 3.32Å; M169-H181 PolarHBondContact O-N 3.35Å; M169-G182 PolarHBondContact O-N 3.4Å; M169-R183 HydrophobicContact CE-CG 4.12Å; M169-L325 HydrophobicContact CE-CD2 3.86Å; M169-L325 HydrophobicContact SD-CD2 3.93Å
170V89.4Confident88.9Confident1 Ų142.3 Ų42.31%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-131.7154.5166.1-57.80000110V161 L164 E165 H168 Y178 T179 W180V161-V170 HydrophobicContact CG1-CG2 4.18Å; L164-V170 HydrophobicContact CB-CG1 4.31Å; L164-V170 HydrophobicContact CB-CG2 3.79Å; E165-V170 WeakPolarHBondContact CA-O 3.09Å; E165-V170 HydrophobicContact CB-CG2 3.79Å; H168-V170 VanDerWaalsContact C-N 3.27Å; V170-Y178 HydrophobicContact CG2-CD1 4.29Å; V170-T179 CarbonylContact C-O 3.07Å; V170-T179 WeakPolarHBondContact CA-O 3.18Å; V170-T179 WeakPolarHBondContact CB-O 3.41Å; V170-W180 HydrophobicContact CG1-CD2 4.42Å; V170-W180 HydrophobicContact CG1-CE3 3.42Å; V170-W180 VanDerWaalsContact CG1-CE3 3.42Å; V170-W180 HydrophobicContact CG1-CZ3 3.94Å
171S89.3Confident88.4Confident56 Ų5644.6 Ų44.639%0.39222%0.216SC..EExtended strand (participates in β ladder)trans-124.1160.2168.1-169.40000110.3Y178 T179 H181S171-Y178 CarbonylContact O-C 3.6Å; S171-Y178 WeakPolarHBondContact O-CA 3.19Å; S171-Y178 WeakPolarHBondContact O-CB 3.4Å; S171-Y178 VanDerWaalsContact O-CD1 3.28Å; S171-Y178 WeakPolarHBondContact O-CD1 3.1Å; S171-T179 PolarHBondContact N-O 2.92Å; S171-T179 PolarHBondContact O-N 3.07Å; S171-T179 PolarHBondContact O-OG1 3.4Å; S171-H181 WeakPolarHBondContact CB-NE2 3.42Å; S171-H181 PolarHBondContact N-CD2 3.28Å
172R89.8Confident87.9Confident142 Ų14244.5 Ų44.554%0.53622%0.216SC..EExtended strand (participates in β ladder)trans-95.9110.4-178.9-175.6178.7170.6-163.6-10.4110.4A174 Y178R172-A174 WeakPolarHBondContact CG-O 3.42Å; R172-A174 PolarHBondContact NE-O 3.2Å; R172-Y178 HydrophobicContact CB-CD1 3.93Å; R172-Y178 HydrophobicContact CB-CE1 3.58Å; R172-Y178 HydrophobicContact CG-CD1 4.34Å; R172-Y178 HydrophobicContact CG-CE1 3.85Å; R172-Y178 HydrophobicContact CG-CE2 4.15Å
173L87.4Confident87.3Confident105 Ų10545.4 Ų45.455%0.5522%0.216SC..  trans-84-41.1178.6-172.560.8000112.4R177 T179L173-R177 HydrophobicContact CB-CG 4.43Å; L173-R177 HydrophobicContact CD2-CG 4.25Å; L173-R177 PolarHBondContact N-O 2.84Å; L173-R177 VanDerWaalsContact N-O 3.15Å; L173-T179 HydrophobicContact CB-CG2 4.22Å; L173-T179 HydrophobicContact CD2-CG2 4.05Å
174A87.7Confident86.5Confident45 Ų4549.4 Ų49.437%0.37223%0.234SC..SBendtrans-149.9-159.4-179.300000113.4R172 R177R172-A174 WeakPolarHBondContact CG-O 3.42Å; R172-A174 PolarHBondContact NE-O 3.2Å; A174-R177 HydrophobicContact CB-CB 4.14Å; A174-R177 PolarHBondContact N-O 3.24Å
175K85.4Confident86Confident183 Ų18351.1 Ų51.180%0.79624%0.244SC*.SBendtrans-75.4138.7157.3-173.2-177.3177.5-171.90107.5R177K175-R177 PolarHBondContact O-N 3.16Å
176N87.2Confident85.7Confident50 Ų5050 Ų5027%0.26724%0.239SC..SBendtrans63.9-17.6-176.8-150.619.3000117.5C142 L143 D144 R154C142-N176 CarbonylContact C-O 3.56Å; C142-N176 WeakPolarHBondContact CA-O 3.33Å; L143-N176 WeakPolarHBondContact CB-OD1 3.41Å; L143-N176 PolarHBondContact N-O 3.37Å; L143-N176 PolarHBondContact N-OD1 3.09Å; D144-N176 PolarHBondContact N-OD1 2.82Å; D144-N176 PolarHBondContact OD2-ND2 3.43Å; D144-N176 PolarHBondContact OD2-OD1 3.47Å; R154-N176 VanDerWaalsContact NH2-CG 3.28Å; R154-N176 PolarHBondContact NH2-OD1 3.49Å
177R88.4Confident85.4Confident100 Ų10054 Ų5438%0.37726%0.26SS..EExtended strand (participates in β ladder)trans-114.3128.9-173.5-172.3175.7-71.6-84-11.3112.3D140 I141 L173 A174 K175D140-R177 HydrophobicContact CB-CG 4.32Å; D140-R177 VanDerWaalsContact OD2-CD 3.26Å; D140-R177 WeakPolarHBondContact OD2-CD 3.47Å; D140-R177 IonicContact OD2-CZ 2.63Å; D140-R177 IonicContact OD2-NE 2.68Å; D140-R177 IonicContact OD2-NH1 3.04Å; D140-R177 PolarHBondContact OD2-NH1 3.43Å; I141-R177 WeakPolarHBondContact O-CA 3.48Å; L173-R177 HydrophobicContact CB-CG 4.43Å; L173-R177 HydrophobicContact CD2-CG 4.25Å; L173-R177 PolarHBondContact N-O 2.84Å; L173-R177 VanDerWaalsContact N-O 3.15Å; A174-R177 HydrophobicContact CB-CB 4.14Å; A174-R177 PolarHBondContact N-O 3.24Å; K175-R177 PolarHBondContact O-N 3.16Å
178Y90.4Very high85.2Confident16 Ų1660.7 Ų60.76%0.06329%0.291CS..EExtended strand (participates in β ladder)trans-128150.8178.8-76.9-107000109.7D140 I141 L143 V161 V170 S171 R172D140-Y178 CarbonylContact C-O 3.45Å; D140-Y178 WeakPolarHBondContact CA-O 3.33Å; I141-Y178 PolarHBondContact N-O 3.05Å; I141-Y178 PolarHBondContact O-N 3.35Å; L143-Y178 HydrophobicContact CD1-CD2 3.97Å; L143-Y178 HydrophobicContact CD1-CE2 3.51Å; L143-Y178 HydrophobicContact CD2-CD2 3.83Å; L143-Y178 HydrophobicContact CD2-CE2 4.2Å; L143-Y178 HydrophobicContact CG-CD2 3.88Å; L143-Y178 HydrophobicContact CG-CE2 3.95Å; V161-Y178 HydrophobicContact CG1-CD1 3.57Å; V161-Y178 HydrophobicContact CG1-CD2 4.39Å; V161-Y178 HydrophobicContact CG1-CE1 3.36Å; V161-Y178 HydrophobicContact CG1-CE2 4.25Å; V161-Y178 HydrophobicContact CG1-CG 4.1Å; V170-Y178 HydrophobicContact CG2-CD1 4.29Å; S171-Y178 CarbonylContact O-C 3.6Å; S171-Y178 WeakPolarHBondContact O-CA 3.19Å; S171-Y178 WeakPolarHBondContact O-CB 3.4Å; S171-Y178 VanDerWaalsContact O-CD1 3.28Å; S171-Y178 WeakPolarHBondContact O-CD1 3.1Å; R172-Y178 HydrophobicContact CB-CD1 3.93Å; R172-Y178 HydrophobicContact CB-CE1 3.58Å; R172-Y178 HydrophobicContact CG-CD1 4.34Å; R172-Y178 HydrophobicContact CG-CE1 3.85Å; R172-Y178 HydrophobicContact CG-CE2 4.15Å
179T87.9Confident85.1Confident30 Ų3057.1 Ų57.118%0.18428%0.275CS..EExtended strand (participates in β ladder)trans-98130172.545.60000110.3D140 V170 S171 L173 H181D140-T179 WeakPolarHBondContact OD1-CG2 3.38Å; V170-T179 CarbonylContact C-O 3.07Å; V170-T179 WeakPolarHBondContact CA-O 3.18Å; V170-T179 WeakPolarHBondContact CB-O 3.41Å; S171-T179 PolarHBondContact N-O 2.92Å; S171-T179 PolarHBondContact O-N 3.07Å; S171-T179 PolarHBondContact O-OG1 3.4Å; L173-T179 HydrophobicContact CB-CG2 4.22Å; L173-T179 HydrophobicContact CD2-CG2 4.05Å; T179-H181 PolarHBondContact OG1-CE1 3.01Å; T179-H181 PolarHBondContact OG1-NE2 3.08Å
180W88.8Confident85Confident5 Ų557.1 Ų57.12%0.01928%0.275CS..EExtended strand (participates in β ladder)trans-85.8118172.7176.3-104000110.8F125 L126 Y129 P130 P133 N139 I141 L164 M169 V170F125-W180 HydrophobicContact CE1-CE3 4.35Å; F125-W180 HydrophobicContact CE1-CZ3 4.01Å; L126-W180 HydrophobicContact CD2-CH2 3.73Å; L126-W180 HydrophobicContact CD2-CZ3 4.39Å; Y129-W180 HydrophobicContact CG-CD2 4.35Å; P130-W180 PolarHBondContact O-NE1 3.17Å; P133-W180 VanDerWaalsContact CG-CD1 3.48Å; P133-W180 HydrophobicContact CG-CG 4.49Å; N139-W180 HydrophobicContact CB-CB 4.08Å; N139-W180 WeakPolarHBondContact CB-O 3.43Å; N139-W180 PolarHBondContact O-N 3.04Å; I141-W180 HydrophobicContact CD1-CB 3.78Å; I141-W180 HydrophobicContact CD1-CD2 4.48Å; I141-W180 HydrophobicContact CD1-CE3 4.14Å; I141-W180 HydrophobicContact CD1-CG 4.36Å; I141-W180 HydrophobicContact CG1-CB 4.15Å; L164-W180 HydrophobicContact CD1-CZ3 4.3Å; M169-W180 HydrophobicContact CE-CH2 3.86Å; V170-W180 HydrophobicContact CG1-CD2 4.42Å; V170-W180 HydrophobicContact CG1-CE3 3.42Å; V170-W180 VanDerWaalsContact CG1-CE3 3.42Å; V170-W180 HydrophobicContact CG1-CZ3 3.94Å
181H80.4Confident84.7Confident50 Ų5058.8 Ų58.823%0.23129%0.292CS..  trans-101.6-28.2175.8-56.8-68.6000111.3P133 M169 S171 T179 H184P133-H181 VanDerWaalsContact CD-O 3.29Å; P133-H181 WeakPolarHBondContact CD-O 3.49Å; P133-H181 WeakPolarHBondContact CG-O 3.4Å; M169-H181 WeakPolarHBondContact O-CA 3.32Å; M169-H181 PolarHBondContact O-N 3.35Å; S171-H181 WeakPolarHBondContact CB-NE2 3.42Å; S171-H181 PolarHBondContact N-CD2 3.28Å; T179-H181 PolarHBondContact OG1-CE1 3.01Å; T179-H181 PolarHBondContact OG1-NE2 3.08Å; H181-H184 PolarHBondContact O-CE1 2.88Å; H181-H184 PolarHBondContact O-ND1 3.38Å
182G79.6Confident84.6Confident0 Ų060 Ų600%030%0.298CS..THydrogen-bonded Turntrans70.6-152.9-178.400000113M169 H184M169-G182 PolarHBondContact O-N 3.4Å; G182-H184 PolarHBondContact O-N 3.39Å
183R78.1Confident84.4Confident59 Ų5953.8 Ų53.822%0.22328%0.275CS..THydrogen-bonded Turntrans-77.7-4.8-168.2-96-176.7175.8168.11.3115.8N131 Y132 M169 L186 L325 E326N131-R183 PolarHBondContact O-N 3.23Å; Y132-R183 HydrophobicContact CE1-CB 4.11Å; M169-R183 HydrophobicContact CE-CG 4.12Å; R183-L186 HydrophobicContact CG-CD2 4.1Å; R183-L186 VanDerWaalsContact O-CB 3.31Å; R183-L186 WeakPolarHBondContact O-CB 3.2Å; R183-L186 PolarHBondContact O-N 2.85Å; R183-L325 PolarHBondContact NH2-O 3.4Å; R183-E326 IonicContact NH2-OE2 3.18Å
184H76.1Confident84.3Confident85 Ų8550.3 Ų50.339%0.39426%0.256SS..Hα-helixtrans-67-45.8-176.167.8-101.2000113.3H181 G182 L186H181-H184 PolarHBondContact O-CE1 2.88Å; H181-H184 PolarHBondContact O-ND1 3.38Å; G182-H184 PolarHBondContact O-N 3.39Å; H184-L186 PolarHBondContact O-N 3.13Å
185N79.3Confident84.1Confident37 Ų3751.8 Ų51.820%0.19826%0.263CS..Hα-helixtrans-68.8-14.1176.9-70.8-25.5000113.7H168 T189H168-N185 HydrophobicContact CB-CB 4.06Å; H168-N185 WeakPolarHBondContact O-CB 3.22Å; H168-N185 PolarHBondContact O-ND2 3.13Å; N185-T189 VanDerWaalsContact O-CB 3.27Å; N185-T189 WeakPolarHBondContact O-CB 3.17Å; N185-T189 PolarHBondContact O-N 3.31Å; N185-T189 PolarHBondContact O-OG1 3Å
186L83.6Confident84Confident2 Ų245.5 Ų45.51%0.0124%0.24CC..Hα-helixtrans-63.5-47.9-173.5-177.665.4000111.3L167 R183 H184 Q188 T189 L190 L327L167-L186 HydrophobicContact CB-CD1 4.09Å; L167-L186 HydrophobicContact CD1-CD1 4.3Å; L167-L186 HydrophobicContact CD2-CD1 4.1Å; L167-L186 HydrophobicContact CG-CD1 4.41Å; R183-L186 HydrophobicContact CG-CD2 4.1Å; R183-L186 VanDerWaalsContact O-CB 3.31Å; R183-L186 WeakPolarHBondContact O-CB 3.2Å; R183-L186 PolarHBondContact O-N 2.85Å; H184-L186 PolarHBondContact O-N 3.13Å; L186-Q188 PolarHBondContact O-N 3.31Å; L186-T189 PolarHBondContact O-N 3.12Å; L186-L190 HydrophobicContact CD1-CD1 4.04Å; L186-L190 HydrophobicContact CD1-CD2 4.36Å; L186-L190 HydrophobicContact CD1-CG 4.01Å; L186-L190 HydrophobicContact CD2-CD1 4.42Å; L186-L190 HydrophobicContact CG-CD1 3.82Å; L186-L190 HydrophobicContact CG-CG 4.2Å; L186-L190 WeakPolarHBondContact O-CB 3.17Å; L186-L190 VanDerWaalsContact O-CG 3.25Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.79Å; L186-L327 HydrophobicContact CD1-CD1 4.26Å; L186-L327 HydrophobicContact CD2-CD1 4.34Å; L186-L327 HydrophobicContact CD2-CD2 3.89Å
187N82.2Confident83.8Confident85 Ų8543.1 Ų43.146%0.45523%0.227SC..Hα-helixtrans-64.8-41.6-177.4-67.3-36.8000112.2L190 G191N187-L190 PolarHBondContact O-N 3.04Å; N187-G191 PolarHBondContact O-N 3.22Å
188Q84.5Confident83.5Confident140 Ų14043.5 Ų43.565%0.65423%0.233SC*.Hα-helixtrans-63.6-43174.7-172.3-179.215.800111.3L186 G191 T192L186-Q188 PolarHBondContact O-N 3.31Å; Q188-G191 PolarHBondContact O-N 3.18Å; Q188-T192 PolarHBondContact O-N 3.14Å; Q188-T192 VanDerWaalsContact O-N 3.07Å; Q188-T192 PolarHBondContact O-OG1 3.01Å
189T84.8Confident82.9Confident8 Ų849.7 Ų49.75%0.04926%0.263CS..Hα-helixtrans-64.4-46.6177.4-59.80000111.5H168 N185 L186 G191 T192 L193H168-T189 VanDerWaalsContact ND1-CG2 3.33Å; H168-T189 WeakPolarHBondContact ND1-CG2 3.21Å; H168-T189 PolarHBondContact ND1-OG1 3.49Å; N185-T189 VanDerWaalsContact O-CB 3.27Å; N185-T189 WeakPolarHBondContact O-CB 3.17Å; N185-T189 PolarHBondContact O-N 3.31Å; N185-T189 PolarHBondContact O-OG1 3Å; L186-T189 PolarHBondContact O-N 3.12Å; T189-G191 VanDerWaalsContact C-N 3.27Å; T189-G191 PolarHBondContact O-N 3.06Å; T189-T192 PolarHBondContact O-N 2.92Å; T189-T192 PolarHBondContact O-OG1 3.13Å; T189-T192 VanDerWaalsContact O-OG1 3.07Å; T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 PolarHBondContact O-N 3.32Å
190L85.2Confident82.5Confident0 Ų051 Ų510%027%0.269CS..Hα-helixtrans-61.2-38.4177.2-66.5173.1000110.9L186 N187 L193 K194 V274 L278 W345 I350L186-L190 HydrophobicContact CD1-CD1 4.04Å; L186-L190 HydrophobicContact CD1-CD2 4.36Å; L186-L190 HydrophobicContact CD1-CG 4.01Å; L186-L190 HydrophobicContact CD2-CD1 4.42Å; L186-L190 HydrophobicContact CG-CD1 3.82Å; L186-L190 HydrophobicContact CG-CG 4.2Å; L186-L190 WeakPolarHBondContact O-CB 3.17Å; L186-L190 VanDerWaalsContact O-CG 3.25Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.79Å; N187-L190 PolarHBondContact O-N 3.04Å; L190-L193 PolarHBondContact O-N 2.83Å; L190-K194 WeakPolarHBondContact O-CB 3.35Å; L190-K194 PolarHBondContact O-N 2.76Å; L190-V274 HydrophobicContact CD2-CG1 3.75Å; L190-L278 HydrophobicContact CB-CD1 4.27Å; L190-L278 HydrophobicContact CD2-CD1 3.93Å; L190-L278 HydrophobicContact CD2-CD2 4.38Å; L190-W345 HydrophobicContact CD1-CH2 4.28Å; L190-W345 HydrophobicContact CD1-CZ2 3.99Å; L190-W345 HydrophobicContact CD2-CH2 3.77Å; L190-W345 HydrophobicContact CD2-CZ2 4.14Å; L190-I350 HydrophobicContact CB-CD1 4.03Å; L190-I350 HydrophobicContact CB-CG2 4.07Å; L190-I350 VanDerWaalsContact O-CD1 3.26Å; L190-I350 WeakPolarHBondContact O-CD1 3.34Å
191G83.5Confident82Confident36 Ų3656 Ų5637%0.37129%0.291SS..Hα-helixtrans-60.4-50.4174.800000113.7N187 Q188 T189 K194 S195N187-G191 PolarHBondContact O-N 3.22Å; Q188-G191 PolarHBondContact O-N 3.18Å; T189-G191 VanDerWaalsContact C-N 3.27Å; T189-G191 PolarHBondContact O-N 3.06Å; G191-K194 PolarHBondContact O-N 3.12Å; G191-S195 PolarHBondContact O-N 3.05Å
192T86.2Confident81.9Confident83 Ų8354 Ų5451%0.50928%0.281SS..Hα-helixtrans-67.3-38176.356.50000111.8Q188 T189 K194 S195 V196Q188-T192 PolarHBondContact O-N 3.14Å; Q188-T192 VanDerWaalsContact O-N 3.07Å; Q188-T192 PolarHBondContact O-OG1 3.01Å; T189-T192 PolarHBondContact O-N 2.92Å; T189-T192 PolarHBondContact O-OG1 3.13Å; T189-T192 VanDerWaalsContact O-OG1 3.07Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 2.86Å; T192-S195 WeakPolarHBondContact O-CB 3.5Å; T192-S195 PolarHBondContact O-N 3.4Å; T192-V196 WeakPolarHBondContact O-CG2 3.29Å; T192-V196 PolarHBondContact O-N 3.01Å
193L86.3Confident81.7Confident11 Ų1156.2 Ų56.26%0.05830%0.299CS..Hα-helixtrans-65.3-33178.9-164.274.8000112.5T189 L190 G197 Q271 V274 M275 L278T189-L193 WeakPolarHBondContact O-CB 3.4Å; T189-L193 PolarHBondContact O-N 3.32Å; L190-L193 PolarHBondContact O-N 2.83Å; L193-G197 PolarHBondContact O-N 3.11Å; L193-Q271 HydrophobicContact CD1-CB 4.04Å; L193-Q271 HydrophobicContact CD1-CG 4.08Å; L193-V274 HydrophobicContact CD2-CB 3.74Å; L193-V274 HydrophobicContact CD2-CG1 3.54Å; L193-M275 HydrophobicContact CD1-CE 3.44Å; L193-M275 VanDerWaalsContact CD1-CE 3.44Å; L193-M275 HydrophobicContact CD1-CG 3.54Å; L193-M275 HydrophobicContact CD1-SD 4.27Å; L193-M275 HydrophobicContact CD2-CG 4.39Å; L193-M275 HydrophobicContact CG-CB 4.49Å; L193-M275 HydrophobicContact CG-CE 4.39Å; L193-M275 HydrophobicContact CG-CG 3.53Å; L193-M275 WeakPolarHBondContact O-CG 3.28Å; L193-L278 HydrophobicContact CB-CD1 4.27Å; L193-L278 HydrophobicContact CD2-CD1 4.13Å; L193-L278 HydrophobicContact CG-CD1 4.41Å
194K84.8Confident81.6Confident32 Ų3258 Ų5814%0.13931%0.31CS..Hα-helixtrans-66.3-49.8170.2177.5170.6175.51720111.6L190 G191 T192 V196 G197 E198 L278 I350L190-K194 WeakPolarHBondContact O-CB 3.35Å; L190-K194 PolarHBondContact O-N 2.76Å; G191-K194 PolarHBondContact O-N 3.12Å; T192-K194 VanDerWaalsContact C-N 3.32Å; T192-K194 PolarHBondContact O-N 2.86Å; K194-V196 VanDerWaalsContact C-N 3.28Å; K194-V196 PolarHBondContact O-N 3.18Å; K194-G197 WeakPolarHBondContact O-CA 3.35Å; K194-G197 PolarHBondContact O-N 3.4Å; K194-E198 WeakPolarHBondContact CE-OE1 2.98Å; K194-E198 VanDerWaalsContact CG-OE1 3.28Å; K194-E198 WeakPolarHBondContact CG-OE1 3.49Å; K194-E198 WeakPolarHBondContact O-CG 3.43Å; K194-E198 PolarHBondContact O-N 3.28Å; K194-L278 HydrophobicContact CB-CB 4.34Å; K194-L278 HydrophobicContact CB-CD1 4.3Å; K194-I350 HydrophobicContact CB-CD1 3.64Å; K194-I350 HydrophobicContact CD-CD1 3.57Å; K194-I350 HydrophobicContact CD-CG1 4.25Å; K194-I350 HydrophobicContact CG-CD1 4.23Å; K194-I350 PolarHBondContact NZ-O 3.03Å; K194-I350 VanDerWaalsContact NZ-O 3.11Å
195S83.7Confident81.5Confident76 Ų7657.1 Ų57.153%0.53131%0.306SS..Hα-helixtrans-54.1-44.7176.3-173.30000112.2G191 T192 E198 E199G191-S195 PolarHBondContact O-N 3.05Å; T192-S195 WeakPolarHBondContact O-CB 3.5Å; T192-S195 PolarHBondContact O-N 3.4Å; S195-E198 PolarHBondContact O-N 2.87Å; S195-E199 WeakPolarHBondContact O-CB 3.28Å; S195-E199 PolarHBondContact O-N 3.4Å
196V83.9Confident81.5Confident50 Ų5055.9 Ų55.930%0.30330%0.299SS..Hα-helixtrans-70.4-32.8177.31760000111.6T192 K194 N200 M275T192-V196 WeakPolarHBondContact O-CG2 3.29Å; T192-V196 PolarHBondContact O-N 3.01Å; K194-V196 VanDerWaalsContact C-N 3.28Å; K194-V196 PolarHBondContact O-N 3.18Å; V196-N200 WeakPolarHBondContact CG1-ND2 3.37Å; V196-N200 WeakPolarHBondContact O-CB 3.33Å; V196-N200 PolarHBondContact O-N 2.92Å; V196-N200 PolarHBondContact O-ND2 2.88Å; V196-M275 HydrophobicContact CB-CE 4.03Å; V196-M275 HydrophobicContact CG1-CE 3.46Å; V196-M275 VanDerWaalsContact CG1-CE 3.46Å; V196-M275 HydrophobicContact CG1-SD 4.32Å
197G82.4Confident81Confident0 Ų061.9 Ų61.90%033%0.329CS..Hα-helixtrans-69-34.1175.400000113.8L193 K194 K201 Y202L193-G197 PolarHBondContact O-N 3.11Å; K194-G197 WeakPolarHBondContact O-CA 3.35Å; K194-G197 PolarHBondContact O-N 3.4Å; G197-K201 PolarHBondContact O-N 3.2Å; G197-Y202 PolarHBondContact O-N 2.98Å
198E81.7Confident80.6Confident108 Ų10863.8 Ų63.851%0.50534%0.337SS..Hα-helixtrans-70.3-45.3172.8-70.8170.9-168.600110.6K194 S195 N200 K201 V279K194-E198 WeakPolarHBondContact CE-OE1 2.98Å; K194-E198 VanDerWaalsContact CG-OE1 3.28Å; K194-E198 WeakPolarHBondContact CG-OE1 3.49Å; K194-E198 WeakPolarHBondContact O-CG 3.43Å; K194-E198 PolarHBondContact O-N 3.28Å; S195-E198 PolarHBondContact O-N 2.87Å; E198-N200 VanDerWaalsContact C-N 3.34Å; E198-N200 PolarHBondContact O-N 3.34Å; E198-K201 WeakPolarHBondContact O-CA 3.4Å; E198-K201 PolarHBondContact O-N 3.4Å; E198-V279 HydrophobicContact CG-CG2 4.04Å
199E77.1Confident80.2Confident146 Ų14658.6 Ų58.668%0.68231%0.313SS*.Hα-helixtrans-56.2-43.3172.3-179.5-176.8-158.500112.6S195 K201S195-E199 WeakPolarHBondContact O-CB 3.28Å; S195-E199 PolarHBondContact O-N 3.4Å; E199-K201 PolarHBondContact O-N 3.28Å
200N79.6Confident79.7Confident59 Ų5962.3 Ų62.332%0.31633%0.328SS..THydrogen-bonded Turntrans-74.63.5176-80.2-101.7000113.6V196 E198 Y202 Q205V196-N200 WeakPolarHBondContact CG1-ND2 3.37Å; V196-N200 WeakPolarHBondContact O-CB 3.33Å; V196-N200 PolarHBondContact O-N 2.92Å; V196-N200 PolarHBondContact O-ND2 2.88Å; E198-N200 VanDerWaalsContact C-N 3.34Å; E198-N200 PolarHBondContact O-N 3.34Å; N200-Y202 HydrophobicContact CB-CD1 4.33Å; N200-Y202 HydrophobicContact CB-CD2 3.9Å; N200-Y202 HydrophobicContact CB-CE1 3.93Å; N200-Y202 HydrophobicContact CB-CE2 3.47Å; N200-Y202 VanDerWaalsContact CB-CE2 3.47Å; N200-Y202 HydrophobicContact CB-CG 4.3Å; N200-Y202 VanDerWaalsContact CB-CZ 3.46Å; N200-Y202 PolarHBondContact O-N 2.88Å; N200-Y202 VanDerWaalsContact O-N 3.15Å; N200-Y202 PolarHBondContact OD1-OH 3.24Å; N200-Q205 PolarHBondContact O-NE2 3.44Å
201K79.5Confident79Confident109 Ų10967.4 Ų67.447%0.47435%0.35SS..THydrogen-bonded Turntrans53.833.6177.3-68.5163.7150.2-77.60113.7G197 E198 E199 A203 E204 Q205G197-K201 PolarHBondContact O-N 3.2Å; E198-K201 WeakPolarHBondContact O-CA 3.4Å; E198-K201 PolarHBondContact O-N 3.4Å; E199-K201 PolarHBondContact O-N 3.28Å; K201-A203 PolarHBondContact O-N 3.06Å; K201-A203 VanDerWaalsContact O-N 3.14Å; K201-E204 HydrophobicContact CB-CB 4.35Å; K201-E204 HydrophobicContact CB-CG 4.38Å; K201-E204 IonicContact NZ-OE1 3.81Å; K201-E204 PolarHBondContact NZ-OE1 3.15Å; K201-E204 IonicContact NZ-OE2 3.65Å; K201-E204 PolarHBondContact NZ-OE2 3.2Å; K201-E204 WeakPolarHBondContact O-CB 3.38Å; K201-E204 PolarHBondContact O-N 3.11Å; K201-Q205 PolarHBondContact O-N 3.21Å
202Y78Confident78.3Confident9 Ų970.4 Ų70.44%0.03535%0.353CS..Hα-helixtrans-61.6-29.1-173.6-71.6-47.2000113.5G197 N200 E204 Q205 I206 M275 L276 I293G197-Y202 PolarHBondContact O-N 2.98Å; N200-Y202 HydrophobicContact CB-CD1 4.33Å; N200-Y202 HydrophobicContact CB-CD2 3.9Å; N200-Y202 HydrophobicContact CB-CE1 3.93Å; N200-Y202 HydrophobicContact CB-CE2 3.47Å; N200-Y202 VanDerWaalsContact CB-CE2 3.47Å; N200-Y202 HydrophobicContact CB-CG 4.3Å; N200-Y202 VanDerWaalsContact CB-CZ 3.46Å; N200-Y202 PolarHBondContact O-N 2.88Å; N200-Y202 VanDerWaalsContact O-N 3.15Å; N200-Y202 PolarHBondContact OD1-OH 3.24Å; Y202-E204 VanDerWaalsContact C-N 3.35Å; Y202-E204 PolarHBondContact O-N 3.04Å; Y202-Q205 PolarHBondContact O-N 2.87Å; Y202-I206 WeakPolarHBondContact O-CD1 3.5Å; Y202-I206 WeakPolarHBondContact O-CG1 3.41Å; Y202-I206 PolarHBondContact O-N 2.82Å; Y202-M275 HydrophobicContact CD2-CB 3.96Å; Y202-M275 HydrophobicContact CE2-CB 3.88Å; Y202-M275 HydrophobicContact CE2-CG 4.36Å; Y202-M275 HydrophobicContact CE2-SD 3.67Å; Y202-L276 HydrophobicContact CD1-CD2 4.37Å; Y202-L276 HydrophobicContact CG-CD2 4.13Å; Y202-I293 HydrophobicContact CD1-CG2 3.68Å; Y202-I293 HydrophobicContact CE1-CG2 3.85Å
203A74.8Confident77.4Confident45 Ų4568.5 Ų68.537%0.37234%0.339SS..Hα-helixtrans-57.1-44.9171.600000112.6K201 I206 M207 V279K201-A203 PolarHBondContact O-N 3.06Å; K201-A203 VanDerWaalsContact O-N 3.14Å; A203-I206 PolarHBondContact O-N 2.97Å; A203-M207 WeakPolarHBondContact O-CB 3.44Å; A203-M207 PolarHBondContact O-N 2.83Å; A203-V279 HydrophobicContact CB-CG1 3.88Å
204E76.6Confident76.3Confident96 Ų9675.7 Ų75.745%0.44937%0.366SS..Hα-helixtrans-64.1-44.3176.7-62.9172.3-157.600110.5K201 Y202 I206 M207 M208K201-E204 HydrophobicContact CB-CB 4.35Å; K201-E204 HydrophobicContact CB-CG 4.38Å; K201-E204 IonicContact NZ-OE1 3.81Å; K201-E204 PolarHBondContact NZ-OE1 3.15Å; K201-E204 IonicContact NZ-OE2 3.65Å; K201-E204 PolarHBondContact NZ-OE2 3.2Å; K201-E204 WeakPolarHBondContact O-CB 3.38Å; K201-E204 PolarHBondContact O-N 3.11Å; Y202-E204 VanDerWaalsContact C-N 3.35Å; Y202-E204 PolarHBondContact O-N 3.04Å; E204-I206 PolarHBondContact O-N 3.14Å; E204-M207 PolarHBondContact O-N 3Å; E204-M208 WeakPolarHBondContact O-CB 3.5Å; E204-M208 WeakPolarHBondContact O-CG 3.2Å; E204-M208 PolarHBondContact O-N 3.26Å
205Q74.7Confident75.2Confident68 Ų6878.7 Ų78.732%0.31838%0.381SS..Hα-helixtrans-63.3-41.8178.7-59.8-174.744.400112.6N200 K201 Y202 M208 I209 I293N200-Q205 PolarHBondContact O-NE2 3.44Å; K201-Q205 PolarHBondContact O-N 3.21Å; Y202-Q205 PolarHBondContact O-N 2.87Å; Q205-M208 PolarHBondContact O-N 3.03Å; Q205-I209 WeakPolarHBondContact O-CB 3.39Å; Q205-I209 WeakPolarHBondContact O-CG1 3.48Å; Q205-I209 PolarHBondContact O-N 3.35Å; Q205-I293 HydrophobicContact CB-CG1 4.38Å
206I77.7Confident73.9Confident11 Ų1180.7 Ų80.76%0.05638%0.382CS..Hα-helixtrans-61.5-45.5174.2-65.5156000110.5Y202 A203 E204 I209 K210 L276 S280 V289 I293Y202-I206 WeakPolarHBondContact O-CD1 3.5Å; Y202-I206 WeakPolarHBondContact O-CG1 3.41Å; Y202-I206 PolarHBondContact O-N 2.82Å; A203-I206 PolarHBondContact O-N 2.97Å; E204-I206 PolarHBondContact O-N 3.14Å; I206-I209 PolarHBondContact O-N 2.72Å; I206-K210 HydrophobicContact CG2-CD 4.04Å; I206-K210 HydrophobicContact CG2-CG 4.5Å; I206-K210 WeakPolarHBondContact O-CB 3.49Å; I206-K210 WeakPolarHBondContact O-CG 3.48Å; I206-K210 PolarHBondContact O-N 2.65Å; I206-L276 HydrophobicContact CD1-CD2 3.77Å; I206-L276 HydrophobicContact CG1-CD2 3.89Å; I206-S280 WeakPolarHBondContact CD1-OG 3.3Å; I206-V289 HydrophobicContact CG2-CG1 4.5Å; I206-I293 HydrophobicContact CB-CD1 4.37Å; I206-I293 HydrophobicContact CG1-CD1 3.45Å; I206-I293 VanDerWaalsContact CG1-CD1 3.45Å
207M73.9Confident72.5Confident127 Ų12782.7 Ų82.763%0.62639%0.388SS*.Hα-helixtrans-64.7-44.4-180-174.1177.169.200111.6A203 E204 I209 K210 K211A203-M207 WeakPolarHBondContact O-CB 3.44Å; A203-M207 PolarHBondContact O-N 2.83Å; E204-M207 PolarHBondContact O-N 3Å; M207-I209 PolarHBondContact O-N 2.91Å; M207-K210 PolarHBondContact O-N 3.4Å; M207-K211 WeakPolarHBondContact O-CB 3.18Å; M207-K211 PolarHBondContact O-N 2.84Å
208M74.7Confident70.8Confident126 Ų12689 Ų8962%0.62142%0.415SS*.Hα-helixtrans-62.8-40.6177.5-70.2-73.1-85.900112E204 Q205 K211 K212E204-M208 WeakPolarHBondContact O-CB 3.5Å; E204-M208 WeakPolarHBondContact O-CG 3.2Å; E204-M208 PolarHBondContact O-N 3.26Å; Q205-M208 PolarHBondContact O-N 3.03Å; M208-K211 PolarHBondContact O-N 3.35Å; M208-K212 WeakPolarHBondContact O-CB 3.36Å; M208-K212 PolarHBondContact O-N 3.08Å
209I76.2Confident69.2Low31 Ų3189.1 Ų89.116%0.15942%0.42CS..Hα-helixtrans-69.1-45.2176.9-73.1162.7000111.5Q205 I206 M207 K211 K212 E213 V289 K292 I293Q205-I209 WeakPolarHBondContact O-CB 3.39Å; Q205-I209 WeakPolarHBondContact O-CG1 3.48Å; Q205-I209 PolarHBondContact O-N 3.35Å; I206-I209 PolarHBondContact O-N 2.72Å; M207-I209 PolarHBondContact O-N 2.91Å; I209-K211 VanDerWaalsContact C-N 3.26Å; I209-K211 PolarHBondContact O-N 3.03Å; I209-K212 PolarHBondContact O-N 3.1Å; I209-E213 HydrophobicContact CG2-CG 4.44Å; I209-E213 WeakPolarHBondContact O-CB 3.48Å; I209-E213 VanDerWaalsContact O-CG 3.31Å; I209-E213 WeakPolarHBondContact O-CG 3.39Å; I209-E213 PolarHBondContact O-N 3.13Å; I209-V289 HydrophobicContact CG2-CG1 4.13Å; I209-V289 HydrophobicContact CG2-CG2 4.19Å; I209-K292 HydrophobicContact CD1-CB 3.89Å; I209-K292 HydrophobicContact CG2-CD 3.7Å; I209-I293 HydrophobicContact CD1-CD1 4.2Å; I209-I293 HydrophobicContact CD1-CG1 3.35Å
210K72.8Confident67.5Low85 Ų8588.7 Ų88.737%0.3742%0.416SS..Hα-helixtrans-61.2-35.9175.1-74.3178.8178.5178.10112.1I206 M207 Y214I206-K210 HydrophobicContact CG2-CD 4.04Å; I206-K210 HydrophobicContact CG2-CG 4.5Å; I206-K210 WeakPolarHBondContact O-CB 3.49Å; I206-K210 WeakPolarHBondContact O-CG 3.48Å; I206-K210 PolarHBondContact O-N 2.65Å; M207-K210 PolarHBondContact O-N 3.4Å; K210-Y214 PolarHBondContact O-N 2.87Å
211K72.1Confident66.1Low107 Ų10792.5 Ų92.547%0.46543%0.434SS..Hα-helixtrans-66.3-48.8173.4-172.2-178.8179.3-80.50111.5M207 M208 I209 E213 Y214 E215M207-K211 WeakPolarHBondContact O-CB 3.18Å; M207-K211 PolarHBondContact O-N 2.84Å; M208-K211 PolarHBondContact O-N 3.35Å; I209-K211 VanDerWaalsContact C-N 3.26Å; I209-K211 PolarHBondContact O-N 3.03Å; K211-E213 VanDerWaalsContact C-N 3.26Å; K211-E213 PolarHBondContact O-N 2.7Å; K211-Y214 PolarHBondContact O-N 3.37Å; K211-Y214 VanDerWaalsContact O-N 3.16Å; K211-E215 WeakPolarHBondContact CE-OE1 3.19Å; K211-E215 IonicContact NZ-OE1 2.8Å; K211-E215 PolarHBondContact NZ-OE1 2.99Å; K211-E215 IonicContact NZ-OE2 3.39Å; K211-E215 PolarHBondContact NZ-OE2 3.22Å; K211-E215 WeakPolarHBondContact O-CG 3.3Å; K211-E215 PolarHBondContact O-N 3.32Å
212K68.9Low64.3Low100 Ų10095 Ų9544%0.43545%0.446SS..Hα-helixtrans-60-36.1176.8-166.7175-176.5-177.30111.4M208 I209 Q216 D298M208-K212 WeakPolarHBondContact O-CB 3.36Å; M208-K212 PolarHBondContact O-N 3.08Å; I209-K212 PolarHBondContact O-N 3.1Å; K212-Q216 WeakPolarHBondContact O-CB 3.49Å; K212-Q216 PolarHBondContact O-N 2.87Å; K212-D298 IonicContact NZ-OD1 2.67Å; K212-D298 PolarHBondContact NZ-OD1 2.91Å; K212-D298 IonicContact NZ-OD2 3.65Å; K212-D298 PolarHBondContact NZ-OD2 2.75Å
213E66Low62.6Low43 Ų4399.3 Ų99.320%0.20148%0.477CS..Hα-helixtrans-65.7-47173.2-73.6170.2159.300112.1I209 K211 Q216 E217 K292I209-E213 HydrophobicContact CG2-CG 4.44Å; I209-E213 WeakPolarHBondContact O-CB 3.48Å; I209-E213 VanDerWaalsContact O-CG 3.31Å; I209-E213 WeakPolarHBondContact O-CG 3.39Å; I209-E213 PolarHBondContact O-N 3.13Å; K211-E213 VanDerWaalsContact C-N 3.26Å; K211-E213 PolarHBondContact O-N 2.7Å; E213-Q216 PolarHBondContact O-N 2.62Å; E213-E217 PolarHBondContact O-N 2.74Å; E213-K292 IonicContact OE1-NZ 3.52Å; E213-K292 PolarHBondContact OE1-NZ 3.19Å
214Y63Low61.2Low161 Ų161106.6 Ų106.663%0.63150%0.496SS*.Hα-helixtrans-62.8-42.7177-175.8-90.9000113K210 K211 E217 F218K210-Y214 PolarHBondContact O-N 2.87Å; K211-Y214 PolarHBondContact O-N 3.37Å; K211-Y214 VanDerWaalsContact O-N 3.16Å; Y214-E217 PolarHBondContact O-N 3.11Å; Y214-F218 HydrophobicContact CE1-CD2 4.24Å; Y214-F218 AromaticContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE2-CE2 4.44Å; Y214-F218 AromaticContact CZ-CE2 3.78Å
215E62.3Low59.8Low95 Ų95106.4 Ų106.444%0.44451%0.505SS..Hα-helixtrans-68.4-37.7178.3-67.3175.5142.400111.4K211 E217 F218 D219K211-E215 WeakPolarHBondContact CE-OE1 3.19Å; K211-E215 IonicContact NZ-OE1 2.8Å; K211-E215 PolarHBondContact NZ-OE1 2.99Å; K211-E215 IonicContact NZ-OE2 3.39Å; K211-E215 PolarHBondContact NZ-OE2 3.22Å; K211-E215 WeakPolarHBondContact O-CG 3.3Å; K211-E215 PolarHBondContact O-N 3.32Å; E215-E217 VanDerWaalsContact C-N 3.31Å; E215-E217 PolarHBondContact O-N 3.18Å; E215-F218 PolarHBondContact O-N 2.86Å; E215-D219 PolarHBondContact O-N 3.14Å
216Q56.3Low58.2Low118 Ų118110 Ų11055%0.55153%0.525SS*.Hα-helixtrans-67.9-23.8179.2-172.9167.140.600113.9K212 E213K212-Q216 WeakPolarHBondContact O-CB 3.49Å; K212-Q216 PolarHBondContact O-N 2.87Å; E213-Q216 PolarHBondContact O-N 2.62Å
217E54.4Low56.6Low92 Ų92118.8 Ų118.843%0.4357%0.566SS.*Hα-helixtrans-77.2-22.7173.6-64.7-155142.200113.3E213 Y214 E215 R337E213-E217 PolarHBondContact O-N 2.74Å; Y214-E217 PolarHBondContact O-N 3.11Å; E215-E217 VanDerWaalsContact C-N 3.31Å; E215-E217 PolarHBondContact O-N 3.18Å; E217-R337 WeakPolarHBondContact OE1-CD 3.28Å; E217-R337 IonicContact OE1-CZ 2.77Å; E217-R337 IonicContact OE1-NE 2.76Å; E217-R337 IonicContact OE1-NH1 2.71Å; E217-R337 PolarHBondContact OE1-NH1 3.45Å
218F46.7Very low54.7Low132 Ų132119.7 Ų119.758%0.57957%0.574SS**Hα-helixtrans-76.6-41.2174.8-91.6-93.6000113Y214 E215 F220 I221Y214-F218 HydrophobicContact CE1-CD2 4.24Å; Y214-F218 AromaticContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE1-CE2 3.89Å; Y214-F218 HydrophobicContact CE2-CE2 4.44Å; Y214-F218 AromaticContact CZ-CE2 3.78Å; E215-F218 PolarHBondContact O-N 2.86Å; F218-F220 VanDerWaalsContact C-N 3.28Å; F218-F220 PolarHBondContact O-N 3.06Å; F218-I221 PolarHBondContact O-N 3.46Å
219D47.3Very low53.2Low112 Ų112122.5 Ų122.560%0.59959%0.585SS**Hα-helixtrans-65.5-29.9180-82.9-31.5000112.9E215 I221 K222 S223E215-D219 PolarHBondContact O-N 3.14Å; D219-I221 PolarHBondContact O-N 3.24Å; D219-K222 PolarHBondContact O-N 2.8Å; D219-S223 PolarHBondContact O-N 3.3Å
220F42.3Very low51.5Low137 Ų137128.2 Ų128.260%0.60161%0.614SS**Hα-helixtrans-62.7-27.7178.7-163.4-93.5000113.2F218F218-F220 VanDerWaalsContact C-N 3.28Å; F218-F220 PolarHBondContact O-N 3.06Å
221I50.2Low50.2Low138 Ų138131.1 Ų131.171%0.70863%0.632SS**Hα-helixtrans-77.3-28.6176.9-61.1177.3000111F218 D219F218-I221 PolarHBondContact O-N 3.46Å; D219-I221 PolarHBondContact O-N 3.24Å
222K42Very low48.4Very low163 Ų163135.5 Ų135.571%0.70965%0.651SS**Hα-helixtrans-80.8-22.1-176.7-162.4175.6179.2-174.30113.6D219 Y224 S225D219-K222 PolarHBondContact O-N 2.8Å; K222-Y224 PolarHBondContact O-N 3.35Å; K222-S225 PolarHBondContact O-N 3.02Å
223S42.9Very low46.4Very low98 Ų98135.3 Ų135.369%0.68566%0.662SS**THydrogen-bonded Turntrans-672.7-172.6-167.90000116.6D219D219-S223 PolarHBondContact O-N 3.3Å
224Y44.8Very low44.8Very low198 Ų198141.4 Ų141.478%0.77670%0.696SS**THydrogen-bonded Turntrans-100.110-179.9-73.5-76.8000114.4K222K222-Y224 PolarHBondContact O-N 3.35Å
225S46.8Very low43.2Very low93 Ų93140.2 Ų140.265%0.6571%0.706SS**SBendtrans-146142.7171.6-162.60000111.3K222K222-S225 PolarHBondContact O-N 3.02Å
226I41.5Very low41.6Very low143 Ų143138.5 Ų138.573%0.73371%0.714SS**  trans71.992.8-176.5-50.1171.9000113.1D228I226-D228 HydrophobicContact CG2-CB 4.04Å
227E44.1Very low41Very low195 Ų195139 Ų13991%0.91173%0.727SS**  trans-64.7124.5144.8-62.7178.3132.700107.9
228D34.2Very low39.7Very low147 Ų147142.6 Ų142.679%0.78675%0.749SS**  trans-158.5118.8157.2-122.3-24.6000110.7I226I226-D228 HydrophobicContact CG2-CB 4.04Å
229H42.9Very low38.8Very low184 Ų184139.8 Ų139.885%0.85276%0.758SS**  trans-84.1124.6166.5-81.9-90.9000108.7
230I40.8Very low38.2Very low152 Ų152142.4 Ų142.478%0.77977%0.766SS**  trans-168118.4142.5-102.2147.5000114.1
231I44.1Very low37.7Very low145 Ų145140.7 Ų140.774%0.74477%0.769SS**  trans26.1110.6140.7-42.1173.1000119.2
232K34.1Very low37.3Very low199 Ų199139.9 Ų139.987%0.86577%0.766SS**  trans179.4147.6134.4-94.8143.4-170.7170.50109.6
233S28.4Very low36.9Very low96 Ų96138.3 Ų138.367%0.67177%0.77SS**  cis-164.3143.8-16.644.20000109.1
234N31.2Very low36.4Very low171 Ų171138.7 Ų138.791%0.91477%0.771SS**  trans-59.8141.7173.5-75.5-59.5000111.8
235T31.1Very low35.7Very low137 Ų137136.8 Ų136.884%0.8477%0.767SS**  trans-139.6133.1162.2-68.10000107.5
236G27.1Very low35.5Very low58 Ų58138.6 Ų138.660%0.59877%0.774SS**  trans-78.7161.7-159.300000115.7
237P43.7Very low35.5Very low129 Ų129138.7 Ų138.784%0.83877%0.771SS**  trans-73.4132.2177.731.2-34.6000111.6
238N28Very low35Very low167 Ų167137 Ų13789%0.89377%0.767SS**  trans-157.2145.7171.5-93.9-48.5000110.6
239G26.4Very low35.2Very low74 Ų74135.6 Ų135.676%0.76377%0.767SS**  trans90.563.2160.600000117.8
240H36.2Very low34.6Very low167 Ų167130.6 Ų130.677%0.77377%0.765SS**  trans-62.2148.2161.1-178.9-129.8000111.6D242H240-D242 PolarHBondContact CD2-N 3.37Å; H240-D242 PolarHBondContact ND1-N 3.5Å; H240-D242 WeakPolarHBondContact NE2-CB 3.46Å; H240-D242 IonicContact NE2-OD1 2.7Å; H240-D242 IonicContact NE2-OD2 3.85Å; H240-D242 PolarHBondContact NE2-OD2 3.24Å
241P32.2Very low34.6Very low100 Ų100128.8 Ų128.865%0.64976%0.761SS**  -138.7117124.434.9-22.2000114.4V243P241-V243 PolarHBondContact O-N 3.45Å
242D40.8Very low34.1Very low121 Ų121130.9 Ų130.965%0.64777%0.767SS**  trans-53.4126.3146.7-102.8-42.4000107.7H240H240-D242 PolarHBondContact CD2-N 3.37Å; H240-D242 PolarHBondContact ND1-N 3.5Å; H240-D242 WeakPolarHBondContact NE2-CB 3.46Å; H240-D242 IonicContact NE2-OD1 2.7Å; H240-D242 IonicContact NE2-OD2 3.85Å; H240-D242 PolarHBondContact NE2-OD2 3.24Å
243V34.2Very low34Very low131 Ų131130.3 Ų130.379%0.79477%0.765SS**  trans-113.5106.6163.1-73.70000108.3P241P241-V243 PolarHBondContact O-N 3.45Å
244C31.9Very low34.6Very low106 Ų106137.7 Ų137.772%0.71678%0.778SS**  trans-60.5142.6-174-63.80000112.2V246C244-V246 PolarHBondContact O-N 3.46Å; C244-V246 VanDerWaalsContact O-N 3.12Å
245F30.3Very low34.9Very low157 Ų157133.7 Ų133.769%0.68977%0.769SS**  trans-60.3111.6163.8175.1-105.8000109.9E247F245-E247 HydrophobicContact CD1-CB 4.27Å; F245-E247 HydrophobicContact CE1-CB 3.77Å; F245-E247 HydrophobicContact CE1-CG 4.43Å; F245-E247 HydrophobicContact CZ-CB 4.47Å; F245-E247 PolarHBondContact O-N 3.46Å
246V43.2Very low34.8Very low132 Ų132131.1 Ų131.180%0.876%0.762SS**  trans-93.790.3176.7-176.90000109.6C244C244-V246 PolarHBondContact O-N 3.46Å; C244-V246 VanDerWaalsContact O-N 3.12Å
247E40.8Very low35.2Very low145 Ų145134.4 Ų134.468%0.67878%0.776SS**  trans-69.8146.6162-171.5178.6165.400110.5F245F245-E247 HydrophobicContact CD1-CB 4.27Å; F245-E247 HydrophobicContact CE1-CB 3.77Å; F245-E247 HydrophobicContact CE1-CG 4.43Å; F245-E247 HydrophobicContact CZ-CB 4.47Å; F245-E247 PolarHBondContact O-N 3.46Å
248L33.7Very low34.6Very low158 Ų158132 Ų13283%0.82776%0.758SS**  trans157.1157.7151.4-86.4156.4000109.6
249P38.2Very low35.5Very low118 Ų118128.1 Ų128.177%0.76674%0.738SS**SBendcis-126.2152.8-35.435.5-21.7000112.3
250G31Very low36.5Very low79 Ų79129.9 Ų129.981%0.81474%0.738SS**SBendtrans169.1-37.6163.600000119.3
251V40.1Very low37.1Very low115 Ų115132.1 Ų132.170%0.69774%0.74SS**  trans-135.3116-175.5-173.70000110.3F253V251-F253 HydrophobicContact CG1-CD2 3.94Å; V251-F253 HydrophobicContact CG1-CE2 3.69Å; V251-F253 PolarHBondContact O-N 3.4Å
252E33.2Very low38.1Very low189 Ų189133.5 Ų133.588%0.88374%0.735SS**  trans-76.6104.5-177.2-63.9-169.1144.400112.3
253F32.7Very low38.9Very low186 Ų186131 Ų13182%0.81672%0.722SS**  trans-112.293.8161.9-80.3-72.8000110.8V251 A255V251-F253 HydrophobicContact CG1-CD2 3.94Å; V251-F253 HydrophobicContact CG1-CE2 3.69Å; V251-F253 PolarHBondContact O-N 3.4Å; F253-A255 VanDerWaalsContact C-N 3.3Å; F253-A255 PolarHBondContact O-N 3.43Å
254R41.1Very low40.6Very low251 Ų251133.2 Ų133.295%0.94772%0.721SS**  trans-71.370.3-171.3-129.1-68.1-153.7-1251.7112.9
255A36Very low42.9Very low87 Ų87130 Ų13072%0.71970%0.7SS**  trans-134.867.3-176.600000113.9F253F253-A255 VanDerWaalsContact C-N 3.3Å; F253-A255 PolarHBondContact O-N 3.43Å
256A30.2Very low45.6Very low84 Ų84123.7 Ų123.769%0.69467%0.673SS**  trans35.4118.516200000119.4V258A256-V258 HydrophobicContact CB-CG2 4.22Å; A256-V258 PolarHBondContact O-N 2.88Å
257S35Very low47.8Very low127 Ų127119.7 Ų119.789%0.88864%0.644SS**  trans-61.6103.6167.6-175.60000111.6
258V30.7Very low50Low77 Ų77114 Ų11447%0.46762%0.619SS.*  trans-140.346.7173.2-163.10000108.9A256 S260 R261A256-V258 HydrophobicContact CB-CG2 4.22Å; A256-V258 PolarHBondContact O-N 2.88Å; V258-S260 PolarHBondContact O-N 3Å; V258-R261 HydrophobicContact CG1-CB 3.91Å; V258-R261 PolarHBondContact O-N 2.89Å
259N48.4Very low52.5Low87 Ų87107.4 Ų107.447%0.46558%0.584SS.*Hα-helixtrans-61.8-49.2-160.9-152.717.7000113.2R261 K262 D263N259-R261 PolarHBondContact O-N 3.23Å; N259-R261 VanDerWaalsContact O-N 3.1Å; N259-K262 WeakPolarHBondContact O-CA 3.47Å; N259-K262 WeakPolarHBondContact O-CB 3.3Å; N259-K262 PolarHBondContact O-N 3.3Å; N259-D263 PolarHBondContact O-N 2.97Å
260S46.7Very low54.9Low110 Ų110101.8 Ų101.877%0.76955%0.548SS*.Hα-helixtrans-60.8-23.8-17858.90000114.9V258V258-S260 PolarHBondContact O-N 3Å
261R47.8Very low57.7Low214 Ų21499.9 Ų99.981%0.80852%0.518SS*.Hα-helixtrans-82.3-16.6175.1-154.9178.8-69.5-169-0.1112.3V258 N259V258-R261 HydrophobicContact CG1-CB 3.91Å; V258-R261 PolarHBondContact O-N 2.89Å; N259-R261 PolarHBondContact O-N 3.23Å; N259-R261 VanDerWaalsContact O-N 3.1Å
262K54.4Low60Low129 Ų12997 Ų9756%0.56150%0.496SS*.Hα-helixtrans-92.1-18.8-178-161.9177.5179-1750113.2N259 K264 S265N259-K262 WeakPolarHBondContact O-CA 3.47Å; N259-K262 WeakPolarHBondContact O-CB 3.3Å; N259-K262 PolarHBondContact O-N 3.3Å; K262-K264 PolarHBondContact O-N 3.42Å; K262-K264 VanDerWaalsContact O-N 3.11Å; K262-S265 WeakPolarHBondContact O-CB 3.47Å; K262-S265 PolarHBondContact O-N 3.46Å
263D58.1Low62.6Low69 Ų6988 Ų8837%0.36945%0.453SS..THydrogen-bonded Turntrans-57-25.7179.2-108.3-71.5000114.9N259 S265 K272N259-D263 PolarHBondContact O-N 2.97Å; D263-S265 PolarHBondContact O-N 3.03Å; D263-K272 IonicContact OD1-NZ 2.91Å; D263-K272 PolarHBondContact OD1-NZ 2.84Å
264K69.5Low65.2Low177 Ų17779.1 Ų79.177%0.7742%0.415SS*.THydrogen-bonded Turntrans-812.2174.5-71.9173.4-179.8166.80113.9K262K262-K264 PolarHBondContact O-N 3.42Å; K262-K264 VanDerWaalsContact O-N 3.11Å
265S80.9Confident67.3Low39 Ų3968 Ų6827%0.27337%0.374SS..SBendtrans-70.1144.5179-179.20000112.4K262 D263 R267 V268 M269K262-S265 WeakPolarHBondContact O-CB 3.47Å; K262-S265 PolarHBondContact O-N 3.46Å; D263-S265 PolarHBondContact O-N 3.03Å; S265-R267 PolarHBondContact O-N 2.96Å; S265-R267 PolarHBondContact OG-N 3.41Å; S265-V268 PolarHBondContact O-N 3.05Å; S265-V268 VanDerWaalsContact O-N 3.16Å; S265-M269 PolarHBondContact O-N 3.38Å
266L85.9Confident69.6Low25 Ų2563.9 Ų63.913%0.13134%0.34CS..Hα-helixtrans-58.2-28.7172.9-166.171.5000112.1D159 N162 S270 R314 I318D159-L266 HydrophobicContact CB-CD2 4.43Å; N162-L266 HydrophobicContact CB-CD2 4.18Å; L266-S270 WeakPolarHBondContact O-CB 3.18Å; L266-S270 PolarHBondContact O-N 3.28Å; L266-S270 PolarHBondContact O-OG 3.31Å; L266-R314 HydrophobicContact CD1-CB 3.91Å; L266-R314 HydrophobicContact CD1-CG 4.18Å; L266-I318 HydrophobicContact CD1-CD1 3.83Å; L266-I318 HydrophobicContact CD1-CG1 4.01Å; L266-I318 HydrophobicContact CG-CD1 4.47Å; L266-I318 HydrophobicContact CG-CG1 4.47Å
267R88.9Confident72.1Confident47 Ų4759.9 Ų59.918%0.17731%0.306CS..Hα-helixtrans-65.1-51.6174.5-161.4-173.4-44.5-48.34.4111.7N162 E165 S265 M269 S270 Q271N162-R267 PolarHBondContact O-NH1 2.92Å; N162-R267 VanDerWaalsContact O-NH1 3.09Å; N162-R267 PolarHBondContact OD1-NH1 2.89Å; E165-R267 IonicContact OE1-CZ 3.69Å; E165-R267 IonicContact OE1-NE 3.91Å; E165-R267 IonicContact OE1-NH1 2.75Å; E165-R267 IonicContact OE1-NH2 3.65Å; E165-R267 PolarHBondContact OE1-NH2 3.02Å; E165-R267 IonicContact OE2-CZ 2.7Å; E165-R267 IonicContact OE2-NH1 3.64Å; E165-R267 PolarHBondContact OE2-NH1 2.86Å; E165-R267 IonicContact OE2-NH2 3.32Å; E165-R267 PolarHBondContact OE2-NH2 3.48Å; S265-R267 PolarHBondContact O-N 2.96Å; S265-R267 PolarHBondContact OG-N 3.41Å; R267-M269 VanDerWaalsContact C-N 3.31Å; R267-M269 PolarHBondContact O-N 2.7Å; R267-S270 PolarHBondContact O-N 3.07Å; R267-S270 PolarHBondContact O-OG 2.8Å; R267-Q271 WeakPolarHBondContact O-CB 3.25Å; R267-Q271 PolarHBondContact O-N 2.95Å
268V87.1Confident74.4Confident27 Ų2755 Ų5516%0.16427%0.27CS..Hα-helixtrans-65.1-39.1179.5-179.20000110.4S265 Q271 K272S265-V268 PolarHBondContact O-N 3.05Å; S265-V268 VanDerWaalsContact O-N 3.16Å; V268-Q271 PolarHBondContact O-N 3.44Å; V268-K272 HydrophobicContact CG1-CD 3.99Å; V268-K272 HydrophobicContact CG1-CG 4.36Å; V268-K272 WeakPolarHBondContact O-CB 3.21Å; V268-K272 WeakPolarHBondContact O-CG 3.11Å; V268-K272 PolarHBondContact O-N 2.86Å
269M87.1Confident76.6Confident19 Ų1952.1 Ų52.19%0.09425%0.253CS..Hα-helixtrans-62.4-42.8175-169.5-176.7-58.700112.7S265 R267 F273 L294 K311 R314 L315 I318S265-M269 PolarHBondContact O-N 3.38Å; R267-M269 VanDerWaalsContact C-N 3.31Å; R267-M269 PolarHBondContact O-N 2.7Å; M269-F273 WeakPolarHBondContact O-CB 3.26Å; M269-F273 PolarHBondContact O-N 2.96Å; M269-L294 HydrophobicContact CG-CD1 4.08Å; M269-L294 HydrophobicContact CG-CD2 4.37Å; M269-K311 HydrophobicContact CE-CB 4.44Å; M269-K311 HydrophobicContact CE-CG 3.9Å; M269-R314 HydrophobicContact CE-CB 4.23Å; M269-R314 HydrophobicContact SD-CB 3.54Å; M269-R314 VanDerWaalsContact SD-CB 3.54Å; M269-L315 HydrophobicContact CG-CD2 4.09Å; M269-L315 HydrophobicContact SD-CD2 4.32Å; M269-L315 HydrophobicContact SD-CG 4.3Å; M269-I318 HydrophobicContact CB-CD1 4.29Å; M269-I318 HydrophobicContact CG-CD1 4Å; M269-I318 HydrophobicContact SD-CD1 4.06Å
270S89.2Confident77.8Confident0 Ų048.3 Ų48.30%023%0.233CC..Hα-helixtrans-73-36.1177.349.50000112.8S166 L266 R267 F273 V274S166-S270 VanDerWaalsContact CB-OG 3.26Å; S166-S270 WeakPolarHBondContact CB-OG 3.31Å; S166-S270 PolarHBondContact OG-OG 3.01Å; L266-S270 WeakPolarHBondContact O-CB 3.18Å; L266-S270 PolarHBondContact O-N 3.28Å; L266-S270 PolarHBondContact O-OG 3.31Å; R267-S270 PolarHBondContact O-N 3.07Å; R267-S270 PolarHBondContact O-OG 2.8Å; S270-F273 PolarHBondContact O-N 3.36Å; S270-V274 WeakPolarHBondContact O-CG2 3.4Å; S270-V274 PolarHBondContact O-N 3.08Å
271Q89Confident78.7Confident39 Ų3949.2 Ų49.218%0.18223%0.234CC..Hα-helixtrans-60.3-55.1170.7-85.8161-17.100111.4S166 L193 R267 V268 F273 V274 M275S166-Q271 WeakPolarHBondContact O-CG 3.14Å; S166-Q271 PolarHBondContact O-NE2 3.47Å; L193-Q271 HydrophobicContact CD1-CB 4.04Å; L193-Q271 HydrophobicContact CD1-CG 4.08Å; R267-Q271 WeakPolarHBondContact O-CB 3.25Å; R267-Q271 PolarHBondContact O-N 2.95Å; V268-Q271 PolarHBondContact O-N 3.44Å; Q271-F273 VanDerWaalsContact C-N 3.27Å; Q271-F273 PolarHBondContact O-N 3.19Å; Q271-V274 PolarHBondContact O-N 3.3Å; Q271-M275 VanDerWaalsContact O-CG 3.28Å; Q271-M275 WeakPolarHBondContact O-CG 3.46Å; Q271-M275 PolarHBondContact O-N 2.84Å
272K87.5Confident79.7Confident53 Ų5342.7 Ų42.723%0.2322%0.22CC..Hα-helixtrans-61.1-33.2176.6-72.5-179.6174.6176.40112.6D263 V268 M275 L276 L294D263-K272 IonicContact OD1-NZ 2.91Å; D263-K272 PolarHBondContact OD1-NZ 2.84Å; V268-K272 HydrophobicContact CG1-CD 3.99Å; V268-K272 HydrophobicContact CG1-CG 4.36Å; V268-K272 WeakPolarHBondContact O-CB 3.21Å; V268-K272 WeakPolarHBondContact O-CG 3.11Å; V268-K272 PolarHBondContact O-N 2.86Å; K272-M275 HydrophobicContact CB-SD 4.31Å; K272-M275 HydrophobicContact CG-SD 3.83Å; K272-L276 VanDerWaalsContact O-CG 3.3Å; K272-L276 WeakPolarHBondContact O-CG 3.45Å; K272-L276 PolarHBondContact O-N 2.78Å; K272-L276 VanDerWaalsContact O-N 3.11Å; K272-L294 HydrophobicContact CB-CD2 3.36Å; K272-L294 HydrophobicContact CD-CD2 4.2Å; K272-L294 HydrophobicContact CG-CD2 4.38Å
273F87.8Confident80.7Confident0 Ų039.9 Ų39.90%021%0.208CC..Hα-helixtrans-66.5-36.7172.5-174-130.1000113.2M269 S270 Q271 L276 F277 L287 A290 L315 I318 A319 L322 I328M269-F273 WeakPolarHBondContact O-CB 3.26Å; M269-F273 PolarHBondContact O-N 2.96Å; S270-F273 PolarHBondContact O-N 3.36Å; Q271-F273 VanDerWaalsContact C-N 3.27Å; Q271-F273 PolarHBondContact O-N 3.19Å; F273-L276 WeakPolarHBondContact O-CB 3.02Å; F273-F277 AromaticContact CD1-CE2 3.96Å; F273-F277 HydrophobicContact CD1-CE2 3.96Å; F273-F277 AromaticContact CD2-CE2 3.9Å; F273-F277 HydrophobicContact CD2-CE2 3.9Å; F273-F277 HydrophobicContact CD2-CZ 4.47Å; F273-F277 AromaticContact CE1-CE2 3.67Å; F273-F277 HydrophobicContact CE1-CE2 3.67Å; F273-F277 HydrophobicContact CE1-CZ 4.2Å; F273-F277 AromaticContact CE2-CE2 3.59Å; F273-F277 HydrophobicContact CE2-CE2 3.59Å; F273-F277 AromaticContact CE2-CZ 3.76Å; F273-F277 HydrophobicContact CE2-CZ 3.76Å; F273-F277 HydrophobicContact CG-CE2 4.09Å; F273-F277 AromaticContact CZ-CE2 3.49Å; F273-F277 HydrophobicContact CZ-CE2 3.49Å; F273-F277 VanDerWaalsContact CZ-CE2 3.49Å; F273-F277 AromaticContact CZ-CZ 3.61Å; F273-F277 HydrophobicContact CZ-CZ 3.61Å; F273-F277 WeakPolarHBondContact O-CD2 3.47Å; F273-F277 WeakPolarHBondContact O-CE2 3.49Å; F273-L287 HydrophobicContact CE2-CD2 4Å; F273-L287 HydrophobicContact CZ-CD2 3.66Å; F273-A290 HydrophobicContact CD2-CB 3.9Å; F273-A290 HydrophobicContact CE2-CB 3.92Å; F273-L315 HydrophobicContact CB-CD2 3.91Å; F273-L315 HydrophobicContact CD1-CD2 4.12Å; F273-L315 HydrophobicContact CD2-CD2 3.69Å; F273-L315 HydrophobicContact CE2-CD2 4.14Å; F273-L315 HydrophobicContact CG-CD2 3.66Å; F273-I318 HydrophobicContact CD1-CG2 3.72Å; F273-I318 HydrophobicContact CE1-CG2 4.2Å; F273-A319 HydrophobicContact CE1-CB 3.99Å; F273-A319 HydrophobicContact CZ-CB 4.21Å; F273-L322 HydrophobicContact CD1-CD1 3.83Å; F273-L322 HydrophobicContact CE1-CD1 4.01Å; F273-I328 HydrophobicContact CE1-CD1 4.49Å
274V87.1Confident81.5Confident0 Ų039.2 Ų39.20%020%0.204CC..Hα-helixtrans-78.5-37.3175.3178.60000111.7L167 L190 L193 S270 Q271 L276 F277 L278 L322 W345L167-V274 HydrophobicContact CD2-CG1 4.44Å; L167-V274 HydrophobicContact CD2-CG2 4.36Å; L190-V274 HydrophobicContact CD2-CG1 3.75Å; L193-V274 HydrophobicContact CD2-CB 3.74Å; L193-V274 HydrophobicContact CD2-CG1 3.54Å; S270-V274 WeakPolarHBondContact O-CG2 3.4Å; S270-V274 PolarHBondContact O-N 3.08Å; Q271-V274 PolarHBondContact O-N 3.3Å; V274-L276 PolarHBondContact O-N 3.37Å; V274-F277 PolarHBondContact O-N 3.02Å; V274-F277 VanDerWaalsContact O-N 3.08Å; V274-L278 HydrophobicContact CG1-CD1 4.23Å; V274-L278 HydrophobicContact CG1-CG 4.4Å; V274-L278 WeakPolarHBondContact O-CG 3.46Å; V274-L278 PolarHBondContact O-N 3.44Å; V274-L322 HydrophobicContact CG2-CD1 3.66Å; V274-L322 HydrophobicContact CG2-CD2 4.18Å; V274-W345 HydrophobicContact CG1-CH2 4.02Å; V274-W345 HydrophobicContact CG1-CZ3 3.88Å
275M85.9Confident81.9Confident18 Ų1831 Ų319%0.08917%0.169CC..Hα-helixtrans-49.1-45.3168.4-67.7167175.500110.9L193 V196 Y202 Q271 K272 F277 L278 V279L193-M275 HydrophobicContact CD1-CE 3.44Å; L193-M275 VanDerWaalsContact CD1-CE 3.44Å; L193-M275 HydrophobicContact CD1-CG 3.54Å; L193-M275 HydrophobicContact CD1-SD 4.27Å; L193-M275 HydrophobicContact CD2-CG 4.39Å; L193-M275 HydrophobicContact CG-CB 4.49Å; L193-M275 HydrophobicContact CG-CE 4.39Å; L193-M275 HydrophobicContact CG-CG 3.53Å; L193-M275 WeakPolarHBondContact O-CG 3.28Å; V196-M275 HydrophobicContact CB-CE 4.03Å; V196-M275 HydrophobicContact CG1-CE 3.46Å; V196-M275 VanDerWaalsContact CG1-CE 3.46Å; V196-M275 HydrophobicContact CG1-SD 4.32Å; Y202-M275 HydrophobicContact CD2-CB 3.96Å; Y202-M275 HydrophobicContact CE2-CB 3.88Å; Y202-M275 HydrophobicContact CE2-CG 4.36Å; Y202-M275 HydrophobicContact CE2-SD 3.67Å; Q271-M275 VanDerWaalsContact O-CG 3.28Å; Q271-M275 WeakPolarHBondContact O-CG 3.46Å; Q271-M275 PolarHBondContact O-N 2.84Å; K272-M275 HydrophobicContact CB-SD 4.31Å; K272-M275 HydrophobicContact CG-SD 3.83Å; M275-F277 PolarHBondContact O-N 2.87Å; M275-L278 PolarHBondContact O-N 2.88Å; M275-V279 WeakPolarHBondContact O-CG2 3.49Å; M275-V279 PolarHBondContact O-N 2.95Å
276L84.3Confident82Confident0 Ų030.1 Ų30.10%016%0.163CC..Hα-helixtrans-57.5-47.6177.6-76.2165.4000112.5Y202 I206 K272 F273 V274 L278 V279 S280 A290 I293Y202-L276 HydrophobicContact CD1-CD2 4.37Å; Y202-L276 HydrophobicContact CG-CD2 4.13Å; I206-L276 HydrophobicContact CD1-CD2 3.77Å; I206-L276 HydrophobicContact CG1-CD2 3.89Å; K272-L276 VanDerWaalsContact O-CG 3.3Å; K272-L276 WeakPolarHBondContact O-CG 3.45Å; K272-L276 PolarHBondContact O-N 2.78Å; K272-L276 VanDerWaalsContact O-N 3.11Å; F273-L276 WeakPolarHBondContact O-CB 3.02Å; V274-L276 PolarHBondContact O-N 3.37Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 3.27Å; L276-V279 PolarHBondContact O-N 3.45Å; L276-S280 VanDerWaalsContact O-CB 3.22Å; L276-S280 WeakPolarHBondContact O-CB 3.5Å; L276-S280 PolarHBondContact O-N 3.33Å; L276-S280 PolarHBondContact O-OG 3Å; L276-A290 HydrophobicContact CD1-CB 4.02Å; L276-I293 HydrophobicContact CD1-CB 4.48Å; L276-I293 HydrophobicContact CD1-CD1 4.46Å; L276-I293 HydrophobicContact CD1-CG2 4.46Å; L276-I293 HydrophobicContact CD2-CD1 3.51Å; L276-I293 HydrophobicContact CD2-CG2 4.13Å
277F83.3Confident81.8Confident0 Ų029.2 Ų29.20%016%0.158CC..Hα-helixtrans-63.9-35.6179-71.1-71.7000113.6F273 V274 M275 V279 V285 I328 F343 W345F273-F277 AromaticContact CD1-CE2 3.96Å; F273-F277 HydrophobicContact CD1-CE2 3.96Å; F273-F277 AromaticContact CD2-CE2 3.9Å; F273-F277 HydrophobicContact CD2-CE2 3.9Å; F273-F277 HydrophobicContact CD2-CZ 4.47Å; F273-F277 AromaticContact CE1-CE2 3.67Å; F273-F277 HydrophobicContact CE1-CE2 3.67Å; F273-F277 HydrophobicContact CE1-CZ 4.2Å; F273-F277 AromaticContact CE2-CE2 3.59Å; F273-F277 HydrophobicContact CE2-CE2 3.59Å; F273-F277 AromaticContact CE2-CZ 3.76Å; F273-F277 HydrophobicContact CE2-CZ 3.76Å; F273-F277 HydrophobicContact CG-CE2 4.09Å; F273-F277 AromaticContact CZ-CE2 3.49Å; F273-F277 HydrophobicContact CZ-CE2 3.49Å; F273-F277 VanDerWaalsContact CZ-CE2 3.49Å; F273-F277 AromaticContact CZ-CZ 3.61Å; F273-F277 HydrophobicContact CZ-CZ 3.61Å; F273-F277 WeakPolarHBondContact O-CD2 3.47Å; F273-F277 WeakPolarHBondContact O-CE2 3.49Å; V274-F277 PolarHBondContact O-N 3.02Å; V274-F277 VanDerWaalsContact O-N 3.08Å; M275-F277 PolarHBondContact O-N 2.87Å; F277-V279 VanDerWaalsContact C-N 3.33Å; F277-V285 HydrophobicContact CD1-CB 4.06Å; F277-V285 HydrophobicContact CD1-CG2 3.59Å; F277-V285 HydrophobicContact CE1-CB 3.54Å; F277-V285 HydrophobicContact CE1-CG2 3.63Å; F277-V285 HydrophobicContact CG-CG2 4.24Å; F277-V285 HydrophobicContact CZ-CB 3.93Å; F277-V285 HydrophobicContact CZ-CG2 4.3Å; F277-I328 HydrophobicContact CD2-CG2 4.24Å; F277-I328 HydrophobicContact CE1-CG2 4.46Å; F277-I328 HydrophobicContact CE2-CG2 4.17Å; F277-I328 HydrophobicContact CG-CG2 4.46Å; F277-I328 HydrophobicContact CZ-CG2 4.29Å; F277-F343 HydrophobicContact CE1-CB 3.97Å; F277-F343 WeakPolarHBondContact CE1-O 3.37Å; F277-F343 HydrophobicContact CZ-CB 3.84Å; F277-W345 HydrophobicContact CB-CB 4.31Å; F277-W345 HydrophobicContact CB-CD2 4.25Å; F277-W345 HydrophobicContact CB-CE3 3.67Å; F277-W345 HydrophobicContact CB-CZ3 4.43Å; F277-W345 HydrophobicContact CD2-CE3 4.49Å; F277-W345 HydrophobicContact CG-CE3 4.13Å
278L82.3Confident81.5Confident25 Ų2530.6 Ų30.613%0.13117%0.167CC..Hα-helixtrans-74.2-24.4-177.7-60.9175.4000113.3L190 L193 K194 V274 M275 L276 W345 I350L190-L278 HydrophobicContact CB-CD1 4.27Å; L190-L278 HydrophobicContact CD2-CD1 3.93Å; L190-L278 HydrophobicContact CD2-CD2 4.38Å; L193-L278 HydrophobicContact CB-CD1 4.27Å; L193-L278 HydrophobicContact CD2-CD1 4.13Å; L193-L278 HydrophobicContact CG-CD1 4.41Å; K194-L278 HydrophobicContact CB-CB 4.34Å; K194-L278 HydrophobicContact CB-CD1 4.3Å; V274-L278 HydrophobicContact CG1-CD1 4.23Å; V274-L278 HydrophobicContact CG1-CG 4.4Å; V274-L278 WeakPolarHBondContact O-CG 3.46Å; V274-L278 PolarHBondContact O-N 3.44Å; M275-L278 PolarHBondContact O-N 2.88Å; L276-L278 VanDerWaalsContact C-N 3.33Å; L276-L278 PolarHBondContact O-N 3.27Å; L278-W345 HydrophobicContact CD2-CD2 4.39Å; L278-W345 HydrophobicContact CD2-CH2 4.23Å; L278-W345 HydrophobicContact CD2-CZ2 3.82Å; L278-I350 HydrophobicContact CD1-CD1 3.98Å; L278-I350 HydrophobicContact CD2-CD1 3.88Å; L278-I350 HydrophobicContact CD2-CG1 4.05Å; L278-I350 HydrophobicContact CG-CD1 4.34Å
279V78.4Confident81.2Confident17 Ų1729.6 Ų29.610%0.10316%0.16CC..Hα-helixtrans-107.8-13.1-176.5177.40000112.2E198 A203 M275 L276 F277 T281E198-V279 HydrophobicContact CG-CG2 4.04Å; A203-V279 HydrophobicContact CB-CG1 3.88Å; M275-V279 WeakPolarHBondContact O-CG2 3.49Å; M275-V279 PolarHBondContact O-N 2.95Å; L276-V279 PolarHBondContact O-N 3.45Å; F277-V279 VanDerWaalsContact C-N 3.33Å; V279-T281 PolarHBondContact O-N 3.24Å
280S72.9Confident81Confident6 Ų628.7 Ų28.74%0.04216%0.156CC..PPolyproline II helixtrans-72.6118.8176.2-650000112.3I206 L276 P282 Q283 V285I206-S280 WeakPolarHBondContact CD1-OG 3.3Å; L276-S280 VanDerWaalsContact O-CB 3.22Å; L276-S280 WeakPolarHBondContact O-CB 3.5Å; L276-S280 PolarHBondContact O-N 3.33Å; L276-S280 PolarHBondContact O-OG 3Å; S280-P282 CarbonylContact C-O 3.25Å; S280-P282 VanDerWaalsContact CB-O 3.26Å; S280-P282 WeakPolarHBondContact CB-O 3.49Å; S280-P282 CarbonylContact O-C 3.55Å; S280-Q283 WeakPolarHBondContact O-CA 3.28Å; S280-Q283 PolarHBondContact O-N 3.03Å; S280-V285 WeakPolarHBondContact OG-CG2 3.5Å
281T66.4Low80.7Confident129 Ų12928.7 Ų28.779%0.79116%0.156SC*.SBendtrans-103.8117.3157.149.30000108.8V279V279-T281 PolarHBondContact O-N 3.24Å
282P67.7Low80.3Confident78 Ų7830.5 Ų30.551%0.50616%0.163SC..SBendcis-70.1161.6-10.632.7-37.8000113.2S280 I284S280-P282 CarbonylContact C-O 3.25Å; S280-P282 VanDerWaalsContact CB-O 3.26Å; S280-P282 WeakPolarHBondContact CB-O 3.49Å; S280-P282 CarbonylContact O-C 3.55Å; P282-I284 HydrophobicContact CB-CG1 4.09Å; P282-I284 HydrophobicContact CG-CD1 4.13Å; P282-I284 HydrophobicContact CG-CG1 3.64Å; P282-I284 PolarHBondContact O-N 3.2Å
283Q74.6Confident79.9Confident69 Ų6928.6 Ų28.632%0.32216%0.155SC..SBendtrans-69.933.7-179.4-59.1174.35.700114.6S280 K344 W345 E349S280-Q283 WeakPolarHBondContact O-CA 3.28Å; S280-Q283 PolarHBondContact O-N 3.03Å; Q283-K344 WeakPolarHBondContact O-CA 3.37Å; Q283-W345 HydrophobicContact CB-CB 3.98Å; Q283-W345 PolarHBondContact O-N 3.3Å; Q283-E349 PolarHBondContact NE2-OE1 3.25Å; Q283-E349 VanDerWaalsContact NE2-OE1 3.16Å
284I75.3Confident79.3Confident55 Ų5529.6 Ų29.628%0.28216%0.161SC..EExtended strand (participates in β ladder)trans-116.9128.6173.748.9166.5000110.4P282 V333 F343 K344P282-I284 HydrophobicContact CB-CG1 4.09Å; P282-I284 HydrophobicContact CG-CD1 4.13Å; P282-I284 HydrophobicContact CG-CG1 3.64Å; P282-I284 PolarHBondContact O-N 3.2Å; I284-V333 HydrophobicContact CD1-CG2 3.92Å; I284-F343 VanDerWaalsContact CA-O 3.31Å; I284-F343 WeakPolarHBondContact CA-O 3.09Å; I284-K344 HydrophobicContact CG2-CB 3.78Å; I284-K344 HydrophobicContact CG2-CG 3.8Å
285V79Confident78.8Confident5 Ų532.1 Ų32.13%0.0317%0.173CC..EExtended strand (participates in β ladder)trans-128.2126.6-179.7-170.60000109.2F277 S280 A290 F343F277-V285 HydrophobicContact CD1-CB 4.06Å; F277-V285 HydrophobicContact CD1-CG2 3.59Å; F277-V285 HydrophobicContact CE1-CB 3.54Å; F277-V285 HydrophobicContact CE1-CG2 3.63Å; F277-V285 HydrophobicContact CG-CG2 4.24Å; F277-V285 HydrophobicContact CZ-CB 3.93Å; F277-V285 HydrophobicContact CZ-CG2 4.3Å; S280-V285 WeakPolarHBondContact OG-CG2 3.5Å; V285-A290 HydrophobicContact CG1-CB 3.86Å; V285-F343 PolarHBondContact N-O 2.42Å; V285-F343 PolarHBondContact O-N 3.1Å; V285-F343 VanDerWaalsContact O-N 3.14Å
286S82.3Confident77.9Confident21 Ų2133 Ų3315%0.14719%0.188CC..EExtended strand (participates in β ladder)trans-81.6145.2168.766.50000109.5E288 V289 A290S286-E288 PolarHBondContact O-N 2.88Å; S286-V289 PolarHBondContact O-N 3.19Å; S286-V289 WeakPolarHBondContact OG-CG2 3.26Å; S286-V289 PolarHBondContact OG-N 3.09Å; S286-A290 PolarHBondContact O-N 3.26Å
287L82.8Confident76.4Confident5 Ų542 Ų423%0.02623%0.23CC..Hα-helixtrans-63.4-26.6-179-57.8175.6000112F273 A291 I312 L315 Y316 A319 F343F273-L287 HydrophobicContact CE2-CD2 4Å; F273-L287 HydrophobicContact CZ-CD2 3.66Å; L287-A291 WeakPolarHBondContact O-CB 3.39Å; L287-A291 PolarHBondContact O-N 3.42Å; L287-I312 HydrophobicContact CB-CD1 4.12Å; L287-I312 WeakPolarHBondContact O-CD1 3.11Å; L287-L315 HydrophobicContact CD2-CB 3.95Å; L287-Y316 HydrophobicContact CD1-CD1 3.41Å; L287-Y316 VanDerWaalsContact CD1-CD1 3.41Å; L287-Y316 HydrophobicContact CD1-CD2 3.96Å; L287-Y316 HydrophobicContact CD1-CE1 3.22Å; L287-Y316 HydrophobicContact CD1-CE2 3.8Å; L287-Y316 HydrophobicContact CD1-CG 3.77Å; L287-Y316 VanDerWaalsContact CD1-CZ 3.42Å; L287-A319 HydrophobicContact CD2-CB 4.41Å; L287-F343 HydrophobicContact CD1-CE2 3.89Å; L287-F343 HydrophobicContact CD2-CD2 3.89Å; L287-F343 HydrophobicContact CD2-CE2 3.76Å; L287-F343 HydrophobicContact CG-CD2 4.23Å; L287-F343 HydrophobicContact CG-CE2 3.88Å
288E82.3Confident75.1Confident77 Ų7746.9 Ų46.936%0.3626%0.256SS..Hα-helixtrans-65.4-53.5176.8-68.3167179.600111.6S286 A291 K292 F308 I312 K340S286-E288 PolarHBondContact O-N 2.88Å; E288-A291 PolarHBondContact O-N 3.4Å; E288-K292 WeakPolarHBondContact O-CG 3.44Å; E288-K292 PolarHBondContact O-N 2.74Å; E288-F308 HydrophobicContact CB-CZ 4.47Å; E288-I312 HydrophobicContact CG-CD1 4.46Å; E288-K340 WeakPolarHBondContact OE2-CE 3.33Å; E288-K340 IonicContact OE2-NZ 3.8Å; E288-K340 PolarHBondContact OE2-NZ 3.44Å
289V80.4Confident73.8Confident5 Ų552.7 Ų52.73%0.0328%0.282CS..Hα-helixtrans-63.4-43.2176.5173.50000110.7I206 I209 S286 A291 K292 I293I206-V289 HydrophobicContact CG2-CG1 4.5Å; I209-V289 HydrophobicContact CG2-CG1 4.13Å; I209-V289 HydrophobicContact CG2-CG2 4.19Å; S286-V289 PolarHBondContact O-N 3.19Å; S286-V289 WeakPolarHBondContact OG-CG2 3.26Å; S286-V289 PolarHBondContact OG-N 3.09Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 3Å; V289-K292 PolarHBondContact O-N 2.96Å; V289-I293 HydrophobicContact CG1-CD1 4Å; V289-I293 WeakPolarHBondContact O-CG1 3.22Å; V289-I293 PolarHBondContact O-N 3.17Å; V289-I293 VanDerWaalsContact O-N 3.13Å
290A82.9Confident72.1Confident0 Ų057 Ų570%031%0.308CS..Hα-helixtrans-58.7-43.7174.300000112.2F273 L276 V285 S286 I293 L294 L315F273-A290 HydrophobicContact CD2-CB 3.9Å; F273-A290 HydrophobicContact CE2-CB 3.92Å; L276-A290 HydrophobicContact CD1-CB 4.02Å; V285-A290 HydrophobicContact CG1-CB 3.86Å; S286-A290 PolarHBondContact O-N 3.26Å; A290-I293 PolarHBondContact O-N 3.47Å; A290-L294 HydrophobicContact CB-CD1 4.46Å; A290-L294 WeakPolarHBondContact O-CB 3.43Å; A290-L294 WeakPolarHBondContact O-CD1 3.49Å; A290-L294 WeakPolarHBondContact O-CG 3.44Å; A290-L294 PolarHBondContact O-N 3.37Å; A290-L315 HydrophobicContact CB-CD1 4.2Å
291A83.3Confident71.6Confident0 Ų063.3 Ų63.30%034%0.337CS..Hα-helixtrans-68.7-31.7179.900000113.3L287 E288 V289 I295 F308 I312 L315L287-A291 WeakPolarHBondContact O-CB 3.39Å; L287-A291 PolarHBondContact O-N 3.42Å; E288-A291 PolarHBondContact O-N 3.4Å; V289-A291 VanDerWaalsContact C-N 3.34Å; V289-A291 PolarHBondContact O-N 3Å; A291-I295 WeakPolarHBondContact O-CG1 3.37Å; A291-I295 PolarHBondContact O-N 3.29Å; A291-I295 VanDerWaalsContact O-N 3.08Å; A291-F308 HydrophobicContact CB-CD2 3.73Å; A291-F308 HydrophobicContact CB-CE2 3.42Å; A291-F308 VanDerWaalsContact CB-CE2 3.42Å; A291-F308 HydrophobicContact CB-CZ 4.17Å; A291-I312 HydrophobicContact CB-CD1 3.47Å; A291-I312 VanDerWaalsContact CB-CD1 3.47Å; A291-I312 HydrophobicContact CB-CG1 3.77Å; A291-L315 HydrophobicContact CB-CD1 3.86Å
292K80.6Confident71.1Confident78 Ų7862.8 Ų62.834%0.33933%0.329SS..Hα-helixtrans-62-52.7170.6-72.6176.8174.8179.80110.5I209 E213 E288 V289 L294 I295 G296 F308I209-K292 HydrophobicContact CD1-CB 3.89Å; I209-K292 HydrophobicContact CG2-CD 3.7Å; E213-K292 IonicContact OE1-NZ 3.52Å; E213-K292 PolarHBondContact OE1-NZ 3.19Å; E288-K292 WeakPolarHBondContact O-CG 3.44Å; E288-K292 PolarHBondContact O-N 2.74Å; V289-K292 PolarHBondContact O-N 2.96Å; K292-L294 VanDerWaalsContact C-N 3.32Å; K292-L294 PolarHBondContact O-N 2.69Å; K292-I295 WeakPolarHBondContact O-CB 3.36Å; K292-I295 PolarHBondContact O-N 3.15Å; K292-G296 PolarHBondContact O-N 2.88Å; K292-F308 HydrophobicContact CG-CE2 4.12Å
293I77.7Confident70.7Confident12 Ų1265.3 Ų65.36%0.06234%0.338CS..Hα-helixtrans-62-39178.4-60.6165.9000111.8Y202 Q205 I206 I209 L276 V289 A290 I295 G296Y202-I293 HydrophobicContact CD1-CG2 3.68Å; Y202-I293 HydrophobicContact CE1-CG2 3.85Å; Q205-I293 HydrophobicContact CB-CG1 4.38Å; I206-I293 HydrophobicContact CB-CD1 4.37Å; I206-I293 HydrophobicContact CG1-CD1 3.45Å; I206-I293 VanDerWaalsContact CG1-CD1 3.45Å; I209-I293 HydrophobicContact CD1-CD1 4.2Å; I209-I293 HydrophobicContact CD1-CG1 3.35Å; L276-I293 HydrophobicContact CD1-CB 4.48Å; L276-I293 HydrophobicContact CD1-CD1 4.46Å; L276-I293 HydrophobicContact CD1-CG2 4.46Å; L276-I293 HydrophobicContact CD2-CD1 3.51Å; L276-I293 HydrophobicContact CD2-CG2 4.13Å; V289-I293 HydrophobicContact CG1-CD1 4Å; V289-I293 WeakPolarHBondContact O-CG1 3.22Å; V289-I293 PolarHBondContact O-N 3.17Å; V289-I293 VanDerWaalsContact O-N 3.13Å; A290-I293 PolarHBondContact O-N 3.47Å; I293-I295 PolarHBondContact O-N 2.79Å; I293-G296 PolarHBondContact O-N 3.35Å
294L75.5Confident70.5Confident21 Ų2164.2 Ų64.211%0.1133%0.334CS..THydrogen-bonded Turntrans-74.4-8.6177.1-73.7165.2000113.8M269 K272 A290 K292 K311 L315M269-L294 HydrophobicContact CG-CD1 4.08Å; M269-L294 HydrophobicContact CG-CD2 4.37Å; K272-L294 HydrophobicContact CB-CD2 3.36Å; K272-L294 HydrophobicContact CD-CD2 4.2Å; K272-L294 HydrophobicContact CG-CD2 4.38Å; A290-L294 HydrophobicContact CB-CD1 4.46Å; A290-L294 WeakPolarHBondContact O-CB 3.43Å; A290-L294 WeakPolarHBondContact O-CD1 3.49Å; A290-L294 WeakPolarHBondContact O-CG 3.44Å; A290-L294 PolarHBondContact O-N 3.37Å; K292-L294 VanDerWaalsContact C-N 3.32Å; K292-L294 PolarHBondContact O-N 2.69Å; L294-K311 PolarHBondContact O-NZ 3.4Å; L294-L315 HydrophobicContact CD1-CD1 3.74Å; L294-L315 HydrophobicContact CD1-CD2 3.5Å; L294-L315 HydrophobicContact CD1-CG 4.12Å
295I76.8Confident70.5Confident53 Ų5367 Ų6727%0.27234%0.344SS..THydrogen-bonded Turntrans-79.6-58162.9-72.8169.5000109A291 K292 I293 F308 K311A291-I295 WeakPolarHBondContact O-CG1 3.37Å; A291-I295 PolarHBondContact O-N 3.29Å; A291-I295 VanDerWaalsContact O-N 3.08Å; K292-I295 WeakPolarHBondContact O-CB 3.36Å; K292-I295 PolarHBondContact O-N 3.15Å; I293-I295 PolarHBondContact O-N 2.79Å; I295-F308 HydrophobicContact CD1-CB 3.85Å; I295-F308 HydrophobicContact CD1-CD2 3.87Å; I295-F308 HydrophobicContact CD1-CG 4.37Å; I295-K311 HydrophobicContact CG1-CD 3.74Å
296G66.9Low70.5Confident38 Ų3870.7 Ų70.739%0.39237%0.37SS..  trans73.3141.7-171.800000111.4K292 I293K292-G296 PolarHBondContact O-N 2.88Å; I293-G296 PolarHBondContact O-N 3.35Å
297E53.3Low70.4Confident188 Ų18873.7 Ų73.788%0.87938%0.381SS*.SBendtrans66.1155.9-173.6-127.555.4-135.300116.3
298D56Low70.4Confident103 Ų10376.1 Ų76.155%0.55139%0.391SS*.  trans-107.4151.8-170.2-141.2-7.9000111K212K212-D298 IonicContact NZ-OD1 2.67Å; K212-D298 PolarHBondContact NZ-OD1 2.91Å; K212-D298 IonicContact NZ-OD2 3.65Å; K212-D298 PolarHBondContact NZ-OD2 2.75Å
299H53.8Low70.5Confident146 Ų14680.1 Ų80.168%0.67641%0.407SS*.  trans61.3147.9-174.6-65.3-101000115.6
300V43.9Very low70.8Confident108 Ų10883.8 Ų83.866%0.65543%0.43SS*.  cis-118.9140.316.8179.60000111D302V300-D302 PolarHBondContact O-N 2.77Å
301E61.6Low71Confident138 Ų13885.8 Ų85.865%0.64544%0.438SS*.THydrogen-bonded Turntrans-71.6-6.6-149.9-60.8-157.412400118.6K305E301-K305 WeakPolarHBondContact O-CE 3.29Å; E301-K305 WeakPolarHBondContact O-CG 3.3Å; E301-K305 PolarHBondContact O-NZ 2.77Å
302D56.3Low71.3Confident118 Ų11886.9 Ų86.963%0.63144%0.444SS*.THydrogen-bonded Turntrans-111.2-41.3178.6-91.2-56.3000115.2V300 D304 K305V300-D302 PolarHBondContact O-N 2.77Å; D302-D304 PolarHBondContact O-N 2.71Å; D302-D304 VanDerWaalsContact O-N 3.12Å; D302-K305 PolarHBondContact O-N 3.02Å; D302-K305 WeakPolarHBondContact OD1-CD 3.44Å; D302-K305 IonicContact OD1-NZ 2.63Å; D302-K305 PolarHBondContact OD1-NZ 3.22Å; D302-K305 IonicContact OD2-NZ 2.7Å; D302-K305 PolarHBondContact OD2-NZ 3.35Å
303L58.8Low71.7Confident132 Ų13290.9 Ų90.969%0.69146%0.457SS*.Hα-helixtrans-62.9-26.9-174.7-17260.7000112.4K307L303-K307 WeakPolarHBondContact O-CE 3.48Å
304D70.4Confident72.3Confident46 Ų4693.6 Ų93.625%0.24647%0.467CS..Hα-helixtrans-94.6-9.9-179-81.2-79.9000115.1D302 S306 K307 F308D302-D304 PolarHBondContact O-N 2.71Å; D302-D304 VanDerWaalsContact O-N 3.12Å; D304-S306 PolarHBondContact O-N 3.43Å; D304-K307 CarbonylContact O-C 3.51Å; D304-K307 PolarHBondContact O-N 3.48Å; D304-K307 WeakPolarHBondContact OD1-CD 3.42Å; D304-K307 WeakPolarHBondContact OD1-CE 3.43Å; D304-K307 IonicContact OD1-NZ 3.93Å; D304-K307 PolarHBondContact OD1-NZ 3.35Å; D304-K307 IonicContact OD2-NZ 2.68Å; D304-K307 PolarHBondContact OD2-NZ 2.86Å; D304-F308 VanDerWaalsContact O-CB 3.28Å; D304-F308 WeakPolarHBondContact O-CB 3.33Å; D304-F308 PolarHBondContact O-N 2.94Å
305K76.6Confident73Confident113 Ų11392.6 Ų92.649%0.49146%0.461SS..Hα-helixtrans-56.9-38.6173.9-68.3-177.2174.1102.30111.9E301 D302 K309E301-K305 WeakPolarHBondContact O-CE 3.29Å; E301-K305 WeakPolarHBondContact O-CG 3.3Å; E301-K305 PolarHBondContact O-NZ 2.77Å; D302-K305 PolarHBondContact O-N 3.02Å; D302-K305 WeakPolarHBondContact OD1-CD 3.44Å; D302-K305 IonicContact OD1-NZ 2.63Å; D302-K305 PolarHBondContact OD1-NZ 3.22Å; D302-K305 IonicContact OD2-NZ 2.7Å; D302-K305 PolarHBondContact OD2-NZ 3.35Å; K305-K309 WeakPolarHBondContact O-CB 3.27Å; K305-K309 PolarHBondContact O-N 3.11Å
306S77.5Confident73.7Confident82 Ų8294.7 Ų94.757%0.57347%0.467SS*.Hα-helixtrans-70.3-40.4175.2-175.60000112.9D304 K309 T310D304-S306 PolarHBondContact O-N 3.43Å; S306-K309 PolarHBondContact O-N 3.17Å; S306-T310 WeakPolarHBondContact O-CB 3.19Å; S306-T310 PolarHBondContact O-N 2.78Å; S306-T310 PolarHBondContact O-OG1 3.07Å
307K80.9Confident74.8Confident85 Ų8593.9 Ų93.937%0.3745%0.453SS..Hα-helixtrans-68.2-41.3178.1-63.6-177.2-113.5149.60110.9L303 D304 T310 K311L303-K307 WeakPolarHBondContact O-CE 3.48Å; D304-K307 CarbonylContact O-C 3.51Å; D304-K307 PolarHBondContact O-N 3.48Å; D304-K307 WeakPolarHBondContact OD1-CD 3.42Å; D304-K307 WeakPolarHBondContact OD1-CE 3.43Å; D304-K307 IonicContact OD1-NZ 3.93Å; D304-K307 PolarHBondContact OD1-NZ 3.35Å; D304-K307 IonicContact OD2-NZ 2.68Å; D304-K307 PolarHBondContact OD2-NZ 2.86Å; K307-T310 PolarHBondContact O-N 2.88Å; K307-K311 WeakPolarHBondContact O-CG 3.41Å; K307-K311 PolarHBondContact O-N 2.91Å
308F83.4Confident76.6Confident55 Ų5585 Ų8524%0.24141%0.412CS..Hα-helixtrans-58.3-55.1170.6179.7-98.2000111.6E288 A291 K292 I295 D304 T310 K311 I312E288-F308 HydrophobicContact CB-CZ 4.47Å; A291-F308 HydrophobicContact CB-CD2 3.73Å; A291-F308 HydrophobicContact CB-CE2 3.42Å; A291-F308 VanDerWaalsContact CB-CE2 3.42Å; A291-F308 HydrophobicContact CB-CZ 4.17Å; K292-F308 HydrophobicContact CG-CE2 4.12Å; I295-F308 HydrophobicContact CD1-CB 3.85Å; I295-F308 HydrophobicContact CD1-CD2 3.87Å; I295-F308 HydrophobicContact CD1-CG 4.37Å; D304-F308 VanDerWaalsContact O-CB 3.28Å; D304-F308 WeakPolarHBondContact O-CB 3.33Å; D304-F308 PolarHBondContact O-N 2.94Å; F308-T310 PolarHBondContact O-N 2.88Å; F308-T310 VanDerWaalsContact O-N 3.14Å; F308-K311 PolarHBondContact O-N 2.94Å; F308-I312 HydrophobicContact CD1-CG1 3.96Å; F308-I312 HydrophobicContact CD2-CG1 4.47Å; F308-I312 HydrophobicContact CE1-CD1 4.11Å; F308-I312 HydrophobicContact CE1-CG1 3.71Å; F308-I312 HydrophobicContact CE2-CD1 4.3Å; F308-I312 HydrophobicContact CE2-CG1 4.27Å; F308-I312 HydrophobicContact CG-CG1 4.34Å; F308-I312 HydrophobicContact CZ-CD1 3.85Å; F308-I312 HydrophobicContact CZ-CG1 3.88Å; F308-I312 WeakPolarHBondContact O-CB 3.42Å; F308-I312 VanDerWaalsContact O-CG1 3.29Å; F308-I312 WeakPolarHBondContact O-CG1 3.24Å; F308-I312 PolarHBondContact O-N 3.07Å
309K85.1Confident78.2Confident162 Ų16280.1 Ų80.170%0.70439%0.386SS*.Hα-helixtrans-54.7-35.2176.4-173.3173.5-177.6174.60112.6K305 S306 R313K305-K309 WeakPolarHBondContact O-CB 3.27Å; K305-K309 PolarHBondContact O-N 3.11Å; S306-K309 PolarHBondContact O-N 3.17Å; K309-R313 PolarHBondContact O-N 2.89Å; K309-R313 VanDerWaalsContact O-N 3.12Å
310T86.6Confident79.9Confident82 Ų8276.5 Ų76.550%0.50337%0.371SS..Hα-helixtrans-73-43.1175.7-56.90000112.5S306 K307 F308 R313 R314S306-T310 WeakPolarHBondContact O-CB 3.19Å; S306-T310 PolarHBondContact O-N 2.78Å; S306-T310 PolarHBondContact O-OG1 3.07Å; K307-T310 PolarHBondContact O-N 2.88Å; F308-T310 PolarHBondContact O-N 2.88Å; F308-T310 VanDerWaalsContact O-N 3.14Å; T310-R313 PolarHBondContact O-N 3.22Å; T310-R314 PolarHBondContact O-N 3.35Å; T310-R314 VanDerWaalsContact O-N 3.14Å
311K86.9Confident82.1Confident41 Ų4171.4 Ų71.418%0.17834%0.34CS..Hα-helixtrans-63.3-46.4173.6-75.3-178.4175.4-179.70111.5M269 L294 I295 K307 F308 R313 R314 L315M269-K311 HydrophobicContact CE-CB 4.44Å; M269-K311 HydrophobicContact CE-CG 3.9Å; L294-K311 PolarHBondContact O-NZ 3.4Å; I295-K311 HydrophobicContact CG1-CD 3.74Å; K307-K311 WeakPolarHBondContact O-CG 3.41Å; K307-K311 PolarHBondContact O-N 2.91Å; F308-K311 PolarHBondContact O-N 2.94Å; K311-R313 VanDerWaalsContact C-N 3.29Å; K311-R313 PolarHBondContact O-N 3.34Å; K311-R314 CarbonylContact O-C 3.54Å; K311-R314 WeakPolarHBondContact O-CA 3.45Å; K311-R314 PolarHBondContact O-N 2.94Å; K311-L315 WeakPolarHBondContact O-CG 3.18Å; K311-L315 PolarHBondContact O-N 3.31Å
312I88.6Confident83.4Confident24 Ų2464.8 Ų64.812%0.12331%0.31CS..Hα-helixtrans-50.2-48.1171.3-72.5-74.4000111.1L287 E288 A291 F308 R314 L315 Y316L287-I312 HydrophobicContact CB-CD1 4.12Å; L287-I312 WeakPolarHBondContact O-CD1 3.11Å; E288-I312 HydrophobicContact CG-CD1 4.46Å; A291-I312 HydrophobicContact CB-CD1 3.47Å; A291-I312 VanDerWaalsContact CB-CD1 3.47Å; A291-I312 HydrophobicContact CB-CG1 3.77Å; F308-I312 HydrophobicContact CD1-CG1 3.96Å; F308-I312 HydrophobicContact CD2-CG1 4.47Å; F308-I312 HydrophobicContact CE1-CD1 4.11Å; F308-I312 HydrophobicContact CE1-CG1 3.71Å; F308-I312 HydrophobicContact CE2-CD1 4.3Å; F308-I312 HydrophobicContact CE2-CG1 4.27Å; F308-I312 HydrophobicContact CG-CG1 4.34Å; F308-I312 HydrophobicContact CZ-CD1 3.85Å; F308-I312 HydrophobicContact CZ-CG1 3.88Å; F308-I312 WeakPolarHBondContact O-CB 3.42Å; F308-I312 VanDerWaalsContact O-CG1 3.29Å; F308-I312 WeakPolarHBondContact O-CG1 3.24Å; F308-I312 PolarHBondContact O-N 3.07Å; I312-R314 VanDerWaalsContact C-N 3.32Å; I312-R314 PolarHBondContact O-N 2.84Å; I312-L315 PolarHBondContact O-N 2.98Å; I312-Y316 HydrophobicContact CG2-CD2 3.82Å; I312-Y316 HydrophobicContact CG2-CE2 3.5Å; I312-Y316 WeakPolarHBondContact O-CD2 3.39Å; I312-Y316 PolarHBondContact O-N 3.33Å
313R89.1Confident84.8Confident161 Ų16161.2 Ų61.261%0.60829%0.294SS*.Hα-helixtrans-60.3-39.5176.9-174.6173.1-177.782.6-5.2112.7K309 T310 K311 Y316 D317K309-R313 PolarHBondContact O-N 2.89Å; K309-R313 VanDerWaalsContact O-N 3.12Å; T310-R313 PolarHBondContact O-N 3.22Å; K311-R313 VanDerWaalsContact C-N 3.29Å; K311-R313 PolarHBondContact O-N 3.34Å; R313-Y316 WeakPolarHBondContact O-CB 3.38Å; R313-Y316 PolarHBondContact O-N 3.25Å; R313-D317 PolarHBondContact O-N 2.76Å
314R91.2Very high86.1Confident69 Ų6955.4 Ų55.426%0.2626%0.264SS..Hα-helixtrans-71.5-32.1175.5-65.2-47.6-175.6178.43.5113.1D159 L266 M269 T310 K311 I312 D317 I318D159-R314 IonicContact OD1-NH1 3.48Å; D159-R314 IonicContact OD2-NH1 2.64Å; L266-R314 HydrophobicContact CD1-CB 3.91Å; L266-R314 HydrophobicContact CD1-CG 4.18Å; M269-R314 HydrophobicContact CE-CB 4.23Å; M269-R314 HydrophobicContact SD-CB 3.54Å; M269-R314 VanDerWaalsContact SD-CB 3.54Å; T310-R314 PolarHBondContact O-N 3.35Å; T310-R314 VanDerWaalsContact O-N 3.14Å; K311-R314 CarbonylContact O-C 3.54Å; K311-R314 WeakPolarHBondContact O-CA 3.45Å; K311-R314 PolarHBondContact O-N 2.94Å; I312-R314 VanDerWaalsContact C-N 3.32Å; I312-R314 PolarHBondContact O-N 2.84Å; R314-D317 VanDerWaalsContact CD-OD2 3.3Å; R314-D317 WeakPolarHBondContact CD-OD2 3.35Å; R314-D317 IonicContact CZ-OD2 2.68Å; R314-D317 IonicContact NE-OD2 2.42Å; R314-D317 IonicContact NH1-OD2 3.97Å; R314-D317 PolarHBondContact NH1-OD2 3.26Å; R314-D317 WeakPolarHBondContact O-CB 3.42Å; R314-D317 PolarHBondContact O-N 2.8Å; R314-I318 WeakPolarHBondContact O-CB 3.33Å; R314-I318 WeakPolarHBondContact O-CD1 3.18Å; R314-I318 WeakPolarHBondContact O-CG1 3.34Å; R314-I318 PolarHBondContact O-N 3.09Å
315L89.6Confident86.7Confident0 Ų053.5 Ų53.50%025%0.254CS..Hα-helixtrans-69.2-34.1172.1-65.7167.5000112M269 F273 L287 A290 A291 L294 K311 I312 I318 A319M269-L315 HydrophobicContact CG-CD2 4.09Å; M269-L315 HydrophobicContact SD-CD2 4.32Å; M269-L315 HydrophobicContact SD-CG 4.3Å; F273-L315 HydrophobicContact CB-CD2 3.91Å; F273-L315 HydrophobicContact CD1-CD2 4.12Å; F273-L315 HydrophobicContact CD2-CD2 3.69Å; F273-L315 HydrophobicContact CE2-CD2 4.14Å; F273-L315 HydrophobicContact CG-CD2 3.66Å; L287-L315 HydrophobicContact CD2-CB 3.95Å; A290-L315 HydrophobicContact CB-CD1 4.2Å; A291-L315 HydrophobicContact CB-CD1 3.86Å; L294-L315 HydrophobicContact CD1-CD1 3.74Å; L294-L315 HydrophobicContact CD1-CD2 3.5Å; L294-L315 HydrophobicContact CD1-CG 4.12Å; K311-L315 WeakPolarHBondContact O-CG 3.18Å; K311-L315 PolarHBondContact O-N 3.31Å; I312-L315 PolarHBondContact O-N 2.98Å; L315-I318 HydrophobicContact CD2-CD1 4.3Å; L315-A319 WeakPolarHBondContact O-CB 3.35Å; L315-A319 PolarHBondContact O-N 3.3Å
316Y90.3Very high87Confident98 Ų9854.1 Ų54.138%0.38426%0.258SS..Hα-helixtrans-61.7-46166.4-78.7-69.3000112L287 I312 R313 A319 N320L287-Y316 HydrophobicContact CD1-CD1 3.41Å; L287-Y316 VanDerWaalsContact CD1-CD1 3.41Å; L287-Y316 HydrophobicContact CD1-CD2 3.96Å; L287-Y316 HydrophobicContact CD1-CE1 3.22Å; L287-Y316 HydrophobicContact CD1-CE2 3.8Å; L287-Y316 HydrophobicContact CD1-CG 3.77Å; L287-Y316 VanDerWaalsContact CD1-CZ 3.42Å; I312-Y316 HydrophobicContact CG2-CD2 3.82Å; I312-Y316 HydrophobicContact CG2-CE2 3.5Å; I312-Y316 WeakPolarHBondContact O-CD2 3.39Å; I312-Y316 PolarHBondContact O-N 3.33Å; R313-Y316 WeakPolarHBondContact O-CB 3.38Å; R313-Y316 PolarHBondContact O-N 3.25Å; Y316-A319 PolarHBondContact O-N 3.16Å; Y316-N320 VanDerWaalsContact O-CG 3.24Å; Y316-N320 PolarHBondContact O-N 3.26Å; Y316-N320 VanDerWaalsContact O-N 3.09Å; Y316-N320 PolarHBondContact O-ND2 2.91Å
317D90.9Very high87.1Confident21 Ų2150.2 Ų50.211%0.11223%0.231CC..Hα-helixtrans-57.8-51176.3-65.3-30.6000110.8L118 R313 R314 N320 V321L118-D317 HydrophobicContact CD2-CB 3.97Å; R313-D317 PolarHBondContact O-N 2.76Å; R314-D317 VanDerWaalsContact CD-OD2 3.3Å; R314-D317 WeakPolarHBondContact CD-OD2 3.35Å; R314-D317 IonicContact CZ-OD2 2.68Å; R314-D317 IonicContact NE-OD2 2.42Å; R314-D317 IonicContact NH1-OD2 3.97Å; R314-D317 PolarHBondContact NH1-OD2 3.26Å; R314-D317 WeakPolarHBondContact O-CB 3.42Å; R314-D317 PolarHBondContact O-N 2.8Å; D317-N320 PolarHBondContact O-N 3Å; D317-V321 PolarHBondContact O-N 3.21Å
318I90.9Very high87.2Confident1 Ų146.2 Ų46.21%0.00521%0.214CC..Hα-helixtrans-61.4-47178.8-64.9159.6000111.3V163 L266 M269 F273 R314 L315 N320 V321 L322V163-I318 HydrophobicContact CG1-CG2 4.39Å; V163-I318 HydrophobicContact CG2-CB 4.48Å; V163-I318 HydrophobicContact CG2-CG1 3.92Å; V163-I318 HydrophobicContact CG2-CG2 4.38Å; L266-I318 HydrophobicContact CD1-CD1 3.83Å; L266-I318 HydrophobicContact CD1-CG1 4.01Å; L266-I318 HydrophobicContact CG-CD1 4.47Å; L266-I318 HydrophobicContact CG-CG1 4.47Å; M269-I318 HydrophobicContact CB-CD1 4.29Å; M269-I318 HydrophobicContact CG-CD1 4Å; M269-I318 HydrophobicContact SD-CD1 4.06Å; F273-I318 HydrophobicContact CD1-CG2 3.72Å; F273-I318 HydrophobicContact CE1-CG2 4.2Å; R314-I318 WeakPolarHBondContact O-CB 3.33Å; R314-I318 WeakPolarHBondContact O-CD1 3.18Å; R314-I318 WeakPolarHBondContact O-CG1 3.34Å; R314-I318 PolarHBondContact O-N 3.09Å; L315-I318 HydrophobicContact CD2-CD1 4.3Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 3.39Å; I318-V321 WeakPolarHBondContact O-CB 3.48Å; I318-V321 PolarHBondContact O-N 3.29Å; I318-V321 VanDerWaalsContact O-N 3.08Å; I318-L322 HydrophobicContact CG2-CD1 3.72Å; I318-L322 HydrophobicContact CG2-CG 4.07Å; I318-L322 WeakPolarHBondContact O-CG 3.43Å; I318-L322 PolarHBondContact O-N 2.88Å
319A89.3Confident87.1Confident0 Ų049.1 Ų49.10%023%0.226CC..Hα-helixtrans-65.9-32.2-176.800000112.5F273 L287 L315 Y316 S323 I328 F343F273-A319 HydrophobicContact CE1-CB 3.99Å; F273-A319 HydrophobicContact CZ-CB 4.21Å; L287-A319 HydrophobicContact CD2-CB 4.41Å; L315-A319 WeakPolarHBondContact O-CB 3.35Å; L315-A319 PolarHBondContact O-N 3.3Å; Y316-A319 PolarHBondContact O-N 3.16Å; A319-S323 WeakPolarHBondContact O-CB 3.39Å; A319-S323 PolarHBondContact O-N 3.42Å; A319-I328 HydrophobicContact CB-CD1 3.97Å; A319-F343 HydrophobicContact CB-CD1 4.14Å; A319-F343 HydrophobicContact CB-CD2 4.27Å; A319-F343 HydrophobicContact CB-CE1 3.74Å; A319-F343 HydrophobicContact CB-CE2 3.92Å; A319-F343 HydrophobicContact CB-CG 4.4Å; A319-F343 HydrophobicContact CB-CZ 3.62Å
320N90.1Very high86.9Confident71 Ų7146.3 Ų46.338%0.3821%0.214SC..Hα-helixtrans-65.4-37.9171.8-69.9-45000111.9Y316 D317 I318 S324Y316-N320 VanDerWaalsContact O-CG 3.24Å; Y316-N320 PolarHBondContact O-N 3.26Å; Y316-N320 VanDerWaalsContact O-N 3.09Å; Y316-N320 PolarHBondContact O-ND2 2.91Å; D317-N320 PolarHBondContact O-N 3Å; I318-N320 VanDerWaalsContact C-N 3.3Å; I318-N320 PolarHBondContact O-N 3.39Å; N320-S324 PolarHBondContact O-N 2.99Å; N320-S324 VanDerWaalsContact O-N 3.17Å; N320-S324 PolarHBondContact O-OG 2.89Å
321V89.9Confident86.3Confident0 Ų045.1 Ų45.10%021%0.206CC..Hα-helixtrans-69.6-49.3175.8174.10000110.9L118 I160 V163 D317 I318 S323 S324 L325L118-V321 HydrophobicContact CD2-CG2 3.85Å; L118-V321 HydrophobicContact CG-CG2 4.02Å; I160-V321 HydrophobicContact CG1-CG2 4Å; V163-V321 HydrophobicContact CB-CG1 4.1Å; V163-V321 HydrophobicContact CG1-CB 4.36Å; V163-V321 HydrophobicContact CG1-CG1 3.8Å; D317-V321 PolarHBondContact O-N 3.21Å; I318-V321 WeakPolarHBondContact O-CB 3.48Å; I318-V321 PolarHBondContact O-N 3.29Å; I318-V321 VanDerWaalsContact O-N 3.08Å; V321-S323 VanDerWaalsContact C-N 3.27Å; V321-S323 PolarHBondContact O-N 3.47Å; V321-S324 CarbonylContact O-C 3.56Å; V321-S324 WeakPolarHBondContact O-CA 3.49Å; V321-S324 WeakPolarHBondContact O-CB 3.46Å; V321-S324 PolarHBondContact O-N 3.07Å; V321-L325 HydrophobicContact CG1-CD1 4.12Å; V321-L325 PolarHBondContact O-N 2.93Å
322L88Confident85.3Confident0 Ų049.6 Ų49.60%023%0.228CC..Hα-helixtrans-61.7-33.6176.8-66.9177.3000112.9V163 L167 F273 V274 I318 S324 L325 E326 L327 I328V163-L322 HydrophobicContact CG1-CD2 4.16Å; V163-L322 HydrophobicContact CG1-CG 4.46Å; L167-L322 HydrophobicContact CD1-CD2 3.82Å; F273-L322 HydrophobicContact CD1-CD1 3.83Å; F273-L322 HydrophobicContact CE1-CD1 4.01Å; V274-L322 HydrophobicContact CG2-CD1 3.66Å; V274-L322 HydrophobicContact CG2-CD2 4.18Å; I318-L322 HydrophobicContact CG2-CD1 3.72Å; I318-L322 HydrophobicContact CG2-CG 4.07Å; I318-L322 WeakPolarHBondContact O-CG 3.43Å; I318-L322 PolarHBondContact O-N 2.88Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-L325 HydrophobicContact CD2-CD1 4.38Å; L322-L325 PolarHBondContact O-N 3.11Å; L322-E326 PolarHBondContact O-N 3.47Å; L322-L327 HydrophobicContact CD2-CD1 4.31Å; L322-L327 PolarHBondContact O-N 2.84Å; L322-L327 VanDerWaalsContact O-N 3.13Å; L322-I328 HydrophobicContact CB-CD1 3.65Å; L322-I328 HydrophobicContact CB-CG1 3.8Å; L322-I328 HydrophobicContact CD1-CD1 4.27Å
323S87.6Confident84.2Confident42 Ų4250.2 Ų50.229%0.29423%0.232SC..Hα-helixtrans-74.2-18.6173.9-173.10000113.5A319 V321 I328A319-S323 WeakPolarHBondContact O-CB 3.39Å; A319-S323 PolarHBondContact O-N 3.42Å; V321-S323 VanDerWaalsContact C-N 3.27Å; V321-S323 PolarHBondContact O-N 3.47Å; S323-I328 WeakPolarHBondContact CA-O 3.28Å; S323-I328 PolarHBondContact OG-O 3.35Å
324S86.1Confident82.2Confident10 Ų1048.5 Ų48.57%0.0724%0.24CC..Hα-helixtrans-88-17.1172.1-530000112.5G119 H123 N320 V321 L322 E326G119-S324 VanDerWaalsContact CA-OG 3.28Å; G119-S324 WeakPolarHBondContact CA-OG 3.25Å; G119-S324 PolarHBondContact O-OG 3.14Å; H123-S324 VanDerWaalsContact CE1-CA 3.49Å; H123-S324 WeakPolarHBondContact CE1-CA 3.05Å; H123-S324 WeakPolarHBondContact CE1-CB 3.36Å; H123-S324 PolarHBondContact CE1-OG 2.82Å; H123-S324 WeakPolarHBondContact ND1-CB 3.28Å; H123-S324 PolarHBondContact ND1-OG 2.89Å; N320-S324 PolarHBondContact O-N 2.99Å; N320-S324 VanDerWaalsContact O-N 3.17Å; N320-S324 PolarHBondContact O-OG 2.89Å; V321-S324 CarbonylContact O-C 3.56Å; V321-S324 WeakPolarHBondContact O-CA 3.49Å; V321-S324 WeakPolarHBondContact O-CB 3.46Å; V321-S324 PolarHBondContact O-N 3.07Å; L322-S324 VanDerWaalsContact C-N 3.29Å; S324-E326 VanDerWaalsContact C-N 3.29Å
325L81.9Confident80.5Confident6 Ų649 Ų493%0.03125%0.246CC..THydrogen-bonded Turntrans-88.22.8169-72.6160.7000112.7L126 L164 L167 M169 R183 V321 L322 L327L126-L325 HydrophobicContact CD1-CD2 3.61Å; L126-L325 HydrophobicContact CD1-CG 4.06Å; L126-L325 HydrophobicContact CD2-CD2 3.8Å; L126-L325 HydrophobicContact CG-CD2 4.36Å; L164-L325 HydrophobicContact CD2-CD1 3.9Å; L164-L325 HydrophobicContact CD2-CD2 3.9Å; L164-L325 HydrophobicContact CD2-CG 4.44Å; L167-L325 HydrophobicContact CD1-CD1 4.1Å; M169-L325 HydrophobicContact CE-CD2 3.86Å; M169-L325 HydrophobicContact SD-CD2 3.93Å; R183-L325 PolarHBondContact NH2-O 3.4Å; V321-L325 HydrophobicContact CG1-CD1 4.12Å; V321-L325 PolarHBondContact O-N 2.93Å; L322-L325 HydrophobicContact CD2-CD1 4.38Å; L322-L325 PolarHBondContact O-N 3.11Å; L325-L327 HydrophobicContact CB-CD1 4.18Å; L325-L327 HydrophobicContact CB-CG 3.96Å; L325-L327 PolarHBondContact O-N 3.48Å
326E82.4Confident78.3Confident126 Ų12658.5 Ų58.559%0.58929%0.29SS*.THydrogen-bonded Turntrans60.64.8-174.8-52.8-179123.200115.7R183 L322 S324 I328R183-E326 IonicContact NH2-OE2 3.18Å; L322-E326 PolarHBondContact O-N 3.47Å; S324-E326 VanDerWaalsContact C-N 3.29Å; E326-I328 VanDerWaalsContact C-N 3.28Å; E326-I328 PolarHBondContact O-N 2.74Å
327L80.1Confident76.3Confident1 Ų162.5 Ų62.51%0.00530%0.304CS..SBendtrans-71.3-23.8-176.8-58.4-179.2000113.1L167 L186 L322 L325 W345 T346 G347L167-L327 HydrophobicContact CD1-CD1 3.73Å; L186-L327 HydrophobicContact CD1-CD1 4.26Å; L186-L327 HydrophobicContact CD2-CD1 4.34Å; L186-L327 HydrophobicContact CD2-CD2 3.89Å; L322-L327 HydrophobicContact CD2-CD1 4.31Å; L322-L327 PolarHBondContact O-N 2.84Å; L322-L327 VanDerWaalsContact O-N 3.13Å; L325-L327 HydrophobicContact CB-CD1 4.18Å; L325-L327 HydrophobicContact CB-CG 3.96Å; L325-L327 PolarHBondContact O-N 3.48Å; L327-W345 HydrophobicContact CB-CH2 4.06Å; L327-W345 HydrophobicContact CB-CZ3 4.08Å; L327-W345 VanDerWaalsContact O-CE3 3.29Å; L327-T346 CarbonylContact O-C 3.55Å; L327-T346 PolarHBondContact O-N 2.87Å; L327-G347 PolarHBondContact O-N 3.32Å
328I83.1Confident74.3Confident0 Ų063 Ų630%032%0.315CS..EExtended strand (participates in β ladder)trans-134.2150.4170.266.6-177.6000110.1F273 F277 A319 L322 S323 E326 F343 K344 W345F273-I328 HydrophobicContact CE1-CD1 4.49Å; F277-I328 HydrophobicContact CD2-CG2 4.24Å; F277-I328 HydrophobicContact CE1-CG2 4.46Å; F277-I328 HydrophobicContact CE2-CG2 4.17Å; F277-I328 HydrophobicContact CG-CG2 4.46Å; F277-I328 HydrophobicContact CZ-CG2 4.29Å; A319-I328 HydrophobicContact CB-CD1 3.97Å; L322-I328 HydrophobicContact CB-CD1 3.65Å; L322-I328 HydrophobicContact CB-CG1 3.8Å; L322-I328 HydrophobicContact CD1-CD1 4.27Å; S323-I328 WeakPolarHBondContact CA-O 3.28Å; S323-I328 PolarHBondContact OG-O 3.35Å; E326-I328 VanDerWaalsContact C-N 3.28Å; E326-I328 PolarHBondContact O-N 2.74Å; I328-F343 HydrophobicContact CB-CB 4.36Å; I328-F343 HydrophobicContact CD1-CB 3.97Å; I328-F343 HydrophobicContact CD1-CD1 3.58Å; I328-F343 HydrophobicContact CD1-CE1 4.36Å; I328-F343 HydrophobicContact CD1-CG 3.91Å; I328-F343 HydrophobicContact CG1-CB 4.48Å; I328-F343 HydrophobicContact CG1-CD1 4.02Å; I328-K344 CarbonylContact C-O 3.58Å; I328-K344 WeakPolarHBondContact CA-O 3.42Å; I328-K344 WeakPolarHBondContact CB-O 3.38Å; I328-W345 HydrophobicContact CG2-CE3 3.8Å; I328-W345 HydrophobicContact CG2-CZ3 4.22Å
329K81Confident72.5Confident117 Ų11773.1 Ų73.151%0.50935%0.353SS..EExtended strand (participates in β ladder)trans-112.6136.4168.4-71.4179.7-178.4174.90109.5V331 F343 K344 T346K329-V331 PolarHBondContact O-N 2.96Å; K329-F343 WeakPolarHBondContact O-CA 3.2Å; K329-K344 PolarHBondContact N-O 2.7Å; K329-K344 PolarHBondContact O-N 3.34Å; K329-T346 HydrophobicContact CD-CG2 3.94Å; K329-T346 HydrophobicContact CG-CG2 4.39Å
330K82.1Confident71.4Confident103 Ų10376 Ų7645%0.44837%0.365SS..EExtended strand (participates in β ladder)trans-68.4117.6172.4-173.6-171.9176.2-173.60108.8H332 F343K330-H332 PolarHBondContact NZ-NE2 2.93Å; K330-F343 HydrophobicContact CB-CD1 4.08Å; K330-F343 HydrophobicContact CB-CE1 3.77Å; K330-F343 HydrophobicContact CB-CZ 4.47Å; K330-F343 HydrophobicContact CG-CD1 4.46Å; K330-F343 HydrophobicContact CG-CE1 3.95Å; K330-F343 HydrophobicContact CG-CZ 4.16Å
331V74Confident70.3Confident56 Ų5674.4 Ų74.434%0.33936%0.359SS..EExtended strand (participates in β ladder)trans-125.2122.4179.1176.90000107.5K329 V333 A342 K344K329-V331 PolarHBondContact O-N 2.96Å; V331-V333 PolarHBondContact O-N 3.1Å; V331-A342 PolarHBondContact N-O 2.84Å; V331-A342 CarbonylContact O-C 3.55Å; V331-A342 VanDerWaalsContact O-C 3.25Å; V331-A342 WeakPolarHBondContact O-CA 3.35Å; V331-A342 WeakPolarHBondContact O-CB 3.41Å; V331-A342 PolarHBondContact O-N 3.38Å; V331-K344 HydrophobicContact CB-CB 4.48Å; V331-K344 HydrophobicContact CG2-CB 3.8Å
332H65.8Low69.5Low136 Ų13674.5 Ų74.563%0.6336%0.36SS*.EExtended strand (participates in β ladder)trans-73.4118.2170.8-59.190.8000108.4K330 K340K330-H332 PolarHBondContact NZ-NE2 2.93Å; H332-K340 CarbonylContact C-O 3.59Å; H332-K340 WeakPolarHBondContact CA-O 3.47Å
333V64.3Low69.2Low36 Ų3674.8 Ų74.822%0.21836%0.361CS..EExtended strand (participates in β ladder)trans-88.5127.2176.1164.90000107.6I284 V331 E335 K340 A342I284-V333 HydrophobicContact CD1-CG2 3.92Å; V331-V333 PolarHBondContact O-N 3.1Å; V333-E335 VanDerWaalsContact C-N 3.33Å; V333-E335 PolarHBondContact O-N 2.68Å; V333-E335 VanDerWaalsContact O-N 3.16Å; V333-K340 PolarHBondContact N-O 2.9Å; V333-K340 PolarHBondContact O-N 3.26Å; V333-A342 HydrophobicContact CB-CB 4.1Å; V333-A342 HydrophobicContact CG2-CB 3.54Å
334T48.3Very low68.9Low126 Ų12677.8 Ų77.877%0.77337%0.369SS*.EExtended strand (participates in β ladder)trans-79.488.2167-52.50000107.7
335E55.6Low68.8Low79 Ų7977.7 Ų77.737%0.36937%0.367SS..EExtended strand (participates in β ladder)trans-82.1146.6160.2-160.8159.5-97.400106.7V333 R337 G338 K340V333-E335 VanDerWaalsContact C-N 3.33Å; V333-E335 PolarHBondContact O-N 2.68Å; V333-E335 VanDerWaalsContact O-N 3.16Å; E335-R337 PolarHBondContact O-N 3.37Å; E335-G338 PolarHBondContact O-N 3.26Å; E335-K340 VanDerWaalsContact OE2-CD 3.32Å; E335-K340 WeakPolarHBondContact OE2-CD 3.23Å; E335-K340 WeakPolarHBondContact OE2-CE 3.43Å; E335-K340 IonicContact OE2-NZ 3.1Å; E335-K340 PolarHBondContact OE2-NZ 3.25Å
336E43.6Very low68.3Low199 Ų19980.3 Ų80.393%0.9338%0.383SS*.THydrogen-bonded Turntrans-43.8-40.1-177.3-98.1-77.4125.400112.7G338E336-G338 PolarHBondContact O-N 2.74Å
337R48.3Very low67.4Low183 Ų18374.9 Ų74.969%0.69136%0.361SS*.THydrogen-bonded Turntrans-87.34.4-175.5-151.5167.1174.5-161.30.9115.3E217 E335E217-R337 WeakPolarHBondContact OE1-CD 3.28Å; E217-R337 IonicContact OE1-CZ 2.77Å; E217-R337 IonicContact OE1-NE 2.76Å; E217-R337 IonicContact OE1-NH1 2.71Å; E217-R337 PolarHBondContact OE1-NH1 3.45Å; E335-R337 PolarHBondContact O-N 3.37Å
338G48.6Very low66.5Low32 Ų3277.7 Ų77.733%0.3338%0.379SS..EExtended strand (participates in β ladder)trans141171.5165.900000117.3E335 E336 K340E335-G338 PolarHBondContact O-N 3.26Å; E336-G338 PolarHBondContact O-N 2.74Å; G338-K340 PolarHBondContact O-N 2.82Å
339R52.9Low64.7Low212 Ų21285 Ų8580%0.841%0.413SS*.EExtended strand (participates in β ladder)trans-71.875-177.3-64.2-175.7-178.4-179.12.2113
340K65.5Low63.3Low61 Ų6181 Ų8127%0.26540%0.397SS..EExtended strand (participates in β ladder)trans-74.6140176.7-69.4-173.5-177176.50112.2E288 H332 V333 E335 G338 A342E288-K340 WeakPolarHBondContact OE2-CE 3.33Å; E288-K340 IonicContact OE2-NZ 3.8Å; E288-K340 PolarHBondContact OE2-NZ 3.44Å; H332-K340 CarbonylContact C-O 3.59Å; H332-K340 WeakPolarHBondContact CA-O 3.47Å; V333-K340 PolarHBondContact N-O 2.9Å; V333-K340 PolarHBondContact O-N 3.26Å; E335-K340 VanDerWaalsContact OE2-CD 3.32Å; E335-K340 WeakPolarHBondContact OE2-CD 3.23Å; E335-K340 WeakPolarHBondContact OE2-CE 3.43Å; E335-K340 IonicContact OE2-NZ 3.1Å; E335-K340 PolarHBondContact OE2-NZ 3.25Å; G338-K340 PolarHBondContact O-N 2.82Å; K340-A342 PolarHBondContact O-N 2.87Å
341P66.2Low60.9Low37 Ų3779.9 Ų79.924%0.2440%0.402CS..EExtended strand (participates in β ladder)trans-77.6103.7172.431.5-32.5000110.7
342A75.1Confident59.3Low3 Ų381.7 Ų81.73%0.02542%0.416CS..EExtended strand (participates in β ladder)trans-99.7179.7168.300000110.7V331 V333 K340V331-A342 PolarHBondContact N-O 2.84Å; V331-A342 CarbonylContact O-C 3.55Å; V331-A342 VanDerWaalsContact O-C 3.25Å; V331-A342 WeakPolarHBondContact O-CA 3.35Å; V331-A342 WeakPolarHBondContact O-CB 3.41Å; V331-A342 PolarHBondContact O-N 3.38Å; V333-A342 HydrophobicContact CB-CB 4.1Å; V333-A342 HydrophobicContact CG2-CB 3.54Å; K340-A342 PolarHBondContact O-N 2.87Å
343F81.1Confident57.8Low5 Ų582.5 Ų82.52%0.02243%0.425CS..EExtended strand (participates in β ladder)trans-128.3140.2172.1-64.2-94.9000108.7F277 I284 V285 L287 A319 I328 K329 K330F277-F343 HydrophobicContact CE1-CB 3.97Å; F277-F343 WeakPolarHBondContact CE1-O 3.37Å; F277-F343 HydrophobicContact CZ-CB 3.84Å; I284-F343 VanDerWaalsContact CA-O 3.31Å; I284-F343 WeakPolarHBondContact CA-O 3.09Å; V285-F343 PolarHBondContact N-O 2.42Å; V285-F343 PolarHBondContact O-N 3.1Å; V285-F343 VanDerWaalsContact O-N 3.14Å; L287-F343 HydrophobicContact CD1-CE2 3.89Å; L287-F343 HydrophobicContact CD2-CD2 3.89Å; L287-F343 HydrophobicContact CD2-CE2 3.76Å; L287-F343 HydrophobicContact CG-CD2 4.23Å; L287-F343 HydrophobicContact CG-CE2 3.88Å; A319-F343 HydrophobicContact CB-CD1 4.14Å; A319-F343 HydrophobicContact CB-CD2 4.27Å; A319-F343 HydrophobicContact CB-CE1 3.74Å; A319-F343 HydrophobicContact CB-CE2 3.92Å; A319-F343 HydrophobicContact CB-CG 4.4Å; A319-F343 HydrophobicContact CB-CZ 3.62Å; I328-F343 HydrophobicContact CB-CB 4.36Å; I328-F343 HydrophobicContact CD1-CB 3.97Å; I328-F343 HydrophobicContact CD1-CD1 3.58Å; I328-F343 HydrophobicContact CD1-CE1 4.36Å; I328-F343 HydrophobicContact CD1-CG 3.91Å; I328-F343 HydrophobicContact CG1-CB 4.48Å; I328-F343 HydrophobicContact CG1-CD1 4.02Å; K329-F343 WeakPolarHBondContact O-CA 3.2Å; K330-F343 HydrophobicContact CB-CD1 4.08Å; K330-F343 HydrophobicContact CB-CE1 3.77Å; K330-F343 HydrophobicContact CB-CZ 4.47Å; K330-F343 HydrophobicContact CG-CD1 4.46Å; K330-F343 HydrophobicContact CG-CE1 3.95Å; K330-F343 HydrophobicContact CG-CZ 4.16Å
344K81.4Confident56.1Low105 Ų10587.3 Ų87.346%0.45745%0.454SS..EExtended strand (participates in β ladder)trans-104.5137.1171.9-169.8-168.6171.5-179.70108.5Q283 I284 I328 K329 V331 T346Q283-K344 WeakPolarHBondContact O-CA 3.37Å; I284-K344 HydrophobicContact CG2-CB 3.78Å; I284-K344 HydrophobicContact CG2-CG 3.8Å; I328-K344 CarbonylContact C-O 3.58Å; I328-K344 WeakPolarHBondContact CA-O 3.42Å; I328-K344 WeakPolarHBondContact CB-O 3.38Å; K329-K344 PolarHBondContact N-O 2.7Å; K329-K344 PolarHBondContact O-N 3.34Å; V331-K344 HydrophobicContact CB-CB 4.48Å; V331-K344 HydrophobicContact CG2-CB 3.8Å; K344-T346 PolarHBondContact O-OG1 2.7Å
345W83.4Confident55.8Low9 Ų986.9 Ų86.93%0.03446%0.456CS..EExtended strand (participates in β ladder)trans-58.6139.5166.9-171-108.2000110.7L190 V274 F277 L278 Q283 L327 I328 G347L190-W345 HydrophobicContact CD1-CH2 4.28Å; L190-W345 HydrophobicContact CD1-CZ2 3.99Å; L190-W345 HydrophobicContact CD2-CH2 3.77Å; L190-W345 HydrophobicContact CD2-CZ2 4.14Å; V274-W345 HydrophobicContact CG1-CH2 4.02Å; V274-W345 HydrophobicContact CG1-CZ3 3.88Å; F277-W345 HydrophobicContact CB-CB 4.31Å; F277-W345 HydrophobicContact CB-CD2 4.25Å; F277-W345 HydrophobicContact CB-CE3 3.67Å; F277-W345 HydrophobicContact CB-CZ3 4.43Å; F277-W345 HydrophobicContact CD2-CE3 4.49Å; F277-W345 HydrophobicContact CG-CE3 4.13Å; L278-W345 HydrophobicContact CD2-CD2 4.39Å; L278-W345 HydrophobicContact CD2-CH2 4.23Å; L278-W345 HydrophobicContact CD2-CZ2 3.82Å; Q283-W345 HydrophobicContact CB-CB 3.98Å; Q283-W345 PolarHBondContact O-N 3.3Å; L327-W345 HydrophobicContact CB-CH2 4.06Å; L327-W345 HydrophobicContact CB-CZ3 4.08Å; L327-W345 VanDerWaalsContact O-CE3 3.29Å; I328-W345 HydrophobicContact CG2-CE3 3.8Å; I328-W345 HydrophobicContact CG2-CZ3 4.22Å; W345-G347 PolarHBondContact NE1-O 3.05Å; W345-G347 VanDerWaalsContact NE1-O 3.14Å
346T70.5Confident54.4Low60 Ų6086.8 Ų86.837%0.36848%0.477SS..  trans-1476.6174.7-37.50000112.4L327 K329 K344L327-T346 CarbonylContact O-C 3.55Å; L327-T346 PolarHBondContact O-N 2.87Å; K329-T346 HydrophobicContact CD-CG2 3.94Å; K329-T346 HydrophobicContact CG-CG2 4.39Å; K344-T346 PolarHBondContact O-OG1 2.7Å
347G64.9Low53.9Low12 Ų1282.9 Ų82.912%0.12447%0.471CS..SBendtrans-70.5175.2167.600000112.2L327 W345 E349L327-G347 PolarHBondContact O-N 3.32Å; W345-G347 PolarHBondContact NE1-O 3.05Å; W345-G347 VanDerWaalsContact NE1-O 3.14Å; G347-E349 PolarHBondContact O-N 3.31Å
348P60.2Low52.9Low61 Ų6178.2 Ų78.240%0.39647%0.466SS..  trans-51.6134.8179.8-26.635.1000112.4I350P348-I350 PolarHBondContact O-N 2.7Å; P348-I350 VanDerWaalsContact O-N 3.13Å
349E45.4Very low52.1Low153 Ų15383.1 Ų83.172%0.71549%0.492SS*.  trans-78.199.5178-175.4150.7-12500109.7Q283 G347 S351Q283-E349 PolarHBondContact NE2-OE1 3.25Å; Q283-E349 VanDerWaalsContact NE2-OE1 3.16Å; G347-E349 PolarHBondContact O-N 3.31Å; E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 3.34Å
350I51.8Low51.2Low32 Ų3278.3 Ų78.316%0.16449%0.487CS..  trans-71.986.9172.248.3158.4000110.4L190 K194 L278 P348L190-I350 HydrophobicContact CB-CD1 4.03Å; L190-I350 HydrophobicContact CB-CG2 4.07Å; L190-I350 VanDerWaalsContact O-CD1 3.26Å; L190-I350 WeakPolarHBondContact O-CD1 3.34Å; K194-I350 HydrophobicContact CB-CD1 3.64Å; K194-I350 HydrophobicContact CD-CD1 3.57Å; K194-I350 HydrophobicContact CD-CG1 4.25Å; K194-I350 HydrophobicContact CG-CD1 4.23Å; K194-I350 PolarHBondContact NZ-O 3.03Å; K194-I350 VanDerWaalsContact NZ-O 3.11Å; L278-I350 HydrophobicContact CD1-CD1 3.98Å; L278-I350 HydrophobicContact CD2-CD1 3.88Å; L278-I350 HydrophobicContact CD2-CG1 4.05Å; L278-I350 HydrophobicContact CG-CD1 4.34Å; P348-I350 PolarHBondContact O-N 2.7Å; P348-I350 VanDerWaalsContact O-N 3.13Å
351S31.6Very low49.7Very low80 Ų8082.7 Ų82.756%0.55951%0.511SS*.  trans-43.3131.8169.853.40000110.8E349 N353E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 3.34Å; S351-N353 PolarHBondContact O-N 3.45Å; S351-N353 VanDerWaalsContact O-N 3.11Å
352P41.5Very low48.1Very low95 Ų9585.2 Ų85.262%0.61753%0.527SS*.  trans-63.3116.2174.827.1-32.2000109.4T354P352-T354 PolarHBondContact O-N 3.34Å
353N33.8Very low45.6Very low153 Ų15394.2 Ų94.282%0.81857%0.567SS**  trans-74.192.1171.1-72.7-27.5000108.6S351 S355S351-N353 PolarHBondContact O-N 3.45Å; S351-N353 VanDerWaalsContact O-N 3.11Å; N353-S355 PolarHBondContact O-N 2.86Å
354T29.3Very low42.9Very low137 Ų13799.9 Ų99.984%0.8460%0.602SS**  trans-57.9118.7170.4-57.70000109.5P352P352-T354 PolarHBondContact O-N 3.34Å
355S40.5Very low40.7Very low117 Ų117100.5 Ų100.582%0.81862%0.616SS**  trans-81.1140.2173.749.90000110.8N353N353-S355 PolarHBondContact O-N 2.86Å
356G27.3Very low37.8Very low77 Ų77105.2 Ų105.279%0.79465%0.65SS**  trans171.8114.1176.900000112.3S358G356-S358 PolarHBondContact O-N 3.27Å
357S32.5Very low35.7Very low117 Ų117108.6 Ų108.682%0.81867%0.667SS**  trans-79.3117.9175.754.10000111.4
358S28.3Very low34.2Very low84 Ų84114.6 Ų114.659%0.58770%0.695SS**  trans11.3132.4154630000120.6G356G356-S358 PolarHBondContact O-N 3.27Å
359P29.9Very low32.9Very low135 Ų135116.9 Ų116.988%0.87770%0.7SS**  trans-80.2122.7134.732.7-27000110
360V35.9Very low32.1Very low112 Ų112115.6 Ų115.668%0.67970%0.703SS**  trans-113.7173.5169.4-173.60000108.1
361I32.7Very low30.9Very low153 Ų153122.6 Ų122.679%0.78573%0.727SS**  trans92.1138.6166.4-51.1156.4000113.5
362P33.3Very low31Very low89 Ų89129.4 Ų129.458%0.57874%0.741SS**  cis-107.6179.6-1215.59.7000111.1
363F22.6Very low30.5Very low193 Ų193129.6 Ų129.685%0.84674%0.744SS**  cis-148.3172.841.4-86.3-81.1000115.2
364T24.1Very low30.5Very low124 Ų124127.8 Ų127.876%0.76174%0.743SS**  trans-92.1167.9-170.440.90000114.7
365P34.2Very low30.6Very low117 Ų117129 Ų12976%0.7674%0.737SS**  trans-89.5-158.5-176.740.1-40.2000113.6
366S24.3Very low30.2Very low108 Ų108130.6 Ų130.676%0.75573%0.731SS**  trans93.6140.8-179.6-56.70000113.8
367D24.7Very low30.5Very low132 Ų132134.5 Ų134.571%0.70673%0.734SS**  cis-150.9150.239.9-112.2-15.3000115.2
368L34.8Very low30.2Very low137 Ų137135 Ų13572%0.71774%0.736SS**  trans59.7149.1136.2-54.6173.2000121.3
369E32.3Very low30.6Very low110 Ų110134.8 Ų134.851%0.51474%0.74SS.*  cis-160.1-172.80.4-120.5-90.1179.300113.1R371E369-R371 IonicContact OE1-CZ 2.89Å; E369-R371 IonicContact OE1-NE 3.65Å; E369-R371 IonicContact OE1-NH1 3.21Å; E369-R371 PolarHBondContact OE1-NH1 3.05Å; E369-R371 IonicContact OE2-CZ 2.92Å; E369-R371 IonicContact OE2-NE 3.83Å; E369-R371 PolarHBondContact OE2-NE 3.4Å; E369-R371 IonicContact OE2-NH1 2.7Å; E369-R371 PolarHBondContact OE2-NH1 2.93Å
370V29.5Very low31.1Very low126 Ų126137.3 Ų137.376%0.76474%0.737SS**  trans84.3119.5165.5-171.30000114.5
371R26.2Very low31Very low179 Ų179139 Ų13968%0.67574%0.742SS**  cis-164.6-162.3-14.8-135.792.8-109.2-104.1-176.7103.9E369E369-R371 IonicContact OE1-CZ 2.89Å; E369-R371 IonicContact OE1-NE 3.65Å; E369-R371 IonicContact OE1-NH1 3.21Å; E369-R371 PolarHBondContact OE1-NH1 3.05Å; E369-R371 IonicContact OE2-CZ 2.92Å; E369-R371 IonicContact OE2-NE 3.83Å; E369-R371 PolarHBondContact OE2-NE 3.4Å; E369-R371 IonicContact OE2-NH1 2.7Å; E369-R371 PolarHBondContact OE2-NH1 2.93Å
372R32.3Very low31.1Very low223 Ų223139 Ų13984%0.84274%0.743SS**  cis-170.8157.2-11-127.4171.6171.9168.6-2.2103.1
373S32.4Very low31.3Very low98 Ų98144.2 Ų144.269%0.68576%0.757SS**  cis179.5167.5-21.950.50000108.8
374S32.5Very low31.6Very low115 Ų115139.9 Ų139.980%0.80475%0.75SS**  trans82.7134.5168.7-137.80000115.9
375K32.7Very low32.2Very low163 Ų163140.3 Ų140.371%0.70975%0.753SS**  cis-149.1167.72.2-158.5167.2172-176.30112.2
376E30.9Very low32.3Very low150 Ų150146.8 Ų146.870%0.70176%0.762SS**  trans-16.8144175.8-67.1123.7-133.300120.1
377N34Very low32.7Very low159 Ų159145 Ų14585%0.8576%0.761SS**  cis84.195.623.3-160.44.6000116.8
378C27.1Very low33.8Very low127 Ų127148 Ų14886%0.85877%0.768SS**  trans-157.8171.8157.9-152.20000113
379A35Very low34.2Very low81 Ų81147.6 Ų147.667%0.66977%0.773SS**  trans-24.7136-171.300000119
380K40.9Very low34.4Very low187 Ų187148.8 Ų148.881%0.81378%0.784SS**  cis75.3116.546.4-65.7-176.6178.4177.30115.8
381N34.5Very low35.3Very low149 Ų149152.1 Ų152.180%0.79779%0.788SS**  trans63.4102.3148.8-55.8-11.8000120.1
382L33.8Very low36.6Very low151 Ų151150.7 Ų150.779%0.79180%0.799SS**  -140.9138.1126.5-83-172000111
383F37.5Very low37.9Very low200 Ų200148.5 Ų148.588%0.87779%0.791SS**  trans73.4145.5175.3-53.6-64.7000119.5
384S29.6Very low38.8Very low101 Ų101150.1 Ų150.171%0.70679%0.787SS**  trans-153.7152.2-169.2179.20000109.6
385T37.9Very low40.3Very low134 Ų134149 Ų14982%0.82278%0.778SS**SBendtrans64.5153.4176.371.80000118.3
386R35Very low41.5Very low252 Ų252144.8 Ų144.895%0.95177%0.769SS**  trans61.7117.5165.1-175.7-174.3-80.5-133.60.6117.8
387G32Very low42.9Very low71 Ų71141.6 Ų141.673%0.73276%0.756SS**  trans127.7132.9153.600000114.5
388K48.7Very low44.5Very low194 Ų194138 Ų13884%0.84374%0.736SS**PPolyproline II helixtrans-88.3117.4168.4-63.3179.4-178.8-179.50108.7
389P44.3Very low46.4Very low129 Ų129140.2 Ų140.284%0.83873%0.731SS**PPolyproline II helixtrans-71.8128.516729.6-31.7000109.2
390N36.3Very low48.1Very low136 Ų136141 Ų14173%0.72772%0.723SS**PPolyproline II helixtrans-93.9142.1174.9-71.5-80.2000109.7
391F48.2Very low49.7Very low196 Ų196136.2 Ų136.286%0.8671%0.709SS**PPolyproline II helixtrans-57.7139.1165.8-72-81.9000110.9R393F391-R393 PolarHBondContact O-N 3.22Å
392T52.7Low51.5Low148 Ų148135.7 Ų135.791%0.90870%0.7SS**PPolyproline II helixtrans-57.3117-177.8-47.90000111.3
393R59.1Low53.6Low177 Ų177131.7 Ų131.767%0.66869%0.685SS**  trans-107.2137.8175.7-62.9-174.2-169.1-110.51.9110.7F391F391-R393 PolarHBondContact O-N 3.22Å
394H52.3Low55.4Low132 Ų132126.2 Ų126.261%0.61166%0.664SS**  trans-58.5141.2-178.3-155.3-104.4000111.9S396 L397H394-S396 PolarHBondContact ND1-OG 2.97Å; H394-S396 PolarHBondContact O-N 3.31Å; H394-S396 VanDerWaalsContact O-N 3.09Å; H394-L397 PolarHBondContact O-N 3.42Å
395P63.6Low57.5Low92 Ų92126 Ų12660%0.59765%0.651SS**Hα-helixtrans-61.2-24.6-171.821.2-33.5000114.7L397 I398 K399P395-L397 PolarHBondContact O-N 3.2Å; P395-I398 PolarHBondContact O-N 2.99Å; P395-K399 PolarHBondContact O-N 2.97Å; P395-K399 VanDerWaalsContact O-N 3.14Å
396S58.6Low59.1Low75 Ų75122.1 Ų122.152%0.52463%0.63SS.*Hα-helixtrans-59.6-42.1172470000112.8H394 I398 K399 L400H394-S396 PolarHBondContact ND1-OG 2.97Å; H394-S396 PolarHBondContact O-N 3.31Å; H394-S396 VanDerWaalsContact O-N 3.09Å; S396-I398 VanDerWaalsContact C-N 3.32Å; S396-I398 PolarHBondContact O-N 3.02Å; S396-K399 PolarHBondContact O-N 3.38Å; S396-L400 PolarHBondContact O-N 3.05Å; S396-L400 VanDerWaalsContact O-N 3.07Å
397L59.4Low60.8Low82 Ų82114.8 Ų114.843%0.42961%0.61SS.*Hα-helixtrans-68.2-31.6176.1-76.4168.3000112.2H394 P395 K399 L400 V401H394-L397 PolarHBondContact O-N 3.42Å; P395-L397 PolarHBondContact O-N 3.2Å; L397-K399 VanDerWaalsContact C-N 3.33Å; L397-L400 HydrophobicContact CD2-CD2 4.35Å; L397-L400 PolarHBondContact O-N 3.21Å; L397-V401 WeakPolarHBondContact O-CB 3.46Å; L397-V401 VanDerWaalsContact O-CG2 3.31Å; L397-V401 WeakPolarHBondContact O-CG2 3.38Å; L397-V401 PolarHBondContact O-N 3.35Å
398I68.1Low62.5Low83 Ų83118.9 Ų118.943%0.42660%0.603SS.*Hα-helixtrans-67-37.7175.5-57.5177.7000110.4P395 S396 K402P395-I398 PolarHBondContact O-N 2.99Å; S396-I398 VanDerWaalsContact C-N 3.32Å; S396-I398 PolarHBondContact O-N 3.02Å; I398-K402 HydrophobicContact CG2-CD 4.31Å; I398-K402 WeakPolarHBondContact O-CB 3.47Å; I398-K402 WeakPolarHBondContact O-CG 2.99Å; I398-K402 PolarHBondContact O-N 2.99Å
399K67.8Low63.3Low174 Ų174116.8 Ų116.876%0.75759%0.59SS**Hα-helixtrans-64.7-45.5173-123-179.6-178.6-177.60111.4P395 S396 L397 K402 S403P395-K399 PolarHBondContact O-N 2.97Å; P395-K399 VanDerWaalsContact O-N 3.14Å; S396-K399 PolarHBondContact O-N 3.38Å; L397-K399 VanDerWaalsContact C-N 3.33Å; K399-K402 PolarHBondContact O-N 3.12Å; K399-S403 PolarHBondContact O-N 3.15Å
400L70.8Confident64.2Low97 Ų97118.7 Ų118.751%0.50859%0.585SS.*Hα-helixtrans-61.2-48.7177.3-176.164.7000112.2S396 L397 K402 S403 I404S396-L400 PolarHBondContact O-N 3.05Å; S396-L400 VanDerWaalsContact O-N 3.07Å; L397-L400 HydrophobicContact CD2-CD2 4.35Å; L397-L400 PolarHBondContact O-N 3.21Å; L400-K402 PolarHBondContact O-N 2.99Å; L400-S403 WeakPolarHBondContact O-CB 3.39Å; L400-S403 PolarHBondContact O-N 2.86Å; L400-S403 VanDerWaalsContact O-N 3.14Å; L400-I404 HydrophobicContact CD1-CD1 4.22Å; L400-I404 HydrophobicContact CG-CD1 3.97Å; L400-I404 WeakPolarHBondContact O-CG1 3.41Å; L400-I404 PolarHBondContact O-N 2.88Å
401V73.1Confident65.2Low87 Ų87118.4 Ų118.453%0.52758%0.582SS.*Hα-helixtrans-60.4-43.9176.9169.70000111L397 S403 I404 E405L397-V401 WeakPolarHBondContact O-CB 3.46Å; L397-V401 VanDerWaalsContact O-CG2 3.31Å; L397-V401 WeakPolarHBondContact O-CG2 3.38Å; L397-V401 PolarHBondContact O-N 3.35Å; V401-S403 VanDerWaalsContact C-N 3.31Å; V401-S403 PolarHBondContact O-N 2.97Å; V401-I404 PolarHBondContact O-N 2.7Å; V401-E405 VanDerWaalsContact O-CB 3.28Å; V401-E405 WeakPolarHBondContact O-CB 3.48Å; V401-E405 PolarHBondContact O-N 3.43Å
402K73.3Confident65.3Low139 Ų139115.1 Ų115.160%0.60457%0.573SS**Hα-helixtrans-64.8-31.4175.5-76.2-179177.7-175.70113.3I398 K399 L400 S406I398-K402 HydrophobicContact CG2-CD 4.31Å; I398-K402 WeakPolarHBondContact O-CB 3.47Å; I398-K402 WeakPolarHBondContact O-CG 2.99Å; I398-K402 PolarHBondContact O-N 2.99Å; K399-K402 PolarHBondContact O-N 3.12Å; L400-K402 PolarHBondContact O-N 2.99Å; K402-S406 WeakPolarHBondContact O-CB 3.26Å; K402-S406 PolarHBondContact O-N 2.93Å; K402-S406 VanDerWaalsContact O-N 3.14Å; K402-S406 PolarHBondContact O-OG 2.97Å
403S76.7Confident64.9Low66 Ų66112.8 Ų112.846%0.46256%0.564SS.*Hα-helixtrans-67.1-51.2173.6-156.70000110.7K399 L400 V401 E405 S406 D407K399-S403 PolarHBondContact O-N 3.15Å; L400-S403 WeakPolarHBondContact O-CB 3.39Å; L400-S403 PolarHBondContact O-N 2.86Å; L400-S403 VanDerWaalsContact O-N 3.14Å; V401-S403 VanDerWaalsContact C-N 3.31Å; V401-S403 PolarHBondContact O-N 2.97Å; S403-E405 VanDerWaalsContact C-N 3.33Å; S403-E405 PolarHBondContact O-N 2.88Å; S403-S406 WeakPolarHBondContact O-CA 3.41Å; S403-S406 PolarHBondContact O-N 3.4Å; S403-D407 PolarHBondContact O-N 3.41Å
404I75.3Confident63.8Low85 Ų85108.7 Ų108.744%0.43657%0.567SS.*Hα-helixtrans-59.4-42.9177.8-66166000110.9L400 V401 S406 R408L400-I404 HydrophobicContact CD1-CD1 4.22Å; L400-I404 HydrophobicContact CG-CD1 3.97Å; L400-I404 WeakPolarHBondContact O-CG1 3.41Å; L400-I404 PolarHBondContact O-N 2.88Å; V401-I404 PolarHBondContact O-N 2.7Å; I404-S406 PolarHBondContact O-N 3.34Å; I404-R408 HydrophobicContact CG2-CG 4.39Å; I404-R408 VanDerWaalsContact O-CB 3.28Å; I404-R408 WeakPolarHBondContact O-CB 3.5Å; I404-R408 WeakPolarHBondContact O-CG 3.27Å; I404-R408 PolarHBondContact O-N 3.38Å
405E75.1Confident63.6Low96 Ų96108.9 Ų108.945%0.44958%0.58SS.*Hα-helixtrans-65.1-23.6175.4-163.663.5-127.400112.9V401 S403 R409V401-E405 VanDerWaalsContact O-CB 3.28Å; V401-E405 WeakPolarHBondContact O-CB 3.48Å; V401-E405 PolarHBondContact O-N 3.43Å; S403-E405 VanDerWaalsContact C-N 3.33Å; S403-E405 PolarHBondContact O-N 2.88Å; E405-R409 WeakPolarHBondContact O-CG 3.18Å; E405-R409 PolarHBondContact O-N 3.27Å; E405-R409 PolarHBondContact O-NE 2.91Å
406S70.6Confident62.1Low54 Ų54110.4 Ų110.438%0.37859%0.593SS.*Hα-helixtrans-88.5-39.6179.9-580000112K402 S403 I404 R409 K410K402-S406 WeakPolarHBondContact O-CB 3.26Å; K402-S406 PolarHBondContact O-N 2.93Å; K402-S406 VanDerWaalsContact O-N 3.14Å; K402-S406 PolarHBondContact O-OG 2.97Å; S403-S406 WeakPolarHBondContact O-CA 3.41Å; S403-S406 PolarHBondContact O-N 3.4Å; I404-S406 PolarHBondContact O-N 3.34Å; S406-R409 PolarHBondContact O-N 2.83Å; S406-K410 PolarHBondContact O-N 2.92Å
407D70.6Confident60.7Low98 Ų98112 Ų11252%0.52460%0.604SS.*Hα-helixtrans-61.8-45.1168.5-81.5-17.7000111.2S403 R409 K410 I411S403-D407 PolarHBondContact O-N 3.41Å; D407-R409 PolarHBondContact O-N 3.39Å; D407-R409 VanDerWaalsContact O-N 3.13Å; D407-K410 PolarHBondContact O-N 3.35Å; D407-K410 VanDerWaalsContact O-N 3.09Å; D407-I411 WeakPolarHBondContact O-CG1 3.3Å; D407-I411 PolarHBondContact O-N 3.12Å
408R68.7Low59.6Low156 Ų156114 Ų11459%0.58962%0.622SS**Hα-helixtrans-60.7-22.1175.7-71.617481.690.72.7113.3I404 N412I404-R408 HydrophobicContact CG2-CG 4.39Å; I404-R408 VanDerWaalsContact O-CB 3.28Å; I404-R408 WeakPolarHBondContact O-CB 3.5Å; I404-R408 WeakPolarHBondContact O-CG 3.27Å; I404-R408 PolarHBondContact O-N 3.38Å; R408-N412 PolarHBondContact O-ND2 2.76Å
409R64.7Low57.7Low150 Ų150118 Ų11857%0.56664%0.643SS**Hα-helixtrans-88.4-36.1172.3-76.6178.8-67.8178.76.7112.9E405 S406 D407 I411 N412E405-R409 WeakPolarHBondContact O-CG 3.18Å; E405-R409 PolarHBondContact O-N 3.27Å; E405-R409 PolarHBondContact O-NE 2.91Å; S406-R409 PolarHBondContact O-N 2.83Å; D407-R409 PolarHBondContact O-N 3.39Å; D407-R409 VanDerWaalsContact O-N 3.13Å; R409-I411 VanDerWaalsContact C-N 3.3Å; R409-I411 PolarHBondContact O-N 3.22Å; R409-N412 PolarHBondContact O-N 3.16Å
410K63.1Low56.2Low169 Ų169118 Ų11874%0.73564%0.643SS**Hα-helixtrans-59.6-37.2172.5-82.5-170.1170.2-173.10113.2S406 D407 N412S406-K410 PolarHBondContact O-N 2.92Å; D407-K410 PolarHBondContact O-N 3.35Å; D407-K410 VanDerWaalsContact O-N 3.09Å; K410-N412 VanDerWaalsContact C-N 3.34Å; K410-N412 PolarHBondContact O-N 3.42Å
411I57.2Low54.4Low131 Ų131119.7 Ų119.767%0.67266%0.657SS**THydrogen-bonded Turntrans-83.5-1.4-178.269.4-174.3000114.6D407 R409D407-I411 WeakPolarHBondContact O-CG1 3.3Å; D407-I411 PolarHBondContact O-N 3.12Å; R409-I411 VanDerWaalsContact C-N 3.3Å; R409-I411 PolarHBondContact O-N 3.22Å
412N51.5Low52.3Low126 Ų126121 Ų12167%0.67466%0.661SS**THydrogen-bonded Turntrans-128.216.2-173-74.9-62.2000114.2R408 R409 K410R408-N412 PolarHBondContact O-ND2 2.76Å; R409-N412 PolarHBondContact O-N 3.16Å; K410-N412 VanDerWaalsContact C-N 3.34Å; K410-N412 PolarHBondContact O-N 3.42Å
413S42.8Very low50.4Low100 Ų100124.9 Ų124.970%0.69968%0.678SS**  trans-111.269-176.764.10000113.5
414A36.7Very low48.2Very low90 Ų90126 Ų12674%0.74469%0.691SS**SBendtrans-137.7145159.600000108.6
415P48.1Very low46.2Very low136 Ų136131 Ų13188%0.88371%0.713SS**  trans-86.6137.3-155.531.9-36000115
416S31.2Very low44.1Very low125 Ų125131.5 Ų131.587%0.87473%0.727SS**  trans-155.1167.7155.9-147.70000113.1
417S30.6Very low42.2Very low108 Ų108133.6 Ų133.676%0.75574%0.741SS**PPolyproline II helixtrans-78.8163.1-162.9-53.80000114.4
418P35.5Very low40.6Very low125 Ų125137.1 Ų137.181%0.81276%0.755SS**PPolyproline II helixtrans-81.8139-165.331.6-35.6000114.6
419I29Very low38.8Very low166 Ų166136.8 Ų136.885%0.85177%0.765SS**PPolyproline II helixtrans-101.4120157.3-74.4177.7000108.4
420K36.3Very low37.2Very low175 Ų175135.6 Ų135.676%0.76178%0.779SS**  trans-100.395.8-169-165.5-155.5-176.7-170.30110.9N422K420-N422 WeakPolarHBondContact CD-ND2 3.33Å; K420-N422 VanDerWaalsContact CE-ND2 3.31Å; K420-N422 WeakPolarHBondContact CE-ND2 3.19Å; K420-N422 WeakPolarHBondContact CG-ND2 3.29Å
421T31.7Very low35.8Very low131 Ų131133.6 Ų133.680%0.80478%0.781SS**  trans-69.5133.2170480000110.8
422N30.3Very low35.1Very low114 Ų114133.1 Ų133.161%0.6179%0.787SS**  trans-144.7131.6165.2-70.8-87.1000110K420K420-N422 WeakPolarHBondContact CD-ND2 3.33Å; K420-N422 VanDerWaalsContact CE-ND2 3.31Å; K420-N422 WeakPolarHBondContact CE-ND2 3.19Å; K420-N422 WeakPolarHBondContact CG-ND2 3.29Å
423K32.1Very low34.5Very low222 Ų222136.8 Ų136.897%0.96580%0.797SS**  trans-101.1111.6147.7-82.2-171.5172.6-172.60106.4
424A32Very low35.6Very low89 Ų89136.3 Ų136.374%0.73679%0.792SS**  trans-154.2147.2166.600000108.7
425E32.3Very low37.3Very low190 Ų190136 Ų13689%0.88878%0.784SS**  trans-72.9161.9-159.1-63.8144.6147.400116.5
426S30.6Very low38.3Very low107 Ų107137.7 Ų137.775%0.74878%0.778SS**  trans80.1133.4148.3-161.50000122.1
427S32.2Very low40.2Very low97 Ų97138.1 Ų138.168%0.67877%0.767SS**  trans63.6113.4144.650.90000122.5
428Q35.8Very low42.3Very low172 Ų172135.4 Ų135.480%0.80475%0.752SS**  trans64.6126.7142.7-60.8-165.52.200122.3
429N32.2Very low44.2Very low150 Ų150134.6 Ų134.680%0.80274%0.737SS**  trans42.5102.1137.8-57.2-9.6000120.1
430S29.8Very low46.4Very low125 Ų125131.4 Ų131.487%0.87472%0.721SS**  trans-155.7165.5146.344.60000111.5
431T33.1Very low48.4Very low126 Ų126125.7 Ų125.777%0.77371%0.707SS**PPolyproline II helixtrans-89.2155-165.643.10000114.6
432P44.5Very low50.4Low122 Ų122121.8 Ų121.879%0.79269%0.688SS**PPolyproline II helixtrans-81138.417432.6-33.7000112.3
433F37.8Very low52.7Low203 Ų203120.5 Ų120.589%0.8968%0.68SS**PPolyproline II helixtrans-72.4140.3170.7-77.7-98.3000111.4
434P66Low54.7Low89 Ų89113.4 Ų113.458%0.57866%0.657SS**PPolyproline II helixtrans-73.7141.6-179.429.5-34.5000112.7A438P434-A438 HydrophobicContact CB-CB 4.26Å
435S72.9Confident57Low84 Ų84115.2 Ų115.259%0.58765%0.649SS**PPolyproline II helixtrans-64.2151.6171.7173.70000111.8M437 A438 Q439S435-M437 PolarHBondContact O-N 3.17Å; S435-M437 VanDerWaalsContact O-N 3.09Å; S435-A438 WeakPolarHBondContact O-CA 3.48Å; S435-A438 WeakPolarHBondContact O-CB 3.46Å; S435-A438 PolarHBondContact O-N 3.18Å; S435-Q439 PolarHBondContact O-N 3.21Å
436K68.3Low59Low172 Ų172112.1 Ų112.175%0.74864%0.636SS**Hα-helixtrans-51.7-34.3176.7-80.7-170.7173.3-174.90113.6Q439 L440K436-Q439 PolarHBondContact O-N 3.35Å; K436-L440 WeakPolarHBondContact O-CG 3.23Å; K436-L440 PolarHBondContact O-N 3.38Å
437M71.3Confident61.1Low133 Ų133112.9 Ų112.966%0.65563%0.627SS**Hα-helixtrans-69-36.2175.3-105.1-58.4-61.500112.8S435 A441S435-M437 PolarHBondContact O-N 3.17Å; S435-M437 VanDerWaalsContact O-N 3.09Å; M437-A441 VanDerWaalsContact O-CB 3.3Å; M437-A441 WeakPolarHBondContact O-CB 3.41Å; M437-A441 PolarHBondContact O-N 2.77Å
438A74.1Confident62.7Low52 Ų52114.6 Ų114.643%0.4363%0.628SS.*Hα-helixtrans-71.2-33.5172.900000111.5P434 S435 A441 A442P434-A438 HydrophobicContact CB-CB 4.26Å; S435-A438 WeakPolarHBondContact O-CA 3.48Å; S435-A438 WeakPolarHBondContact O-CB 3.46Å; S435-A438 PolarHBondContact O-N 3.18Å; A438-A441 PolarHBondContact O-N 2.99Å; A438-A442 WeakPolarHBondContact O-CB 3.49Å; A438-A442 PolarHBondContact O-N 3.23Å
439Q75.8Confident64.1Low108 Ų108111.5 Ų111.551%0.50561%0.614SS.*Hα-helixtrans-69.1-41.3174.5-163.7174.214.600112S435 K436 A442 I443S435-Q439 PolarHBondContact O-N 3.21Å; K436-Q439 PolarHBondContact O-N 3.35Å; Q439-A442 PolarHBondContact O-N 2.82Å; Q439-I443 HydrophobicContact CG-CD1 4.37Å; Q439-I443 WeakPolarHBondContact O-CD1 3.42Å; Q439-I443 VanDerWaalsContact O-CG1 3.28Å; Q439-I443 WeakPolarHBondContact O-CG1 3.37Å; Q439-I443 PolarHBondContact O-N 3.26Å
440L75.4Confident65.5Low99 Ų99110.2 Ų110.252%0.51860%0.603SS.*Hα-helixtrans-65.4-42.3171.5-72.9172.9000111.8K436 A442 I443 C444K436-L440 WeakPolarHBondContact O-CG 3.23Å; K436-L440 PolarHBondContact O-N 3.38Å; L440-A442 VanDerWaalsContact C-N 3.29Å; L440-A442 PolarHBondContact O-N 2.93Å; L440-I443 PolarHBondContact O-N 2.87Å; L440-C444 WeakPolarHBondContact O-CB 3.34Å; L440-C444 PolarHBondContact O-N 3.09Å; L440-C444 PolarHBondContact O-SG 2.63Å; L440-C444 VanDerWaalsContact O-SG 3.38Å
441A77.3Confident66.5Low55 Ų55111.3 Ų111.346%0.45559%0.594SS.*Hα-helixtrans-61.2-37.5173.900000112.2M437 A438 K445M437-A441 VanDerWaalsContact O-CB 3.3Å; M437-A441 WeakPolarHBondContact O-CB 3.41Å; M437-A441 PolarHBondContact O-N 2.77Å; A438-A441 PolarHBondContact O-N 2.99Å; A441-K445 VanDerWaalsContact O-CB 3.27Å; A441-K445 WeakPolarHBondContact O-CB 3.33Å; A441-K445 PolarHBondContact O-N 3.35Å
442A75.4Confident67.4Low49 Ų49109.6 Ų109.641%0.40559%0.588SS.*Hα-helixtrans-66.5-42.7173.400000112.2A438 Q439 L440 K445 M446A438-A442 WeakPolarHBondContact O-CB 3.49Å; A438-A442 PolarHBondContact O-N 3.23Å; Q439-A442 PolarHBondContact O-N 2.82Å; L440-A442 VanDerWaalsContact C-N 3.29Å; L440-A442 PolarHBondContact O-N 2.93Å; A442-K445 PolarHBondContact O-N 2.93Å; A442-M446 WeakPolarHBondContact O-CB 3.39Å; A442-M446 WeakPolarHBondContact O-CG 3.36Å; A442-M446 PolarHBondContact O-N 2.87Å
443I78.8Confident67.7Low86 Ų86107.8 Ų107.844%0.44158%0.578SS.*Hα-helixtrans-63.9-47.8176.4-69.1161.7000110.8Q439 L440 K445 M446 Q447Q439-I443 HydrophobicContact CG-CD1 4.37Å; Q439-I443 WeakPolarHBondContact O-CD1 3.42Å; Q439-I443 VanDerWaalsContact O-CG1 3.28Å; Q439-I443 WeakPolarHBondContact O-CG1 3.37Å; Q439-I443 PolarHBondContact O-N 3.26Å; L440-I443 PolarHBondContact O-N 2.87Å; I443-K445 VanDerWaalsContact C-N 3.32Å; I443-K445 PolarHBondContact O-N 2.93Å; I443-M446 PolarHBondContact O-N 3.04Å; I443-Q447 WeakPolarHBondContact O-CB 3.28Å; I443-Q447 PolarHBondContact O-N 3.31Å
444C72.4Confident68Low74 Ų74106.1 Ų106.150%0.557%0.573SS.*Hα-helixtrans-63.8-35.5176.3-65.60000112.4L440 L448L440-C444 WeakPolarHBondContact O-CB 3.34Å; L440-C444 PolarHBondContact O-N 3.09Å; L440-C444 PolarHBondContact O-SG 2.63Å; L440-C444 VanDerWaalsContact O-SG 3.38Å; C444-L448 WeakPolarHBondContact O-CG 3.42Å; C444-L448 PolarHBondContact O-N 2.87Å; C444-L448 VanDerWaalsContact O-N 3.16Å
445K80.3Confident66.9Low127 Ų127106.4 Ų106.455%0.55258%0.577SS**Hα-helixtrans-64.8-50.2172.1-177.2179.3-177.3-78.20111.1A441 A442 I443 Q447 L448 E449A441-K445 VanDerWaalsContact O-CB 3.27Å; A441-K445 WeakPolarHBondContact O-CB 3.33Å; A441-K445 PolarHBondContact O-N 3.35Å; A442-K445 PolarHBondContact O-N 2.93Å; I443-K445 VanDerWaalsContact C-N 3.32Å; I443-K445 PolarHBondContact O-N 2.93Å; K445-Q447 VanDerWaalsContact C-N 3.31Å; K445-Q447 PolarHBondContact O-N 3.49Å; K445-L448 PolarHBondContact O-N 2.86Å; K445-E449 IonicContact NZ-OE1 3.27Å; K445-E449 IonicContact NZ-OE2 3.75Å; K445-E449 PolarHBondContact NZ-OE2 3.38Å; K445-E449 VanDerWaalsContact O-CB 3.29Å; K445-E449 WeakPolarHBondContact O-CB 3.42Å; K445-E449 PolarHBondContact O-N 3.21Å
446M75.1Confident65.3Low125 Ų125113.4 Ų113.462%0.61659%0.59SS**Hα-helixtrans-57.3-44.5177.9-77.1-179.965.100111.2A442 I443 L448 E449 E450A442-M446 WeakPolarHBondContact O-CB 3.39Å; A442-M446 WeakPolarHBondContact O-CG 3.36Å; A442-M446 PolarHBondContact O-N 2.87Å; I443-M446 PolarHBondContact O-N 3.04Å; M446-L448 VanDerWaalsContact C-N 3.31Å; M446-L448 PolarHBondContact O-N 2.68Å; M446-E449 CarbonylContact O-C 3.58Å; M446-E449 PolarHBondContact O-N 2.7Å; M446-E449 VanDerWaalsContact O-N 3.12Å; M446-E450 WeakPolarHBondContact O-CB 3.31Å; M446-E450 PolarHBondContact O-N 2.96Å
447Q73.6Confident63.7Low122 Ų122112.8 Ų112.857%0.5759%0.59SS**Hα-helixtrans-70.9-25.1-177.8-159.9165.612.900113.4I443 K445 Q451I443-Q447 WeakPolarHBondContact O-CB 3.28Å; I443-Q447 PolarHBondContact O-N 3.31Å; K445-Q447 VanDerWaalsContact C-N 3.31Å; K445-Q447 PolarHBondContact O-N 3.49Å; Q447-Q451 WeakPolarHBondContact O-CB 3.14Å; Q447-Q451 WeakPolarHBondContact O-CG 3.28Å; Q447-Q451 PolarHBondContact O-N 3.42Å
448L66.2Low61.8Low133 Ų133114.6 Ų114.670%0.69659%0.594SS**Hα-helixtrans-77.3-34168.5-73.3167.8000112.4C444 K445 M446 S452C444-L448 WeakPolarHBondContact O-CG 3.42Å; C444-L448 PolarHBondContact O-N 2.87Å; C444-L448 VanDerWaalsContact O-N 3.16Å; K445-L448 PolarHBondContact O-N 2.86Å; M446-L448 VanDerWaalsContact C-N 3.31Å; M446-L448 PolarHBondContact O-N 2.68Å; L448-S452 WeakPolarHBondContact O-CB 3.49Å; L448-S452 PolarHBondContact O-N 3.09Å
449E66.2Low59.8Low108 Ų108118.5 Ų118.551%0.50561%0.612SS.*Hα-helixtrans-76-36.4179.9-165.6158.2-164.500111.6K445 M446 S452 S453K445-E449 IonicContact NZ-OE1 3.27Å; K445-E449 IonicContact NZ-OE2 3.75Å; K445-E449 PolarHBondContact NZ-OE2 3.38Å; K445-E449 VanDerWaalsContact O-CB 3.29Å; K445-E449 WeakPolarHBondContact O-CB 3.42Å; K445-E449 PolarHBondContact O-N 3.21Å; M446-E449 CarbonylContact O-C 3.58Å; M446-E449 PolarHBondContact O-N 2.7Å; M446-E449 VanDerWaalsContact O-N 3.12Å; E449-S452 WeakPolarHBondContact O-CB 3.31Å; E449-S452 PolarHBondContact O-N 3.06Å; E449-S453 PolarHBondContact O-N 3.18Å
450E62Low57.6Low122 Ų122122.2 Ų122.257%0.5763%0.627SS**Hα-helixtrans-64.8-50.8174.3-171165.7-132.700111M446 S452 S453M446-E450 WeakPolarHBondContact O-CB 3.31Å; M446-E450 PolarHBondContact O-N 2.96Å; E450-S452 PolarHBondContact O-N 3.31Å; E450-S452 VanDerWaalsContact O-N 3.17Å; E450-S453 PolarHBondContact O-N 3.13Å; E450-S453 PolarHBondContact O-OG 2.79Å
451Q50.1Low55.5Low148 Ų148124.7 Ų124.769%0.69265%0.646SS**Hα-helixtrans-59.1-24.1170.8-72.4-73.2-58.600113.4Q447 S453Q447-Q451 WeakPolarHBondContact O-CB 3.14Å; Q447-Q451 WeakPolarHBondContact O-CG 3.28Å; Q447-Q451 PolarHBondContact O-N 3.42Å; Q451-S453 VanDerWaalsContact C-N 3.35Å
452S51.7Low53.1Low91 Ų91130 Ų13064%0.63666%0.661SS**THydrogen-bonded Turntrans-82.9-6.9176.1-172.40000113.9L448 E449 E450L448-S452 WeakPolarHBondContact O-CB 3.49Å; L448-S452 PolarHBondContact O-N 3.09Å; E449-S452 WeakPolarHBondContact O-CB 3.31Å; E449-S452 PolarHBondContact O-N 3.06Å; E450-S452 PolarHBondContact O-N 3.31Å; E450-S452 VanDerWaalsContact O-N 3.17Å
453S51.8Low50.8Low83 Ų83135.2 Ų135.258%0.5868%0.681SS**THydrogen-bonded Turntrans-108.9-28-165.5720000115.8E449 E450 Q451 S455E449-S453 PolarHBondContact O-N 3.18Å; E450-S453 PolarHBondContact O-N 3.13Å; E450-S453 PolarHBondContact O-OG 2.79Å; Q451-S453 VanDerWaalsContact C-N 3.35Å; S453-S455 VanDerWaalsContact C-N 3.26Å; S453-S455 PolarHBondContact O-N 3.49Å
454E43.5Very low48.4Very low169 Ų169135.4 Ų135.479%0.7970%0.696SS**SBendtrans-71.5-15.3-177-66.1-165.2114.900114.3R456E454-R456 PolarHBondContact O-N 3.39Å
455S42.3Very low46.2Very low94 Ų94142.7 Ų142.766%0.65771%0.712SS**SBendtrans-91.932.7-166.760.40000116S453S453-S455 VanDerWaalsContact C-N 3.26Å; S453-S455 PolarHBondContact O-N 3.49Å
456R39.8Very low43.7Very low231 Ų231141.9 Ų141.987%0.87272%0.723SS**  trans-162.168.1174.8-111.9158-154.1-1596.7117.9E454E454-R456 PolarHBondContact O-N 3.39Å
457Q34Very low41.5Very low159 Ų159139.3 Ų139.374%0.74373%0.728SS**  trans-158.3139.7149.7-122.9179.879.500115.4
458K31.8Very low39.9Very low172 Ų172139.3 Ų139.375%0.74874%0.739SS**  trans59.2100.2163.7-67158.3-179.5154.20116.5
459V31.7Very low38Very low133 Ų133138.5 Ų138.581%0.80674%0.743SS**  77.891.866.5-179.50000114.6
460K29.7Very low36.2Very low187 Ų187142.9 Ų142.981%0.81376%0.761SS**  43.6102.9129.4-171.3-170.6177.4-1770119.4
461V31.3Very low35.2Very low151 Ų151142 Ų14292%0.91577%0.766SS**  trans-134.9161.7141-178.80000108.2
462Q27.8Very low34.2Very low165 Ų165141.5 Ų141.577%0.77177%0.772SS**  trans-130.7145.3-163.5-138.6178.510.900112.9
463L26.7Very low33.2Very low160 Ų160141.2 Ų141.284%0.83878%0.775SS**  trans81.4145.1142.2-161.662.8000121.5
464A27.6Very low33Very low89 Ų89142.6 Ų142.674%0.73678%0.782SS**  trans79141165.600000117.3
465R27.7Very low32.3Very low227 Ų227141.8 Ų141.886%0.85778%0.782SS**  cis-155.5158.31.9-156.8173.7174.8114.3-2.7111.9
466S27.7Very low31.6Very low111 Ų111144.6 Ų144.678%0.77679%0.79SS**  trans60.9136.5165.533.20000118.3
467G28.1Very low32.6Very low70 Ų70138.8 Ų138.872%0.72278%0.783SS**  cis91.5148.2-000000114.7
468P40.6Very low33.6Very low122 Ų122137 Ų13779%0.79279%0.785SS**  cis-136.7-156.79.541.1-19.9000115.5
469C26.4Very low33.4Very low117 Ų117132.9 Ų132.979%0.79178%0.782SS**  trans74114.8171.1-59.10000116.8
470K27.7Very low33.3Very low200 Ų200134 Ų13487%0.8778%0.784SS**  cis6815029.6-115.9-167.7-177.6-173.60113.3
471P40.9Very low33.6Very low104 Ų104128.8 Ų128.868%0.67578%0.775SS**  cis-142.3-165.42.529.4-2.5000116.5
472V29Very low33.3Very low137 Ų137129 Ų12983%0.8377%0.767SS**  trans92.4126.1153.6-164.70000120.6
473A31Very low33.4Very low84 Ų84128.5 Ų128.569%0.69477%0.766SS**  trans-127.7176.6153.600000106.3
474P46.7Very low33.3Very low113 Ų113127.5 Ų127.573%0.73476%0.757SS**  cis-142-140.118.642.2-18.9000114
475L29.8Very low33.4Very low151 Ų151129.7 Ų129.779%0.79176%0.756SS**  trans107.792.7160.7-60.5167.3000119.9
476D28.5Very low33.5Very low153 Ų153124.6 Ų124.682%0.81875%0.75SS**  32.2160.6119.2-71.2-57.9000126.3
477P59.2Low33.8Very low110 Ų110123.4 Ų123.471%0.71475%0.747SS**  trans-100.4-152.2-166.444.8-39.6000113.8
478P55.5Low34.6Very low122 Ų122126.4 Ų126.479%0.79275%0.754SS**  cis-143.1-144.10.544.6-21.3000116.4
479A28.1Very low34Very low84 Ų84125.4 Ų125.469%0.69475%0.75SS**  trans84.5155.616700000118.6
480N30Very low34Very low157 Ų157126.8 Ų126.884%0.8475%0.749SS**  cis-170.1168-19.7-10525.1000107.5
481A34.7Very low34.1Very low77 Ų77124.7 Ų124.764%0.63675%0.745SS**  cis-142.5-109.5-19.200000109.8
482E26.6Very low33.4Very low156 Ų156128.2 Ų128.273%0.72975%0.752SS**  cis-166152.9-9.8-163.447.8-84.400112.7
483M28.2Very low34.6Very low155 Ų155126.6 Ų126.676%0.76475%0.745SS**  trans47.7160.2163.9-79.517715700124.3
484E25.1Very low34.5Very low139 Ų139130.9 Ų130.965%0.6576%0.755SS**  cis-173.8143.9-39.8-179.5164.1-162.200113.5
485L30.9Very low33.4Very low134 Ų134128.7 Ų128.770%0.70275%0.753SS**  trans55.3164.4161.6-74.6168.5000121.1
486T29.2Very low33.3Very low120 Ų120128.1 Ų128.174%0.73676%0.755SS**  cis-144.8126.17.3-5.50000109.2
487A32.6Very low33.5Very low86 Ų86127 Ų12771%0.71175%0.754SS**  71.3153.594.300000117.6
488P46.2Very low33.1Very low133 Ų133126.9 Ų126.986%0.86475%0.753SS**  cis-122.6-155.55.343-27.4000114.9
489S26.9Very low31.7Very low101 Ų101128.8 Ų128.871%0.70676%0.756SS**  trans-128.5171.8-157.155.60000116
490L28.1Very low32.1Very low147 Ų147131.8 Ų131.877%0.7776%0.759SS**  164.3128.1124.5-84.5168.5000116.3
491I30Very low32.5Very low156 Ų156130 Ų13080%0.876%0.755SS**  trans66.6161.8138.1-67.4179.6000122.4
492Q25.1Very low32.3Very low177 Ų177131.1 Ų131.183%0.82776%0.759SS**  trans-87.2-145.8-177.4-59.8172.5-26.300113.2
493P54.3Low33.7Very low103 Ų103128.6 Ų128.667%0.66976%0.756SS**  -124.8-156.4-99.841.6-22.4000114.6
494L28.9Very low33.8Very low175 Ų175128.9 Ų128.992%0.91676%0.76SS**  trans83.6160.2162.9-111.573.2000119.8
495G24.2Very low34.1Very low67 Ų67127.2 Ų127.269%0.69176%0.763SS**  trans98.5128.3173.200000115
496V27.2Very low34.2Very low138 Ų138126.4 Ų126.484%0.83677%0.769SS**  cis95.7110.724-177.40000115.3
497V31.8Very low34.1Very low129 Ų129124.9 Ų124.978%0.78277%0.768SS**  trans15144135.1176.10000118.2
498P50.7Low34.4Very low109 Ų109127.2 Ų127.271%0.70877%0.774SS**  cis-136.7-167.82622.66.6000115
499L27.6Very low34.5Very low161 Ų161126.4 Ų126.484%0.84377%0.768SS**  176.1173.979.4-15272.6000113.3
500I36.5Very low35.1Very low148 Ų148129 Ų12976%0.75977%0.774SS**  trans-120.4137.2-175.7-72.6164000109.6
501P38.3Very low35.2Very low118 Ų118130 Ų13077%0.76678%0.778SS**  -154.2141.1109.337.4-17.6000119.1
502S28.9Very low35.4Very low102 Ų102130.3 Ų130.371%0.71378%0.78SS**  6.6168.9120.7-75.20000122.2
503P57.8Low36.7Very low103 Ų103126.8 Ų126.867%0.66977%0.773SS**  cis-146.2-165-31.838.5-17.3000115
504L30.1Very low35.7Very low161 Ų161130.8 Ų130.884%0.84378%0.783SS**  trans73.4170.4158.8-60.1163.9000119.3
505S31Very low36Very low103 Ų103126.4 Ų126.472%0.7277%0.772SS**  cis-178.2173-44.6-164.30000111.1
506S32Very low37.3Very low117 Ų117129.2 Ų129.282%0.81878%0.778SS**  trans73.3160.7168.1-124.80000117.2
507A28.4Very low37.6Very low88 Ų88127.8 Ų127.873%0.72777%0.774SS**  cis-148.8176.56.500000113.4
508V38.8Very low37.6Very low135 Ų135124.6 Ų124.682%0.81877%0.767SS**  trans-125.7147.2174.8-161.50000109.7
509P48.6Very low37.5Very low116 Ų116125.1 Ų125.175%0.75377%0.771SS**  -140.9152.7115.736.7-22.9000111.8
510L37.8Very low37.7Very low156 Ų156122 Ų12282%0.81776%0.762SS**  cis77.5116.437-166.2135000115.5
511I31.2Very low37.5Very low167 Ų167125.3 Ų125.386%0.85677%0.767SS**  trans-171.5147.1157.4-100.6150.3000110.4
512L34.4Very low37.2Very low163 Ų163123.9 Ų123.985%0.85377%0.765SS**  trans-157.9140174-173.7108.8000110.7
513P53.3Low37.4Very low103 Ų103126.9 Ų126.967%0.66977%0.771SS**  -147.9-173122.144.9-29.8000111.5
514Q32.6Very low36Very low187 Ų187131 Ų13187%0.87478%0.775SS**  cis-156.9-165.9-5.5-136.8167.7-14.300111
515A34.8Very low36.1Very low84 Ų84131.3 Ų131.369%0.69478%0.776SS**  trans-148.7-160.8171.200000109.9
516P52.4Low36.1Very low126 Ų126134.1 Ų134.182%0.81878%0.778SS**  cis-104.6-152.617.745-38.5000113.5
517S32.6Very low37.2Very low108 Ų108134.3 Ų134.376%0.75578%0.776SS**  cis-148.6-170.30.668.50000109.9
518G32.4Very low37.2Very low62 Ų62134.3 Ų134.364%0.63978%0.776SS**  cis101.5141.5-0.200000115.2
519P48.5Very low36.9Very low120 Ų120137 Ų13778%0.77978%0.78SS**  cis-135.9161.12.443.1-26.3000119
520S30.7Very low36.1Very low95 Ų95134.5 Ų134.566%0.66477%0.77SS**  trans53.4156148.6-53.20000122
521Y33.5Very low35.9Very low218 Ų218135.7 Ų135.786%0.85577%0.77SS**  cis-137.8146.115.4-67.7-97.3000109.9
522A32.3Very low35.9Very low88 Ų88136.6 Ų136.673%0.72777%0.771SS**  57.8139.382.300000114.9
523I32.7Very low35.6Very low164 Ų164133.5 Ų133.584%0.84176%0.763SS**  cis-143.6157.326.8-70.8176.1000113.9
524Y28.8Very low34.5Very low190 Ų190135.2 Ų135.275%0.74577%0.771SS**  trans-40.9151.7167.5-140.8-115.4000120.1
525L32.2Very low34.3Very low167 Ų167132.5 Ų132.587%0.87477%0.768SS**  178.2170123.3-98.4164.1000115
526Q30.5Very low35Very low162 Ų162133.9 Ų133.976%0.75777%0.77SS**  trans-133.6157.8-163.5-168.2163.2-36.700111.5
527P54.6Low34.7Very low121 Ų121132.7 Ų132.779%0.78676%0.762SS**  trans-106.6155.1-159.438.7-34.7000117.2
528A28.2Very low34.5Very low88 Ų88136.9 Ų136.973%0.72777%0.77SS**  trans177145.3147.600000114.8
529Q32.3Very low34.3Very low191 Ų191137.4 Ų137.489%0.89378%0.775SS**  trans61164.5148-69.2173.5-0.600120.3
530A31.8Very low33.4Very low65 Ų65140.4 Ų140.454%0.53778%0.783SS.*  cis-171.6173.7-30.700000111.7
531H33.3Very low33.1Very low180 Ų180141.1 Ų141.183%0.83379%0.788SS**  trans71.6163.5170.7-42.9-76.1000116.7
532Q31.7Very low34.1Very low186 Ų186135.9 Ų135.987%0.86978%0.781SS**  cis-132.2-171.811.3-53175.412.300110.2
533S27.9Very low33.7Very low98 Ų98137.9 Ų137.969%0.68578%0.784SS**  cis-166.4154.518.655.70000114.2
534V29.6Very low33.3Very low139 Ų139135.8 Ų135.884%0.84278%0.779SS**  trans64.8123146.6174.90000122.2
535T29.8Very low33Very low130 Ų130131.6 Ų131.680%0.79878%0.776SS**  trans-120.4170.7150.150.30000106.9
536P49.3Very low32.8Very low113 Ų113129.6 Ų129.673%0.73477%0.771SS**  cis-139.1-153.934.542.7-18.8000111.8
537P45.5Very low32.5Very low102 Ų102126.9 Ų126.966%0.66277%0.766SS**  cis-138.8161.21.141.5-22.2000120.1
538Q29.1Very low31.3Very low196 Ų196129.1 Ų129.192%0.91677%0.765SS**  trans52.4138.8140.6-66.2168.9-4.800121.9
539G27.3Very low31.3Very low72 Ų72129.9 Ų129.974%0.74277%0.766SS**  trans165.252.5158.800000122.8
540L29.5Very low31.4Very low184 Ų184126.5 Ų126.596%0.96376%0.763SS**  trans59.8173.9153.1-62175000120.6
541S25.8Very low31.1Very low110 Ų110133.3 Ų133.377%0.76978%0.78SS**  trans-125-162175.555.80000109.9
542P53.6Low31Very low108 Ų108128.7 Ų128.770%0.70177%0.773SS**  -118.5-179-97.737.2-21.6000115.6
543T24.5Very low30.8Very low129 Ų129125.1 Ų125.179%0.79178%0.776SS**  trans98.2156.6156.1-29.90000118.3
544V23.5Very low30.8Very low120 Ų120123.4 Ų123.473%0.72777%0.774SS**  trans97.586.4160.4-166.50000119.9
545C23.3Very low30.8Very low103 Ų103123.6 Ų123.670%0.69678%0.775SS**  58.9126.8120.8-56.80000125
546T27.1Very low30.8Very low125 Ų125125.8 Ų125.877%0.76777%0.774SS**  42.3135.9129.966.80000120.9
547T24.1Very low29.7Very low105 Ų105126.4 Ų126.464%0.64477%0.771SS**  -155.6152.655.437.60000110.8
548H29.8Very low28.8Very low167 Ų167126.7 Ų126.777%0.77378%0.775SS**  171.416595.4-90.3-66.4000108
549S28.5Very low28.8Very low105 Ų105123.4 Ų123.473%0.73477%0.769SS**  cis-159.9173.1-6.7-115.80000109.1
550S35Very low28.6Very low119 Ų119127.8 Ų127.883%0.83278%0.775SS**  trans-148168.4174.663.70000113.3
551K26Very low28.6Very low208 Ų208122.7 Ų122.790%0.90476%0.76SS**  trans-136.3143.6168.7-107.3-166.4173.5-179.20108
552A30.3Very low28.6Very low83 Ų83123.8 Ų123.869%0.68676%0.762SS**  cis-154.7158.8-2.300000111.7
553A27.8Very low27.2Very low112 Ų112124.6 Ų124.693%0.92677%0.765SS**  trans60.2130.3160.200000119.1
554G27.1Very low27.6Very low62 Ų62126.6 Ų126.664%0.63977%0.765SS**  cis152.1147.6-12.400000114
555T30.1Very low27.7Very low143 Ų143129.9 Ų129.988%0.87777%0.77SS**  trans62.4142.7169.238.40000117
556K29Very low27.9Very low176 Ų176129.3 Ų129.377%0.76577%0.773SS**  cis-144.4134.911-115.5-169174.3-177.60110
557D26.3Very low28Very low125 Ų125126.9 Ų126.967%0.66877%0.765SS**  67.9125.3104.1-76.7-22000118.4
558S28.2Very low28.2Very low108 Ų108129.2 Ų129.276%0.75577%0.774SS**  trans69.8152.7144.778.40000119
559T27.6Very low28.1Very low127 Ų127127.5 Ų127.578%0.77977%0.77SS**  cis-162.6147-14.710.10000111.3
560D24.1Very low28.3Very low164 Ų164128.2 Ų128.288%0.87777%0.77SS**  trans64.2176.7138.9-139.7-13.6000120.6
561A29.6Very low28.1Very low77 Ų77127 Ų12764%0.63676%0.762SS**  trans-113.9-152.5-158.100000114.7
562T24.6Very low28.3Very low134 Ų134126.6 Ų126.682%0.82276%0.76SS**  trans71.2146.1-174.75.80000114.2
563T24.7Very low28.2Very low124 Ų124127 Ų12776%0.76176%0.764SS**  cis-146.4162.75.5-37.80000110.1
564E32.8Very low28.1Very low172 Ų172127.1 Ų127.180%0.80476%0.758SS**  trans-68175.3155.7-62.8-170.2114.800112.3
565K26.5Very low28.1Very low188 Ų188128.7 Ų128.782%0.81776%0.764SS**  trans84.8120.9134-166.5178.2-176.2178.40119.5
566A26Very low27.9Very low92 Ų92127.2 Ų127.276%0.7676%0.76SS**  trans67.7160.715000000118.1
567A28.9Very low28Very low74 Ų74125 Ų12561%0.61276%0.761SS**  cis-166.5157.5-31.800000107.9
568N29.5Very low28.1Very low153 Ų153130 Ų13082%0.81877%0.771SS**  trans65.3176175.1-49-27.2000111.5
569D28.4Very low28.7Very low132 Ų132130.3 Ų130.371%0.70677%0.77SS**  cis-152.6161.315.5-154-2.2000113.9
570T31.1Very low28.6Very low119 Ų119127.8 Ų127.873%0.7377%0.77SS**  trans59.7143.2160.849.30000119.7
571S31.1Very low28.6Very low94 Ų94125.1 Ų125.166%0.65776%0.764SS**  cis-165143.6-11.650.30000112.5
572K30.8Very low28.4Very low200 Ų200129.1 Ų129.187%0.8777%0.774SS**  trans45.7113.4134.8-65.1178.7179.4175.10117.4
573A27.9Very low28.8Very low92 Ų92130.7 Ų130.776%0.7678%0.776SS**  110.6151.673.400000109.3
574S26.6Very low29.1Very low114 Ų114130.6 Ų130.680%0.79778%0.778SS**  cis-165.5172.3-4.635.50000110.9
575A27.2Very low28.9Very low94 Ų94126.6 Ų126.678%0.77777%0.774SS**  trans89.8130.7155.400000119
576S26.2Very low29.6Very low113 Ų113122.8 Ų122.879%0.7977%0.769SS**  trans65.4139.9158.9-130.40000118.5
577T29.4Very low29.5Very low129 Ų129125.8 Ų125.879%0.79177%0.767SS**  cis-140.6146.18.2-40.40000112.2
578R28.1Very low29.4Very low230 Ų230131.5 Ų131.587%0.86877%0.773SS**  trans-71.6-172.7165-107.3-176.5174.1-173.2-0.5111.4
579P42.1Very low29.3Very low115 Ų115133 Ų13375%0.74778%0.775SS**  cis-121.1-178.2-39.339.4-23.1000110
580G25.5Very low29.2Very low74 Ų74130.1 Ų130.176%0.76378%0.776SS**  84.4167.475.200000112.8
581S23.8Very low29.2Very low107 Ų107128.6 Ų128.675%0.74878%0.776SS**  cis-172.7164.9-16.7-167.40000108.4
582L26.1Very low29.3Very low162 Ų162133.9 Ų133.985%0.84879%0.787SS**  trans72.2145168.6-49.6179.8000118.7
583L33.3Very low29.1Very low166 Ų166129 Ų12987%0.86978%0.778SS**  trans-75.2160.7159.7-64.4166.7000109.3
584P29.5Very low29.2Very low123 Ų123135.6 Ų135.680%0.79978%0.783SS**  -145.9165.696.641.7-28.3000114.7
585A29Very low29.2Very low88 Ų88136 Ų13673%0.72778%0.78SS**  trans-80.2161.2153.700000108.4
586P40.3Very low29.2Very low108 Ų108141.9 Ų141.970%0.70178%0.783SS**  -157.6-165.863.845.2-23.7000115.8
587E23.8Very low29.1Very low155 Ų155143.4 Ų143.472%0.72478%0.777SS**  trans61.6166.4150.9-71.4-157.1128.700121.1
588R27.7Very low29.1Very low194 Ų194144 Ų14473%0.73278%0.775SS**  -169.3137.2-52.9-119.7-178.3175.5171.9-2.9108.8
589Q27.3Very low29Very low184 Ų184137.6 Ų137.686%0.8677%0.771SS**  trans65.6163.9155.3-58.3-177.5-1.400119.9
590G27.2Very low28.3Very low72 Ų72135.6 Ų135.674%0.74277%0.771SS**  trans107.761.9176.900000115
591A30.6Very low28.5Very low87 Ų87139.1 Ų139.172%0.71977%0.768SS**  75.9133.263.700000115.7
592K32.1Very low28.7Very low204 Ų204144 Ų14489%0.88777%0.77SS**  trans76.3153.3174.2-55168.2-175.6170.80116.2
593S26.8Very low28.7Very low97 Ų97139.8 Ų139.868%0.67877%0.765SS**  cis-169.2161.1-28.764.10000111.9
594R29.9Very low28.5Very low232 Ų232136.9 Ų136.988%0.87576%0.759SS**  trans67.3158.3162.1-71.1179.8171-174.3-3.7117.9
595T26.5Very low28.5Very low121 Ų121139.1 Ų139.174%0.74276%0.756SS**  cis145.3106.5-21.3-77.70000108.4
596R27.6Very low28.6Very low219 Ų219145.8 Ų145.883%0.82676%0.762SS**  trans-176137.1142.4-125.1143.3-171.6-164-2.3107.6
597E24.7Very low28Very low145 Ų145144.4 Ų144.468%0.67876%0.76SS**  56.6138.156.6-66.3-172.9137.600112.8
598L29.6Very low28.1Very low141 Ų141141.9 Ų141.974%0.73876%0.759SS**  cis-159.6157.313.4-154.580.4000112.2
599A26.2Very low28.2Very low96 Ų96140.6 Ų140.679%0.79376%0.764SS**  trans57.3167144.300000123.5
600G27.4Very low28.2Very low72 Ų72139.1 Ų139.174%0.74276%0.761SS**  trans91.8101.3173.500000113.6
601E28.7Very low28.2Very low149 Ų149142.7 Ų142.770%0.69676%0.758SS**  cis80.412428.4-140.9-143.617600116.1
602R28.3Very low28Very low210 Ų210145 Ų14579%0.79276%0.759SS**  trans78.6149.7164.1-47.5-176.4-170.1-125.3-23.7120.6
603G26.1Very low27.9Very low72 Ų72139.7 Ų139.774%0.74275%0.747SS**  trans77.5100.4153.700000117
604S29.2Very low28Very low105 Ų105138.5 Ų138.573%0.73475%0.75SS**  cis79.7112.223-155.70000116.6
605K30.1Very low28.5Very low170 Ų170132.6 Ų132.674%0.73975%0.745SS**  trans106.9125.3154.4-65.6164.6-174.6170.20119.8
606R29.9Very low28.5Very low228 Ų228136.1 Ų136.186%0.8675%0.75SS**  trans73.5152.1138.9-69.5174.7-170.9-178.21.2118.6
607A28.1Very low28.6Very low79 Ų79135.1 Ų135.165%0.65375%0.751SS**  cis-164.4157.4-19.100000113.5
608S27.4Very low29.1Very low102 Ų102137.1 Ų137.171%0.71376%0.758SS**  trans66127.6130.862.70000124.1
609M27.9Very low28.8Very low168 Ų168138.2 Ų138.283%0.82876%0.757SS**  trans65.6133.7146.3-62.6178.181.400119.6
610L27.2Very low28.9Very low153 Ų153141.2 Ų141.280%0.80175%0.748SS**  -175.7124.499.4-168.864.8000113.2
611E28.3Very low29Very low146 Ų146144.6 Ų144.668%0.68274%0.744SS**  trans26.5120.5148-62.4-57.495.200124.6
612D27.1Very low28.8Very low137 Ų137144.4 Ų144.473%0.73374%0.743SS**  104.5145.5106.8-162.549.9000125.1
613S29.8Very low29.3Very low91 Ų91141.6 Ų141.664%0.63674%0.743SS**  trans26.7119.4161.768.30000126.4
614G28.7Very low29.5Very low73 Ų73146.7 Ų146.775%0.75375%0.745SS**  75.7170.3104.100000120.5
615S39.1Very low29.3Very low108 Ų108144.8 Ų144.876%0.75574%0.742SS**  cis-173.5144.2-10.8-910000110.4
616K28Very low29.4Very low194 Ų194144.2 Ų144.284%0.84375%0.746SS**  trans173.4115.9150.8-91.9140.4-159.4169.50110.5
617K29.5Very low29.1Very low198 Ų198141.4 Ų141.486%0.86174%0.743SS**  82.5144.584.1-79-171.1-179.6-176.50115
618K33.8Very low29.2Very low187 Ų187144.7 Ų144.781%0.81375%0.749SS**  cis-175.1179.1-34.3-138.4-177179.9-178.60110.1
619F24.7Very low29.3Very low164 Ų164146.5 Ų146.572%0.71976%0.756SS**  trans85148.7167.3-86.7-142.8000118.4
620R28.6Very low29.3Very low159 Ų159143.7 Ų143.760%0.675%0.752SS**  cis-171.7139.2-15.1153.8176.5-79.4-104.10.5113
621E29.3Very low29.3Very low143 Ų143143.1 Ų143.167%0.66876%0.755SS**  trans57.8168.7154.8-81.1156.3-172.500121.9
622E24.3Very low29.4Very low145 Ų145141.8 Ų141.868%0.67876%0.758SS**  cis-133.4-167.78.8-142.7-154153.800115.1K624E622-K624 IonicContact OE1-NZ 2.7Å; E622-K624 PolarHBondContact OE1-NZ 3.22Å
623L38.9Very low29.5Very low151 Ų151142.9 Ų142.979%0.79176%0.763SS**  trans-152.9149.9-163.7-115.8174.7000111.9
624K29.3Very low29.8Very low179 Ų179148.1 Ų148.178%0.77877%0.774SS**  trans174.8150.3149.7-92.1137.5-162.3154.40110.9E622E622-K624 IonicContact OE1-NZ 2.7Å; E622-K624 PolarHBondContact OE1-NZ 3.22Å
625G26Very low30.2Very low65 Ų65150.4 Ų150.467%0.6778%0.776SS**  cis166.4151.4-11.800000114.3
626L30.7Very low29.7Very low159 Ų159151.2 Ų151.283%0.83278%0.781SS**  trans59.7160.1162.3-8758.4000118.2
627E25.5Very low29.7Very low168 Ų168145 Ų14579%0.78577%0.773SS**  cis-144.3-176.514.1-148.8158.4-12800113.4
628N28.8Very low29.9Very low148 Ų148146 Ų14679%0.79177%0.773SS**  trans-108.9162.3-177.7-54.3-78.9000112.4
629V29.4Very low29.8Very low141 Ų141144.4 Ų144.486%0.85577%0.772SS**  trans-168.6147.2134.3133.70000111.3
630S28.5Very low30.5Very low108 Ų108143 Ų14376%0.75577%0.771SS**  trans-102.3146.5176.8-49.90000111.6
631T27.8Very low30.7Very low141 Ų141141.3 Ų141.387%0.86578%0.78SS**  trans-165.6155.2137.45.10000113.8
632T30.2Very low30.9Very low119 Ų119141.5 Ų141.573%0.7379%0.785SS**  trans-90.2147168.144.60000110.7
633L29.5Very low31.2Very low160 Ų160140.7 Ų140.784%0.83879%0.791SS**  179.6147.6126.9-118.569.1000111.4
634F36.3Very low30.6Very low201 Ų201142.3 Ų142.388%0.88279%0.794SS**  trans-93.6150.8154.1-82.2-87.3000108.8
635P35.4Very low30.6Very low120 Ų120139.6 Ų139.678%0.77980%0.796SS**  trans-132.9157.1133.136.7-27.4000114.3
636S28.6Very low30.7Very low125 Ų125142.2 Ų142.287%0.87480%0.804SS**  trans-70.1152.6172.3-179.60000112.4
637G29.2Very low30.8Very low65 Ų65138.9 Ų138.967%0.6779%0.794SS**  trans180118.7169.800000115.4
638Y34.1Very low31.1Very low218 Ų218139.1 Ų139.186%0.85580%0.8SS**  trans-26.9150.3162.5-55.7-93.8000115.8
639L31.5Very low30.9Very low153 Ų153135.4 Ų135.480%0.80180%0.796SS**  -169.3160.156.5-133136.5000112.4
640I38.1Very low30.9Very low136 Ų136132.8 Ų132.870%0.69779%0.79SS**  trans-121.4124168.1-63.3172.6000109.3
641P32.9Very low31Very low122 Ų122135.5 Ų135.579%0.79279%0.791SS**  trans-73.1125.1163.5-14.630.6000110.6
642L33.1Very low30.8Very low148 Ų148134 Ų13478%0.77579%0.786SS**  trans-102.1-172.7174.5-87.9173000111.3
643T31.3Very low30.8Very low128 Ų128135 Ų13579%0.78579%0.785SS**  trans87.7143.8169.881.90000115.1
644Q27.5Very low30.6Very low184 Ų184134.9 Ų134.986%0.8678%0.784SS**  cis-123.5152.95.5-70.217811.300112.9
645C27.3Very low30.1Very low122 Ų122130.7 Ų130.782%0.82478%0.78SS**  trans-109.6155168.2-58.60000109.8
646S28.7Very low29.7Very low120 Ų120130 Ų13084%0.83978%0.778SS**  trans177.8153.5139.3-840000112.7
647S33.3Very low29.6Very low89 Ų89134 Ų13462%0.62278%0.78SS**  cis-176.4164.5-23.159.90000112.1
648L31.1Very low29.6Very low173 Ų173138.1 Ų138.191%0.90678%0.782SS**  trans71.2145.3165.5-86.298000118.6
649G25.1Very low29.4Very low70 Ų70133.8 Ų133.872%0.72277%0.774SS**  cis-152.1170.13.300000114.3
650A30.4Very low29.3Very low86 Ų86132 Ų13271%0.71177%0.773SS**  trans-91.6-179.8-179.100000111.3
651E30.3Very low28.7Very low166 Ų166129 Ų12978%0.77678%0.777SS**  -170.1177.354.7-105.6-50.1146.900113.7
652S23.1Very low28.4Very low110 Ų110127.6 Ų127.677%0.76978%0.775SS**  trans96.7134.1148.7-153.60000121.2
653I29Very low28.1Very low139 Ų139129 Ų12971%0.71378%0.783SS**  trans-108.4171.2-157.6-40.3171.6000110.9
654L27Very low27.9Very low157 Ų157127.9 Ų127.982%0.82278%0.78SS**  trans89.2124.8163.7-49.8172.6000115.3
655S24.8Very low28.7Very low113 Ų113123.7 Ų123.779%0.7977%0.769SS**  cis84.5138.439.6-1560000112.7
656S26.8Very low28.7Very low106 Ų106123.9 Ų123.974%0.74176%0.762SS**  cis-159.2-171.72768.30000114.3
657K28Very low28.7Very low208 Ų208126 Ų12690%0.90476%0.758SS**  trans109.8154.3153.2-153.1163.8-176175.60119.1
658E28.7Very low28.4Very low152 Ų152132.8 Ų132.871%0.7177%0.77SS**  trans-139130.9-156175.1-15511900110.8
659N30.3Very low28.3Very low128 Ų128130.8 Ų130.868%0.68476%0.759SS**  175.7153.6120.7-107.4-71.4000117.4
660S29Very low28.4Very low114 Ų114137.3 Ų137.380%0.79776%0.763SS**  trans42.8135.8149.666.70000122.4
661G25.6Very low28.3Very low75 Ų75138.4 Ų138.477%0.77377%0.766SS**  trans141.760.7142.500000120.8
662A27.1Very low28.3Very low92 Ų92136.1 Ų136.176%0.7677%0.768SS**  trans53.8156.7146.500000123
663L26.5Very low29.2Very low177 Ų177136.7 Ų136.793%0.92777%0.769SS**  trans68.2130.6158.7-71.6158.1000120.3
664S25.6Very low29.5Very low104 Ų104138 Ų13873%0.72778%0.775SS**  trans-108.7167.5170.8174.20000108
665P45.9Very low29.9Very low96 Ų96135.4 Ų135.462%0.62378%0.777SS**  cis-123.8179.5-5.924.6-2.7000113.4
666N27Very low30.2Very low126 Ų126133.4 Ų133.467%0.67477%0.774SS**  171.7154.8109.7-95.5-61.3000118.2
667H28.3Very low30.3Very low166 Ų166135.5 Ų135.577%0.76978%0.782SS**  trans40.8123151.5-77.5-74.2000122.7
668R27.6Very low30.8Very low231 Ų231132.4 Ų132.487%0.87277%0.774SS**  -175.5151.1122.9-99.8168-172.5-143.83108.6
669I27.8Very low30.9Very low130 Ų130131.1 Ų131.167%0.66778%0.779SS**  cis-149.4157.1-0.5-146.9156.7000111.9
670Y28Very low30.9Very low208 Ų208130.7 Ų130.782%0.81678%0.781SS**  trans23136155-91.2-112.9000123.5
671S27.1Very low31Very low109 Ų109132 Ų13276%0.76278%0.784SS**  trans-87.5156.8147.3-59.70000110.7
672S31.4Very low31.1Very low117 Ų117133.5 Ų133.582%0.81878%0.783SS**  trans-78.2152.9-179.1-420000114.3
673P42.4Very low31.2Very low122 Ų122135.1 Ų135.179%0.79279%0.788SS**  trans-89.3-180151.236.8-31.4000111.4
674I35.6Very low31.4Very low166 Ų166134.8 Ų134.885%0.85178%0.782SS**  trans-142.7142.4-170-153.4167.3000111.7
675A34Very low31.9Very low103 Ų103136.2 Ų136.285%0.85178%0.781SS**  trans46.6140.7166.700000120.1
676G30.8Very low31Very low72 Ų72138.8 Ų138.874%0.74280%0.795SS**  cis153.4162-2.500000111.1
677V29.6Very low31.2Very low149 Ų149137.1 Ų137.190%0.90380%0.799SS**  trans169.1160.5153.6150.40000108.8
678I37.8Very low31.3Very low144 Ų144135.8 Ų135.874%0.73880%0.802SS**  trans-118.6150.1-154.3-61.5156.2000112.1V680I678-V680 HydrophobicContact CG2-CG2 4.43Å
679P31.7Very low31.2Very low125 Ų125130.8 Ų130.881%0.81279%0.793SS**  trans-106.7147.8147.336-29.2000112.2
680V30.3Very low31.3Very low119 Ų119132.7 Ų132.772%0.72180%0.796SS**  trans-100.5146.8-169.71730000112.2I678I678-V680 HydrophobicContact CG2-CG2 4.43Å
681T30.2Very low31.7Very low142 Ų142128.5 Ų128.587%0.87179%0.794SS**  trans-127.2156.8151.352.90000109.9
682S29.2Very low31.7Very low106 Ų106127.2 Ų127.274%0.74179%0.785SS**  trans-113.9164.5-152.8-49.10000114.7
683S29.2Very low31.7Very low125 Ų125131.9 Ų131.987%0.87479%0.791SS**  trans-143.5134.4157.3-68.60000110.9
684E30.1Very low31.1Very low171 Ų171133.9 Ų133.980%0.79979%0.79SS**  trans-90.4166.8169-68.2-175.4118.300109.7
685L35.4Very low31Very low134 Ų134133 Ų13370%0.70279%0.792SS**  cis-165146.5-21.5-108.2171.8000107.2
686T28.3Very low30.9Very low149 Ų149133.8 Ų133.891%0.91479%0.786SS**  trans-172.2146.1139.38.80000109.9
687A30.4Very low31.1Very low92 Ų92136.4 Ų136.476%0.7679%0.79SS**  trans-154149.3-172.900000113.3
688V29.7Very low31.2Very low137 Ų137137.9 Ų137.983%0.8379%0.792SS**  trans-147.3105.4165-162.80000105.1
689N26.4Very low30.8Very low127 Ų127139.5 Ų139.568%0.67979%0.794SS**  cis110.5155.847.6-168.918000109.7
690F29.3Very low30.9Very low169 Ų169141.6 Ų141.674%0.74180%0.797SS**  trans80.6148.8-175.4-47.8-65.7000115.7
691P36.5Very low30.9Very low120 Ų120143.3 Ų143.378%0.77980%0.799SS**  -129.3175-78.825.4-4.3000115.6
692S26.7Very low30.8Very low82 Ų82143.1 Ų143.157%0.57380%0.797SS**  trans-76.3148.1-173.1179.90000115.5H694S692-H694 PolarHBondContact OG-CD2 3.49Å
693F32Very low30.7Very low215 Ų215143.3 Ų143.394%0.94380%0.799SS**  trans-132.2139.3147.2-81.8-78.2000110.2
694H30.1Very low31.6Very low165 Ų165143 Ų14376%0.76479%0.794SS**  trans-96.6144.3-173.2-72.1-121.3000113S692S692-H694 PolarHBondContact OG-CD2 3.49Å
695V33Very low31.6Very low146 Ų146142 Ų14289%0.88580%0.799SS**  trans-140.2137151.9-173.70000109.1
696T31.4Very low31.4Very low120 Ų120140.5 Ų140.574%0.73680%0.8SS**  trans-93.6151.5179.239.90000112.8
697P36.7Very low31.5Very low127 Ų127139.5 Ų139.583%0.82579%0.794SS**  trans-84.9139.1176.433.4-33.3000112
698L31.3Very low31.5Very low180 Ų180139.7 Ų139.794%0.94280%0.795SS**  trans-113.8143.5168.4-84.4173000111.9
699K29.8Very low31.5Very low178 Ų178137.6 Ų137.677%0.77479%0.792SS**  trans-108.3128.8-172.3173.6-170176.4-1730109.5
700L33Very low31.8Very low169 Ų169138.5 Ų138.589%0.88580%0.802SS**  trans-128.3129.3170.9-85.9168.2000111.3
701M29.7Very low32.2Very low156 Ų156136.3 Ų136.377%0.76881%0.805SS**  trans-106.4139.4167.9-67.6167.153.400108.2
702V29.5Very low32Very low137 Ų137137.1 Ų137.183%0.8381%0.808SS**  trans-144135.3164.5-173.90000110.7
703S26.4Very low32.1Very low110 Ų110136.6 Ų136.677%0.76982%0.815SS**  trans-148.6172.8166.1-60.50000106.8
704P48.2Very low31.9Very low118 Ų118133.8 Ų133.877%0.76681%0.81SS**  -130.9167.2-50.838-24.4000112.2
705T30.1Very low32Very low150 Ų150131.3 Ų131.392%0.9281%0.811SS**  trans-153.6152.5162.4-33.80000112.9
706S30.4Very low32.4Very low103 Ų103130.7 Ų130.772%0.7281%0.81SS**  trans-87.9-175.4175.3-1420000110.7
707V31.3Very low32.2Very low129 Ų129129.3 Ų129.378%0.78281%0.81SS**  cis-162.2160.834.5-136.60000113.2
708A29.7Very low31.9Very low95 Ų95131.9 Ų131.979%0.78582%0.816SS**  trans68.1161.5146.100000120.6
709A30.8Very low31.7Very low93 Ų93128 Ų12877%0.76981%0.811SS**  cis-170.3146.7-33.600000110.1
710V30.8Very low31.5Very low146 Ų146125 Ų12589%0.88581%0.812SS**  trans-143.8142.3171.2178.10000108.5
711P39.5Very low31.3Very low124 Ų124121.1 Ų121.181%0.80580%0.799SS**  trans-102.5175.3-151.539.7-37.8000117
712V30.9Very low31.3Very low137 Ų137122.3 Ų122.383%0.8380%0.802SS**  trans-109.8147.2169.6175.20000109.7
713G28.9Very low31.6Very low71 Ų71121.2 Ų121.273%0.73280%0.798SS**  trans-144.8148.7171.800000111.3
714N28.2Very low31.9Very low156 Ų156122.2 Ų122.283%0.83480%0.799SS**  trans-100.5162.1-163.3-71.2-10.7000115.1
715S31.9Very low31.3Very low112 Ų112122.6 Ų122.678%0.78380%0.801SS**  trans-68.8172.9-178.7-370000114.7
716P40.9Very low31.5Very low134 Ų134123 Ų12387%0.8780%0.796SS**  -134.6179.48839.5-28.7000114
717A28.9Very low31.8Very low90 Ų90127 Ų12774%0.74480%0.804SS**  trans-123.1152.9-173.200000113.8
718L29.2Very low32.1Very low181 Ų181127.9 Ų127.995%0.94880%0.804SS**  trans-135.5164.1158-76.8179000109
719A27.3Very low32.6Very low100 Ų100128.9 Ų128.983%0.82680%0.803SS**  trans-125.2-178.5-141.600000116.6
720S26.6Very low33.1Very low113 Ų113128.5 Ų128.579%0.7979%0.794SS**  trans90.5133.6169.3-162.20000116.9
721S27.6Very low34.2Very low88 Ų88125.5 Ų125.562%0.61578%0.78SS**  cis-166166.6-21.847.80000112
722H30.7Very low34.8Very low182 Ų182122.8 Ų122.884%0.84377%0.768SS**  trans73.4153.6167.3-71-73.6000120.2
723P36.3Very low36.1Very low113 Ų113121.9 Ų121.973%0.73476%0.757SS**  trans-130166.6-14841.7-25.7000116.9
724V32.2Very low37.7Very low132 Ų132122.3 Ų122.380%0.875%0.745SS**  trans-136.1137.1161.3-178.70000109.1
725P36.1Very low39Very low125 Ų125119 Ų11981%0.81273%0.728SS**  trans-78.9137.8-176.7-11.228.1000113.3
726I32.5Very low40.5Very low159 Ų159119.7 Ų119.782%0.81572%0.717SS**  trans-97.4132165.8-62.6176.6000108.6
727Q37.3Very low41.6Very low187 Ų187116.5 Ų116.587%0.87470%0.695SS**  trans-90.9113.2-173.8-148.3174.318.400111
728N36.9Very low43.2Very low147 Ų147115 Ų11579%0.78667%0.674SS**PPolyproline II helixtrans-74134.4175.5-73.7-37.1000111.3
729P42.3Very low45Very low117 Ų117111.4 Ų111.476%0.7665%0.652SS**PPolyproline II helixtrans-71.8141.1171.929.9-33.6000111.3
730S40.8Very low46.2Very low85 Ų85113.3 Ų113.359%0.59464%0.644SS**PPolyproline II helixtrans-72.9135.5-171.3179.40000114.1A732 I733S730-A732 PolarHBondContact O-N 2.99Å; S730-I733 PolarHBondContact O-N 3.47Å
731S53.7Low48.2Very low83 Ų83113.7 Ų113.758%0.5864%0.637SS**Hα-helixtrans-57.9-16.4-178.3-45.40000115.2I733 V734 N735S731-I733 VanDerWaalsContact C-N 3.27Å; S731-I733 PolarHBondContact O-N 3.23Å; S731-V734 PolarHBondContact O-N 2.88Å; S731-N735 PolarHBondContact O-N 3.36Å
732A52.6Low49.3Very low67 Ų67112.5 Ų112.555%0.55464%0.638SS**Hα-helixtrans-58.1-38175.300000112.5S730 F736S730-A732 PolarHBondContact O-N 2.99Å; A732-F736 WeakPolarHBondContact O-CB 3.4Å; A732-F736 PolarHBondContact O-N 3.14Å
733I57.8Low50.4Low118 Ų118109.7 Ų109.761%0.60563%0.628SS**Hα-helixtrans-69.1-38.9178.4-65.6172.5000110.7S730 S731 F736 T737S730-I733 PolarHBondContact O-N 3.47Å; S731-I733 VanDerWaalsContact C-N 3.27Å; S731-I733 PolarHBondContact O-N 3.23Å; I733-F736 PolarHBondContact O-N 2.93Å; I733-T737 PolarHBondContact O-N 2.96Å; I733-T737 PolarHBondContact O-OG1 2.66Å
734V62.6Low51.2Low80 Ų80107.9 Ų107.949%0.48561%0.612SS.*Hα-helixtrans-66.4-45.6178.5-177.10000110.8S731 F736 T737 L738S731-V734 PolarHBondContact O-N 2.88Å; V734-F736 VanDerWaalsContact C-N 3.31Å; V734-F736 PolarHBondContact O-N 3.4Å; V734-T737 PolarHBondContact O-N 3.45Å; V734-T737 PolarHBondContact O-OG1 3.14Å; V734-L738 HydrophobicContact CG1-CD1 3.95Å; V734-L738 HydrophobicContact CG1-CG 4.39Å; V734-L738 WeakPolarHBondContact O-CB 3.39Å; V734-L738 VanDerWaalsContact O-CG 3.28Å; V734-L738 WeakPolarHBondContact O-CG 3.28Å; V734-L738 PolarHBondContact O-N 3.37Å
735N55.7Low51.5Low87 Ų87106.8 Ų106.847%0.46561%0.61SS.*Hα-helixtrans-63.6-38175.9-76-7.6000112S731 L738 Q739S731-N735 PolarHBondContact O-N 3.36Å; N735-L738 PolarHBondContact O-N 2.87Å; N735-Q739 WeakPolarHBondContact O-CG 3.44Å; N735-Q739 PolarHBondContact O-N 3.35Å
736F62.2Low51.7Low126 Ų126106.9 Ų106.955%0.55361%0.611SS**Hα-helixtrans-64.1-43.3175.6-170.2-101.1000112.2A732 I733 V734 H740A732-F736 WeakPolarHBondContact O-CB 3.4Å; A732-F736 PolarHBondContact O-N 3.14Å; I733-F736 PolarHBondContact O-N 2.93Å; V734-F736 VanDerWaalsContact C-N 3.31Å; V734-F736 PolarHBondContact O-N 3.4Å; F736-H740 AromaticContact CD1-CD2 3.82Å; F736-H740 AromaticContact CE1-CD2 3.46Å; F736-H740 VanDerWaalsContact CE1-CD2 3.46Å; F736-H740 WeakPolarHBondContact CE1-CD2 3.33Å; F736-H740 AromaticContact CE1-NE2 3.65Å; F736-H740 AromaticContact CE2-CD2 3.9Å; F736-H740 AromaticContact CE2-NE2 3.68Å; F736-H740 AromaticContact CZ-CD2 3.5Å; F736-H740 AromaticContact CZ-NE2 3.23Å; F736-H740 WeakPolarHBondContact CZ-NE2 3.48Å; F736-H740 PolarHBondContact O-CD2 2.96Å; F736-H740 PolarHBondContact O-N 2.95Å
737T64.8Low51.8Low67 Ų67104.3 Ų104.341%0.41161%0.607SS.*Hα-helixtrans-68-37.1175.351.20000112.6I733 V734 H740 L741I733-T737 PolarHBondContact O-N 2.96Å; I733-T737 PolarHBondContact O-OG1 2.66Å; V734-T737 PolarHBondContact O-N 3.45Å; V734-T737 PolarHBondContact O-OG1 3.14Å; T737-H740 CarbonylContact O-C 3.59Å; T737-H740 PolarHBondContact O-N 2.94Å; T737-L741 WeakPolarHBondContact O-CB 3.37Å; T737-L741 WeakPolarHBondContact O-CD1 3.37Å; T737-L741 VanDerWaalsContact O-CG 3.25Å; T737-L741 WeakPolarHBondContact O-CG 3.33Å; T737-L741 PolarHBondContact O-N 3.38Å
738L62.7Low51.6Low57 Ų57102 Ų10230%0.29861%0.605SS.*Hα-helixtrans-67.8-34.9177.1-69.2173.9000112.9V734 N735 L741 G742 L743 I744V734-L738 HydrophobicContact CG1-CD1 3.95Å; V734-L738 HydrophobicContact CG1-CG 4.39Å; V734-L738 WeakPolarHBondContact O-CB 3.39Å; V734-L738 VanDerWaalsContact O-CG 3.28Å; V734-L738 WeakPolarHBondContact O-CG 3.28Å; V734-L738 PolarHBondContact O-N 3.37Å; N735-L738 PolarHBondContact O-N 2.87Å; L738-L741 PolarHBondContact O-N 2.85Å; L738-G742 PolarHBondContact O-N 3.28Å; L738-L743 HydrophobicContact CD2-CB 4.43Å; L738-L743 HydrophobicContact CD2-CD1 3.69Å; L738-L743 PolarHBondContact O-N 3.14Å; L738-I744 HydrophobicContact CB-CD1 3.88Å; L738-I744 HydrophobicContact CB-CG1 4.01Å
739Q66.1Low51.8Low106 Ų106103.8 Ų103.850%0.49561%0.608SS.*Hα-helixtrans-64.7-45.6169.1-73.6176.1-4.700111.4N735 L741 G742 I744N735-Q739 WeakPolarHBondContact O-CG 3.44Å; N735-Q739 PolarHBondContact O-N 3.35Å; Q739-L741 VanDerWaalsContact C-N 3.26Å; Q739-L741 PolarHBondContact O-N 3Å; Q739-G742 PolarHBondContact O-N 3.09Å; Q739-I744 HydrophobicContact CB-CG1 4.49Å; Q739-I744 HydrophobicContact CG-CD1 3.65Å; Q739-I744 HydrophobicContact CG-CG1 3.74Å
740H53.9Low51Low140 Ų140106.8 Ų106.865%0.64862%0.615SS**Hα-helixtrans-69.8-18.3177.3-86.6-70.4000114.7F736 T737 G742F736-H740 AromaticContact CD1-CD2 3.82Å; F736-H740 AromaticContact CE1-CD2 3.46Å; F736-H740 VanDerWaalsContact CE1-CD2 3.46Å; F736-H740 WeakPolarHBondContact CE1-CD2 3.33Å; F736-H740 AromaticContact CE1-NE2 3.65Å; F736-H740 AromaticContact CE2-CD2 3.9Å; F736-H740 AromaticContact CE2-NE2 3.68Å; F736-H740 AromaticContact CZ-CD2 3.5Å; F736-H740 AromaticContact CZ-NE2 3.23Å; F736-H740 WeakPolarHBondContact CZ-NE2 3.48Å; F736-H740 PolarHBondContact O-CD2 2.96Å; F736-H740 PolarHBondContact O-N 2.95Å; T737-H740 CarbonylContact O-C 3.59Å; T737-H740 PolarHBondContact O-N 2.94Å; H740-G742 VanDerWaalsContact C-N 3.34Å
741L67.8Low50.3Low122 Ų122108 Ų10864%0.63962%0.623SS**THydrogen-bonded Turntrans-87.5-0.1170.1-73.2163.9000113.1T737 L738 Q739 L743T737-L741 WeakPolarHBondContact O-CB 3.37Å; T737-L741 WeakPolarHBondContact O-CD1 3.37Å; T737-L741 VanDerWaalsContact O-CG 3.25Å; T737-L741 WeakPolarHBondContact O-CG 3.33Å; T737-L741 PolarHBondContact O-N 3.38Å; L738-L741 PolarHBondContact O-N 2.85Å; Q739-L741 VanDerWaalsContact C-N 3.26Å; Q739-L741 PolarHBondContact O-N 3Å; L741-L743 HydrophobicContact CB-CD1 4.08Å; L741-L743 HydrophobicContact CB-CG 4.19Å; L741-L743 PolarHBondContact O-N 3.07Å
742G50.3Low48.9Very low62 Ų62108.8 Ų108.864%0.63964%0.635SS**THydrogen-bonded Turntrans71.913.7179.400000114.7L738 Q739 H740 I744L738-G742 PolarHBondContact O-N 3.28Å; Q739-G742 PolarHBondContact O-N 3.09Å; H740-G742 VanDerWaalsContact C-N 3.34Å; G742-I744 VanDerWaalsContact C-N 3.34Å
743L53.8Low47.7Very low123 Ų123111 Ų11164%0.64465%0.646SS**SBendtrans-84.9-7.2-176.2-65.9171.1000113.4L738 L741L738-L743 HydrophobicContact CD2-CB 4.43Å; L738-L743 HydrophobicContact CD2-CD1 3.69Å; L738-L743 PolarHBondContact O-N 3.14Å; L741-L743 HydrophobicContact CB-CD1 4.08Å; L741-L743 HydrophobicContact CB-CG 4.19Å; L741-L743 PolarHBondContact O-N 3.07Å
744I52.5Low47.2Very low75 Ų75111 Ų11139%0.38565%0.653SS.*SBendtrans-146.7126.2173.834.2174.3000110.1L738 Q739 G742L738-I744 HydrophobicContact CB-CD1 3.88Å; L738-I744 HydrophobicContact CB-CG1 4.01Å; Q739-I744 HydrophobicContact CB-CG1 4.49Å; Q739-I744 HydrophobicContact CG-CD1 3.65Å; Q739-I744 HydrophobicContact CG-CG1 3.74Å; G742-I744 VanDerWaalsContact C-N 3.34Å
745S38.5Very low45.5Very low110 Ų110110.7 Ų110.777%0.76967%0.667SS**  trans-82142.8-174.8-57.80000113.1
746P41.8Very low45.2Very low127 Ų127113.1 Ų113.183%0.82569%0.687SS**  trans-86.6113177.732.7-32.4000112.1
747S34.2Very low43.4Very low104 Ų104110.7 Ų110.773%0.72770%0.698SS**  trans-117.9117.6178.2590000113.1
748V32.2Very low41.6Very low138 Ų138115.3 Ų115.384%0.83672%0.719SS**  trans52.8116.6148.7-172.30000118.4
749Q41.5Very low40Very low185 Ų185118.9 Ų118.986%0.86474%0.743SS**  trans-77.7150.5160.6-66.5-174.8-1.200111.2
750M26.4Very low39Very low181 Ų181119 Ų11989%0.89275%0.753SS**  trans-154.9132.6153-151.956.1175.900115
751S26.1Very low37.6Very low109 Ų109119.4 Ų119.476%0.76276%0.764SS**  trans51.7124.3154.1-160.80000122.9
752A24.2Very low35.5Very low101 Ų101118.6 Ų118.684%0.83577%0.769SS**  -156.4133.1127.500000112
753S26.3Very low35.3Very low112 Ų112120.8 Ų120.878%0.78377%0.772SS**  trans-171.2171.1175.3-152.10000107.1
754P47.4Very low33.8Very low118 Ų118125.6 Ų125.677%0.76678%0.782SS**  cis-139.71631.241.8-24000118
755G27.6Very low32.7Very low75 Ų75128.8 Ų128.877%0.77380%0.798SS**  trans60.9-166.7145.400000120.3
756P48.1Very low32Very low137 Ų137132.1 Ų132.189%0.8980%0.802SS**  cis-131174.7-15.440.7-25.4000114.8
757G24.9Very low31.3Very low76 Ų76130.8 Ų130.878%0.78480%0.801SS**  trans-174.360.3-179.400000118.7
758I28.3Very low31Very low163 Ų163132.2 Ų132.284%0.83681%0.805SS**  trans-2.6136.8155.1-80.8166.1000117.9
759V28.5Very low30.7Very low133 Ų133132.7 Ų132.781%0.80680%0.803SS**  cis-167.3-164-5.6830000109.4
760P45.3Very low30Very low109 Ų109130.5 Ų130.571%0.70880%0.802SS**  trans-120.4-173.5-156.343.1-24.2000116.2
761V24.4Very low29.8Very low147 Ų147127.9 Ų127.989%0.89180%0.796SS**  trans-171.2161.2142.6144.60000111.1
762S23.8Very low31Very low106 Ų106127.8 Ų127.874%0.74179%0.793SS**  trans-139.3-167.1-171-147.20000109.7
763P44.6Very low31Very low108 Ų108130.4 Ų130.470%0.70179%0.788SS**  cis-142.8-155-3.143.4-21.8000115.6
764R24.1Very low31.1Very low223 Ų223131.5 Ų131.584%0.84279%0.785SS**  trans87.2116.8158.9-127160.4-171.21713.1116.4
765I28.6Very low30.2Very low143 Ų143130.5 Ų130.573%0.73379%0.787SS**  63.7120.862.2-53.5161.5000109.4
766E24.4Very low30.1Very low180 Ų180129.8 Ų129.884%0.84178%0.779SS**  -166.416952.6-153.2156.6-130.400112.7
767A27.5Very low29.3Very low98 Ų98129.2 Ų129.281%0.8177%0.774SS**  trans-176.2149.7152.800000113.9
768V27.7Very low29.6Very low135 Ų135133.6 Ų133.682%0.81877%0.774SS**  trans-133.5163.2179.5170.40000111.3
769N24.1Very low29.7Very low147 Ų147134 Ų13479%0.78677%0.772SS**  trans-51.3158.4177.1-56.5-51.3000115.6
770V26.9Very low29.7Very low140 Ų140131.4 Ų131.485%0.84877%0.772SS**  169.5166122.1154.30000111.6
771V23.7Very low29Very low126 Ų126137.7 Ų137.776%0.76478%0.782SS**  trans-150.1150.3-170.3155.80000106.7
772P50.4Low29.3Very low106 Ų106134.6 Ų134.669%0.68877%0.771SS**  cis-125.3-131.325.526.81000112.9
773E25.4Very low29.6Very low156 Ų156135.6 Ų135.673%0.72977%0.773SS**  cis-165.51634.6-148.4-177.368.800115.6
774N27.2Very low28.9Very low135 Ų135136.6 Ų136.672%0.72277%0.772SS**  trans70.1149.4145.3-107.6-33.9000125.2
775A28.5Very low29.1Very low98 Ų98135.8 Ų135.881%0.8177%0.771SS**  trans26.2152.7159.500000123.1
776G26Very low29Very low60 Ų60136 Ų13662%0.61977%0.774SS**  cis164.1-174.6000000112.1
777T30.6Very low29.2Very low125 Ų125131.9 Ų131.977%0.76776%0.764SS**  trans65.6121.6166.7260000118.8
778Q31.9Very low30.2Very low168 Ų168132.4 Ų132.479%0.78576%0.76SS**  74.5153.199.4-74.8-17719.300116.3
779Q31Very low30.4Very low171 Ų171132.1 Ų132.180%0.79976%0.758SS**  cis-173.8133.8-17.8170.4179.211.100111.8
780G26.8Very low31.7Very low78 Ų78131.2 Ų131.280%0.80476%0.76SS**  trans69.9-175.7162.200000118.6
781R31.3Very low31.7Very low242 Ų242128.2 Ų128.291%0.91376%0.757SS**  cis-167.9113.6-33.6179.2-176.5177.2-157.1-1.1113.6
782A30.8Very low32.1Very low82 Ų82131.5 Ų131.568%0.67877%0.765SS**  trans64.9178.1148.800000122.8
783T29.6Very low31Very low127 Ų127132.6 Ų132.678%0.77977%0.774SS**  trans81.6153.2171.670.50000118.8
784N29.7Very low31.2Very low128 Ų128134 Ų13468%0.68478%0.781SS**  cis-170.7172.8-46.3-102.86.5000110.6
785Y28.8Very low32.2Very low206 Ų206132 Ų13281%0.80878%0.775SS**  trans73.5154.7170.4-63-79.8000116.9
786D26.1Very low32.1Very low148 Ų148135.1 Ų135.179%0.79178%0.779SS**  cis-146.3-171.711.3-140.2-34.1000115.1
787S28.8Very low32.3Very low93 Ų93135.3 Ų135.365%0.6578%0.78SS**  trans-114-161.1-171.6-146.50000112.6
788P48.8Very low32.1Very low110 Ų110139 Ų13971%0.71479%0.789SS**  cis-141.1154.5-12.940.5-20.9000119.3
789V31.6Very low31.9Very low129 Ų129136 Ų13678%0.78279%0.787SS**  36.2152.3120.5-169.50000121.9
790P51.4Low31.8Very low127 Ų127134.4 Ų134.483%0.82579%0.788SS**  cis-135.3-170.5-21.339.5-20.2000117
791G26.5Very low31.8Very low77 Ų77134.8 Ų134.879%0.79478%0.783SS**  trans-168.6151.2157.800000114.5
792Q32.9Very low31.7Very low196 Ų196128.9 Ų128.992%0.91677%0.774SS**  trans-127.4155.3-172.3-81.3-172.3-2500115.4
793S26.7Very low31.5Very low128 Ų128131.7 Ų131.790%0.89578%0.783SS**  -178.1174.3120.337.60000113.3
794Q30.5Very low31.3Very low187 Ų187128.9 Ų128.987%0.87478%0.779SS**  trans-127.2-165.2-161.4-126.8-167.77.900110.6
795P47.6Very low31.3Very low92 Ų92127.4 Ų127.460%0.59778%0.784SS**  cis-139.5-175.1-11.836.9-15.3000117.1
796N27.8Very low31.3Very low164 Ų164126.7 Ų126.788%0.87779%0.789SS**  trans61.4154.5156.1-70.1-9.1000121.5
797G28.1Very low31.4Very low63 Ų63128.1 Ų128.165%0.64979%0.79SS**  cis157.4136.6-13.900000115.6
798Q28.2Very low32Very low204 Ų204129.4 Ų129.495%0.95380%0.797SS**  trans60.1169.1165.2-70.7175.8-33.300118.3
799S27.6Very low31.2Very low105 Ų105130.1 Ų130.173%0.73480%0.799SS**  cis-170-177.3-38.3-1700000109.6
800V28.5Very low31.6Very low136 Ų136129.6 Ų129.682%0.82480%0.798SS**  trans83.4172167.9-171.50000116.4
801A27.3Very low30.6Very low86 Ų86130 Ų13071%0.71180%0.798SS**  trans-164.9-152.7-148.600000110.7
802V27.4Very low30.9Very low118 Ų118132.2 Ų132.272%0.71580%0.796SS**  trans97.4117.9159.4-176.60000118.6
803T28.2Very low31.5Very low142 Ų142127.9 Ų127.987%0.87179%0.785SS**  trans61159.2160.853.60000120.8
804G25.6Very low31.6Very low67 Ų67131.6 Ų131.669%0.69179%0.785SS**  cis153.2156.4-10.800000114.7
805A28.8Very low31.4Very low97 Ų97126.3 Ų126.380%0.80278%0.781SS**  trans66.9160.6170.300000117.1
806Q28.8Very low30.5Very low192 Ų192126.9 Ų126.990%0.89779%0.787SS**  cis-158.7178.6-17-118.4172.76.400111.8
807Q27.5Very low30.7Very low177 Ų177127 Ų12783%0.82778%0.783SS**  trans-72.3-179.5167.1-105-179.1-8.100112.4
808P41.7Very low30.7Very low121 Ų121130.9 Ų130.979%0.78679%0.787SS**  cis-146.4-154.529.843.7-20.4000117.3
809V32.2Very low30.7Very low125 Ų125128.1 Ų128.176%0.75878%0.784SS**  trans-121.3146.2-170.8174.70000112.3
810P40.7Very low30.8Very low118 Ų118126.9 Ų126.977%0.76678%0.78SS**  trans-141.5137133.218.14.3000113.9
811V29.1Very low30.9Very low134 Ų134128.7 Ų128.781%0.81278%0.78SS**  98.115070.2170.50000114.7
812T33.2Very low31.1Very low124 Ų124128.3 Ų128.376%0.76177%0.772SS**  trans-88-162.6-167.854.10000113
813P46.1Very low31.4Very low105 Ų105130.1 Ų130.168%0.68277%0.77SS**  cis-154.3-165.319.139.6-12.2000120.7
814K27.8Very low31.8Very low206 Ų206133.7 Ų133.790%0.89677%0.774SS**  trans86.2153.5164.6-59.4-175.8-179.3-175.70118.4
815G27.1Very low32.3Very low76 Ų76139.3 Ų139.378%0.78478%0.775SS**  cis-164.5-158.57.400000116.7
816S29.8Very low32.5Very low105 Ų105139.7 Ų139.773%0.73477%0.767SS**  trans-79.7-172.5-168.752.70000115.5
817Q30.2Very low33.5Very low167 Ų167136.6 Ų136.678%0.7876%0.764SS**  cis-165.1-174.522.6-156.6145.2-39.800115.3
818L29.1Very low33.6Very low143 Ų143132.3 Ų132.375%0.74977%0.767SS**  trans-52.1160.8178.4-72.7141000119.5
819V28.5Very low32.9Very low147 Ų147130.1 Ų130.189%0.89177%0.766SS**  trans-140.1150.9144.4-179.10000108.9
820A28.4Very low33.7Very low79 Ų79129.4 Ų129.465%0.65376%0.764SS**  trans-152.3163.6-179.500000113.4
821E31Very low33.5Very low173 Ų173129.2 Ų129.281%0.80876%0.761SS**  trans66156.3159.5-64.5-141.285.100119.7
822S33Very low33.8Very low79 Ų79131.7 Ų131.755%0.55276%0.761SS**  cis-168.6173.6-22.4-95.70000111.9
823F32.3Very low34.4Very low155 Ų155131.4 Ų131.468%0.6876%0.761SS**  trans73.4120.9158.4-70.3-67.7000123.6
824F38Very low33.7Very low218 Ų218133 Ų13396%0.95677%0.77SS**  -147.8168.8108.7-104.7-77000109.3
825R34.3Very low33.7Very low184 Ų184128.5 Ų128.569%0.69476%0.764SS**  trans-149.3128.2-145.1-147-162.2-167.4-85.65.9118
826T34.2Very low34Very low106 Ų106129.2 Ų129.265%0.6576%0.757SS**  trans62.2173.4150.233.20000119.8
827P50.1Low33.9Very low127 Ų127133.6 Ų133.683%0.82576%0.763SS**  cis-131.9169-12.826.6-4.8000116.5
828G29.5Very low33.8Very low86 Ų86130.4 Ų130.489%0.88776%0.758SS**  trans-179.5130.116100000113.3
829G26.7Very low34Very low75 Ų75131.1 Ų131.177%0.77376%0.759SS**  trans-157.8-155.3179.700000110.9
830P49.5Very low34Very low111 Ų111130.3 Ų130.372%0.72175%0.75SS**  cis-149.9-1758.845.8-26.6000117.7
831T35.8Very low34.3Very low114 Ų114136.8 Ų136.870%0.69976%0.764SS**  trans68.3154.5154.258.70000120.2
832K35.7Very low34.2Very low186 Ų186135.9 Ų135.981%0.80977%0.765SS**  cis-172.6180-8.7-109.5171.9-175.4177.40108.7
833P46Very low34.1Very low118 Ų118135.5 Ų135.577%0.76677%0.773SS**  cis-134.2164.2-2234.8-15.5000117.1
834T30.2Very low34.1Very low139 Ų139131.8 Ų131.885%0.85377%0.77SS**  trans-52146.7170.6-46.70000120.9
835S28.9Very low33.9Very low111 Ų111127.9 Ų127.978%0.77676%0.76SS**  trans178.1153.9132.856.50000112.7
836S32.5Very low33.9Very low90 Ų90127.5 Ų127.563%0.62976%0.763SS**  cis-172.6156.5-28.553.10000112
837F27.7Very low33.9Very low198 Ų198129 Ų12987%0.86877%0.772SS**  trans66.9162170.5-66.9-92.9000119.9
838C29.3Very low33Very low99 Ų99128.7 Ų128.767%0.66977%0.773SS**  cis-172.8166.3-49.1-151.60000111.9
839M32Very low33.4Very low158 Ų158133.2 Ų133.278%0.77878%0.776SS**  trans75.3146.2164.7-61.1-8178.400119.7
840D29.9Very low33.6Very low131 Ų131132.9 Ų132.970%0.70177%0.772SS**  trans-101.6169.2-165.1-45.1-99.6000113.4
841F32.9Very low32.8Very low214 Ų214134.5 Ų134.594%0.93978%0.781SS**  -164.8157112.4-116.3-80.8000112.6
842D30.6Very low32.6Very low155 Ų155136.8 Ų136.883%0.82979%0.787SS**  trans-85.7160.6-177.9-176.321.3000113
843G29.8Very low32.5Very low70 Ų70137.2 Ų137.272%0.72279%0.79SS**  trans16554.6179.700000118.8
844A32.6Very low31.7Very low77 Ų77138.2 Ų138.264%0.63679%0.793SS**  trans-10136.8168.300000121.1
845N32.8Very low32.4Very low136 Ų136136.3 Ų136.373%0.72778%0.784SS**  174.1129.6107.6-95.5-73.3000116.2
846K35.7Very low32.6Very low177 Ų177139.7 Ų139.777%0.7779%0.787SS**  trans48.495.6143-61.4-179.4-175.5177.90121.9
847T33.1Very low32.7Very low136 Ų136147.1 Ų147.183%0.83480%0.801SS**  43.3113.3126.757.10000121.4
848S32.4Very low33Very low121 Ų121147.3 Ų147.385%0.84680%0.802SS**  -161.9152.1119.450.80000111.1
849L37Very low33.3Very low182 Ų182150.7 Ų150.795%0.95381%0.812SS**  trans-84.7133.8170.6-109.977.8000109.6
850G30.1Very low33.2Very low67 Ų67151.4 Ų151.469%0.69181%0.814SS**  trans-164.781.4178.200000112.6L852G850-L852 PolarHBondContact O-N 3.01Å; G850-L852 VanDerWaalsContact O-N 3.16Å
851T33.7Very low33.5Very low146 Ų146150.4 Ų150.490%0.89681%0.812SS**  trans-67.3109.7178-51.30000110.5
852L31.2Very low33.3Very low161 Ų161146.1 Ų146.184%0.84381%0.808SS**  trans-112.7147.7176.4-102.5169.8000112.2G850G850-L852 PolarHBondContact O-N 3.01Å; G850-L852 VanDerWaalsContact O-N 3.16Å
853F33.4Very low33.7Very low195 Ų195144.5 Ų144.586%0.85581%0.805SS**  trans-68.7149.8-178.1-87.9-122.3000112.8
854V30.3Very low34.3Very low139 Ų139150 Ų15084%0.84281%0.811SS**  trans-119.7135.8157.2178.90000108
855P44.1Very low34.6Very low100 Ų100152.9 Ų152.965%0.64982%0.816SS**  trans-112-175.3-162.643.6-37.6000115
856Q33.2Very low35Very low182 Ų182151.4 Ų151.485%0.8581%0.812SS**  trans70.5121.7160.5-64.4-178.4-11.800119.3
857R34Very low35.4Very low246 Ų246154.8 Ų154.893%0.92883%0.83SS**  -132.8136.5110.7-63.5-171.5-168152.36.1109.7
858K34.7Very low35.5Very low201 Ų201155.8 Ų155.887%0.87483%0.83SS**  trans-111.1160.1152-86.5-169.4171.9-170.10107
859L35.8Very low35.6Very low170 Ų170157.6 Ų157.689%0.8983%0.829SS**  trans-133.2155.5161.1-134.7104.6000108.6
860E30.6Very low35.5Very low173 Ų173156.2 Ų156.281%0.80882%0.822SS**  trans-102136.2-166.6-66.2-164.8128.500111.5
861V34.8Very low35.9Very low110 Ų110161.5 Ų161.567%0.66783%0.83SS**  79.9124.4100.2176.60000115.3T863V861-T863 HydrophobicContact CG1-CG2 4.28Å
862S30.1Very low36Very low124 Ų124162.4 Ų162.487%0.86783%0.826SS**  trans-144.3146140.7-62.20000107.8
863T38.4Very low36.3Very low122 Ų122162.5 Ų162.575%0.74883%0.825SS**  trans-147.692.2-170.947.60000112V861V861-T863 HydrophobicContact CG1-CG2 4.28Å
864E42.3Very low36.5Very low185 Ų185160.2 Ų160.286%0.86482%0.822SS**  trans-148141.5172.7-64.9177.2-163.700105.8
865D39.9Very low37Very low137 Ų137161.8 Ų161.873%0.73382%0.821SS**  cis-156.8170.6-4.6-137.3-3.5000111.8
866V40.4Very low36.4Very low106 Ų106167 Ų16764%0.64284%0.835SS**  trans28.7127.2146175.20000118.7
867H42.8Very low36.7Very low248 Ų248165.6 Ų165.6100%1.14883%0.834SS**  cis-148.5038.5-136.6-31000114.7

Retrieved 867 of 867 residues in 2903.7 ms (Link to these results)